#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4y s GLN 32 N -3.70 4.22 -0.27 0.00 -0.21 -1.26 -5.00 119.66 113.44 3d4y s GLN 32 Ca 0.67 2.07 -0.29 0.00 0.02 0.00 0.00 55.36 57.83 3d4y s GLN 32 Cb -0.19 -2.92 0.01 0.00 1.00 0.00 0.00 33.01 30.92 3d4y s GLN 32 CO 0.32 -0.25 1.07 0.34 -2.12 0.00 0.00 175.29 174.65 3d4y s ASP 33 N -0.74 7.01 0.00 5.90 -1.08 -1.26 -4.87 116.67 121.64 3d4y s ASP 33 Ca 0.52 1.24 0.22 0.00 -0.52 0.00 0.00 52.55 54.02 3d4y s ASP 33 Cb -0.36 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.17 3d4y s ASP 33 CO 0.47 -0.77 1.49 1.33 0.52 0.00 0.00 175.17 178.21 3d4y n VAL 34 N 5.58 0.27 -0.08 1.11 0.24 -1.26 -4.41 118.33 119.78 3d4y n VAL 34 Ca 0.12 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 3d4y n VAL 34 Cb 0.46 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 3d4y n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3d4y n VAL 35 N 0.79 0.89 0.94 3.34 0.31 -1.26 -4.85 118.33 118.49 3d4y n VAL 35 Ca 0.17 -0.28 0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3d4y n VAL 35 Cb 0.45 -1.41 -0.08 0.00 -0.91 0.00 0.00 33.84 31.89 3d4y n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d4y n GLN 36 N -3.37 0.68 -3.89 5.55 6.02 -1.26 -4.20 117.38 116.91 3d4y n GLN 36 Ca -0.30 -0.30 -0.35 0.00 -0.01 0.00 0.00 57.00 56.04 3d4y n GLN 36 Cb 0.76 -1.44 -0.14 0.00 1.02 0.00 0.00 30.24 30.44 3d4y n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3d4y s ASP 37 N -2.73 4.43 -0.28 1.08 1.01 -1.26 -4.90 116.67 114.02 3d4y s ASP 37 Ca 0.11 -0.43 -0.28 0.00 0.71 0.00 0.00 52.55 52.65 3d4y s ASP 37 Cb 0.16 -1.76 0.01 0.00 1.01 0.00 0.00 42.92 42.34 3d4y s ASP 37 CO 0.73 -0.04 1.02 -0.69 0.21 0.00 0.00 175.17 176.41 3d4y s VAL 38 N 1.48 4.61 0.50 -1.27 1.01 -1.26 -4.82 120.40 120.64 3d4y s VAL 38 Ca 0.05 1.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 3d4y s VAL 38 Cb -0.15 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 3d4y s VAL 38 CO -0.02 -0.34 1.29 -2.65 0.00 0.00 0.00 175.10 173.38 3d4y n PRO 39 N 6.58 1.75 -3.39 2.72 -0.02 -1.26 -4.97 135.00 136.40 3d4y n PRO 39 Ca 0.11 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 3d4y n PRO 39 Cb 0.47 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 3d4y n PRO 39 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3d4y s ASN 40 N -0.77 6.15 0.18 2.55 2.47 -1.26 -5.05 114.94 119.21 3d4y s ASN 40 Ca 0.67 -0.92 0.09 0.00 0.42 0.00 0.00 52.86 53.12 3d4y s ASN 40 Cb -0.45 -2.19 -0.04 0.00 -1.45 0.00 0.00 41.25 37.12 3d4y s ASN 40 CO 0.53 -0.54 -0.19 0.68 -3.72 0.00 0.00 177.10 173.86 3d4y s VAL 41 N 1.84 1.92 0.16 -5.21 -7.23 -1.26 -5.05 120.40 105.56 3d4y s VAL 41 Ca 0.07 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 3d4y s VAL 41 Cb -0.19 -1.93 0.04 0.00 0.56 0.00 0.00 36.38 34.85 3d4y s VAL 41 CO 0.10 -0.33 1.64 0.44 -0.31 0.00 0.00 175.10 176.64 3d4y h ASP 42 N 3.08 0.84 -3.28 4.85 3.32 -1.73 -3.42 116.42 120.09 3d4y h ASP 42 Ca -0.42 -0.26 -0.54 0.00 0.02 0.00 0.00 57.03 55.83 3d4y h ASP 42 Cb 1.21 -0.22 -0.35 0.00 0.22 0.00 0.00 39.33 40.19 3d4y h ASP 42 CO 0.53 0.89 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.42 3d4y s VAL 43 N -5.19 1.22 -0.20 -1.35 1.01 -0.50 -5.00 120.40 110.40 3d4y s VAL 43 Ca -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3d4y s VAL 43 Cb 0.12 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.38 3d4y s VAL 43 CO 0.81 0.39 -0.15 -1.58 0.00 0.00 0.00 175.10 174.57 3d4y s GLN 44 N 1.16 2.49 0.39 2.72 -0.44 -1.26 -1.33 119.66 123.40 3d4y s GLN 44 Ca -0.04 -0.91 0.07 0.00 -2.50 0.00 0.00 55.36 51.98 3d4y s GLN 44 Cb -0.14 -2.54 0.80 0.00 -1.64 0.00 0.00 33.01 29.49 3d4y s GLN 44 CO -0.03 -0.35 2.00 0.52 0.50 0.00 0.00 175.29 177.94 3d4y h MET 45 N 7.93 0.48 -0.29 1.67 2.86 -1.47 0.38 114.93 126.50 3d4y h MET 45 Ca -0.35 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 3d4y h MET 45 Cb 1.11 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3d4y h MET 45 CO 0.55 0.40 0.06 1.25 1.06 0.00 0.00 176.91 180.22 3d4y h LEU 46 N 0.49 0.44 -0.86 1.22 5.85 -1.93 -0.33 115.31 120.19 3d4y h LEU 46 Ca 0.12 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 3d4y h LEU 46 Cb 0.09 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3d4y h LEU 46 CO -0.01 0.57 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.56 3d4y h GLU 47 N 0.30 0.83 -0.49 1.25 4.22 -1.65 -2.10 114.58 116.94 3d4y h GLU 47 Ca 0.09 -0.24 -0.13 0.00 0.08 0.00 0.00 59.36 59.17 3d4y h GLU 47 Cb 0.31 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3d4y h GLU 47 CO 0.00 0.85 -0.18 1.25 -2.18 0.00 0.00 179.01 178.75 3d4y h LEU 48 N 0.77 1.01 -1.51 1.64 5.85 -0.84 -2.41 115.31 119.81 3d4y h LEU 48 Ca 0.15 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3d4y h LEU 48 Cb 0.49 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3d4y h LEU 48 CO 0.02 1.17 0.23 1.88 -0.34 0.00 0.00 178.44 181.40 3d4y h TYR 49 N 0.85 0.54 -0.14 1.25 -1.99 -0.70 -0.40 116.97 116.37 3d4y h TYR 49 Ca 0.12 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 3d4y h TYR 49 Cb 0.76 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 3d4y h TYR 49 CO 0.05 0.37 -0.33 0.22 -0.00 0.00 0.00 178.16 178.47 3d4y h ASP 50 N 0.56 0.29 0.31 3.88 3.58 -0.89 -3.26 116.42 120.88 3d4y h ASP 50 Ca 0.15 -0.10 -0.30 0.00 0.42 0.00 0.00 57.03 57.19 3d4y h ASP 50 Cb 0.01 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 40.93 3d4y h ASP 50 CO -0.03 0.61 -1.95 0.54 -2.88 0.00 0.00 179.24 175.54 3d4y n ARG 51 N -4.09 0.65 -1.83 0.28 1.74 -0.92 -4.99 116.66 107.49 3d4y n ARG 51 Ca -0.01 0.16 -0.34 0.00 -0.77 0.00 0.00 57.85 56.88 3d4y n ARG 51 Cb 0.43 -1.68 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 3d4y n ARG 51 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3d4y s MET 52 N -2.62 2.78 0.01 5.56 -1.94 -0.21 -5.00 119.30 117.89 3d4y s MET 52 Ca -0.07 1.64 -0.17 0.00 -1.71 0.00 0.00 55.69 55.39 3d4y s MET 52 Cb 0.07 -1.92 -0.35 0.00 2.01 0.00 0.00 34.83 34.64 3d4y s MET 52 CO 0.83 -1.31 0.96 1.03 -0.01 0.00 0.00 175.02 176.51 3d4y h SER 53 N 0.39 0.78 0.00 3.03 0.87 -1.90 -3.49 113.55 113.23 3d4y h SER 53 Ca -0.49 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.15 3d4y h SER 53 Cb 1.28 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3d4y h SER 53 CO 0.54 1.68 0.00 0.49 -0.53 0.00 0.00 176.83 179.00 3d4y n PHE 54 N -3.77 0.00 -2.05 2.24 3.72 -1.26 -5.00 117.46 111.33 3d4y n PHE 54 Ca -0.17 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.81 3d4y n PHE 54 Cb 1.06 -1.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 3d4y n PHE 54 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3d4y s LYS 55 N -1.24 4.29 -0.93 -1.08 -0.14 -1.26 -4.94 119.74 114.44 3d4y s LYS 55 Ca 0.00 2.24 -0.16 0.00 -1.36 0.00 0.00 55.97 56.70 3d4y s LYS 55 Cb 0.00 -3.14 0.18 0.00 -1.68 0.00 0.00 37.83 33.19 3d4y s LYS 55 CO 0.00 -0.41 1.02 0.34 -0.76 0.00 0.00 175.35 175.53 3d4y s ASP 56 N 0.50 6.79 -0.10 2.83 2.15 -1.26 -5.02 116.67 122.56 3d4y s ASP 56 Ca 0.60 -2.53 -0.02 0.00 0.43 0.00 0.00 52.55 51.03 3d4y s ASP 56 Cb -0.41 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3d4y s ASP 56 CO 0.40 -0.77 0.01 -0.63 -0.17 0.00 0.00 175.17 174.01 3d4y s ILE 57 N 1.23 4.34 -0.26 4.11 1.01 -1.26 -5.05 121.20 125.32 3d4y s ILE 57 Ca 0.28 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 3d4y s ILE 57 Cb -0.07 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3d4y s ILE 57 CO -0.08 0.59 1.70 -0.62 0.00 0.00 0.00 174.94 176.53 3d4y s ASP 58 N -0.70 6.18 0.00 3.58 -1.08 -1.26 -4.65 116.67 118.74 3d4y s ASP 58 Ca 0.11 1.52 0.24 0.00 -0.52 0.00 0.00 52.55 53.90 3d4y s ASP 58 Cb -0.12 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 39.85 3d4y s ASP 58 CO 0.02 -1.44 1.72 0.61 0.52 0.00 0.00 175.17 176.60 3d4y n GLY 59 N 4.98 -0.14 0.00 2.66 0.00 0.84 -5.02 105.19 108.52 3d4y n GLY 59 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3d4y n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d4y n GLY 60 N 1.08 0.85 0.34 -0.02 0.00 -1.26 -3.65 105.19 102.54 3d4y n GLY 60 Ca 0.18 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 3d4y n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3d4y h VAL 61 N 0.00 1.21 -2.14 1.61 -1.51 -1.92 -2.91 116.25 110.59 3d4y h VAL 61 Ca 0.00 -0.50 -0.67 0.00 -1.23 0.00 0.00 66.70 64.30 3d4y h VAL 61 Cb 0.00 0.22 -0.16 0.00 -2.13 0.00 0.00 31.29 29.23 3d4y h VAL 61 CO 0.00 0.23 0.96 0.86 -1.23 0.00 0.00 177.57 178.39 3d4y s TRP 62 N -5.69 2.98 0.30 5.19 -0.00 -1.20 -4.51 118.94 116.00 3d4y s TRP 62 Ca -0.11 -1.24 0.04 0.00 -0.00 0.00 0.00 56.10 54.80 3d4y s TRP 62 Cb 0.17 -4.37 0.69 0.00 -0.00 0.00 0.00 33.47 29.95 3d4y s TRP 62 CO 0.79 -1.59 1.79 0.87 -0.00 0.00 0.00 176.95 178.81 3d4y h LYS 63 N 9.07 0.79 -0.50 5.86 1.79 -1.79 -1.06 116.57 130.73 3d4y h LYS 63 Ca 0.15 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3d4y h LYS 63 Cb 1.02 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3d4y h LYS 63 CO 1.18 0.52 0.00 1.04 -1.08 0.00 0.00 179.45 181.11 3d4y n GLN 64 N -4.74 3.67 0.00 3.15 6.02 -1.26 -0.11 117.38 124.11 3d4y n GLN 64 Ca 0.22 -2.83 0.00 0.00 -0.01 0.00 0.00 57.00 54.38 3d4y n GLN 64 Cb 0.52 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3d4y n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d4y n GLY 65 N 0.55 3.33 3.54 1.08 0.00 -0.40 -4.66 105.19 108.63 3d4y n GLY 65 Ca 0.23 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3d4y n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3d4y s TRP 66 N 3.53 0.77 -0.61 1.61 -2.14 -1.26 -4.09 118.94 116.76 3d4y s TRP 66 Ca 0.00 -1.08 -0.28 0.00 2.66 0.00 0.00 56.10 57.40 3d4y s TRP 66 Cb 0.00 0.08 0.02 0.00 -3.10 0.00 0.00 33.47 30.47 3d4y s TRP 66 CO 0.00 -1.12 1.34 -0.80 -2.66 0.00 0.00 176.95 173.71 3d4y s ASN 67 N -3.15 6.19 0.18 -2.66 0.01 -1.24 -4.66 114.94 109.61 3d4y s ASN 67 Ca 0.27 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 52.20 3d4y s ASN 67 Cb -0.01 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.03 3d4y s ASN 67 CO 0.16 -1.70 1.08 -0.63 -1.51 0.00 0.00 177.10 174.50 3d4y s ILE 68 N 5.79 3.90 0.05 0.60 1.01 -1.26 -5.03 121.20 126.26 3d4y s ILE 68 Ca 0.47 1.66 0.08 0.00 0.00 0.00 0.00 60.65 62.85 3d4y s ILE 68 Cb -0.09 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3d4y s ILE 68 CO 0.23 0.29 -0.20 -0.54 0.00 0.00 0.00 174.94 174.73 3d4y s LYS 69 N -0.43 1.98 0.12 2.79 1.02 -1.26 -4.97 119.74 118.98 3d4y s LYS 69 Ca 0.49 -1.03 0.04 0.00 0.02 0.00 0.00 55.97 55.48 3d4y s LYS 69 Cb -0.29 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3d4y s LYS 69 CO 0.35 0.53 -0.09 1.52 -0.92 0.00 0.00 175.35 176.73 3d4y s TYR 70 N -0.93 1.11 -0.42 3.18 -0.85 -1.26 -4.99 117.35 113.19 3d4y s TYR 70 Ca 0.14 -0.77 -0.22 0.00 -0.52 0.00 0.00 57.07 55.71 3d4y s TYR 70 Cb -0.10 -0.59 0.02 0.00 0.38 0.00 0.00 41.96 41.66 3d4y s TYR 70 CO 0.05 -0.00 0.71 0.34 -1.52 0.00 0.00 175.55 175.13 3d4y s ASP 71 N -2.93 6.40 0.60 -0.18 -1.08 -1.26 -4.96 116.67 113.26 3d4y s ASP 71 Ca 0.12 -0.08 0.29 0.00 -0.52 0.00 0.00 52.55 52.36 3d4y s ASP 71 Cb 0.02 -2.36 1.49 0.00 -1.46 0.00 0.00 42.92 40.62 3d4y s ASP 71 CO -0.01 -0.79 1.91 1.55 0.52 0.00 0.00 175.17 178.34 3d4y h PRO 72 N 8.80 0.00 -0.04 4.34 0.13 -1.99 -1.72 132.00 141.51 3d4y h PRO 72 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3d4y h PRO 72 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3d4y h PRO 72 CO 0.91 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.96 3d4y n LEU 73 N -3.65 1.20 -0.37 1.56 4.77 -1.26 -3.95 117.00 115.30 3d4y n LEU 73 Ca 0.07 -0.43 0.04 0.00 -0.03 0.00 0.00 56.01 55.66 3d4y n LEU 73 Cb 0.62 -0.02 0.20 0.00 -2.33 0.00 0.00 43.42 41.89 3d4y n LEU 73 CO 0.26 0.21 1.26 0.50 -1.33 0.00 0.00 177.39 178.29 3d4y h LYS 74 N 1.80 1.09 -5.88 3.23 3.64 -1.72 -3.41 116.57 115.32 3d4y h LYS 74 Ca 0.00 -0.07 -0.67 0.00 -1.27 0.00 0.00 60.65 58.64 3d4y h LYS 74 Cb 0.38 -0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 31.84 3d4y h LYS 74 CO 0.00 0.72 -0.57 0.71 -2.27 0.00 0.00 179.45 178.04 3d4y s TYR 75 N -6.01 3.30 0.09 1.91 2.02 -1.25 -4.93 117.35 112.48 3d4y s TYR 75 Ca -0.12 0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.85 3d4y s TYR 75 Cb 0.21 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3d4y s TYR 75 CO 0.81 0.56 0.16 0.27 -1.57 0.00 0.00 175.55 175.78 3d4y n ASN 76 N 2.00 -0.46 -0.21 2.29 0.23 0.17 -4.90 115.26 114.38 3d4y n ASN 76 Ca -0.18 -1.41 0.11 0.00 -0.53 0.00 0.00 54.58 52.57 3d4y n ASN 76 Cb 0.54 0.79 0.41 0.00 -2.08 0.00 0.00 39.78 39.44 3d4y n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d4y h ALA 77 N 1.83 1.88 0.00 -2.53 0.00 -1.95 -1.64 119.26 116.84 3d4y h ALA 77 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d4y h ALA 77 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3d4y h ALA 77 CO 0.10 -0.07 -0.81 0.72 0.00 0.00 0.00 179.25 179.18 3d4y n HIS 78 N -4.51 0.03 -3.49 0.00 8.25 -1.26 -4.65 115.22 109.59 3d4y n HIS 78 Ca 0.15 0.01 -0.29 0.00 -0.26 0.00 0.00 57.72 57.33 3d4y n HIS 78 Cb 0.42 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 3d4y n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3d4y s HIS 79 N -3.03 0.99 0.13 4.41 5.04 -0.62 -5.13 115.29 117.08 3d4y s HIS 79 Ca 0.09 -1.87 0.01 0.00 -1.54 0.00 0.00 55.06 51.74 3d4y s HIS 79 Cb 0.16 -1.07 -0.04 0.00 0.04 0.00 0.00 32.58 31.68 3d4y s HIS 79 CO 0.79 -0.82 0.28 0.15 -2.34 0.00 0.00 174.74 172.81 3d4y s LYS 80 N 0.77 3.46 -0.25 2.88 1.02 -1.22 -0.65 119.74 125.75 3d4y s LYS 80 Ca 0.21 -0.48 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 3d4y s LYS 80 Cb -0.18 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 3d4y s LYS 80 CO -0.03 0.53 0.80 -1.17 -0.92 0.00 0.00 175.35 174.56 3d4y s LEU 81 N -3.00 4.08 -0.31 3.17 2.96 0.06 -4.89 118.68 120.75 3d4y s LEU 81 Ca 0.36 0.95 -0.15 0.00 -0.22 0.00 0.00 54.13 55.07 3d4y s LEU 81 Cb -0.12 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 3d4y s LEU 81 CO 0.28 -0.52 0.35 -0.54 -1.32 0.00 0.00 176.35 174.61 3d4y s LYS 82 N 2.83 3.80 -0.15 1.98 -0.14 -0.15 -1.14 119.74 126.76 3d4y s LYS 82 Ca 0.34 -0.21 -0.00 0.00 -1.36 0.00 0.00 55.97 54.73 3d4y s LYS 82 Cb -0.15 -3.73 -0.00 0.00 -1.68 0.00 0.00 37.83 32.27 3d4y s LYS 82 CO 0.08 -0.39 -0.14 0.08 -0.76 0.00 0.00 175.35 174.22 3d4y s VAL 83 N 2.02 2.77 -0.27 3.17 1.01 -0.17 -0.07 120.40 128.87 3d4y s VAL 83 Ca 0.13 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3d4y s VAL 83 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3d4y s VAL 83 CO 0.11 0.51 0.01 -0.36 0.00 0.00 0.00 175.10 175.37 3d4y s PHE 84 N 0.75 3.10 -0.26 5.22 0.08 0.29 -1.51 117.98 125.66 3d4y s PHE 84 Ca -0.06 -1.21 -0.14 0.00 0.12 0.00 0.00 56.93 55.63 3d4y s PHE 84 Cb -0.15 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 3d4y s PHE 84 CO 0.01 -0.64 0.35 0.08 -0.10 0.00 0.00 175.22 174.92 3d4y s VAL 85 N 1.43 5.20 -0.42 -0.44 1.01 0.37 -0.26 120.40 127.29 3d4y s VAL 85 Ca 0.02 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.55 3d4y s VAL 85 Cb -0.17 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.65 3d4y s VAL 85 CO -0.01 0.19 0.17 -0.69 0.00 0.00 0.00 175.10 174.76 3d4y s VAL 86 N 1.85 2.68 0.33 2.92 1.01 0.29 -0.36 120.40 129.13 3d4y s VAL 86 Ca 0.14 -2.60 -0.29 0.00 0.00 0.00 0.00 61.98 59.24 3d4y s VAL 86 Cb -0.15 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 3d4y s VAL 86 CO 0.09 -0.69 1.28 -2.84 0.00 0.00 0.00 175.10 172.94 3d4y s PRO 87 N 0.55 4.36 0.26 2.72 0.02 -1.26 -0.71 135.00 140.94 3d4y s PRO 87 Ca 0.13 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 3d4y s PRO 87 Cb -0.22 -3.05 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 3d4y s PRO 87 CO -0.05 -0.16 0.47 -3.38 -0.33 0.00 0.00 177.00 173.55 3d4y s HIS 88 N -1.16 0.44 -0.19 6.54 -3.43 -0.65 -1.61 115.29 115.22 3d4y s HIS 88 Ca 0.49 -0.79 -0.04 0.00 -0.80 0.00 0.00 55.06 53.92 3d4y s HIS 88 Cb -0.38 0.16 0.10 0.00 -1.43 0.00 0.00 32.58 31.02 3d4y s HIS 88 CO 0.51 -1.00 0.31 0.45 -2.00 0.00 0.00 174.74 173.00 3d4y s SER 89 N -3.04 0.48 -0.37 7.38 0.15 -1.26 -3.82 113.70 113.22 3d4y s SER 89 Ca 0.23 0.35 -0.27 0.00 0.70 0.00 0.00 55.95 56.96 3d4y s SER 89 Cb -0.00 0.84 0.02 0.00 -1.71 0.00 0.00 66.02 65.16 3d4y s SER 89 CO 0.10 -0.28 1.00 -2.28 1.20 0.00 0.00 173.24 172.98 3d4y s HIS 90 N 2.46 3.06 -0.35 3.44 2.46 -0.36 -4.75 115.29 121.25 3d4y s HIS 90 Ca 0.06 0.88 -0.01 0.00 0.47 0.00 0.00 55.06 56.45 3d4y s HIS 90 Cb -0.14 -3.77 0.09 0.00 -0.13 0.00 0.00 32.58 28.62 3d4y s HIS 90 CO -0.12 -0.88 0.10 -0.80 -2.47 0.00 0.00 174.74 170.57 3d4y s ASN 91 N 1.90 5.01 -0.04 9.88 0.01 -1.26 -0.67 114.94 129.77 3d4y s ASN 91 Ca 0.41 -1.78 -0.30 0.00 -0.71 0.00 0.00 52.86 50.48 3d4y s ASN 91 Cb -0.11 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 3d4y s ASN 91 CO 0.20 -0.41 1.21 -1.81 -1.51 0.00 0.00 177.10 174.78 3d4y s ASP 92 N 1.43 7.05 -1.31 -1.22 1.01 -1.26 -4.90 116.67 117.47 3d4y s ASP 92 Ca 0.04 1.84 -0.14 0.00 0.71 0.00 0.00 52.55 54.99 3d4y s ASP 92 Cb -0.21 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 3d4y s ASP 92 CO -0.04 -0.58 2.29 -2.65 0.21 0.00 0.00 175.17 174.40 3d4y n PRO 93 N 5.10 2.67 0.00 8.23 -0.02 -1.26 -4.64 135.00 145.08 3d4y n PRO 93 Ca 0.11 -2.30 0.00 0.00 -2.02 0.00 0.00 63.50 59.29 3d4y n PRO 93 Cb 0.46 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 3d4y n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d4y n GLY 94 N 4.07 1.96 0.00 -1.23 0.00 -1.26 -4.49 105.19 104.25 3d4y n GLY 94 Ca 0.56 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3d4y n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3d4y n TRP 95 N 2.42 0.00 0.06 1.61 -0.00 -1.26 -4.68 117.44 115.60 3d4y n TRP 95 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 3d4y n TRP 95 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 3d4y n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3d4y h ILE 96 N 0.00 0.87 -2.37 5.87 1.08 -1.94 -0.40 117.51 120.61 3d4y h ILE 96 Ca 0.00 -2.41 -0.54 0.00 -0.39 0.00 0.00 64.86 61.52 3d4y h ILE 96 Cb 0.00 2.34 -0.14 0.00 -3.07 0.00 0.00 36.82 35.96 3d4y h ILE 96 CO 0.00 0.49 -0.65 -1.10 -0.69 0.00 0.00 178.15 176.20 3d4y s GLN 97 N -2.85 1.69 0.78 2.37 -0.21 -1.26 -4.81 119.66 115.37 3d4y s GLN 97 Ca -0.00 -1.89 -0.12 0.00 0.02 0.00 0.00 55.36 53.37 3d4y s GLN 97 Cb 0.08 -1.30 0.06 0.00 1.00 0.00 0.00 33.01 32.85 3d4y s GLN 97 CO 0.80 0.01 1.11 0.95 -2.12 0.00 0.00 175.29 176.03 3d4y s THR 98 N -2.92 3.01 0.25 -0.19 -4.23 -1.26 -4.11 115.64 106.18 3d4y s THR 98 Ca 0.32 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 3d4y s THR 98 Cb 0.05 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.99 3d4y s THR 98 CO 0.14 -0.43 1.66 0.15 -0.54 0.00 0.00 174.62 175.61 3d4y h PHE 99 N -1.00 0.14 -0.05 3.99 3.57 -1.90 -0.30 116.94 121.39 3d4y h PHE 99 Ca -0.47 0.05 -0.21 0.00 3.53 0.00 0.00 57.97 60.88 3d4y h PHE 99 Cb 1.27 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 3d4y h PHE 99 CO 0.45 -0.17 -0.83 1.49 -2.23 0.00 0.00 178.31 177.02 3d4y h GLU 100 N 0.19 0.44 0.07 1.11 4.57 -1.96 -0.83 114.58 118.17 3d4y h GLU 100 Ca 0.42 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3d4y h GLU 100 Cb 0.76 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3d4y h GLU 100 CO -0.59 1.06 -0.03 0.93 -1.18 0.00 0.00 179.01 179.20 3d4y h GLU 101 N 0.28 -0.09 -0.98 1.92 5.08 -1.81 -1.02 114.58 117.97 3d4y h GLU 101 Ca -0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3d4y h GLU 101 Cb 1.44 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 3d4y h GLU 101 CO 0.15 0.02 0.63 1.88 -1.00 0.00 0.00 179.01 180.69 3d4y h TYR 102 N -0.18 1.25 -0.19 4.33 0.05 -0.99 -0.69 116.97 120.55 3d4y h TYR 102 Ca -0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 3d4y h TYR 102 Cb 0.15 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 3d4y h TYR 102 CO -0.04 0.80 0.11 -0.92 -1.05 0.00 0.00 178.16 177.05 3d4y h TYR 103 N 1.33 0.26 -0.48 4.88 3.20 -0.77 0.68 116.97 126.06 3d4y h TYR 103 Ca 0.36 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.09 3d4y h TYR 103 Cb -0.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3d4y h TYR 103 CO 0.00 0.23 -0.21 1.96 -1.64 0.00 0.00 178.16 178.51 3d4y h GLN 104 N 0.21 0.99 0.01 1.82 1.08 -0.95 -0.17 115.11 118.09 3d4y h GLN 104 Ca 0.07 -0.42 -0.26 0.00 -1.45 0.00 0.00 58.65 56.59 3d4y h GLN 104 Cb 0.06 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3d4y h GLN 104 CO -0.01 1.09 -1.44 0.45 -0.95 0.00 0.00 178.83 177.97 3d4y h HIS 105 N 0.85 0.03 0.00 2.96 3.86 -1.06 -3.45 115.15 118.34 3d4y h HIS 105 Ca 0.11 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3d4y h HIS 105 Cb 0.78 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 3d4y h HIS 105 CO 0.05 1.03 0.00 -0.25 0.86 0.00 0.00 177.93 179.62 3d4y n ASP 106 N -3.18 0.16 0.09 2.45 8.00 0.09 -4.89 116.55 119.27 3d4y n ASP 106 Ca -0.11 0.16 -0.00 0.00 0.71 0.00 0.00 54.79 55.56 3d4y n ASP 106 Cb 1.01 0.05 0.30 0.00 -0.02 0.00 0.00 41.12 42.46 3d4y n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3d4y h THR 107 N 0.00 1.24 -0.23 -3.53 2.02 -1.15 -0.90 112.91 110.36 3d4y h THR 107 Ca 0.00 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 3d4y h THR 107 Cb 0.00 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3d4y h THR 107 CO 0.00 0.35 -0.11 0.07 0.37 0.00 0.00 175.52 176.19 3d4y h LYS 108 N 0.26 0.38 -0.21 6.66 2.10 -1.25 -0.90 116.57 123.61 3d4y h LYS 108 Ca 0.04 -0.10 -0.10 0.00 -2.00 0.00 0.00 60.65 58.50 3d4y h LYS 108 Cb 0.58 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3d4y h LYS 108 CO 0.04 0.50 -0.25 0.45 -2.00 0.00 0.00 179.45 178.19 3d4y h HIS 109 N 0.36 0.67 -0.00 0.07 3.86 -1.52 -1.64 115.15 116.94 3d4y h HIS 109 Ca 0.07 -0.21 0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3d4y h HIS 109 Cb 0.42 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3d4y h HIS 109 CO 0.01 0.91 -0.14 0.82 0.86 0.00 0.00 177.93 180.39 3d4y h ILE 110 N 0.23 0.65 -0.41 2.45 2.04 -0.81 -0.34 117.51 121.32 3d4y h ILE 110 Ca 0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 3d4y h ILE 110 Cb 0.82 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3d4y h ILE 110 CO 0.06 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.12 3d4y h LEU 111 N -0.24 0.63 -0.39 1.44 3.38 -1.23 0.23 115.31 119.13 3d4y h LEU 111 Ca 0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3d4y h LEU 111 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3d4y h LEU 111 CO -0.14 0.72 0.00 0.28 0.09 0.00 0.00 178.44 179.39 3d4y h SER 112 N 0.63 0.67 0.16 -0.43 0.02 -1.11 -1.72 113.55 111.77 3d4y h SER 112 Ca 0.13 -0.31 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 3d4y h SER 112 Cb 0.42 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3d4y h SER 112 CO 0.02 0.81 -0.49 0.78 -1.14 0.00 0.00 176.83 176.80 3d4y h ASN 113 N 0.51 0.42 -0.23 3.07 2.35 -0.93 -2.50 115.58 118.26 3d4y h ASN 113 Ca 0.11 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3d4y h ASN 113 Cb 0.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3d4y h ASN 113 CO 0.02 0.84 0.14 0.00 -1.65 0.00 0.00 177.43 176.78 3d4y h ALA 114 N 1.17 0.29 -0.24 -0.83 0.00 -0.41 0.18 119.26 119.43 3d4y h ALA 114 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3d4y h ALA 114 Cb 0.98 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3d4y h ALA 114 CO 0.08 -0.20 -0.10 1.25 0.00 0.00 0.00 179.25 180.29 3d4y h LEU 115 N 0.28 -0.33 0.03 0.00 5.85 -1.24 0.57 115.31 120.47 3d4y h LEU 115 Ca 0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3d4y h LEU 115 Cb 0.03 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3d4y h LEU 115 CO -0.02 -0.13 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.85 3d4y h ARG 116 N -0.06 -0.04 -0.31 1.25 2.43 -1.16 -2.01 114.38 114.48 3d4y h ARG 116 Ca 0.13 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 3d4y h ARG 116 Cb 0.25 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3d4y h ARG 116 CO -0.28 0.25 -0.38 0.45 -1.51 0.00 0.00 179.97 178.50 3d4y h HIS 117 N -0.34 0.86 -0.37 2.20 3.86 -0.47 -0.63 115.15 120.27 3d4y h HIS 117 Ca -0.00 -0.25 -0.10 0.00 -1.16 0.00 0.00 60.37 58.85 3d4y h HIS 117 Cb 0.31 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3d4y h HIS 117 CO 0.02 0.99 -0.17 -0.07 0.86 0.00 0.00 177.93 179.56 3d4y h LEU 118 N 0.60 0.79 -0.68 2.43 3.38 -0.94 -0.91 115.31 119.97 3d4y h LEU 118 Ca 0.05 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3d4y h LEU 118 Cb 0.92 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3d4y h LEU 118 CO 0.08 1.02 0.42 -0.74 0.09 0.00 0.00 178.44 179.32 3d4y h HIS 119 N 0.56 0.88 0.00 1.13 2.76 -1.18 -2.71 115.15 116.59 3d4y h HIS 119 Ca 0.08 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3d4y h HIS 119 Cb 0.72 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3d4y h HIS 119 CO 0.06 0.58 0.00 -0.44 -1.30 0.00 0.00 177.93 176.83 3d4y h ASP 120 N 0.92 0.00 -3.16 3.26 3.32 -0.93 -3.41 116.42 116.42 3d4y h ASP 120 Ca 0.25 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.69 3d4y h ASP 120 Cb -0.06 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.10 3d4y h ASP 120 CO -0.05 0.00 -0.77 0.20 -1.72 0.00 0.00 179.24 176.90 3d4y s ASN 121 N -5.37 3.35 0.57 6.45 0.01 -0.36 -5.02 114.94 114.56 3d4y s ASN 121 Ca 0.06 -2.65 0.26 0.00 -0.71 0.00 0.00 52.86 49.81 3d4y s ASN 121 Cb 0.08 -0.88 1.57 0.00 0.41 0.00 0.00 41.25 42.43 3d4y s ASN 121 CO 0.57 -0.25 2.12 -0.65 -1.51 0.00 0.00 177.10 177.38 3d4y h PRO 122 N 6.59 0.00 0.00 -0.60 0.11 -1.80 -0.48 132.00 135.82 3d4y h PRO 122 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3d4y h PRO 122 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3d4y h PRO 122 CO 0.44 0.00 -0.58 0.39 -0.21 0.00 0.00 178.00 178.04 3d4y n GLU 123 N -4.04 0.12 -2.36 1.05 -0.58 -1.26 -4.90 120.64 108.67 3d4y n GLU 123 Ca 0.01 0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.41 3d4y n GLU 123 Cb 0.29 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 3d4y n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3d4y s MET 124 N -3.07 4.01 0.15 3.49 1.75 -0.19 -4.67 119.30 120.76 3d4y s MET 124 Ca 0.09 1.71 0.03 0.00 -1.25 0.00 0.00 55.69 56.27 3d4y s MET 124 Cb 0.16 -2.56 -0.05 0.00 2.84 0.00 0.00 34.83 35.23 3d4y s MET 124 CO 0.71 -0.33 -0.06 0.15 -0.65 0.00 0.00 175.02 174.85 3d4y s LYS 125 N -2.47 1.06 -0.28 4.11 -0.14 -1.26 -4.80 119.74 115.96 3d4y s LYS 125 Ca 0.59 -1.48 -0.24 0.00 -1.36 0.00 0.00 55.97 53.49 3d4y s LYS 125 Cb -0.27 -0.47 0.10 0.00 -1.68 0.00 0.00 37.83 35.51 3d4y s LYS 125 CO 0.34 -0.01 0.87 0.12 -0.76 0.00 0.00 175.35 175.91 3d4y s PHE 126 N -3.47 -0.65 0.14 3.18 5.36 -0.25 -4.32 117.98 117.97 3d4y s PHE 126 Ca 0.19 1.55 0.07 0.00 -0.96 0.00 0.00 56.93 57.78 3d4y s PHE 126 Cb 0.04 0.34 -0.04 0.00 -0.34 0.00 0.00 43.02 43.02 3d4y s PHE 126 CO 0.01 -0.32 -0.06 0.96 -1.46 0.00 0.00 175.22 174.36 3d4y s ILE 127 N 0.45 3.53 -0.04 3.12 -4.36 -0.64 -1.65 121.20 121.62 3d4y s ILE 127 Ca 0.00 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 3d4y s ILE 127 Cb -0.05 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 40.97 3d4y s ILE 127 CO -0.05 0.01 -0.04 0.86 0.24 0.00 0.00 174.94 175.97 3d4y s TRP 128 N -1.46 0.62 -0.23 1.37 -0.11 -0.42 -4.40 118.94 114.31 3d4y s TRP 128 Ca 0.24 -0.15 -0.03 0.00 1.22 0.00 0.00 56.10 57.38 3d4y s TRP 128 Cb -0.10 -0.57 -0.13 0.00 -1.50 0.00 0.00 33.47 31.17 3d4y s TRP 128 CO 0.16 -0.15 -0.24 0.00 -4.62 0.00 0.00 176.95 172.10 3d4y n ALA 129 N 3.92 1.49 -2.96 5.86 0.00 -1.26 -1.06 120.51 126.50 3d4y n ALA 129 Ca -0.25 -0.96 -0.44 0.00 0.00 0.00 0.00 53.44 51.80 3d4y n ALA 129 Cb 0.51 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 3d4y n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d4y s GLU 130 N -2.45 3.08 0.41 0.00 8.01 -1.26 -3.98 118.70 122.52 3d4y s GLU 130 Ca -0.31 -1.04 0.21 0.00 0.01 0.00 0.00 54.97 53.83 3d4y s GLU 130 Cb 0.10 -4.24 0.84 0.00 -4.31 0.00 0.00 34.13 26.52 3d4y s GLU 130 CO 0.48 -1.68 1.81 0.82 0.01 0.00 0.00 175.26 176.70 3d4y h ILE 131 N 5.95 0.79 -0.65 -1.63 1.08 -1.06 -2.62 117.51 119.38 3d4y h ILE 131 Ca -0.29 -1.27 0.13 0.00 -0.39 0.00 0.00 64.86 63.04 3d4y h ILE 131 Cb 1.08 1.79 -0.10 0.00 -3.07 0.00 0.00 36.82 36.52 3d4y h ILE 131 CO 1.14 0.30 0.08 0.77 -0.69 0.00 0.00 178.15 179.75 3d4y h SER 132 N 0.00 -0.13 -0.04 1.72 4.64 -1.36 0.27 113.55 118.65 3d4y h SER 132 Ca -0.00 0.14 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 3d4y h SER 132 Cb 0.77 0.22 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3d4y h SER 132 CO 0.04 -0.07 -0.77 1.88 -0.87 0.00 0.00 176.83 177.05 3d4y h TYR 133 N 0.19 0.94 -0.71 4.77 0.05 -1.73 -1.92 116.97 118.55 3d4y h TYR 133 Ca 0.35 -0.41 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 3d4y h TYR 133 Cb 0.56 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 3d4y h TYR 133 CO -0.31 1.23 0.17 0.35 -1.05 0.00 0.00 178.16 178.55 3d4y h PHE 134 N 0.47 1.20 -0.52 4.88 3.04 -1.07 -0.13 116.94 124.81 3d4y h PHE 134 Ca -0.05 -0.14 -0.12 0.00 3.98 0.00 0.00 57.97 61.64 3d4y h PHE 134 Cb 1.38 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 3d4y h PHE 134 CO 0.08 0.97 -0.15 0.00 -2.02 0.00 0.00 178.31 177.18 3d4y h ALA 135 N 1.09 0.73 -0.89 2.41 0.00 -0.45 0.18 119.26 122.31 3d4y h ALA 135 Ca 0.22 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3d4y h ALA 135 Cb 0.38 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3d4y h ALA 135 CO 0.00 0.68 0.58 -0.09 0.00 0.00 0.00 179.25 180.42 3d4y h ARG 136 N 0.90 0.96 -0.02 0.00 9.65 -0.77 -2.19 114.38 122.92 3d4y h ARG 136 Ca 0.13 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3d4y h ARG 136 Cb 0.73 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3d4y h ARG 136 CO 0.06 0.64 -0.11 0.35 2.80 0.00 0.00 179.97 183.70 3d4y h PHE 137 N 0.99 0.14 -0.39 2.20 3.57 -0.64 -3.32 116.94 119.49 3d4y h PHE 137 Ca 0.39 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3d4y h PHE 137 Cb 0.23 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3d4y h PHE 137 CO -0.00 0.79 0.04 -0.92 -2.23 0.00 0.00 178.31 175.99 3d4y h TYR 138 N -0.55 0.61 0.00 0.41 3.20 -0.41 -0.71 116.97 119.53 3d4y h TYR 138 Ca -0.01 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3d4y h TYR 138 Cb 0.81 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3d4y h TYR 138 CO 0.16 0.56 0.00 0.72 -1.64 0.00 0.00 178.16 177.97 3d4y n HIS 139 N -4.29 0.00 1.34 -3.82 8.25 -0.85 -1.66 115.22 114.20 3d4y n HIS 139 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 3d4y n HIS 139 Cb 0.23 -0.44 0.42 0.00 1.12 0.00 0.00 29.99 31.33 3d4y n HIS 139 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3d4y n ASP 140 N -1.44 1.29 -4.79 0.41 9.92 -0.28 -4.96 116.55 116.71 3d4y n ASP 140 Ca 0.08 -1.18 -0.39 0.00 -0.53 0.00 0.00 54.79 52.76 3d4y n ASP 140 Cb 0.27 0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.77 3d4y n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3d4y s LEU 141 N -2.28 4.52 0.89 0.64 1.43 -0.66 -5.08 118.68 118.14 3d4y s LEU 141 Ca 0.30 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 3d4y s LEU 141 Cb 0.20 -3.02 0.13 0.00 0.03 0.00 0.00 46.19 43.52 3d4y s LEU 141 CO 0.44 0.21 1.13 -0.83 0.23 0.00 0.00 176.35 177.53 3d4y s GLY 142 N -0.88 1.58 0.33 -3.19 0.00 -1.26 -4.79 107.32 99.11 3d4y s GLY 142 Ca 0.32 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.57 3d4y s GLY 142 CO 0.21 0.06 1.99 -2.09 0.00 0.00 0.00 173.10 173.26 3d4y h GLU 143 N -1.42 0.89 -0.55 2.90 4.57 -1.98 -1.33 114.58 117.66 3d4y h GLU 143 Ca -0.50 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 3d4y h GLU 143 Cb 1.32 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 3d4y h GLU 143 CO 0.62 0.60 0.29 -0.97 -1.18 0.00 0.00 179.01 178.38 3d4y h ASN 144 N 0.92 0.70 -0.25 1.04 -0.73 -2.00 -1.18 115.58 114.08 3d4y h ASN 144 Ca 0.25 -0.10 -0.17 0.00 1.87 0.00 0.00 56.30 58.14 3d4y h ASN 144 Cb -0.08 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.33 3d4y h ASN 144 CO -0.05 0.60 -0.48 0.11 -0.37 0.00 0.00 177.43 177.24 3d4y h LYS 145 N 0.74 0.82 -0.42 6.67 1.79 -1.83 -2.12 116.57 122.22 3d4y h LYS 145 Ca 0.19 -0.48 0.06 0.00 -2.18 0.00 0.00 60.65 58.24 3d4y h LYS 145 Cb 0.06 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 3d4y h LYS 145 CO -0.03 1.12 0.11 0.87 -1.08 0.00 0.00 179.45 180.43 3d4y h LYS 146 N 0.65 0.24 -0.50 3.15 1.57 -0.97 0.83 116.57 121.54 3d4y h LYS 146 Ca 0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3d4y h LYS 146 Cb 1.07 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 3d4y h LYS 146 CO 0.11 0.16 0.33 -0.07 -0.57 0.00 0.00 179.45 179.41 3d4y h LEU 147 N 0.25 0.57 -0.85 2.94 3.38 -1.10 -0.30 115.31 120.19 3d4y h LEU 147 Ca 0.20 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3d4y h LEU 147 Cb 0.23 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3d4y h LEU 147 CO -0.24 0.41 0.53 1.56 0.09 0.00 0.00 178.44 180.79 3d4y h GLN 148 N 0.67 0.97 -0.11 1.13 4.20 -1.10 -1.30 115.11 119.56 3d4y h GLN 148 Ca 0.19 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3d4y h GLN 148 Cb -0.07 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.49 3d4y h GLN 148 CO -0.05 0.64 0.02 1.98 -0.67 0.00 0.00 178.83 180.75 3d4y h MET 149 N 1.00 0.18 -0.81 1.46 4.05 -0.44 -2.05 114.93 118.32 3d4y h MET 149 Ca 0.36 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.80 3d4y h MET 149 Cb 0.11 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 3d4y h MET 149 CO -0.15 0.39 0.53 0.87 0.23 0.00 0.00 176.91 178.78 3d4y h LYS 150 N -0.05 0.83 -0.30 0.39 1.57 -0.82 -1.70 116.57 116.49 3d4y h LYS 150 Ca 0.03 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3d4y h LYS 150 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3d4y h LYS 150 CO 0.00 0.55 -0.41 0.66 -0.57 0.00 0.00 179.45 179.68 3d4y h SER 151 N 0.85 0.77 1.07 0.86 4.64 -0.90 0.90 113.55 121.75 3d4y h SER 151 Ca 0.36 -0.36 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3d4y h SER 151 Cb 0.28 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3d4y h SER 151 CO -0.13 1.09 -0.24 0.16 -0.87 0.00 0.00 176.83 176.84 3d4y h ILE 152 N 0.59 0.53 -0.04 0.95 3.07 -0.98 -1.68 117.51 119.95 3d4y h ILE 152 Ca 0.05 -1.23 -0.09 0.00 1.55 0.00 0.00 64.86 65.13 3d4y h ILE 152 Cb 0.96 1.86 0.01 0.00 -0.27 0.00 0.00 36.82 39.37 3d4y h ILE 152 CO 0.09 0.23 -0.34 0.58 -1.05 0.00 0.00 178.15 177.66 3d4y h VAL 153 N 0.00 1.46 -0.28 0.16 2.07 -0.99 -1.69 116.25 116.98 3d4y h VAL 153 Ca -0.00 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 3d4y h VAL 153 Cb 0.84 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 3d4y h VAL 153 CO 0.03 0.52 0.00 0.50 0.02 0.00 0.00 177.57 178.64 3d4y h LYS 154 N -0.25 0.41 -0.04 1.57 3.64 -0.74 -1.83 116.57 119.33 3d4y h LYS 154 Ca -0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3d4y h LYS 154 Cb 1.03 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3d4y h LYS 154 CO 0.07 0.44 0.00 0.27 -2.27 0.00 0.00 179.45 177.96 3d4y n ASN 155 N -4.32 0.59 0.00 4.20 0.23 -0.64 -4.91 115.26 110.41 3d4y n ASN 155 Ca 0.01 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 3d4y n ASN 155 Cb 0.21 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3d4y n ASN 155 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d4y n GLY 156 N 0.97 0.58 0.12 4.83 0.00 -0.69 -4.93 105.19 106.07 3d4y n GLY 156 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3d4y n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d4y h GLN 157 N 1.47 0.34 -4.82 1.61 4.20 -1.56 -3.41 115.11 112.94 3d4y h GLN 157 Ca 0.00 -0.57 -0.66 0.00 0.06 0.00 0.00 58.65 57.48 3d4y h GLN 157 Cb 0.00 0.21 -0.20 0.00 0.30 0.00 0.00 27.48 27.80 3d4y h GLN 157 CO 0.00 1.27 -0.53 -1.17 -0.67 0.00 0.00 178.83 177.73 3d4y s LEU 158 N -7.86 4.14 -0.08 1.46 2.96 -0.84 -1.09 118.68 117.36 3d4y s LEU 158 Ca -0.13 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 3d4y s LEU 158 Cb 0.01 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3d4y s LEU 158 CO 0.85 -0.14 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.80 3d4y s GLU 159 N 1.70 2.87 0.03 1.98 2.12 -0.66 -4.34 118.70 122.40 3d4y s GLU 159 Ca 0.06 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.26 3d4y s GLU 159 Cb -0.17 -2.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 3d4y s GLU 159 CO 0.09 0.27 0.79 -0.06 -0.54 0.00 0.00 175.26 175.81 3d4y s PHE 160 N 0.13 3.71 -0.08 5.30 0.08 -1.26 -1.30 117.98 124.56 3d4y s PHE 160 Ca -0.12 1.49 0.02 0.00 0.12 0.00 0.00 56.93 58.44 3d4y s PHE 160 Cb -0.16 -2.86 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 3d4y s PHE 160 CO 0.07 0.22 -0.14 0.14 -0.10 0.00 0.00 175.22 175.40 3d4y s VAL 161 N 0.16 3.01 0.00 -0.44 -7.23 -0.22 -4.66 120.40 111.01 3d4y s VAL 161 Ca 0.40 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 3d4y s VAL 161 Cb -0.20 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.53 3d4y s VAL 161 CO 0.23 0.57 0.00 0.41 -0.31 0.00 0.00 175.10 176.00 3d4y n THR 162 N 2.76 0.00 -0.62 5.32 -1.04 0.55 -4.31 114.28 116.94 3d4y n THR 162 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3d4y n THR 162 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3d4y n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d4y n GLY 163 N 0.00 0.71 3.79 3.41 0.00 -1.26 -4.68 105.19 107.16 3d4y n GLY 163 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3d4y n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d4y s GLY 164 N -1.95 1.65 0.32 -0.02 0.00 -1.26 -1.73 107.32 104.34 3d4y s GLY 164 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.82 3d4y s GLY 164 CO 0.00 0.43 1.90 -0.25 0.00 0.00 0.00 173.10 175.19 3d4y h TRP 165 N -1.03 0.96 -4.66 1.90 -0.00 -1.57 -1.14 115.95 110.41 3d4y h TRP 165 Ca -0.45 0.03 -0.47 0.00 -0.00 0.00 0.00 58.89 57.99 3d4y h TRP 165 Cb 1.24 -0.31 -0.11 0.00 -0.00 0.00 0.00 29.16 29.97 3d4y h TRP 165 CO 0.55 0.46 -0.42 1.33 -0.00 0.00 0.00 178.44 180.35 3d4y n VAL 166 N -4.52 0.00 -3.42 2.65 0.24 -1.26 -1.18 118.33 110.83 3d4y n VAL 166 Ca 0.15 -2.18 -0.44 0.00 -2.04 0.00 0.00 64.34 59.83 3d4y n VAL 166 Cb 0.28 0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 33.52 3d4y n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3d4y s MET 167 N -3.32 2.76 0.56 7.34 1.75 -1.26 -4.88 119.30 122.25 3d4y s MET 167 Ca 0.27 -1.71 -0.15 0.00 -1.25 0.00 0.00 55.69 52.85 3d4y s MET 167 Cb 0.01 -4.12 -0.06 0.00 2.84 0.00 0.00 34.83 33.50 3d4y s MET 167 CO 0.19 -1.25 1.01 -1.25 -0.65 0.00 0.00 175.02 173.07 3d4y s PRO 168 N 1.50 3.70 0.64 4.11 0.04 -1.26 -2.93 135.00 140.79 3d4y s PRO 168 Ca 0.04 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 3d4y s PRO 168 Cb -0.28 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3d4y s PRO 168 CO 0.02 -0.49 1.28 0.34 0.04 0.00 0.00 177.00 178.19 3d4y s ASP 169 N -3.23 4.69 -0.00 6.66 2.15 0.29 -4.63 116.67 122.60 3d4y s ASP 169 Ca 0.59 2.58 0.07 0.00 0.43 0.00 0.00 52.55 56.22 3d4y s ASP 169 Cb -0.12 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 39.81 3d4y s ASP 169 CO 0.38 -1.94 0.29 -0.62 -0.17 0.00 0.00 175.17 173.10 3d4y n GLU 170 N -1.87 4.34 -0.10 4.34 1.02 -1.26 -4.41 120.64 122.70 3d4y n GLU 170 Ca 0.15 -0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 57.07 3d4y n GLU 170 Cb 0.48 -0.86 -0.12 0.00 -0.02 0.00 0.00 31.44 30.93 3d4y n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d4y h ALA 171 N 0.96 0.26 0.00 0.62 0.00 -1.91 -3.42 119.26 115.77 3d4y h ALA 171 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 3d4y h ALA 171 Cb 0.18 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3d4y h ALA 171 CO 0.00 0.70 -1.92 0.09 0.00 0.00 0.00 179.25 178.12 3d4y n ASN 172 N -4.42 0.08 -4.77 0.00 3.02 -1.26 -4.56 115.26 103.35 3d4y n ASN 172 Ca -0.32 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 53.88 3d4y n ASN 172 Cb 0.68 1.81 -0.03 0.00 -0.61 0.00 0.00 39.78 41.63 3d4y n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3d4y s SER 173 N -4.64 6.86 0.31 6.41 1.04 -1.26 -4.76 113.70 117.67 3d4y s SER 173 Ca -0.07 2.29 -0.25 0.00 0.48 0.00 0.00 55.95 58.40 3d4y s SER 173 Cb 0.13 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 3d4y s SER 173 CO 0.90 -0.43 0.91 -2.28 0.98 0.00 0.00 173.24 173.31 3d4y s HIS 174 N -1.35 3.67 0.48 5.02 2.46 -1.26 -4.22 115.29 120.09 3d4y s HIS 174 Ca 0.52 1.72 0.13 0.00 0.47 0.00 0.00 55.06 57.90 3d4y s HIS 174 Cb -0.30 -2.87 1.14 0.00 -0.13 0.00 0.00 32.58 30.41 3d4y s HIS 174 CO 0.39 0.21 2.12 0.11 -2.47 0.00 0.00 174.74 175.10 3d4y h TRP 175 N 3.14 0.17 -0.50 3.88 5.08 -1.18 0.12 115.95 126.66 3d4y h TRP 175 Ca -0.47 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.48 3d4y h TRP 175 Cb 1.19 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 3d4y h TRP 175 CO 0.62 0.10 0.19 0.00 -1.28 0.00 0.00 178.44 178.08 3d4y h ARG 176 N 0.18 0.71 0.03 0.12 3.08 -1.92 -0.21 114.38 116.37 3d4y h ARG 176 Ca 0.05 -0.10 -0.24 0.00 0.07 0.00 0.00 59.98 59.76 3d4y h ARG 176 Cb -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3d4y h ARG 176 CO -0.01 0.59 -1.18 -0.91 -1.07 0.00 0.00 179.97 177.39 3d4y h ASN 177 N 0.71 0.09 -0.23 7.04 2.35 -1.20 -1.06 115.58 123.28 3d4y h ASN 177 Ca 0.17 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3d4y h ASN 177 Cb 0.15 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3d4y h ASN 177 CO -0.02 1.09 0.04 0.58 -1.65 0.00 0.00 177.43 177.47 3d4y h VAL 178 N 0.02 0.89 -0.41 2.81 2.07 -1.00 -0.90 116.25 119.73 3d4y h VAL 178 Ca -0.09 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3d4y h VAL 178 Cb 1.86 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3d4y h VAL 178 CO 0.14 0.02 -0.15 0.25 0.02 0.00 0.00 177.57 177.85 3d4y h LEU 179 N 0.13 0.75 -0.30 2.57 5.85 -1.02 -1.60 115.31 121.69 3d4y h LEU 179 Ca 0.10 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3d4y h LEU 179 Cb 0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3d4y h LEU 179 CO -0.14 0.91 0.16 0.25 -0.34 0.00 0.00 178.44 179.28 3d4y h LEU 180 N 0.68 0.25 -0.23 2.25 5.85 -0.91 0.30 115.31 123.50 3d4y h LEU 180 Ca 0.11 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 3d4y h LEU 180 Cb 0.63 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3d4y h LEU 180 CO 0.04 0.19 -0.90 0.06 -0.34 0.00 0.00 178.44 177.49 3d4y h GLN 181 N 0.34 0.06 -0.31 1.25 -0.00 -1.06 0.30 115.11 115.68 3d4y h GLN 181 Ca 0.12 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.68 3d4y h GLN 181 Cb 0.02 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.51 3d4y h GLN 181 CO -0.07 0.91 0.11 1.25 -0.00 0.00 0.00 178.83 181.03 3d4y h LEU 182 N 0.03 0.44 -0.93 0.06 5.85 -0.99 -1.51 115.31 118.26 3d4y h LEU 182 Ca -0.02 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3d4y h LEU 182 Cb 1.57 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3d4y h LEU 182 CO 0.12 0.52 0.32 0.74 -0.34 0.00 0.00 178.44 179.80 3d4y h THR 183 N 0.34 1.25 -0.24 1.05 2.02 -0.57 0.07 112.91 116.83 3d4y h THR 183 Ca 0.10 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3d4y h THR 183 Cb 0.23 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3d4y h THR 183 CO -0.00 0.31 0.15 -0.08 0.37 0.00 0.00 175.52 176.26 3d4y h GLU 184 N 1.08 0.32 -0.12 6.66 4.57 -0.68 0.99 114.58 127.41 3d4y h GLU 184 Ca 0.25 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3d4y h GLU 184 Cb 0.17 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3d4y h GLU 184 CO -0.03 0.25 -0.18 0.78 -1.18 0.00 0.00 179.01 178.66 3d4y h GLY 185 N 0.30 0.35 1.70 1.92 0.00 -1.24 -2.46 103.07 103.63 3d4y h GLY 185 Ca 0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3d4y h GLY 185 CO -0.02 0.35 -0.31 1.46 0.00 0.00 0.00 176.54 178.03 3d4y h GLN 186 N -0.09 0.35 -0.26 4.80 4.20 -0.11 -1.27 115.11 122.72 3d4y h GLN 186 Ca 0.01 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 3d4y h GLN 186 Cb 0.74 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3d4y h GLN 186 CO 0.04 0.62 -0.24 1.15 -0.67 0.00 0.00 178.83 179.73 3d4y h THR 187 N 0.30 1.26 0.02 -0.54 2.02 -0.80 -0.35 112.91 114.82 3d4y h THR 187 Ca 0.04 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 3d4y h THR 187 Cb 0.70 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3d4y h THR 187 CO 0.05 0.40 -0.01 -0.25 0.37 0.00 0.00 175.52 176.09 3d4y h TRP 188 N 0.44 -0.02 -0.80 3.16 7.01 -0.99 -1.59 115.95 123.16 3d4y h TRP 188 Ca 0.07 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.15 3d4y h TRP 188 Cb 0.66 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.66 3d4y h TRP 188 CO 0.02 0.26 0.46 -0.07 -2.79 0.00 0.00 178.44 176.32 3d4y h LEU 189 N -0.30 0.66 -0.37 0.65 3.38 -1.12 -0.37 115.31 117.83 3d4y h LEU 189 Ca -0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3d4y h LEU 189 Cb 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3d4y h LEU 189 CO 0.00 0.38 -0.24 0.50 0.09 0.00 0.00 178.44 179.17 3d4y h LYS 190 N 0.78 0.83 -0.48 1.13 3.64 -0.89 0.16 116.57 121.74 3d4y h LYS 190 Ca 0.38 -0.39 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3d4y h LYS 190 Cb 0.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3d4y h LYS 190 CO -0.24 1.02 -0.23 0.37 -2.27 0.00 0.00 179.45 178.11 3d4y h GLN 191 N 0.62 1.01 0.00 1.90 4.15 -0.87 -2.71 115.11 119.21 3d4y h GLN 191 Ca 0.08 -0.44 -0.26 0.00 0.77 0.00 0.00 58.65 58.80 3d4y h GLN 191 Cb 0.81 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 3d4y h GLN 191 CO 0.07 1.12 -1.98 1.19 -1.93 0.00 0.00 178.83 177.29 3d4y n PHE 192 N -4.11 0.00 0.43 3.99 3.72 -0.19 -4.63 117.46 116.68 3d4y n PHE 192 Ca -0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3d4y n PHE 192 Cb 0.47 -0.70 -0.06 0.00 -0.94 0.00 0.00 39.48 38.24 3d4y n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3d4y n MET 193 N -2.58 3.26 -3.70 -1.08 2.81 0.40 -5.00 117.12 111.23 3d4y n MET 193 Ca -0.24 -0.01 -0.24 0.00 -1.81 0.00 0.00 57.70 55.40 3d4y n MET 193 Cb 0.95 -1.01 0.05 0.00 -0.71 0.00 0.00 33.22 32.50 3d4y n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3d4y n ASN 194 N -1.31 -3.77 -3.96 7.83 5.15 -0.18 -4.91 115.26 114.10 3d4y n ASN 194 Ca 0.02 -0.70 -0.09 0.00 -0.60 0.00 0.00 54.58 53.20 3d4y n ASN 194 Cb 0.17 -4.42 -0.11 0.00 -0.53 0.00 0.00 39.78 34.89 3d4y n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d4y s VAL 195 N -3.41 0.10 -0.23 3.44 -7.23 -1.19 -4.98 120.40 106.89 3d4y s VAL 195 Ca 0.36 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 3d4y s VAL 195 Cb -0.17 -0.25 0.06 0.00 0.56 0.00 0.00 36.38 36.59 3d4y s VAL 195 CO 0.78 -0.45 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.23 3d4y s THR 196 N -1.32 1.11 0.47 5.32 2.01 -1.26 -3.32 115.64 118.65 3d4y s THR 196 Ca -0.14 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.60 3d4y s THR 196 Cb -0.09 -1.52 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 3d4y s THR 196 CO -0.01 -0.21 1.31 -2.65 -0.69 0.00 0.00 174.62 172.37 3d4y n PRO 197 N 4.82 1.88 0.00 4.92 -0.02 -1.26 -4.93 135.00 140.40 3d4y n PRO 197 Ca -0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3d4y n PRO 197 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3d4y n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d4y n THR 198 N -0.51 0.46 -5.21 3.45 -2.24 -1.26 -4.76 114.28 104.20 3d4y n THR 198 Ca 0.08 -0.70 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 3d4y n THR 198 Cb 0.42 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.29 3d4y n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d4y s ALA 199 N -0.46 2.09 0.09 6.98 0.00 -1.26 -0.89 121.76 128.32 3d4y s ALA 199 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 3d4y s ALA 199 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3d4y s ALA 199 CO 0.00 0.39 0.05 0.45 0.00 0.00 0.00 175.76 176.64 3d4y s SER 200 N -0.08 5.30 -0.21 0.00 0.15 -0.44 -0.33 113.70 118.09 3d4y s SER 200 Ca -0.05 -0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 3d4y s SER 200 Cb -0.14 -1.35 0.07 0.00 -1.71 0.00 0.00 66.02 62.89 3d4y s SER 200 CO 0.04 0.16 0.06 0.86 1.20 0.00 0.00 173.24 175.56 3d4y s TRP 201 N -1.39 0.88 -0.52 3.44 -0.11 -1.26 -0.86 118.94 119.12 3d4y s TRP 201 Ca 0.28 -0.84 0.03 0.00 1.22 0.00 0.00 56.10 56.79 3d4y s TRP 201 Cb -0.12 -1.02 0.15 0.00 -1.50 0.00 0.00 33.47 30.98 3d4y s TRP 201 CO 0.20 -0.64 0.33 0.00 -4.62 0.00 0.00 176.95 172.23 3d4y s ALA 202 N 1.91 2.61 -0.98 5.86 0.00 -0.42 -4.87 121.76 125.87 3d4y s ALA 202 Ca 0.01 -2.99 0.23 0.00 0.00 0.00 0.00 51.96 49.21 3d4y s ALA 202 Cb -0.17 -1.95 0.06 0.00 0.00 0.00 0.00 23.12 21.07 3d4y s ALA 202 CO -0.12 -2.05 1.10 0.44 0.00 0.00 0.00 175.76 175.13 3d4y n ILE 203 N 2.95 0.01 0.00 0.00 -5.35 -1.26 -3.12 119.36 112.58 3d4y n ILE 203 Ca 0.15 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 3d4y n ILE 203 Cb 0.37 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3d4y n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3d4y n ASP 204 N -1.52 3.46 -4.74 7.28 2.03 -1.26 -4.47 116.55 117.33 3d4y n ASP 204 Ca 0.04 -0.01 -0.37 0.00 0.52 0.00 0.00 54.79 54.97 3d4y n ASP 204 Cb 0.34 0.72 0.06 0.00 -0.72 0.00 0.00 41.12 41.51 3d4y n ASP 204 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3d4y s PRO 205 N -1.41 2.72 -1.21 -0.67 0.02 -1.26 -4.84 135.00 128.34 3d4y s PRO 205 Ca 0.00 2.06 -0.10 0.00 0.02 0.00 0.00 61.00 62.98 3d4y s PRO 205 Cb 0.00 -1.93 0.20 0.00 0.02 0.00 0.00 34.50 32.79 3d4y s PRO 205 CO 0.00 -1.47 1.56 1.19 -0.33 0.00 0.00 177.00 177.95 3d4y n PHE 206 N -1.70 3.92 0.00 6.54 3.72 -1.26 -4.42 117.46 124.27 3d4y n PHE 206 Ca 0.15 -3.12 0.00 0.00 -0.05 0.00 0.00 57.45 54.42 3d4y n PHE 206 Cb 0.48 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.10 3d4y n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4y n GLY 207 N 3.07 2.42 3.07 1.37 0.00 -1.12 -4.58 105.19 109.42 3d4y n GLY 207 Ca 0.35 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 3d4y n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d4y s HIS 208 N -2.64 0.97 -0.01 1.61 3.76 -1.10 -4.62 115.29 113.24 3d4y s HIS 208 Ca 0.00 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 3d4y s HIS 208 Cb 0.00 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 3d4y s HIS 208 CO 0.00 -0.01 -0.09 0.45 -0.85 0.00 0.00 174.74 174.24 3d4y s SER 209 N -0.68 4.45 0.05 1.40 0.15 -1.26 -1.00 113.70 116.81 3d4y s SER 209 Ca 0.02 -0.16 0.13 0.00 0.70 0.00 0.00 55.95 56.63 3d4y s SER 209 Cb -0.06 -1.01 0.55 0.00 -1.71 0.00 0.00 66.02 63.79 3d4y s SER 209 CO 0.00 0.31 1.40 -0.81 1.20 0.00 0.00 173.24 175.34 3d4y n PRO 210 N 1.80 0.03 0.11 5.44 -0.04 -1.26 -1.88 135.00 139.20 3d4y n PRO 210 Ca -0.16 0.35 0.06 0.00 -0.04 0.00 0.00 63.50 63.71 3d4y n PRO 210 Cb 0.53 -1.57 0.52 0.00 -0.04 0.00 0.00 33.50 32.94 3d4y n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3d4y h THR 211 N 0.00 1.04 0.60 0.52 2.02 -1.95 -1.98 112.91 113.16 3d4y h THR 211 Ca 0.00 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3d4y h THR 211 Cb 0.19 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3d4y h THR 211 CO 0.00 0.06 -0.29 0.24 0.37 0.00 0.00 175.52 175.90 3d4y h MET 212 N 0.30 -0.77 0.00 6.66 2.86 -1.78 -0.96 114.93 121.24 3d4y h MET 212 Ca 0.09 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3d4y h MET 212 Cb 0.01 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3d4y h MET 212 CO -0.02 -0.48 -0.04 -1.00 1.06 0.00 0.00 176.91 176.43 3d4y h PRO 213 N -0.92 0.00 0.12 -0.22 0.13 -1.74 0.23 132.00 129.61 3d4y h PRO 213 Ca -0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3d4y h PRO 213 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 3d4y h PRO 213 CO 0.13 0.04 -0.18 -0.92 -0.23 0.00 0.00 178.00 176.85 3d4y h TYR 214 N 0.00 -0.46 -0.20 1.56 5.03 -1.04 0.19 116.97 122.04 3d4y h TYR 214 Ca -0.00 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.17 3d4y h TYR 214 Cb 0.08 0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.55 3d4y h TYR 214 CO 0.00 -0.26 -0.44 0.82 -1.32 0.00 0.00 178.16 176.96 3d4y h ILE 215 N -0.35 1.32 -0.28 1.81 2.04 -0.68 -3.03 117.51 118.34 3d4y h ILE 215 Ca 0.02 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 3d4y h ILE 215 Cb 0.36 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3d4y h ILE 215 CO -0.08 0.52 0.16 -0.07 0.00 0.00 0.00 178.15 178.68 3d4y h LEU 216 N 0.35 0.34 -1.54 1.44 3.38 -0.41 -2.28 115.31 116.58 3d4y h LEU 216 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3d4y h LEU 216 Cb 1.04 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3d4y h LEU 216 CO 0.10 0.30 0.33 -0.61 0.09 0.00 0.00 178.44 178.65 3d4y h GLN 217 N 0.35 0.59 -0.01 1.13 -0.00 -0.65 0.12 115.11 116.65 3d4y h GLN 217 Ca 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 3d4y h GLN 217 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.38 3d4y h GLN 217 CO -0.02 0.39 -0.04 1.63 0.00 0.00 0.00 178.83 180.79 3d4y n LYS 218 N -4.47 1.04 -0.42 1.69 5.02 -1.07 -3.28 118.16 116.68 3d4y n LYS 218 Ca 0.05 -0.34 0.06 0.00 -2.02 0.00 0.00 58.31 56.07 3d4y n LYS 218 Cb 0.11 -1.49 0.21 0.00 -0.02 0.00 0.00 35.03 33.83 3d4y n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3d4y n SER 219 N -0.68 2.95 0.00 4.39 7.64 -0.09 -1.82 113.62 126.01 3d4y n SER 219 Ca 0.19 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.80 3d4y n SER 219 Cb 0.24 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 3d4y n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4y n GLY 220 N -0.97 0.77 3.79 0.23 0.00 -1.10 -4.88 105.19 103.03 3d4y n GLY 220 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3d4y n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d4y s PHE 221 N -2.86 2.93 -0.04 1.61 0.40 -0.51 -4.81 117.98 114.69 3d4y s PHE 221 Ca 0.00 1.57 0.04 0.00 -0.60 0.00 0.00 56.93 57.93 3d4y s PHE 221 Cb 0.00 -3.11 -0.06 0.00 0.51 0.00 0.00 43.02 40.37 3d4y s PHE 221 CO 0.00 -1.00 0.10 1.63 0.70 0.00 0.00 175.22 176.65 3d4y n LYS 222 N -1.10 1.41 -3.64 0.44 4.76 -0.07 -4.54 118.16 115.42 3d4y n LYS 222 Ca 0.10 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 3d4y n LYS 222 Cb 0.52 -1.00 -0.06 0.00 -1.84 0.00 0.00 35.03 32.66 3d4y n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3d4y s ASN 223 N -2.19 -0.29 0.02 4.39 0.01 -1.09 -3.72 114.94 112.05 3d4y s ASN 223 Ca -0.01 -0.05 -0.14 0.00 -0.71 0.00 0.00 52.86 51.96 3d4y s ASN 223 Cb 0.03 0.44 0.02 0.00 0.41 0.00 0.00 41.25 42.15 3d4y s ASN 223 CO 0.16 -0.71 0.29 0.00 -1.51 0.00 0.00 177.10 175.33 3d4y s MET 224 N -2.77 0.73 -0.04 -0.60 0.23 -0.24 -1.33 119.30 115.28 3d4y s MET 224 Ca -0.03 -0.37 0.05 0.00 -1.03 0.00 0.00 55.69 54.30 3d4y s MET 224 Cb -0.00 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 33.61 3d4y s MET 224 CO -0.04 -0.22 -0.18 -1.17 -2.03 0.00 0.00 175.02 171.38 3d4y s LEU 225 N -1.72 1.95 0.16 0.18 0.20 -0.04 -0.24 118.68 119.18 3d4y s LEU 225 Ca -0.09 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 54.41 3d4y s LEU 225 Cb -0.03 -1.01 -0.05 0.00 -0.43 0.00 0.00 46.19 44.68 3d4y s LEU 225 CO 0.00 0.17 -0.08 0.27 -0.29 0.00 0.00 176.35 176.42 3d4y s ILE 226 N -0.06 1.11 0.00 6.68 -4.36 0.09 -1.30 121.20 123.36 3d4y s ILE 226 Ca -0.02 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 3d4y s ILE 226 Cb -0.11 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.68 3d4y s ILE 226 CO 0.02 -0.68 0.00 1.67 0.24 0.00 0.00 174.94 176.18 3d4y n GLN 227 N -0.22 0.00 -3.01 0.37 -0.06 -1.18 -1.32 117.38 111.96 3d4y n GLN 227 Ca -0.09 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.46 3d4y n GLN 227 Cb 0.61 -0.42 -0.01 0.00 -4.06 0.00 0.00 30.24 26.36 3d4y n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3d4y s ARG 228 N -1.50 3.93 0.20 3.69 0.52 -1.26 -4.77 118.95 119.75 3d4y s ARG 228 Ca 0.00 -2.41 0.11 0.00 -0.52 0.00 0.00 55.73 52.91 3d4y s ARG 228 Cb 0.00 -4.93 -0.04 0.00 0.52 0.00 0.00 34.95 30.50 3d4y s ARG 228 CO 0.00 -1.68 -0.23 0.95 0.02 0.00 0.00 175.30 174.36 3d4y s THR 229 N 1.50 2.28 0.19 0.02 -4.23 -1.26 -2.80 115.64 111.33 3d4y s THR 229 Ca 0.37 -2.06 -0.32 0.00 -1.18 0.00 0.00 61.69 58.50 3d4y s THR 229 Cb -0.05 -2.10 -0.15 0.00 1.34 0.00 0.00 72.50 71.54 3d4y s THR 229 CO -0.04 -0.18 1.19 1.57 -0.54 0.00 0.00 174.62 176.62 3d4y n HIS 230 N 0.17 1.43 -0.16 3.99 -0.00 -1.26 -4.74 115.22 114.65 3d4y n HIS 230 Ca -0.12 0.64 0.11 0.00 0.46 0.00 0.00 57.72 58.82 3d4y n HIS 230 Cb 0.57 -2.31 0.44 0.00 -0.12 0.00 0.00 29.99 28.57 3d4y n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3d4y h TYR 231 N 3.41 0.60 -0.18 1.57 -0.00 -1.82 0.02 116.97 120.58 3d4y h TYR 231 Ca -0.43 0.02 -0.07 0.00 0.00 0.00 0.00 58.73 58.25 3d4y h TYR 231 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 37.86 3d4y h TYR 231 CO 0.54 0.27 -0.19 0.77 -0.00 0.00 0.00 178.16 179.55 3d4y h SER 232 N 0.55 0.29 -0.05 0.10 0.02 -1.88 -1.82 113.55 110.76 3d4y h SER 232 Ca 0.34 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 3d4y h SER 232 Cb 0.57 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.04 3d4y h SER 232 CO -0.12 0.50 -0.36 0.58 -1.14 0.00 0.00 176.83 176.29 3d4y h VAL 233 N 0.28 1.44 -0.56 2.27 2.07 -1.39 -0.97 116.25 119.39 3d4y h VAL 233 Ca 0.05 -1.81 0.10 0.00 0.82 0.00 0.00 66.70 65.86 3d4y h VAL 233 Cb 0.50 2.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.61 3d4y h VAL 233 CO 0.03 0.52 0.09 0.11 0.02 0.00 0.00 177.57 178.34 3d4y h LYS 234 N -0.19 0.21 -0.43 1.57 1.57 -1.17 0.69 116.57 118.83 3d4y h LYS 234 Ca -0.03 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3d4y h LYS 234 Cb 1.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3d4y h LYS 234 CO 0.07 0.14 0.05 -0.22 -0.57 0.00 0.00 179.45 178.93 3d4y h LYS 235 N 0.22 0.72 0.07 3.15 3.64 -1.19 0.52 116.57 123.71 3d4y h LYS 235 Ca 0.29 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3d4y h LYS 235 Cb 0.42 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3d4y h LYS 235 CO -0.39 0.77 -0.03 1.49 -2.27 0.00 0.00 179.45 179.01 3d4y h GLU 236 N 0.57 -0.09 -0.43 1.90 4.57 -0.72 -2.23 114.58 118.15 3d4y h GLU 236 Ca 0.13 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 3d4y h GLU 236 Cb 0.40 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3d4y h GLU 236 CO 0.01 0.04 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.66 3d4y h LEU 237 N -0.20 0.81 -0.98 1.64 3.38 -0.81 -2.99 115.31 116.15 3d4y h LEU 237 Ca -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3d4y h LEU 237 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3d4y h LEU 237 CO 0.02 0.96 0.33 0.00 0.09 0.00 0.00 178.44 179.84 3d4y h ALA 238 N 1.11 1.20 -0.44 1.53 0.00 -0.77 0.13 119.26 122.03 3d4y h ALA 238 Ca 0.11 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3d4y h ALA 238 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3d4y h ALA 238 CO 0.04 0.60 0.30 1.96 0.00 0.00 0.00 179.25 182.15 3d4y h GLN 239 N 1.05 0.27 -0.23 0.00 4.20 -1.25 -1.75 115.11 117.40 3d4y h GLN 239 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3d4y h GLN 239 Cb 0.14 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3d4y h GLN 239 CO -0.03 0.18 0.00 1.04 -0.67 0.00 0.00 178.83 179.35 3d4y n GLN 240 N -4.47 2.10 -3.76 1.46 1.13 -0.92 -4.96 117.38 107.95 3d4y n GLN 240 Ca 0.06 -1.96 -0.23 0.00 -1.94 0.00 0.00 57.00 52.94 3d4y n GLN 240 Cb 0.31 -1.41 0.02 0.00 0.11 0.00 0.00 30.24 29.27 3d4y n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3d4y n ARG 241 N 1.18 -4.75 -0.64 -1.09 1.74 -0.66 -4.89 116.66 107.55 3d4y n ARG 241 Ca 0.15 0.59 0.01 0.00 -0.77 0.00 0.00 57.85 57.82 3d4y n ARG 241 Cb 0.52 -5.12 0.22 0.00 -1.02 0.00 0.00 32.46 27.05 3d4y n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3d4y n GLN 242 N -4.34 2.25 0.21 5.56 6.02 0.39 -4.60 117.38 122.88 3d4y n GLN 242 Ca -0.26 -3.02 0.14 0.00 -0.01 0.00 0.00 57.00 53.85 3d4y n GLN 242 Cb 0.66 -1.82 0.44 0.00 1.02 0.00 0.00 30.24 30.54 3d4y n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3d4y h LEU 243 N 1.27 0.00 -8.32 1.08 3.38 -1.82 -3.41 115.31 107.49 3d4y h LEU 243 Ca 0.14 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.44 3d4y h LEU 243 Cb 1.58 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 42.01 3d4y h LEU 243 CO 0.33 0.00 -0.84 -1.61 0.09 0.00 0.00 178.44 176.41 3d4y s GLU 244 N -3.38 3.12 0.14 1.13 2.02 -1.26 0.00 118.70 120.48 3d4y s GLU 244 Ca 0.05 -0.81 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 3d4y s GLU 244 Cb 0.08 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.83 3d4y s GLU 244 CO 0.58 0.05 0.36 -0.59 0.02 0.00 0.00 175.26 175.67 3d4y s PHE 245 N 0.69 0.02 -0.54 1.61 -0.12 -0.27 -4.18 117.98 115.19 3d4y s PHE 245 Ca -0.09 -0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 56.22 3d4y s PHE 245 Cb -0.16 0.15 0.07 0.00 -0.63 0.00 0.00 43.02 42.45 3d4y s PHE 245 CO 0.01 -0.72 0.70 -0.51 -0.05 0.00 0.00 175.22 174.65 3d4y s LEU 246 N -2.87 4.92 -0.47 -1.99 1.43 0.12 -0.41 118.68 119.41 3d4y s LEU 246 Ca 0.08 -0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 3d4y s LEU 246 Cb 0.02 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3d4y s LEU 246 CO -0.07 -1.01 0.77 0.86 0.23 0.00 0.00 176.35 177.13 3d4y s TRP 247 N 2.87 2.98 0.38 0.29 -0.11 -0.40 -1.41 118.94 123.54 3d4y s TRP 247 Ca 0.16 0.04 0.08 0.00 1.22 0.00 0.00 56.10 57.60 3d4y s TRP 247 Cb -0.19 -3.67 -0.03 0.00 -1.50 0.00 0.00 33.47 28.08 3d4y s TRP 247 CO 0.11 -1.03 0.28 -0.98 -4.62 0.00 0.00 176.95 170.71 3d4y s ARG 248 N 3.26 2.48 0.60 5.86 1.70 -0.11 -1.74 118.95 131.00 3d4y s ARG 248 Ca 0.27 -1.55 -0.15 0.00 -0.47 0.00 0.00 55.73 53.84 3d4y s ARG 248 Cb -0.13 -2.28 -0.04 0.00 -0.57 0.00 0.00 34.95 31.93 3d4y s ARG 248 CO 0.21 -0.06 1.05 -0.65 -1.08 0.00 0.00 175.30 174.77 3d4y s GLN 249 N -4.00 3.35 0.58 3.89 -1.52 -1.26 -4.35 119.66 116.34 3d4y s GLN 249 Ca 0.43 1.13 0.28 0.00 -1.95 0.00 0.00 55.36 55.25 3d4y s GLN 249 Cb -0.02 -2.04 1.72 0.00 -0.22 0.00 0.00 33.01 32.45 3d4y s GLN 249 CO 0.26 -0.78 2.23 -0.84 -0.25 0.00 0.00 175.29 175.91 3d4y h ILE 250 N 0.33 0.59 -0.03 1.08 3.07 -1.94 -1.66 117.51 118.95 3d4y h ILE 250 Ca -0.46 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3d4y h ILE 250 Cb 1.21 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3d4y h ILE 250 CO 0.58 0.01 -0.09 -2.67 -1.05 0.00 0.00 178.15 174.93 3d4y n TRP 251 N -3.92 0.00 -2.57 0.16 2.14 -1.26 -4.66 117.44 107.33 3d4y n TRP 251 Ca -0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 3d4y n TRP 251 Cb 0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 3d4y n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3d4y s ASP 252 N -2.07 6.27 0.14 -0.67 2.15 -0.63 -4.71 116.67 117.15 3d4y s ASP 252 Ca 0.26 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 52.96 3d4y s ASP 252 Cb 0.19 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.20 3d4y s ASP 252 CO 0.35 -1.70 1.33 -1.13 -0.17 0.00 0.00 175.17 173.85 3d4y h ASN 253 N 9.84 0.43 0.37 -0.34 -1.24 -1.88 -3.35 115.58 119.41 3d4y h ASN 253 Ca -0.27 -0.35 -0.32 0.00 0.71 0.00 0.00 56.30 56.07 3d4y h ASN 253 Cb 1.05 -0.13 0.02 0.00 0.73 0.00 0.00 38.32 39.98 3d4y h ASN 253 CO 1.24 1.15 -1.51 0.50 -1.29 0.00 0.00 177.43 177.52 3d4y h LYS 254 N 0.19 0.39 0.00 6.67 3.64 -1.99 -3.44 116.57 122.03 3d4y h LYS 254 Ca -0.07 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 3d4y h LYS 254 Cb 1.55 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3d4y h LYS 254 CO 0.15 1.30 0.00 0.41 -2.27 0.00 0.00 179.45 179.04 3d4y n GLY 255 N 1.70 0.91 0.23 5.01 0.00 -1.26 -4.98 105.19 106.80 3d4y n GLY 255 Ca -0.17 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 45.94 3d4y n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d4y h ASP 256 N 0.00 0.00 0.41 1.61 3.32 -1.94 -2.02 116.42 117.80 3d4y h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d4y h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3d4y h ASP 256 CO 0.00 0.00 -0.08 0.35 -1.72 0.00 0.00 179.24 177.79 3d4y n THR 257 N -2.77 0.00 -1.95 0.35 -2.24 -1.26 -4.96 114.28 101.45 3d4y n THR 257 Ca 0.00 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.34 3d4y n THR 257 Cb 0.23 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3d4y n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d4y s ALA 258 N -2.48 3.42 -0.05 6.98 0.00 -0.76 -4.70 121.76 124.16 3d4y s ALA 258 Ca 0.29 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.65 3d4y s ALA 258 Cb 0.20 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3d4y s ALA 258 CO 0.47 -0.91 -0.07 -1.17 0.00 0.00 0.00 175.76 174.08 3d4y s LEU 259 N -2.21 1.40 0.08 0.00 2.96 -0.71 -4.89 118.68 115.31 3d4y s LEU 259 Ca 0.54 -0.18 -0.31 0.00 -0.22 0.00 0.00 54.13 53.96 3d4y s LEU 259 Cb -0.42 -0.57 -0.09 0.00 0.50 0.00 0.00 46.19 45.62 3d4y s LEU 259 CO 0.56 -0.03 1.68 0.12 -1.32 0.00 0.00 176.35 177.35 3d4y s PHE 260 N 0.88 2.37 -0.02 5.38 5.36 -1.24 -1.28 117.98 129.43 3d4y s PHE 260 Ca -0.11 0.26 0.07 0.00 -0.96 0.00 0.00 56.93 56.18 3d4y s PHE 260 Cb -0.15 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.52 3d4y s PHE 260 CO 0.01 -4.03 -0.22 0.99 -1.46 0.00 0.00 175.22 170.51 3d4y s THR 261 N 2.68 1.75 -0.19 0.12 2.01 0.45 -1.08 115.64 121.38 3d4y s THR 261 Ca 0.75 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 3d4y s THR 261 Cb -0.41 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 3d4y s THR 261 CO 0.33 0.50 -0.10 -2.28 -0.69 0.00 0.00 174.62 172.37 3d4y s HIS 262 N -0.47 2.88 -0.24 4.92 2.46 0.67 -1.11 115.29 124.40 3d4y s HIS 262 Ca 0.07 -1.09 -0.11 0.00 0.47 0.00 0.00 55.06 54.40 3d4y s HIS 262 Cb -0.09 -2.01 -0.05 0.00 -0.13 0.00 0.00 32.58 30.30 3d4y s HIS 262 CO -0.00 -0.56 0.21 1.41 -2.47 0.00 0.00 174.74 173.32 3d4y s MET 263 N 1.23 4.08 0.50 2.88 1.75 0.10 -0.73 119.30 129.12 3d4y s MET 263 Ca 0.03 -0.19 -0.21 0.00 -1.25 0.00 0.00 55.69 54.06 3d4y s MET 263 Cb -0.14 -3.55 -0.06 0.00 2.84 0.00 0.00 34.83 33.92 3d4y s MET 263 CO -0.04 0.03 1.17 -1.64 -0.65 0.00 0.00 175.02 173.88 3d4y s MET 264 N 1.15 3.54 0.16 4.11 -1.94 -0.43 -4.79 119.30 121.09 3d4y s MET 264 Ca 0.10 1.76 0.23 0.00 -1.71 0.00 0.00 55.69 56.06 3d4y s MET 264 Cb -0.14 -2.24 0.12 0.00 2.01 0.00 0.00 34.83 34.59 3d4y s MET 264 CO 0.05 -0.73 1.14 -1.00 -0.01 0.00 0.00 175.02 174.47 3d4y h PRO 265 N 1.66 0.00 0.00 2.03 0.13 -1.92 -3.46 132.00 130.44 3d4y h PRO 265 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 3d4y h PRO 265 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3d4y h PRO 265 CO 0.59 0.00 -0.05 1.19 -0.23 0.00 0.00 178.00 179.50 3d4y n PHE 266 N -2.42 -1.22 0.16 1.56 3.72 -1.26 -4.83 117.46 113.17 3d4y n PHE 266 Ca 0.01 -0.40 0.05 0.00 -0.05 0.00 0.00 57.45 57.07 3d4y n PHE 266 Cb 0.50 -0.07 0.10 0.00 -0.94 0.00 0.00 39.48 39.07 3d4y n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3d4y h TYR 267 N 0.57 0.00 -4.03 1.38 3.20 -1.95 -3.46 116.97 112.67 3d4y h TYR 267 Ca -0.06 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 3d4y h TYR 267 Cb 0.22 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.37 3d4y h TYR 267 CO 0.00 0.37 -0.31 0.45 -1.64 0.00 0.00 178.16 177.03 3d4y s SER 268 N -6.38 0.04 0.00 -2.11 0.15 -1.26 -5.03 113.70 99.10 3d4y s SER 268 Ca 0.04 -1.13 0.23 0.00 0.70 0.00 0.00 55.95 55.80 3d4y s SER 268 Cb 0.07 0.51 0.49 0.00 -1.71 0.00 0.00 66.02 65.38 3d4y s SER 268 CO 0.72 -1.03 1.43 0.00 1.20 0.00 0.00 173.24 175.56 3d4y n TYR 269 N -0.35 0.28 -1.41 3.44 0.18 -1.26 -4.49 117.16 113.55 3d4y n TYR 269 Ca -0.00 -0.14 -0.29 0.00 1.88 0.00 0.00 57.90 59.35 3d4y n TYR 269 Cb 0.63 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.73 3d4y n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3d4y s ASP 270 N -1.67 3.54 0.22 9.48 1.47 -1.26 -4.61 116.67 123.84 3d4y s ASP 270 Ca 0.35 1.17 -0.09 0.00 1.18 0.00 0.00 52.55 55.16 3d4y s ASP 270 Cb 0.21 -1.83 0.18 0.00 -0.34 0.00 0.00 42.92 41.14 3d4y s ASP 270 CO 0.30 -2.56 1.88 0.40 0.68 0.00 0.00 175.17 175.88 3d4y h ILE 271 N -1.50 1.21 -0.13 2.11 2.04 -1.89 -1.49 117.51 117.87 3d4y h ILE 271 Ca -0.50 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3d4y h ILE 271 Cb 1.31 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3d4y h ILE 271 CO 0.59 0.21 0.16 -0.65 0.00 0.00 0.00 178.15 178.46 3d4y h PRO 272 N 1.10 0.00 -0.25 2.37 0.11 -1.88 -2.27 132.00 131.19 3d4y h PRO 272 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3d4y h PRO 272 Cb -0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3d4y h PRO 272 CO -0.06 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.45 3d4y n HIS 273 N -3.72 0.82 0.00 0.65 8.25 -0.61 -3.83 115.22 116.78 3d4y n HIS 273 Ca 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 3d4y n HIS 273 Cb 0.27 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3d4y n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3d4y n THR 274 N -0.48 0.00 0.14 1.59 -2.24 -0.86 -4.57 114.28 107.87 3d4y n THR 274 Ca 0.20 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.73 3d4y n THR 274 Cb 0.82 0.87 0.05 0.00 -2.10 0.00 0.00 70.33 69.98 3d4y n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d4y n GLY 276 N 1.20 -1.70 0.08 0.00 0.00 -1.26 -3.60 105.19 99.91 3d4y n GLY 276 Ca 0.01 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.98 3d4y n GLY 276 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d4y n PRO 277 N -0.23 0.19 -3.64 1.61 -0.04 -1.26 -4.63 135.00 126.99 3d4y n PRO 277 Ca 0.00 0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 3d4y n PRO 277 Cb 0.00 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 3d4y n PRO 277 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d4y s ASP 278 N -4.11 5.53 0.56 3.54 2.15 -1.26 -3.25 116.67 119.85 3d4y s ASP 278 Ca 0.10 -1.79 0.33 0.00 0.43 0.00 0.00 52.55 51.62 3d4y s ASP 278 Cb 0.13 -1.94 1.66 0.00 -0.30 0.00 0.00 42.92 42.47 3d4y s ASP 278 CO 0.53 -0.59 2.12 1.55 -0.17 0.00 0.00 175.17 178.61 3d4y h PRO 279 N 8.32 0.00 -0.15 4.34 0.13 -1.79 -0.91 132.00 141.93 3d4y h PRO 279 Ca -0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.87 3d4y h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3d4y h PRO 279 CO 0.77 0.06 -0.17 -0.22 -0.23 0.00 0.00 178.00 178.22 3d4y h LYS 280 N 0.00 0.25 0.00 0.86 3.64 -1.93 0.48 116.57 119.87 3d4y h LYS 280 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3d4y h LYS 280 Cb 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3d4y h LYS 280 CO 0.01 0.42 -0.00 0.28 -2.27 0.00 0.00 179.45 177.89 3d4y h VAL 281 N 0.24 1.45 -0.49 2.00 2.07 -1.75 -3.36 116.25 116.40 3d4y h VAL 281 Ca 0.04 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3d4y h VAL 281 Cb 0.44 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3d4y h VAL 281 CO 0.03 0.49 0.32 0.00 0.02 0.00 0.00 177.57 178.43 3d4y n GLN 284 N -4.32 0.00 -0.27 0.00 6.02 -0.41 -1.97 117.38 116.43 3d4y n GLN 284 Ca 0.03 0.28 0.08 0.00 -0.01 0.00 0.00 57.00 57.37 3d4y n GLN 284 Cb 0.33 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.28 3d4y n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3d4y n PHE 285 N -1.50 0.56 -3.37 1.08 3.72 0.22 -4.28 117.46 113.89 3d4y n PHE 285 Ca 0.03 -0.81 -0.45 0.00 -0.05 0.00 0.00 57.45 56.17 3d4y n PHE 285 Cb 0.15 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.44 3d4y n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3d4y s ASP 286 N -1.92 6.31 0.00 4.37 -1.08 -0.83 -4.94 116.67 118.58 3d4y s ASP 286 Ca 0.33 -2.23 0.24 0.00 -0.52 0.00 0.00 52.55 50.37 3d4y s ASP 286 Cb 0.26 -2.17 1.37 0.00 -1.46 0.00 0.00 42.92 40.93 3d4y s ASP 286 CO 0.08 -0.70 1.80 0.49 0.52 0.00 0.00 175.17 177.36 3d4y n PHE 287 N 4.60 0.00 1.82 -5.34 3.72 -1.26 -1.61 117.46 119.38 3d4y n PHE 287 Ca -0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.55 3d4y n PHE 287 Cb 0.43 -0.07 0.87 0.00 -0.94 0.00 0.00 39.48 39.77 3d4y n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3d4y n LYS 288 N -1.07 0.88 -1.11 -1.08 4.81 -1.26 -4.09 118.16 115.23 3d4y n LYS 288 Ca 0.16 -0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.40 3d4y n LYS 288 Cb 0.11 -1.50 0.23 0.00 0.02 0.00 0.00 35.03 33.89 3d4y n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3d4y n ARG 289 N -1.02 2.75 0.00 1.64 1.74 -0.63 -4.48 116.66 116.65 3d4y n ARG 289 Ca 0.21 -3.06 0.12 0.00 -0.77 0.00 0.00 57.85 54.35 3d4y n ARG 289 Cb 0.16 -2.16 0.12 0.00 -1.02 0.00 0.00 32.46 29.57 3d4y n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3d4y n MET 290 N -0.79 0.83 0.00 5.56 2.81 -1.26 -4.36 117.12 119.91 3d4y n MET 290 Ca 0.50 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3d4y n MET 290 Cb 1.51 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 3d4y n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d4y n GLY 291 N 1.41 4.23 0.00 3.03 0.00 -1.25 -4.98 105.19 107.63 3d4y n GLY 291 Ca 0.09 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.40 3d4y n GLY 291 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d4y n SER 292 N 0.00 0.00 -1.15 1.61 3.41 -1.26 -1.87 113.62 114.36 3d4y n SER 292 Ca 0.00 0.48 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 3d4y n SER 292 Cb 0.00 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 63.72 3d4y n SER 292 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3d4y n PHE 293 N -1.49 0.76 0.00 7.33 3.72 -1.26 -4.96 117.46 121.55 3d4y n PHE 293 Ca 0.05 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 3d4y n PHE 293 Cb 0.22 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3d4y n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4y n GLY 294 N 1.38 2.48 3.75 1.37 0.00 -0.78 -4.99 105.19 108.40 3d4y n GLY 294 Ca 0.21 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3d4y n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4y s LEU 295 N 0.00 3.28 0.33 0.99 1.43 -1.26 -4.88 118.68 118.56 3d4y s LEU 295 Ca 0.00 2.07 -0.06 0.00 -1.03 0.00 0.00 54.13 55.11 3d4y s LEU 295 Cb 0.00 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.67 3d4y s LEU 295 CO 0.00 -1.95 0.51 -0.94 0.23 0.00 0.00 176.35 174.21 3d4y s SER 296 N -2.57 0.58 -0.31 2.29 1.04 -1.26 -3.86 113.70 109.61 3d4y s SER 296 Ca 0.68 -1.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.67 3d4y s SER 296 Cb -0.22 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3d4y s SER 296 CO 0.46 -1.31 0.20 0.00 0.98 0.00 0.00 173.24 173.56 3d4y h PRO 298 N 8.41 0.00 -0.22 0.00 0.13 -1.98 -2.06 132.00 136.28 3d4y h PRO 298 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3d4y h PRO 298 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3d4y h PRO 298 CO 0.60 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.28 3d4y n TRP 299 N -2.66 0.28 -0.58 1.56 8.01 -1.26 -4.93 117.44 117.85 3d4y n TRP 299 Ca -0.01 -0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3d4y n TRP 299 Cb 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 3d4y n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3d4y n LYS 300 N 0.49 0.00 -4.02 -0.99 5.02 -0.77 -4.97 118.16 112.92 3d4y n LYS 300 Ca 0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.11 3d4y n LYS 300 Cb 0.36 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.65 3d4y n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d4y s VAL 301 N -3.24 2.54 0.61 -0.18 1.01 -1.26 -5.04 120.40 114.85 3d4y s VAL 301 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 3d4y s VAL 301 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3d4y s VAL 301 CO 0.00 0.21 1.03 -2.16 0.00 0.00 0.00 175.10 174.17 3d4y s PRO 302 N 1.26 3.54 0.64 2.72 0.04 -1.26 -4.51 135.00 137.43 3d4y s PRO 302 Ca -0.01 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 3d4y s PRO 302 Cb -0.17 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3d4y s PRO 302 CO -0.06 -0.62 1.23 -2.14 0.04 0.00 0.00 177.00 175.45 3d4y s PRO 303 N -4.88 2.67 0.00 0.56 0.02 -1.26 -4.81 135.00 127.31 3d4y s PRO 303 Ca 0.57 1.86 0.08 0.00 0.02 0.00 0.00 61.00 63.52 3d4y s PRO 303 Cb -0.12 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 3d4y s PRO 303 CO 0.49 -1.45 -0.24 1.03 -0.33 0.00 0.00 177.00 176.50 3d4y s ARG 304 N -3.50 1.83 0.23 5.54 0.52 -1.26 -4.77 118.95 117.54 3d4y s ARG 304 Ca 0.78 -0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 54.75 3d4y s ARG 304 Cb -0.32 -1.85 -0.14 0.00 0.52 0.00 0.00 34.95 33.17 3d4y s ARG 304 CO 0.38 0.50 1.29 2.41 0.02 0.00 0.00 175.30 179.90 3d4y n THR 305 N 2.25 1.07 -2.46 0.02 -1.04 -1.26 -4.91 114.28 107.96 3d4y n THR 305 Ca -0.16 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 3d4y n THR 305 Cb 0.52 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 3d4y n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3d4y s ILE 306 N -0.24 4.24 0.37 12.58 -1.09 -1.26 -4.96 121.20 130.85 3d4y s ILE 306 Ca 0.68 1.57 0.04 0.00 -2.23 0.00 0.00 60.65 60.71 3d4y s ILE 306 Cb -0.71 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.13 3d4y s ILE 306 CO 0.52 0.01 0.13 -0.94 -1.23 0.00 0.00 174.94 173.43 3d4y s SER 307 N 1.45 2.45 0.49 3.58 1.04 -1.26 -4.99 113.70 116.46 3d4y s SER 307 Ca 0.56 -1.62 0.14 0.00 0.48 0.00 0.00 55.95 55.52 3d4y s SER 307 Cb -0.25 0.41 1.18 0.00 0.10 0.00 0.00 66.02 67.45 3d4y s SER 307 CO 0.23 -0.89 2.12 0.44 0.98 0.00 0.00 173.24 176.12 3d4y h ASP 308 N 1.93 0.12 1.10 7.02 3.32 -2.00 -0.86 116.42 127.03 3d4y h ASP 308 Ca -0.35 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 3d4y h ASP 308 Cb 1.26 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3d4y h ASP 308 CO 0.57 0.08 -0.13 1.56 -1.72 0.00 0.00 179.24 179.60 3d4y h GLN 309 N 0.14 0.00 0.00 3.56 7.50 -1.98 -3.33 115.11 121.00 3d4y h GLN 309 Ca 0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.21 3d4y h GLN 309 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 3d4y h GLN 309 CO -0.01 0.13 0.00 0.27 -1.50 0.00 0.00 178.83 177.72 3d4y n ASN 310 N -3.24 0.52 -0.27 1.46 0.23 -1.07 -4.78 115.26 108.12 3d4y n ASN 310 Ca 0.01 -0.80 0.02 0.00 -0.53 0.00 0.00 54.58 53.28 3d4y n ASN 310 Cb 0.41 0.25 0.24 0.00 -2.08 0.00 0.00 39.78 38.60 3d4y n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3d4y h VAL 311 N 0.15 1.13 -0.12 3.53 3.04 -1.27 -1.00 116.25 121.71 3d4y h VAL 311 Ca 0.00 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 3d4y h VAL 311 Cb 0.08 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 29.36 3d4y h VAL 311 CO 0.00 0.19 0.02 0.00 -1.01 0.00 0.00 177.57 176.77 3d4y h ALA 312 N 1.51 0.16 -0.40 3.17 0.00 -1.85 -0.23 119.26 121.62 3d4y h ALA 312 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3d4y h ALA 312 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3d4y h ALA 312 CO -0.10 -0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.19 3d4y h ALA 313 N 0.79 0.51 -0.32 0.00 0.00 -1.79 -1.50 119.26 116.95 3d4y h ALA 313 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3d4y h ALA 313 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3d4y h ALA 313 CO 0.00 0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.45 3d4y h ARG 314 N 0.51 0.45 -0.76 0.00 2.47 -1.11 -1.93 114.38 114.02 3d4y h ARG 314 Ca 0.14 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.83 3d4y h ARG 314 Cb 0.06 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.25 3d4y h ARG 314 CO -0.02 0.40 0.48 0.77 0.56 0.00 0.00 179.97 182.16 3d4y h SER 315 N 0.38 0.79 -0.31 7.04 0.02 -0.98 -0.41 113.55 120.08 3d4y h SER 315 Ca 0.11 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3d4y h SER 315 Cb 0.09 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 3d4y h SER 315 CO -0.02 0.55 -0.04 0.44 -1.14 0.00 0.00 176.83 176.62 3d4y h ASP 316 N 0.94 -0.21 -0.29 3.07 3.32 -0.94 0.62 116.42 122.93 3d4y h ASP 316 Ca 0.30 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3d4y h ASP 316 Cb 0.02 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3d4y h ASP 316 CO -0.11 -0.07 0.15 -0.07 -1.72 0.00 0.00 179.24 177.42 3d4y h LEU 317 N 0.05 0.38 -0.09 1.55 3.38 -0.92 -2.17 115.31 117.49 3d4y h LEU 317 Ca 0.15 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3d4y h LEU 317 Cb 0.22 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3d4y h LEU 317 CO -0.29 0.38 -0.58 0.25 0.09 0.00 0.00 178.44 178.30 3d4y h LEU 318 N 0.34 0.66 -0.86 1.67 5.85 -0.82 -2.66 115.31 119.49 3d4y h LEU 318 Ca 0.10 -0.66 -0.06 0.00 0.84 0.00 0.00 57.88 58.10 3d4y h LEU 318 Cb 0.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3d4y h LEU 318 CO -0.01 1.22 0.20 0.58 -0.34 0.00 0.00 178.44 180.08 3d4y h VAL 319 N 0.15 1.25 -0.56 1.05 2.07 -0.89 -0.86 116.25 118.46 3d4y h VAL 319 Ca -0.05 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.64 3d4y h VAL 319 Cb 1.23 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3d4y h VAL 319 CO 0.12 0.34 0.28 -0.78 0.02 0.00 0.00 177.57 177.55 3d4y h ASP 320 N 1.00 0.41 -0.50 0.57 3.58 -1.34 0.17 116.42 120.31 3d4y h ASP 320 Ca 0.22 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.71 3d4y h ASP 320 Cb 0.30 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3d4y h ASP 320 CO -0.01 0.27 0.31 1.56 -2.88 0.00 0.00 179.24 178.50 3d4y h GLN 321 N 0.54 0.61 -0.62 0.28 1.08 -1.04 -2.06 115.11 113.91 3d4y h GLN 321 Ca 0.25 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.36 3d4y h GLN 321 Cb 0.16 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3d4y h GLN 321 CO -0.17 0.40 0.21 -1.49 -0.95 0.00 0.00 178.83 176.83 3d4y h TRP 322 N 0.63 0.98 0.00 2.96 6.55 -0.51 0.41 115.95 126.98 3d4y h TRP 322 Ca 0.19 -0.09 -0.10 0.00 0.95 0.00 0.00 58.89 59.83 3d4y h TRP 322 Cb -0.02 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 27.98 3d4y h TRP 322 CO -0.05 0.80 -0.50 0.87 -1.05 0.00 0.00 178.44 178.51 3d4y h LYS 323 N 0.88 0.00 0.05 0.49 1.57 -0.53 0.14 116.57 119.18 3d4y h LYS 323 Ca 0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3d4y h LYS 323 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3d4y h LYS 323 CO -0.01 0.50 -0.02 0.87 -0.57 0.00 0.00 179.45 180.22 3d4y h LYS 324 N 0.00 -0.07 -0.82 3.15 1.57 -0.94 -2.55 116.57 116.90 3d4y h LYS 324 Ca -0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3d4y h LYS 324 Cb 0.88 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 3d4y h LYS 324 CO 0.06 0.22 0.52 -0.22 -0.57 0.00 0.00 179.45 179.47 3d4y h LYS 325 N -0.36 0.94 0.00 3.15 3.64 -0.56 -2.10 116.57 121.28 3d4y h LYS 325 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3d4y h LYS 325 Cb 0.32 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3d4y h LYS 325 CO 0.01 0.62 -0.05 0.00 -2.27 0.00 0.00 179.45 177.77 3d4y h ALA 326 N 1.37 1.58 -0.04 5.00 0.00 -0.59 -1.87 119.26 124.72 3d4y h ALA 326 Ca 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3d4y h ALA 326 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3d4y h ALA 326 CO -0.15 0.06 0.08 0.93 0.00 0.00 0.00 179.25 180.18 3d4y h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -0.95 -2.37 114.58 115.64 3d4y h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3d4y h GLU 327 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3d4y h GLU 327 CO 0.01 0.00 -0.23 1.28 -1.16 0.00 0.00 179.01 178.91 3d4y n LEU 328 N -3.37 0.91 -4.47 1.33 4.77 -0.70 -4.89 117.00 110.57 3d4y n LEU 328 Ca -0.02 -0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.52 3d4y n LEU 328 Cb 0.16 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3d4y n LEU 328 CO 0.22 0.17 -0.41 -0.31 -1.33 0.00 0.00 177.39 175.73 3d4y s TYR 329 N -2.50 2.17 -0.48 -1.77 2.02 -0.89 -4.43 117.35 111.47 3d4y s TYR 329 Ca 0.25 -0.52 0.23 0.00 -0.37 0.00 0.00 57.07 56.66 3d4y s TYR 329 Cb 0.19 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 3d4y s TYR 329 CO 0.51 0.51 0.94 0.54 -1.57 0.00 0.00 175.55 176.48 3d4y n ARG 330 N -0.65 0.38 -3.73 -0.62 1.74 -1.26 -4.97 116.66 107.56 3d4y n ARG 330 Ca -0.05 -0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.76 3d4y n ARG 330 Cb 0.62 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3d4y n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d4y s THR 331 N -3.27 1.77 -0.36 0.55 -4.23 -1.26 -4.71 115.64 104.13 3d4y s THR 331 Ca 0.01 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3d4y s THR 331 Cb 0.14 -2.17 0.52 0.00 1.34 0.00 0.00 72.50 72.32 3d4y s THR 331 CO 0.82 0.00 1.59 -0.46 -0.54 0.00 0.00 174.62 176.03 3d4y n ASN 332 N -1.84 3.82 -4.18 3.99 6.94 -1.26 -4.84 115.26 117.89 3d4y n ASN 332 Ca 0.02 -3.02 -0.32 0.00 -0.02 0.00 0.00 54.58 51.24 3d4y n ASN 332 Cb 0.64 -0.71 -0.17 0.00 -2.36 0.00 0.00 39.78 37.18 3d4y n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3d4y s VAL 333 N -2.36 2.04 -0.08 3.53 1.01 -1.26 -0.98 120.40 122.30 3d4y s VAL 333 Ca 0.41 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3d4y s VAL 333 Cb 0.33 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 3d4y s VAL 333 CO 0.09 0.55 -0.22 -0.22 0.00 0.00 0.00 175.10 175.29 3d4y s LEU 334 N 0.71 2.02 -0.23 3.92 2.96 0.91 -4.98 118.68 124.00 3d4y s LEU 334 Ca -0.10 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.18 3d4y s LEU 334 Cb -0.16 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 3d4y s LEU 334 CO 0.01 0.17 0.26 -0.22 -1.32 0.00 0.00 176.35 175.24 3d4y s LEU 335 N 0.22 4.12 -0.44 -0.68 2.96 -1.26 -0.55 118.68 123.05 3d4y s LEU 335 Ca -0.13 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 3d4y s LEU 335 Cb -0.16 -2.27 0.12 0.00 0.50 0.00 0.00 46.19 44.38 3d4y s LEU 335 CO 0.07 -0.00 0.18 -0.63 -1.32 0.00 0.00 176.35 174.64 3d4y s ILE 336 N 1.22 2.35 0.58 6.68 -1.09 0.64 -4.97 121.20 126.61 3d4y s ILE 336 Ca 0.12 -2.86 -0.20 0.00 -2.23 0.00 0.00 60.65 55.48 3d4y s ILE 336 Cb -0.14 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 3d4y s ILE 336 CO 0.06 -0.73 1.27 -2.84 -1.23 0.00 0.00 174.94 171.47 3d4y s PRO 337 N 0.24 3.01 -0.40 2.79 0.02 -1.26 -0.55 135.00 138.85 3d4y s PRO 337 Ca 0.15 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3d4y s PRO 337 Cb -0.23 -2.06 0.14 0.00 0.02 0.00 0.00 34.50 32.37 3d4y s PRO 337 CO -0.04 -1.23 0.24 -1.17 -0.33 0.00 0.00 177.00 174.47 3d4y s LEU 338 N -3.86 1.85 0.00 -5.54 2.96 0.11 -4.73 118.68 109.46 3d4y s LEU 338 Ca 0.75 -2.47 0.00 0.00 -0.22 0.00 0.00 54.13 52.19 3d4y s LEU 338 Cb -0.35 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.63 3d4y s LEU 338 CO 0.39 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 3d4y n GLY 339 N 3.70 -1.23 1.11 7.98 0.00 -1.26 -1.64 105.19 113.85 3d4y n GLY 339 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3d4y n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d4y n ASP 340 N 0.09 -0.37 -4.70 1.61 -0.08 -1.25 -3.30 116.55 108.56 3d4y n ASP 340 Ca 0.00 -1.11 -0.42 0.00 -1.51 0.00 0.00 54.79 51.75 3d4y n ASP 340 Cb 0.00 0.58 -0.03 0.00 2.34 0.00 0.00 41.12 44.01 3d4y n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3d4y s ASP 341 N -1.77 6.68 -1.57 1.67 1.11 -1.26 -1.22 116.67 120.30 3d4y s ASP 341 Ca 0.08 2.41 -0.16 0.00 0.18 0.00 0.00 52.55 55.06 3d4y s ASP 341 Cb -0.00 -2.57 0.12 0.00 1.07 0.00 0.00 42.92 41.54 3d4y s ASP 341 CO 0.00 -0.82 0.79 0.49 1.18 0.00 0.00 175.17 176.81 3d4y n PHE 342 N 5.15 -1.91 -1.83 4.23 3.72 0.15 -4.80 117.46 122.17 3d4y n PHE 342 Ca 0.15 0.76 -0.29 0.00 -0.05 0.00 0.00 57.45 58.02 3d4y n PHE 342 Cb 0.41 -3.22 0.10 0.00 -0.94 0.00 0.00 39.48 35.83 3d4y n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3d4y s ARG 343 N -6.66 1.76 -1.33 -1.08 1.81 -1.17 -4.30 118.95 107.99 3d4y s ARG 343 Ca 0.66 0.13 -0.08 0.00 -1.72 0.00 0.00 55.73 54.72 3d4y s ARG 343 Cb -0.35 -1.93 0.01 0.00 -0.45 0.00 0.00 34.95 32.23 3d4y s ARG 343 CO 0.81 -1.74 1.09 1.19 -0.68 0.00 0.00 175.30 175.97 3d4y n PHE 344 N -3.42 -2.70 -0.09 -0.53 3.72 -1.26 -4.74 117.46 108.44 3d4y n PHE 344 Ca 0.08 0.94 -0.18 0.00 -0.05 0.00 0.00 57.45 58.24 3d4y n PHE 344 Cb 0.61 -4.84 -0.11 0.00 -0.94 0.00 0.00 39.48 34.20 3d4y n PHE 344 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3d4y h LYS 345 N -2.49 0.00 -6.30 -1.08 3.64 -1.89 -3.39 116.57 105.06 3d4y h LYS 345 Ca -0.54 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.27 3d4y h LYS 345 Cb 1.36 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 3d4y h LYS 345 CO 0.54 0.88 -0.06 -0.65 -2.27 0.00 0.00 179.45 177.89 3d4y s GLN 346 N -2.29 4.07 0.30 1.90 1.11 -1.26 -4.25 119.66 119.24 3d4y s GLN 346 Ca -0.24 0.60 0.02 0.00 0.01 0.00 0.00 55.36 55.74 3d4y s GLN 346 Cb 0.03 -3.04 0.57 0.00 -1.01 0.00 0.00 33.01 29.56 3d4y s GLN 346 CO 0.56 0.54 1.87 -0.91 0.01 0.00 0.00 175.29 177.36 3d4y h ASN 347 N 3.93 0.89 0.31 5.90 4.21 -1.95 -0.60 115.58 128.27 3d4y h ASN 347 Ca -0.49 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.01 3d4y h ASN 347 Cb 1.20 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 3d4y h ASN 347 CO 0.65 0.51 -0.21 0.71 -1.29 0.00 0.00 177.43 177.79 3d4y h THR 348 N 0.98 0.97 -0.16 2.81 1.35 -1.99 -1.97 112.91 114.89 3d4y h THR 348 Ca 0.46 -0.78 -0.17 0.00 -0.55 0.00 0.00 66.41 65.37 3d4y h THR 348 Cb 0.42 1.44 0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3d4y h THR 348 CO -0.22 0.21 -0.58 -0.08 -0.25 0.00 0.00 175.52 174.61 3d4y h GLU 349 N 0.00 0.68 -0.60 4.72 4.81 -1.51 -0.78 114.58 121.89 3d4y h GLU 349 Ca -0.00 -0.51 0.07 0.00 -0.13 0.00 0.00 59.36 58.78 3d4y h GLU 349 Cb 0.42 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 3d4y h GLU 349 CO 0.03 1.13 0.29 -1.49 -0.73 0.00 0.00 179.01 178.24 3d4y h TRP 350 N 0.36 0.52 -0.18 0.92 4.06 -1.10 -1.80 115.95 118.73 3d4y h TRP 350 Ca -0.03 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3d4y h TRP 350 Cb 1.20 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3d4y h TRP 350 CO 0.10 0.22 -0.08 -0.44 -3.56 0.00 0.00 178.44 174.68 3d4y h ASP 351 N 0.54 0.37 -0.37 -3.49 3.32 -1.28 -1.45 116.42 114.05 3d4y h ASP 351 Ca 0.28 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3d4y h ASP 351 Cb 0.24 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3d4y h ASP 351 CO -0.22 0.70 -0.02 1.62 -1.72 0.00 0.00 179.24 179.59 3d4y h VAL 352 N 0.05 1.24 0.04 -1.35 3.04 -0.91 -0.23 116.25 118.14 3d4y h VAL 352 Ca 0.04 -1.02 -0.00 0.00 -1.01 0.00 0.00 66.70 64.71 3d4y h VAL 352 Cb 0.55 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3d4y h VAL 352 CO 0.02 0.36 -0.02 1.56 -1.01 0.00 0.00 177.57 178.48 3d4y h GLN 353 N 0.71 -0.05 0.07 4.17 1.08 -1.34 -2.96 115.11 116.78 3d4y h GLN 353 Ca 0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3d4y h GLN 353 Cb 0.47 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3d4y h GLN 353 CO 0.02 0.51 -0.03 -0.09 -0.95 0.00 0.00 178.83 178.29 3d4y h ARG 354 N -0.66 -0.09 -0.39 1.46 2.43 -1.12 -1.78 114.38 114.23 3d4y h ARG 354 Ca -0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3d4y h ARG 354 Cb 0.59 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3d4y h ARG 354 CO 0.01 -0.00 0.12 0.28 -1.51 0.00 0.00 179.97 178.86 3d4y h VAL 355 N -0.15 1.22 -0.72 0.20 2.07 -1.17 0.58 116.25 118.27 3d4y h VAL 355 Ca -0.01 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3d4y h VAL 355 Cb 0.13 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3d4y h VAL 355 CO 0.02 0.25 0.24 0.78 0.02 0.00 0.00 177.57 178.88 3d4y h ASN 356 N 0.49 1.04 -0.18 0.57 2.35 -1.51 -1.25 115.58 117.10 3d4y h ASN 356 Ca 0.13 -0.20 -0.15 0.00 -0.55 0.00 0.00 56.30 55.53 3d4y h ASN 356 Cb 0.27 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3d4y h ASN 356 CO -0.00 0.97 -0.40 1.88 -1.65 0.00 0.00 177.43 178.22 3d4y h TYR 357 N 1.06 0.86 -0.95 1.19 -1.99 -1.13 -2.13 116.97 113.88 3d4y h TYR 357 Ca 0.23 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3d4y h TYR 357 Cb 0.29 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.79 3d4y h TYR 357 CO 0.02 1.00 0.61 0.93 -0.00 0.00 0.00 178.16 180.73 3d4y h GLU 358 N 0.59 1.27 -0.70 4.88 5.08 -0.70 0.18 114.58 125.18 3d4y h GLU 358 Ca 0.05 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3d4y h GLU 358 Cb 0.95 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3d4y h GLU 358 CO 0.09 0.86 0.31 0.00 -1.00 0.00 0.00 179.01 179.26 3d4y h ARG 359 N 1.30 1.03 -0.29 2.33 3.08 -0.82 -0.71 114.38 120.30 3d4y h ARG 359 Ca 0.35 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3d4y h ARG 359 Cb -0.11 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 3d4y h ARG 359 CO -0.07 0.84 0.15 -0.07 -1.07 0.00 0.00 179.97 179.75 3d4y h LEU 360 N 0.99 0.37 -0.55 3.04 3.38 -0.92 -2.57 115.31 119.04 3d4y h LEU 360 Ca 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3d4y h LEU 360 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3d4y h LEU 360 CO -0.02 0.37 0.27 -0.26 0.09 0.00 0.00 178.44 178.88 3d4y h PHE 361 N 0.34 0.79 -0.49 1.13 0.04 -0.33 0.75 116.94 119.18 3d4y h PHE 361 Ca 0.10 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3d4y h PHE 361 Cb 0.09 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 3d4y h PHE 361 CO -0.03 0.61 0.31 1.49 -0.60 0.00 0.00 178.31 180.09 3d4y h GLU 362 N 0.74 0.61 0.10 1.51 4.81 -1.07 -0.36 114.58 120.92 3d4y h GLU 362 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3d4y h GLU 362 Cb 0.11 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3d4y h GLU 362 CO -0.02 0.40 -0.05 1.25 -0.73 0.00 0.00 179.01 179.86 3d4y h HIS 363 N 0.63 -0.12 -0.60 0.92 2.76 -1.06 -2.97 115.15 114.70 3d4y h HIS 363 Ca 0.19 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3d4y h HIS 363 Cb -0.04 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 3d4y h HIS 363 CO -0.05 0.20 0.38 0.82 -1.30 0.00 0.00 177.93 177.98 3d4y h ILE 364 N -0.46 1.17 0.00 6.26 2.04 -0.71 -2.46 117.51 123.35 3d4y h ILE 364 Ca -0.01 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3d4y h ILE 364 Cb 0.38 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3d4y h ILE 364 CO 0.02 0.17 -0.02 0.78 0.00 0.00 0.00 178.15 179.10 3d4y h ASN 365 N 0.81 0.00 0.09 1.72 2.35 -1.11 -2.71 115.58 116.73 3d4y h ASN 365 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3d4y h ASN 365 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3d4y h ASN 365 CO -0.04 0.02 -0.44 -1.54 -1.65 0.00 0.00 177.43 173.77 3d4y n SER 366 N -3.11 1.54 -4.35 5.81 3.41 -0.98 -4.73 113.62 111.20 3d4y n SER 366 Ca 0.02 -1.21 -0.45 0.00 -0.26 0.00 0.00 58.87 56.97 3d4y n SER 366 Cb 0.39 0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.69 3d4y n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3d4y s GLN 367 N -2.55 3.11 0.43 4.33 -1.52 -0.96 -4.92 119.66 117.57 3d4y s GLN 367 Ca 0.19 -1.61 0.18 0.00 -1.95 0.00 0.00 55.36 52.17 3d4y s GLN 367 Cb 0.18 -4.32 1.11 0.00 -0.22 0.00 0.00 33.01 29.76 3d4y s GLN 367 CO 0.58 -1.44 1.86 0.00 -0.25 0.00 0.00 175.29 176.04 3d4y h ALA 368 N 8.91 2.24 -0.00 6.09 0.00 -1.85 -0.03 119.26 134.61 3d4y h ALA 368 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3d4y h ALA 368 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3d4y h ALA 368 CO 1.04 -0.52 0.01 1.12 0.00 0.00 0.00 179.25 180.90 3d4y h HIS 369 N 0.38 0.00 0.03 0.00 2.07 -1.93 -1.25 115.15 114.44 3d4y h HIS 369 Ca 0.46 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.76 3d4y h HIS 369 Cb 1.18 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.14 3d4y h HIS 369 CO -0.00 0.00 -1.05 0.74 -3.07 0.00 0.00 177.93 174.55 3d4y h PHE 370 N 0.00 0.11 -6.35 6.12 0.04 -1.30 -3.48 116.94 112.08 3d4y h PHE 370 Ca 0.00 -0.08 -0.47 0.00 2.80 0.00 0.00 57.97 60.22 3d4y h PHE 370 Cb 0.02 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3d4y h PHE 370 CO 0.00 1.06 -0.84 0.09 -0.60 0.00 0.00 178.31 178.02 3d4y n ASN 371 N -3.40 -1.78 -4.11 2.17 3.02 -0.47 -4.87 115.26 105.82 3d4y n ASN 371 Ca -0.02 -0.90 -0.23 0.00 -0.03 0.00 0.00 54.58 53.40 3d4y n ASN 371 Cb 0.95 -3.52 -0.15 0.00 -0.61 0.00 0.00 39.78 36.45 3d4y n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d4y s VAL 372 N -3.66 1.16 -0.25 2.41 1.01 -1.26 -0.76 120.40 119.04 3d4y s VAL 372 Ca 0.21 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3d4y s VAL 372 Cb -0.11 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.36 3d4y s VAL 372 CO 0.86 0.33 -0.11 -1.58 0.00 0.00 0.00 175.10 174.60 3d4y s GLN 373 N -0.28 2.17 -0.02 2.72 2.00 -0.29 -4.33 119.66 121.64 3d4y s GLN 373 Ca 0.04 -1.24 0.04 0.00 -2.00 0.00 0.00 55.36 52.20 3d4y s GLN 373 Cb -0.06 -2.80 -0.03 0.00 0.80 0.00 0.00 33.01 30.91 3d4y s GLN 373 CO -0.00 -0.55 -0.13 0.00 -0.50 0.00 0.00 175.29 174.11 3d4y s ALA 374 N 1.17 2.74 0.14 1.58 0.00 -1.26 -1.00 121.76 125.13 3d4y s ALA 374 Ca -0.07 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 3d4y s ALA 374 Cb -0.19 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.04 3d4y s ALA 374 CO -0.06 0.57 0.59 1.14 0.00 0.00 0.00 175.76 178.01 3d4y s GLN 375 N -1.07 1.25 0.43 0.00 0.00 -0.57 -4.91 119.66 114.80 3d4y s GLN 375 Ca 0.14 -0.43 -0.25 0.00 -0.00 0.00 0.00 55.36 54.81 3d4y s GLN 375 Cb -0.11 0.58 -0.08 0.00 0.00 0.00 0.00 33.01 33.40 3d4y s GLN 375 CO 0.03 -0.54 1.32 -0.06 0.00 0.00 0.00 175.29 176.04 3d4y s PHE 376 N -3.57 2.70 0.30 9.60 0.08 -1.26 -0.48 117.98 125.35 3d4y s PHE 376 Ca 0.00 1.39 -0.04 0.00 0.12 0.00 0.00 56.93 58.40 3d4y s PHE 376 Cb -0.01 -3.70 -0.00 0.00 -0.57 0.00 0.00 43.02 38.74 3d4y s PHE 376 CO -0.11 -2.27 0.43 0.20 -0.10 0.00 0.00 175.22 173.36 3d4y s GLY 377 N -0.78 1.28 0.42 4.36 0.00 0.52 -4.76 107.32 108.36 3d4y s GLY 377 Ca 0.60 -1.40 0.07 0.00 0.00 0.00 0.00 44.72 43.99 3d4y s GLY 377 CO 0.49 -0.97 0.29 -0.51 0.00 0.00 0.00 173.10 172.40 3d4y s THR 378 N -3.41 2.44 0.19 0.90 -4.23 -1.26 -4.23 115.64 106.03 3d4y s THR 378 Ca 0.30 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 59.20 3d4y s THR 378 Cb 0.00 -2.95 0.10 0.00 1.34 0.00 0.00 72.50 70.99 3d4y s THR 378 CO 0.17 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.20 3d4y h LEU 379 N 1.19 1.03 -1.23 4.79 5.85 -1.96 -2.22 115.31 122.76 3d4y h LEU 379 Ca -0.42 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 57.99 3d4y h LEU 379 Cb 1.26 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3d4y h LEU 379 CO 0.63 1.00 -0.23 -0.61 -0.34 0.00 0.00 178.44 178.89 3d4y h GLN 380 N 1.01 0.24 -0.48 1.25 5.75 -1.96 -1.30 115.11 119.62 3d4y h GLN 380 Ca 0.21 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3d4y h GLN 380 Cb 0.38 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3d4y h GLN 380 CO 0.00 0.46 -0.02 0.93 -2.65 0.00 0.00 178.83 177.56 3d4y h GLU 381 N 0.22 0.81 0.14 1.69 5.08 -1.82 0.11 114.58 120.79 3d4y h GLU 381 Ca 0.04 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3d4y h GLU 381 Cb 0.54 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3d4y h GLU 381 CO 0.04 0.82 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.88 3d4y h TYR 382 N 0.75 -0.17 -0.60 4.33 3.20 -0.92 -1.22 116.97 122.34 3d4y h TYR 382 Ca 0.14 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3d4y h TYR 382 Cb 0.48 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3d4y h TYR 382 CO 0.03 0.12 0.06 0.74 -1.64 0.00 0.00 178.16 177.47 3d4y h PHE 383 N -0.47 1.06 -0.75 -3.82 0.04 -0.93 -0.79 116.94 111.28 3d4y h PHE 383 Ca -0.02 -0.15 0.08 0.00 2.80 0.00 0.00 57.97 60.68 3d4y h PHE 383 Cb 0.37 -0.29 -0.07 0.00 2.20 0.00 0.00 35.95 38.17 3d4y h PHE 383 CO 0.02 0.91 0.41 -0.44 -0.60 0.00 0.00 178.31 178.62 3d4y h ASP 384 N 0.93 0.59 -0.44 2.17 3.32 -0.70 -0.99 116.42 121.30 3d4y h ASP 384 Ca 0.18 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3d4y h ASP 384 Cb 0.45 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3d4y h ASP 384 CO 0.02 0.35 -0.19 0.00 -1.72 0.00 0.00 179.24 177.70 3d4y h ALA 385 N 1.41 0.77 -0.70 3.45 0.00 -0.40 -1.53 119.26 122.26 3d4y h ALA 385 Ca 0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d4y h ALA 385 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3d4y h ALA 385 CO -0.23 0.66 0.33 0.28 0.00 0.00 0.00 179.25 180.30 3d4y h VAL 386 N 0.82 1.23 -0.02 0.00 2.07 -0.68 -1.88 116.25 117.80 3d4y h VAL 386 Ca 0.11 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 3d4y h VAL 386 Cb 0.75 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3d4y h VAL 386 CO 0.06 0.28 -0.58 0.45 0.02 0.00 0.00 177.57 177.80 3d4y h HIS 387 N 0.98 0.07 -0.49 1.57 -0.00 -1.06 -0.69 115.15 115.54 3d4y h HIS 387 Ca 0.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 3d4y h HIS 387 Cb 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 3d4y h HIS 387 CO 0.01 0.62 0.28 1.96 -0.00 0.00 0.00 177.93 180.80 3d4y h GLN 388 N 0.04 0.67 -0.91 2.45 4.20 -1.05 0.79 115.11 121.31 3d4y h GLN 388 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3d4y h GLN 388 Cb 1.04 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 3d4y h GLN 388 CO 0.08 0.51 0.51 0.00 -0.67 0.00 0.00 178.83 179.26 3d4y h ALA 389 N 1.13 1.16 -0.67 3.87 0.00 -0.91 -0.48 119.26 123.36 3d4y h ALA 389 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3d4y h ALA 389 Cb 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3d4y h ALA 389 CO -0.03 0.65 0.27 1.49 0.00 0.00 0.00 179.25 181.64 3d4y h GLU 390 N 1.26 1.00 -0.05 0.00 4.81 -0.90 -0.68 114.58 120.02 3d4y h GLU 390 Ca 0.32 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3d4y h GLU 390 Cb 0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3d4y h GLU 390 CO -0.05 0.83 -0.47 0.00 -0.73 0.00 0.00 179.01 178.59 3d4y h ARG 391 N 0.95 0.11 0.00 1.92 3.08 -0.29 -1.28 114.38 118.87 3d4y h ARG 391 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3d4y h ARG 391 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3d4y h ARG 391 CO -0.02 0.56 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 3d4y n ALA 392 N -2.46 2.38 -1.13 0.04 0.00 -0.24 -4.86 120.51 114.24 3d4y n ALA 392 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 3d4y n ALA 392 Cb 0.50 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3d4y n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d4y n GLY 393 N 0.47 0.68 0.19 0.00 0.00 -0.48 -4.93 105.19 101.12 3d4y n GLY 393 Ca 0.13 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.38 3d4y n GLY 393 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3d4y h GLN 394 N 0.00 0.00 -2.37 1.61 4.15 -1.27 -3.46 115.11 113.76 3d4y h GLN 394 Ca -0.08 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 3d4y h GLN 394 Cb 0.28 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.78 3d4y h GLN 394 CO 0.12 0.00 0.10 0.00 -1.93 0.00 0.00 178.83 177.12 3d4y s ALA 395 N -3.19 -1.53 -0.00 3.38 0.00 -1.26 -4.87 121.76 114.29 3d4y s ALA 395 Ca 0.08 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.08 3d4y s ALA 395 Cb 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3d4y s ALA 395 CO 0.66 -0.41 -0.22 -2.00 0.00 0.00 0.00 175.76 173.79 3d4y s GLU 396 N -1.65 1.70 -0.02 0.00 2.12 -1.26 -4.66 118.70 114.92 3d4y s GLU 396 Ca -0.09 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.41 3d4y s GLU 396 Cb -0.01 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.66 3d4y s GLU 396 CO 0.05 0.46 0.04 -0.06 -0.54 0.00 0.00 175.26 175.21 3d4y s PHE 397 N -0.58 3.20 0.63 5.30 0.08 -1.26 -5.07 117.98 120.28 3d4y s PHE 397 Ca 0.08 0.17 -0.14 0.00 0.12 0.00 0.00 56.93 57.17 3d4y s PHE 397 Cb -0.09 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3d4y s PHE 397 CO -0.00 0.51 1.06 -1.25 -0.10 0.00 0.00 175.22 175.44 3d4y s PRO 398 N -1.48 3.15 0.04 0.24 0.04 -1.26 -4.78 135.00 130.95 3d4y s PRO 398 Ca 0.20 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 3d4y s PRO 398 Cb -0.12 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3d4y s PRO 398 CO 0.10 -0.94 0.25 0.95 0.04 0.00 0.00 177.00 177.41 3d4y s THR 399 N -2.63 5.33 -0.00 1.26 -4.23 -1.26 -0.70 115.64 113.40 3d4y s THR 399 Ca 0.62 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 3d4y s THR 399 Cb -0.16 -3.59 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 3d4y s THR 399 CO 0.43 0.24 0.06 -0.22 -0.54 0.00 0.00 174.62 174.58 3d4y s LEU 400 N -2.17 1.86 0.05 4.79 0.20 -0.50 -1.40 118.68 121.51 3d4y s LEU 400 Ca 0.32 -0.20 -0.00 0.00 0.69 0.00 0.00 54.13 54.94 3d4y s LEU 400 Cb -0.13 0.33 -0.04 0.00 -0.43 0.00 0.00 46.19 45.92 3d4y s LEU 400 CO 0.21 -0.23 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.06 3d4y s SER 401 N -0.95 0.58 0.00 3.68 1.04 -0.44 -0.94 113.70 116.68 3d4y s SER 401 Ca -0.10 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.41 3d4y s SER 401 Cb -0.06 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3d4y s SER 401 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3d4y n GLY 402 N 0.34 0.45 3.66 7.32 0.00 -1.26 -1.10 105.19 114.59 3d4y n GLY 402 Ca -0.15 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.32 3d4y n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d4y s ASP 403 N -3.19 3.64 -0.46 1.61 -4.77 -1.26 -4.34 116.67 107.90 3d4y s ASP 403 Ca 0.00 -1.61 0.08 0.00 -3.30 0.00 0.00 52.55 47.71 3d4y s ASP 403 Cb 0.00 0.38 0.39 0.00 -1.09 0.00 0.00 42.92 42.60 3d4y s ASP 403 CO 0.00 -0.82 0.98 0.49 0.70 0.00 0.00 175.17 176.52 3d4y n PHE 404 N -1.10 2.86 -4.33 2.11 3.72 -0.17 -4.91 117.46 115.64 3d4y n PHE 404 Ca -0.13 -3.47 -0.25 0.00 -0.05 0.00 0.00 57.45 53.55 3d4y n PHE 404 Cb 0.66 -0.31 -0.12 0.00 -0.94 0.00 0.00 39.48 38.77 3d4y n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3d4y s PHE 405 N -3.30 1.93 -0.10 1.38 0.08 -1.26 -2.71 117.98 114.00 3d4y s PHE 405 Ca 0.44 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 3d4y s PHE 405 Cb 0.36 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 3d4y s PHE 405 CO -0.12 0.28 0.28 0.99 -0.10 0.00 0.00 175.22 176.55 3d4y s THR 406 N -1.37 5.28 0.30 0.64 2.01 -1.26 -5.09 115.64 116.14 3d4y s THR 406 Ca 0.11 0.53 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 3d4y s THR 406 Cb -0.09 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 3d4y s THR 406 CO 0.06 0.52 1.16 -0.47 -0.69 0.00 0.00 174.62 175.19 3d4y s TYR 407 N -0.45 3.42 -0.03 4.92 5.04 -1.26 -4.79 117.35 124.19 3d4y s TYR 407 Ca 0.18 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.46 3d4y s TYR 407 Cb -0.14 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.78 3d4y s TYR 407 CO 0.07 -0.92 -0.11 0.00 -1.34 0.00 0.00 175.55 173.24 3d4y s ALA 408 N -1.17 1.06 -0.15 3.97 0.00 -1.26 -0.26 121.76 123.95 3d4y s ALA 408 Ca 0.46 -0.42 0.21 0.00 0.00 0.00 0.00 51.96 52.21 3d4y s ALA 408 Cb -0.34 -0.39 -0.15 0.00 0.00 0.00 0.00 23.12 22.24 3d4y s ALA 408 CO 0.44 0.17 0.76 -0.40 0.00 0.00 0.00 175.76 176.73 3d4y n ASP 409 N 3.32 0.55 -3.51 0.00 5.75 -1.22 -2.83 116.55 118.62 3d4y n ASP 409 Ca -0.19 0.22 -0.11 0.00 -0.01 0.00 0.00 54.79 54.70 3d4y n ASP 409 Cb 0.54 0.87 -0.03 0.00 -1.03 0.00 0.00 41.12 41.47 3d4y n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d4y s ARG 410 N -3.25 0.90 2.25 0.11 1.70 -1.26 -4.77 118.95 114.63 3d4y s ARG 410 Ca -0.04 -0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 3d4y s ARG 410 Cb 0.10 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 3d4y s ARG 410 CO 0.83 -0.36 0.00 0.45 -1.08 0.00 0.00 175.30 175.15 3d4y n SER 411 N 0.12 0.00 -1.89 -2.89 2.88 -1.26 -1.14 113.62 109.44 3d4y n SER 411 Ca -0.12 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.36 3d4y n SER 411 Cb 0.61 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.36 3d4y n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3d4y n ASP 412 N 0.49 4.58 -4.52 -3.46 5.75 -1.26 -4.85 116.55 113.27 3d4y n ASP 412 Ca 0.00 -3.27 -0.43 0.00 -0.01 0.00 0.00 54.79 51.08 3d4y n ASP 412 Cb 0.00 -0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 39.35 3d4y n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3d4y s ASN 413 N -1.21 6.87 0.01 -1.12 0.02 -0.29 -4.97 114.94 114.25 3d4y s ASN 413 Ca 0.54 -2.51 -0.20 0.00 -1.02 0.00 0.00 52.86 49.67 3d4y s ASN 413 Cb 0.44 -2.50 -0.06 0.00 0.02 0.00 0.00 41.25 39.15 3d4y s ASN 413 CO 0.12 -1.04 0.58 -0.31 0.02 0.00 0.00 177.10 176.48 3d4y s TYR 414 N 3.19 3.71 -1.21 2.20 1.51 -1.26 -3.37 117.35 122.13 3d4y s TYR 414 Ca 0.47 1.21 -0.05 0.00 -1.01 0.00 0.00 57.07 57.69 3d4y s TYR 414 Cb 0.00 -2.57 0.20 0.00 -0.11 0.00 0.00 41.96 39.48 3d4y s TYR 414 CO 0.02 0.41 2.01 0.91 -1.11 0.00 0.00 175.55 177.79 3d4y n TRP 415 N 2.47 2.65 0.90 2.71 7.02 0.64 -2.94 117.44 130.89 3d4y n TRP 415 Ca -0.08 -2.72 0.10 0.00 -1.02 0.00 0.00 57.50 53.79 3d4y n TRP 415 Cb 0.51 -1.63 0.03 0.00 -2.42 0.00 0.00 31.31 27.80 3d4y n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3d4y n SER 416 N 1.76 2.22 -0.11 -0.99 3.41 -1.22 -4.42 113.62 114.27 3d4y n SER 416 Ca 0.48 -1.61 -0.06 0.00 -0.26 0.00 0.00 58.87 57.43 3d4y n SER 416 Cb 0.29 0.31 0.13 0.00 -0.26 0.00 0.00 64.21 64.68 3d4y n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3d4y h GLY 417 N 4.32 0.86 1.47 5.00 0.00 -1.26 -2.79 103.07 110.68 3d4y h GLY 417 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3d4y h GLY 417 CO 0.00 0.58 0.00 1.58 0.00 0.00 0.00 176.54 178.70 3d4y n TYR 418 N -4.18 0.00 0.41 5.60 0.18 -1.07 -1.88 117.16 116.22 3d4y n TYR 418 Ca 0.02 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.90 3d4y n TYR 418 Cb 0.35 -0.24 0.45 0.00 -0.38 0.00 0.00 39.34 39.52 3d4y n TYR 418 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3d4y n TYR 419 N -1.24 0.63 0.00 -3.48 4.01 -1.05 -3.85 117.16 112.17 3d4y n TYR 419 Ca 0.14 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 3d4y n TYR 419 Cb 0.20 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 3d4y n TYR 419 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3d4y n THR 420 N -2.07 0.00 -1.61 -0.72 -1.04 -0.79 -2.50 114.28 105.55 3d4y n THR 420 Ca 0.02 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.57 3d4y n THR 420 Cb 0.21 -0.11 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 3d4y n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3d4y n SER 421 N -1.27 1.74 -3.52 8.00 7.64 -0.90 -2.70 113.62 122.61 3d4y n SER 421 Ca 0.00 1.15 -0.24 0.00 1.01 0.00 0.00 58.87 60.79 3d4y n SER 421 Cb 0.15 -1.30 0.05 0.00 -1.01 0.00 0.00 64.21 62.11 3d4y n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d4y n ARG 422 N 1.55 -1.96 0.28 1.43 3.00 -1.26 -4.13 116.66 115.56 3d4y n ARG 422 Ca 0.12 0.63 0.16 0.00 -0.01 0.00 0.00 57.85 58.76 3d4y n ARG 422 Cb 0.28 -4.87 0.74 0.00 0.00 0.00 0.00 32.46 28.61 3d4y n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3d4y h PRO 423 N -1.59 0.00 -0.72 5.56 0.13 -1.83 -2.44 132.00 131.11 3d4y h PRO 423 Ca -0.64 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.53 3d4y h PRO 423 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 3d4y h PRO 423 CO 0.47 0.06 0.45 -0.92 -0.23 0.00 0.00 178.00 177.83 3d4y h TYR 424 N 0.00 0.84 0.00 1.56 3.20 -1.90 -1.22 116.97 119.45 3d4y h TYR 424 Ca -0.00 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 3d4y h TYR 424 Cb 0.44 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3d4y h TYR 424 CO 0.00 0.47 -0.91 0.45 -1.64 0.00 0.00 178.16 176.53 3d4y h HIS 425 N 0.87 0.00 -0.23 -3.82 3.86 -1.81 -1.31 115.15 112.71 3d4y h HIS 425 Ca 0.29 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.54 3d4y h HIS 425 Cb 0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3d4y h HIS 425 CO -0.04 0.91 0.02 0.87 0.86 0.00 0.00 177.93 180.55 3d4y h LYS 426 N 0.00 0.09 -0.55 2.45 1.57 -1.24 -0.76 116.57 118.12 3d4y h LYS 426 Ca -0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3d4y h LYS 426 Cb 1.67 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 3d4y h LYS 426 CO 0.12 0.06 0.16 -0.09 -0.57 0.00 0.00 179.45 179.13 3d4y h ARG 427 N 0.10 0.87 -0.49 3.15 9.65 -1.12 -3.01 114.38 123.53 3d4y h ARG 427 Ca 0.11 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3d4y h ARG 427 Cb 0.12 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3d4y h ARG 427 CO -0.16 0.80 0.33 1.98 2.80 0.00 0.00 179.97 185.72 3d4y h MET 428 N 0.78 0.60 -0.44 0.20 4.05 -0.98 -2.04 114.93 117.10 3d4y h MET 428 Ca 0.18 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.64 3d4y h MET 428 Cb 0.31 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 30.90 3d4y h MET 428 CO -0.00 0.40 0.05 0.22 0.23 0.00 0.00 176.91 177.80 3d4y h ASP 429 N 0.62 -0.09 0.47 1.39 3.58 -1.00 -0.18 116.42 121.20 3d4y h ASP 429 Ca 0.19 0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 3d4y h ASP 429 Cb -0.01 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3d4y h ASP 429 CO -0.04 -0.01 -0.58 0.03 -2.88 0.00 0.00 179.24 175.76 3d4y h ARG 430 N 0.17 0.12 -0.00 0.28 2.47 -1.36 0.46 114.38 116.50 3d4y h ARG 430 Ca 0.22 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3d4y h ARG 430 Cb 0.30 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3d4y h ARG 430 CO -0.33 0.66 -0.00 0.28 0.56 0.00 0.00 179.97 181.15 3d4y h VAL 431 N 0.09 1.31 -0.91 2.04 2.07 -0.89 -2.63 116.25 117.34 3d4y h VAL 431 Ca -0.00 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3d4y h VAL 431 Cb 1.05 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 3d4y h VAL 431 CO 0.08 0.24 0.54 0.25 0.02 0.00 0.00 177.57 178.69 3d4y h LEU 432 N -0.38 1.10 -0.60 2.57 5.85 -0.87 -1.48 115.31 121.49 3d4y h LEU 432 Ca 0.00 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.77 3d4y h LEU 432 Cb 0.39 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 3d4y h LEU 432 CO 0.00 0.85 0.10 -0.03 -0.34 0.00 0.00 178.44 179.02 3d4y h MET 433 N 1.25 0.22 -0.28 1.25 4.05 -0.80 0.12 114.93 120.75 3d4y h MET 433 Ca 0.32 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.59 3d4y h MET 433 Cb -0.04 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.71 3d4y h MET 433 CO -0.06 0.15 -0.37 1.25 0.23 0.00 0.00 176.91 178.11 3d4y h HIS 434 N 0.23 0.92 -0.12 1.39 -0.00 -0.98 -2.61 115.15 113.98 3d4y h HIS 434 Ca 0.32 -0.30 -0.12 0.00 -0.00 0.00 0.00 60.37 60.27 3d4y h HIS 434 Cb 0.48 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 3d4y h HIS 434 CO -0.27 1.07 -0.47 1.88 -0.00 0.00 0.00 177.93 180.15 3d4y h TYR 435 N 0.50 0.35 -0.28 5.26 0.05 -0.74 0.57 116.97 122.68 3d4y h TYR 435 Ca 0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3d4y h TYR 435 Cb 0.96 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 3d4y h TYR 435 CO 0.08 0.71 0.13 0.28 -1.05 0.00 0.00 178.16 178.30 3d4y h VAL 436 N 0.24 1.16 -0.17 -2.88 2.07 -0.76 -0.11 116.25 115.79 3d4y h VAL 436 Ca 0.01 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3d4y h VAL 436 Cb 0.92 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3d4y h VAL 436 CO 0.08 0.16 0.03 -0.09 0.02 0.00 0.00 177.57 177.76 3d4y h ARG 437 N 0.31 0.10 -0.58 1.57 2.43 -1.13 -0.92 114.38 116.16 3d4y h ARG 437 Ca 0.09 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3d4y h ARG 437 Cb 0.13 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3d4y h ARG 437 CO -0.01 0.06 0.32 0.00 -1.51 0.00 0.00 179.97 178.84 3d4y h ALA 438 N 1.12 0.74 -0.52 2.80 0.00 -0.76 -0.69 119.26 121.96 3d4y h ALA 438 Ca 0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3d4y h ALA 438 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3d4y h ALA 438 CO -0.10 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.26 3d4y h ALA 439 N 1.15 0.71 -0.51 0.00 0.00 -0.83 0.68 119.26 120.47 3d4y h ALA 439 Ca 0.21 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3d4y h ALA 439 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d4y h ALA 439 CO -0.03 0.65 0.07 0.93 0.00 0.00 0.00 179.25 180.86 3d4y h GLU 440 N 0.87 0.85 0.06 0.00 5.08 -1.00 -1.84 114.58 118.61 3d4y h GLU 440 Ca 0.13 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3d4y h GLU 440 Cb 0.71 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3d4y h GLU 440 CO 0.05 0.85 -0.03 1.98 -1.00 0.00 0.00 179.01 180.86 3d4y h MET 441 N 0.73 -0.08 -0.83 2.33 4.05 -1.05 -2.21 114.93 117.86 3d4y h MET 441 Ca 0.15 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.63 3d4y h MET 441 Cb 0.42 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.19 3d4y h MET 441 CO 0.01 0.28 0.55 -0.07 0.23 0.00 0.00 176.91 177.91 3d4y h LEU 442 N -0.46 0.84 0.00 3.39 3.38 -0.86 -1.92 115.31 119.67 3d4y h LEU 442 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d4y h LEU 442 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3d4y h LEU 442 CO 0.01 0.56 -0.38 -1.54 0.09 0.00 0.00 178.44 177.18 3d4y n SER 443 N -4.47 0.47 0.23 -0.43 3.41 -0.69 -3.79 113.62 108.36 3d4y n SER 443 Ca 0.12 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 3d4y n SER 443 Cb 0.17 -0.03 0.49 0.00 -0.26 0.00 0.00 64.21 64.58 3d4y n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d4y h ALA 444 N 2.82 1.00 0.00 7.33 0.00 -0.68 -3.18 119.26 126.55 3d4y h ALA 444 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3d4y h ALA 444 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3d4y h ALA 444 CO 0.00 0.20 -0.19 -1.49 0.00 0.00 0.00 179.25 177.77 3d4y h TRP 445 N 0.00 0.00 -1.95 0.00 4.06 -1.66 -3.44 115.95 112.97 3d4y h TRP 445 Ca -0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 3d4y h TRP 445 Cb 0.72 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.75 3d4y h TRP 445 CO 0.00 0.19 -0.66 -1.01 -3.56 0.00 0.00 178.44 173.40 3d4y s HIS 446 N -4.47 2.39 0.10 0.49 3.76 -1.20 -5.06 115.29 111.29 3d4y s HIS 446 Ca -0.04 -0.55 -0.14 0.00 -0.15 0.00 0.00 55.06 54.19 3d4y s HIS 446 Cb 0.15 -1.44 -0.06 0.00 1.11 0.00 0.00 32.58 32.34 3d4y s HIS 446 CO 0.67 0.53 0.49 0.45 -0.85 0.00 0.00 174.74 176.03 3d4y s SER 447 N -3.61 6.80 -0.05 1.40 0.15 -1.26 -5.00 113.70 112.12 3d4y s SER 447 Ca 0.33 1.00 0.06 0.00 0.70 0.00 0.00 55.95 58.04 3d4y s SER 447 Cb 0.04 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3d4y s SER 447 CO 0.16 0.17 -0.23 0.26 1.20 0.00 0.00 173.24 174.80 3d4y s TRP 448 N -1.35 2.47 0.32 3.44 0.52 -1.26 -5.05 118.94 118.03 3d4y s TRP 448 Ca 0.33 -0.61 -0.27 0.00 0.02 0.00 0.00 56.10 55.58 3d4y s TRP 448 Cb -0.15 -1.60 -0.13 0.00 -1.15 0.00 0.00 33.47 30.44 3d4y s TRP 448 CO 0.18 -0.14 1.00 -3.47 0.02 0.00 0.00 176.95 174.54 3d4y n ASP 449 N 2.82 1.25 -0.20 2.95 2.03 -1.26 -4.36 116.55 119.78 3d4y n ASP 449 Ca -0.17 1.14 0.26 0.00 0.52 0.00 0.00 54.79 56.54 3d4y n ASP 449 Cb 0.52 -1.30 0.66 0.00 -0.72 0.00 0.00 41.12 40.28 3d4y n ASP 449 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3d4y h GLY 450 N 1.87 0.27 2.00 0.27 0.00 -2.00 -1.23 103.07 104.25 3d4y h GLY 450 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d4y h GLY 450 CO 0.59 -0.01 0.00 -0.33 0.00 0.00 0.00 176.54 176.80 3d4y h MET 451 N 0.12 0.00 0.00 4.80 2.86 -2.05 -1.96 114.93 118.70 3d4y h MET 451 Ca 0.44 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.07 3d4y h MET 451 Cb 1.56 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.22 3d4y h MET 451 CO -0.06 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.85 3d4y h ALA 452 N 2.00 1.01 -2.40 6.32 0.00 -1.57 -3.47 119.26 121.16 3d4y h ALA 452 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.47 3d4y h ALA 452 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3d4y h ALA 452 CO 0.00 0.07 -0.47 0.54 0.00 0.00 0.00 179.25 179.39 3d4y n ARG 453 N -3.18 -1.52 0.06 0.00 1.74 -0.74 -4.90 116.66 108.12 3d4y n ARG 453 Ca 0.00 1.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.95 3d4y n ARG 453 Cb 0.34 -5.53 -0.09 0.00 -1.02 0.00 0.00 32.46 26.16 3d4y n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3d4y h ILE 454 N 0.00 1.07 -0.86 0.55 1.08 -1.84 -1.58 117.51 115.92 3d4y h ILE 454 Ca -0.45 -0.75 0.05 0.00 -0.39 0.00 0.00 64.86 63.32 3d4y h ILE 454 Cb 1.33 1.54 -0.06 0.00 -3.07 0.00 0.00 36.82 36.56 3d4y h ILE 454 CO 0.55 0.18 0.55 -0.33 -0.69 0.00 0.00 178.15 178.41 3d4y h GLU 455 N -0.50 1.00 -0.11 2.37 3.07 -1.94 0.46 114.58 118.92 3d4y h GLU 455 Ca -0.02 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3d4y h GLU 455 Cb 0.41 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3d4y h GLU 455 CO 0.02 0.66 0.07 1.49 -1.40 0.00 0.00 179.01 179.85 3d4y h GLU 456 N 1.03 0.15 -0.57 2.33 4.81 -1.93 0.63 114.58 121.03 3d4y h GLU 456 Ca 0.36 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.49 3d4y h GLU 456 Cb 0.09 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3d4y h GLU 456 CO -0.15 0.12 -0.01 0.00 -0.73 0.00 0.00 179.01 178.24 3d4y h ARG 457 N 0.13 1.00 -0.50 1.92 -0.00 -0.77 -1.81 114.38 114.35 3d4y h ARG 457 Ca 0.04 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.98 59.09 3d4y h ARG 457 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 3d4y h ARG 457 CO -0.01 1.00 -0.12 -0.07 0.00 0.00 0.00 179.97 180.78 3d4y h LEU 458 N 0.89 0.98 -0.58 3.04 3.38 -0.75 -1.04 115.31 121.23 3d4y h LEU 458 Ca 0.16 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3d4y h LEU 458 Cb 0.55 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3d4y h LEU 458 CO 0.03 1.11 0.38 -0.08 0.09 0.00 0.00 178.44 179.97 3d4y h GLU 459 N 0.83 0.77 -0.38 1.13 4.81 -0.75 0.09 114.58 121.09 3d4y h GLU 459 Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3d4y h GLU 459 Cb 0.68 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3d4y h GLU 459 CO 0.05 0.51 0.20 0.37 -0.73 0.00 0.00 179.01 179.41 3d4y h GLN 460 N 0.79 0.53 -0.41 1.92 4.15 -1.08 -0.61 115.11 120.39 3d4y h GLN 460 Ca 0.21 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3d4y h GLN 460 Cb -0.09 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 3d4y h GLN 460 CO -0.05 0.44 0.18 0.00 -1.93 0.00 0.00 178.83 177.48 3d4y h ALA 461 N 1.06 0.53 -0.74 3.38 0.00 -0.84 -1.26 119.26 121.39 3d4y h ALA 461 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3d4y h ALA 461 Cb 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3d4y h ALA 461 CO -0.02 0.12 0.37 0.00 0.00 0.00 0.00 179.25 179.72 3d4y h ARG 462 N 0.52 1.05 0.00 0.00 3.08 -0.81 -1.13 114.38 117.10 3d4y h ARG 462 Ca 0.14 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3d4y h ARG 462 Cb 0.16 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3d4y h ARG 462 CO -0.01 0.80 -0.67 0.00 -1.07 0.00 0.00 179.97 179.01 3d4y h ARG 463 N 1.05 0.00 -0.03 0.04 3.08 -0.73 0.95 114.38 118.74 3d4y h ARG 463 Ca 0.26 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.11 3d4y h ARG 463 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 3d4y h ARG 463 CO -0.04 0.67 -0.76 0.93 -1.07 0.00 0.00 179.97 179.71 3d4y h GLU 464 N 0.00 0.57 -0.67 0.04 4.39 -0.96 0.26 114.58 118.21 3d4y h GLU 464 Ca -0.01 -0.57 -0.05 0.00 0.34 0.00 0.00 59.36 59.07 3d4y h GLU 464 Cb 1.21 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.99 3d4y h GLU 464 CO 0.09 1.19 0.21 1.25 -1.16 0.00 0.00 179.01 180.59 3d4y h LEU 465 N 0.16 0.97 -0.36 1.33 5.85 -1.13 -2.38 115.31 119.75 3d4y h LEU 465 Ca -0.09 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3d4y h LEU 465 Cb 1.43 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3d4y h LEU 465 CO 0.15 0.92 0.24 0.28 -0.34 0.00 0.00 178.44 179.68 3d4y h SER 466 N 0.97 0.42 -0.87 1.25 0.02 -0.73 -2.39 113.55 112.21 3d4y h SER 466 Ca 0.22 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.24 3d4y h SER 466 Cb 0.29 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 3d4y h SER 466 CO -0.01 0.31 0.52 0.25 -1.14 0.00 0.00 176.83 176.76 3d4y h LEU 467 N 0.49 0.77 -1.14 5.07 5.85 -0.69 -1.83 115.31 123.82 3d4y h LEU 467 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3d4y h LEU 467 Cb -0.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3d4y h LEU 467 CO -0.03 0.45 0.00 0.15 -0.34 0.00 0.00 178.44 178.67 3d4y h PHE 468 N 0.88 0.00 0.00 1.25 3.57 -0.91 -1.61 116.94 120.12 3d4y h PHE 468 Ca 0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.91 3d4y h PHE 468 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3d4y h PHE 468 CO -0.04 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.08 3d4y n GLN 469 N -2.46 0.20 -1.48 1.11 1.13 -0.69 -0.82 117.38 114.36 3d4y n GLN 469 Ca 0.01 0.14 -0.38 0.00 -1.94 0.00 0.00 57.00 54.82 3d4y n GLN 469 Cb 0.20 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.08 3d4y n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3d4y n HIS 470 N -1.33 -0.48 1.13 1.08 -0.00 -0.61 -0.55 115.22 114.46 3d4y n HIS 470 Ca 0.07 0.46 0.09 0.00 -0.00 0.00 0.00 57.72 58.34 3d4y n HIS 470 Cb 0.16 -1.98 0.52 0.00 -0.00 0.00 0.00 29.99 28.69 3d4y n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3d4y n HIS 471 N -1.58 0.00 -0.60 1.57 1.44 -1.15 -0.29 115.22 114.62 3d4y n HIS 471 Ca 0.12 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.89 3d4y n HIS 471 Cb 0.46 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.68 3d4y n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3d4y n ASP 472 N -0.99 2.44 0.00 4.39 8.00 -1.26 -4.62 116.55 124.51 3d4y n ASP 472 Ca 0.13 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 53.04 3d4y n ASP 472 Cb 0.06 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3d4y n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4y n GLY 473 N -0.83 0.26 0.33 0.44 0.00 0.60 -3.42 105.19 102.57 3d4y n GLY 473 Ca 0.10 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.31 3d4y n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d4y h ILE 474 N 0.00 0.24 0.00 -0.61 2.10 -0.97 -1.01 117.51 117.26 3d4y h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3d4y h ILE 474 Cb 0.00 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 3d4y h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3d4y h THR 475 N 0.00 0.00 -1.02 2.19 1.35 -1.82 -3.43 112.91 110.18 3d4y h THR 475 Ca 0.03 -0.46 -0.16 0.00 -0.55 0.00 0.00 66.41 65.27 3d4y h THR 475 Cb 0.32 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 3d4y h THR 475 CO -0.00 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 175.68 3d4y n GLY 476 N 0.06 0.19 1.49 5.82 0.00 -0.38 -4.45 105.19 107.92 3d4y n GLY 476 Ca 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 3d4y n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d4y n THR 477 N -3.82 2.68 -3.50 2.61 -2.24 -1.25 -4.60 114.28 104.15 3d4y n THR 477 Ca -0.09 -2.00 -0.20 0.00 -2.27 0.00 0.00 64.05 59.49 3d4y n THR 477 Cb 0.52 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 3d4y n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d4y s ALA 478 N -3.03 4.14 0.70 6.98 0.00 -1.22 -4.92 121.76 124.41 3d4y s ALA 478 Ca 0.49 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 3d4y s ALA 478 Cb 0.41 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 22.17 3d4y s ALA 478 CO 0.09 -0.11 1.15 0.15 0.00 0.00 0.00 175.76 177.04 3d4y s LYS 479 N -4.15 2.44 0.25 0.00 1.02 -0.16 -4.69 119.74 114.45 3d4y s LYS 479 Ca 0.46 1.53 -0.06 0.00 0.02 0.00 0.00 55.97 57.93 3d4y s LYS 479 Cb -0.07 -1.89 0.46 0.00 -0.52 0.00 0.00 37.83 35.80 3d4y s LYS 479 CO 0.29 -1.56 1.66 1.15 -0.92 0.00 0.00 175.35 175.98 3d4y h THR 480 N -0.23 0.42 0.00 2.17 2.02 -1.93 0.41 112.91 115.78 3d4y h THR 480 Ca -0.47 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3d4y h THR 480 Cb 1.27 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3d4y h THR 480 CO 0.52 0.03 -0.08 1.12 0.37 0.00 0.00 175.52 177.48 3d4y h HIS 481 N 0.18 0.00 0.05 3.16 2.07 -1.96 -1.59 115.15 117.05 3d4y h HIS 481 Ca 0.42 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.77 3d4y h HIS 481 Cb 0.74 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.73 3d4y h HIS 481 CO -0.34 0.08 -0.69 0.28 -3.07 0.00 0.00 177.93 174.20 3d4y h VAL 482 N 0.00 1.45 -0.67 6.12 2.07 -1.32 -2.34 116.25 121.56 3d4y h VAL 482 Ca -0.00 -2.24 0.10 0.00 0.82 0.00 0.00 66.70 65.38 3d4y h VAL 482 Cb 0.65 2.80 -0.08 0.00 -1.52 0.00 0.00 31.29 33.14 3d4y h VAL 482 CO 0.01 0.65 0.29 0.58 0.02 0.00 0.00 177.57 179.11 3d4y h VAL 483 N -0.18 0.78 -0.84 2.57 2.07 -0.73 -1.37 116.25 118.54 3d4y h VAL 483 Ca -0.10 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3d4y h VAL 483 Cb 1.44 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3d4y h VAL 483 CO 0.13 0.09 0.55 0.58 0.02 0.00 0.00 177.57 178.94 3d4y h VAL 484 N 0.48 1.21 -0.30 2.57 2.07 -1.28 -0.48 116.25 120.51 3d4y h VAL 484 Ca 0.34 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3d4y h VAL 484 Cb 0.42 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3d4y h VAL 484 CO -0.31 0.21 0.17 -0.78 0.02 0.00 0.00 177.57 176.88 3d4y h ASP 485 N 1.13 0.28 -0.75 0.57 3.58 -0.75 0.52 116.42 120.98 3d4y h ASP 485 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 3d4y h ASP 485 Cb -0.12 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 3d4y h ASP 485 CO -0.07 0.20 0.48 1.88 -2.88 0.00 0.00 179.24 178.85 3d4y h TYR 486 N 0.35 0.96 -0.20 0.28 0.05 -0.90 -0.99 116.97 116.54 3d4y h TYR 486 Ca 0.12 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3d4y h TYR 486 Cb 0.00 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 3d4y h TYR 486 CO -0.08 0.62 0.10 1.49 -1.05 0.00 0.00 178.16 179.24 3d4y h GLU 487 N 1.02 0.28 -0.87 4.88 4.81 -0.62 -0.02 114.58 124.06 3d4y h GLU 487 Ca 0.27 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3d4y h GLU 487 Cb -0.09 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3d4y h GLU 487 CO -0.06 0.30 0.52 1.96 -0.73 0.00 0.00 179.01 181.00 3d4y h GLN 488 N 0.20 1.19 -0.74 1.92 4.20 -0.70 0.68 115.11 121.87 3d4y h GLN 488 Ca 0.07 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3d4y h GLN 488 Cb 0.11 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3d4y h GLN 488 CO -0.01 0.84 0.23 0.00 -0.67 0.00 0.00 178.83 179.23 3d4y h ARG 489 N 1.20 1.14 -0.12 1.46 3.08 -0.90 -1.43 114.38 118.82 3d4y h ARG 489 Ca 0.31 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 3d4y h ARG 489 Cb -0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3d4y h ARG 489 CO -0.06 0.96 -0.54 0.52 -1.07 0.00 0.00 179.97 179.79 3d4y h MET 490 N 1.09 0.33 -0.11 0.04 2.86 -0.58 -1.44 114.93 117.13 3d4y h MET 490 Ca 0.24 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3d4y h MET 490 Cb 0.30 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3d4y h MET 490 CO -0.01 0.79 0.02 1.96 1.06 0.00 0.00 176.91 180.74 3d4y h GLN 491 N 0.26 0.07 -0.88 1.72 1.08 -0.51 -0.86 115.11 115.99 3d4y h GLN 491 Ca 0.00 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 3d4y h GLN 491 Cb 1.03 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 3d4y h GLN 491 CO 0.09 0.05 0.56 0.93 -0.95 0.00 0.00 178.83 179.50 3d4y h GLU 492 N 0.07 1.00 -0.68 1.46 4.39 -0.87 -1.49 114.58 118.46 3d4y h GLU 492 Ca 0.05 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3d4y h GLU 492 Cb 0.04 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 3d4y h GLU 492 CO -0.06 0.66 0.36 0.00 -1.16 0.00 0.00 179.01 178.81 3d4y h ALA 493 N 1.40 0.88 -0.33 3.43 0.00 -0.85 -0.26 119.26 123.52 3d4y h ALA 493 Ca 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3d4y h ALA 493 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d4y h ALA 493 CO -0.16 0.41 0.16 -0.07 0.00 0.00 0.00 179.25 179.59 3d4y h LEU 494 N 0.94 0.43 -1.21 0.00 3.38 -0.57 -0.94 115.31 117.34 3d4y h LEU 494 Ca 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3d4y h LEU 494 Cb 0.06 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3d4y h LEU 494 CO -0.04 0.43 0.45 0.11 0.09 0.00 0.00 178.44 179.48 3d4y h LYS 495 N 0.40 0.98 -0.43 1.13 1.57 -0.98 0.16 116.57 119.41 3d4y h LYS 495 Ca 0.11 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3d4y h LYS 495 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3d4y h LYS 495 CO -0.01 0.68 0.04 0.00 -0.57 0.00 0.00 179.45 179.59 3d4y h ALA 496 N 1.49 0.57 -0.54 3.86 0.00 -0.45 -1.43 119.26 122.77 3d4y h ALA 496 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3d4y h ALA 496 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3d4y h ALA 496 CO -0.05 0.32 0.29 0.00 0.00 0.00 0.00 179.25 179.81 3d4y h GLN 498 N 0.72 0.70 -0.01 0.00 4.15 -0.65 0.59 115.11 120.61 3d4y h GLN 498 Ca 0.19 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3d4y h GLN 498 Cb 0.06 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 3d4y h GLN 498 CO -0.03 0.46 0.01 1.98 -1.93 0.00 0.00 178.83 179.32 3d4y h MET 499 N 0.72 0.01 -0.61 1.69 4.05 -0.83 -0.11 114.93 119.84 3d4y h MET 499 Ca 0.23 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 3d4y h MET 499 Cb 0.01 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 3d4y h MET 499 CO -0.09 0.02 0.36 0.28 0.23 0.00 0.00 176.91 177.70 3d4y h VAL 500 N 0.00 1.19 -0.34 -5.77 2.07 -1.04 -2.16 116.25 110.19 3d4y h VAL 500 Ca 0.00 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3d4y h VAL 500 Cb 0.01 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3d4y h VAL 500 CO -0.00 0.20 0.06 0.24 0.02 0.00 0.00 177.57 178.08 3d4y h MET 501 N 0.83 0.57 -0.16 1.57 2.07 -0.55 -1.32 114.93 117.95 3d4y h MET 501 Ca 0.22 -0.15 -0.13 0.00 -2.07 0.00 0.00 59.70 57.57 3d4y h MET 501 Cb 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.66 3d4y h MET 501 CO -0.04 0.65 -0.47 -0.56 1.07 0.00 0.00 176.91 177.56 3d4y h GLN 502 N 0.40 0.39 -0.51 1.72 -0.00 -0.91 0.14 115.11 116.35 3d4y h GLN 502 Ca 0.10 -0.21 -0.12 0.00 -0.00 0.00 0.00 58.65 58.42 3d4y h GLN 502 Cb 0.35 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.83 3d4y h GLN 502 CO 0.01 0.78 -0.16 1.96 -0.00 0.00 0.00 178.83 181.42 3d4y h GLN 503 N 0.32 0.99 -0.22 0.06 1.08 -1.27 -1.66 115.11 114.42 3d4y h GLN 503 Ca 0.02 -0.39 -0.01 0.00 -1.45 0.00 0.00 58.65 56.82 3d4y h GLN 503 Cb 0.94 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 3d4y h GLN 503 CO 0.08 1.07 0.09 0.77 -0.95 0.00 0.00 178.83 179.88 3d4y h SER 504 N 0.87 0.30 -0.36 1.46 0.02 -0.73 -2.06 113.55 113.06 3d4y h SER 504 Ca 0.13 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3d4y h SER 504 Cb 0.73 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 3d4y h SER 504 CO 0.06 0.39 0.17 0.58 -1.14 0.00 0.00 176.83 176.88 3d4y h VAL 505 N 0.20 0.96 -0.59 2.27 2.07 -0.86 -0.09 116.25 120.22 3d4y h VAL 505 Ca 0.07 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.55 3d4y h VAL 505 Cb 0.18 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3d4y h VAL 505 CO -0.01 0.06 0.26 0.22 0.02 0.00 0.00 177.57 178.12 3d4y h TYR 506 N 0.34 0.46 -0.34 1.57 3.20 -1.17 -1.38 116.97 119.65 3d4y h TYR 506 Ca 0.15 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3d4y h TYR 506 Cb 0.08 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3d4y h TYR 506 CO -0.11 0.17 -0.29 -0.09 -1.64 0.00 0.00 178.16 176.20 3d4y h ARG 507 N 0.47 0.71 0.00 1.82 2.43 -0.91 -2.67 114.38 116.22 3d4y h ARG 507 Ca 0.28 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3d4y h ARG 507 Cb 0.29 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3d4y h ARG 507 CO -0.25 0.91 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.89 3d4y h LEU 508 N 0.61 0.00 -3.02 3.80 3.38 -0.56 -3.31 115.31 116.21 3d4y h LEU 508 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3d4y h LEU 508 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3d4y h LEU 508 CO 0.07 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.94 3d4y n LEU 509 N -3.18 2.43 -4.28 1.67 4.77 -0.56 -4.83 117.00 113.01 3d4y n LEU 509 Ca 0.02 -2.80 -0.32 0.00 -0.03 0.00 0.00 56.01 52.89 3d4y n LEU 509 Cb 0.52 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 3d4y n LEU 509 CO 0.34 0.66 -0.55 -0.89 -1.33 0.00 0.00 177.39 175.62 3d4y s THR 510 N -2.38 2.20 0.05 -5.08 2.01 -1.01 -0.45 115.64 110.96 3d4y s THR 510 Ca 0.25 -1.01 -0.37 0.00 0.31 0.00 0.00 61.69 60.88 3d4y s THR 510 Cb 0.22 -1.82 -0.16 0.00 0.01 0.00 0.00 72.50 70.75 3d4y s THR 510 CO 0.03 0.57 1.40 1.17 -0.69 0.00 0.00 174.62 177.10 3d4y n LYS 511 N 3.04 1.18 -0.22 4.92 4.81 -0.17 -4.71 118.16 127.01 3d4y n LYS 511 Ca -0.18 0.43 0.11 0.00 -0.87 0.00 0.00 58.31 57.80 3d4y n LYS 511 Cb 0.52 -2.08 0.39 0.00 0.02 0.00 0.00 35.03 33.89 3d4y n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3d4y h PRO 512 N 4.93 0.64 0.00 1.64 0.11 -1.92 0.21 132.00 137.61 3d4y h PRO 512 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3d4y h PRO 512 Cb 1.33 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d4y h PRO 512 CO 0.80 0.42 0.00 -1.13 -0.21 0.00 0.00 178.00 177.89 3d4y n SER 513 N -4.52 0.00 -0.01 -2.05 3.41 -1.26 -2.99 113.62 106.20 3d4y n SER 513 Ca 0.15 -0.17 0.01 0.00 -0.26 0.00 0.00 58.87 58.59 3d4y n SER 513 Cb 0.40 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3d4y n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3d4y n ILE 514 N -1.24 0.13 -1.66 -1.33 5.41 -0.07 -4.99 119.36 115.61 3d4y n ILE 514 Ca 0.13 -0.18 -0.49 0.00 1.00 0.00 0.00 62.75 63.21 3d4y n ILE 514 Cb 0.17 -0.03 -0.05 0.00 -0.71 0.00 0.00 39.64 39.03 3d4y n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3d4y n TYR 515 N -1.88 2.22 -3.31 1.39 9.36 -0.42 -4.91 117.16 119.61 3d4y n TYR 515 Ca -0.04 0.05 -0.25 0.00 3.32 0.00 0.00 57.90 60.98 3d4y n TYR 515 Cb 0.33 -2.64 -0.08 0.00 -0.63 0.00 0.00 39.34 36.32 3d4y n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3d4y n SER 516 N 7.22 0.43 -4.76 2.98 2.88 -1.26 -5.04 113.62 116.07 3d4y n SER 516 Ca 0.25 -2.69 -0.41 0.00 -1.33 0.00 0.00 58.87 54.70 3d4y n SER 516 Cb 0.29 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 3d4y n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3d4y s PRO 517 N -0.93 4.45 -0.24 -1.46 0.04 -1.26 -5.02 135.00 130.57 3d4y s PRO 517 Ca 0.34 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.40 3d4y s PRO 517 Cb 0.12 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3d4y s PRO 517 CO -0.13 -0.07 0.02 0.34 0.04 0.00 0.00 177.00 177.20 3d4y s ASP 518 N -0.51 4.77 0.00 6.66 -1.08 -1.26 -5.03 116.67 120.22 3d4y s ASP 518 Ca 0.48 -0.35 0.27 0.00 -0.52 0.00 0.00 52.55 52.43 3d4y s ASP 518 Cb -0.37 -1.84 1.41 0.00 -1.46 0.00 0.00 42.92 40.66 3d4y s ASP 518 CO 0.48 -0.05 1.93 0.49 0.52 0.00 0.00 175.17 178.54 3d4y n PHE 519 N 4.86 0.00 0.67 -5.34 3.72 -1.26 -1.80 117.46 118.31 3d4y n PHE 519 Ca -0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.33 3d4y n PHE 519 Cb 0.51 -0.24 0.11 0.00 -0.94 0.00 0.00 39.48 38.92 3d4y n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3d4y n SER 520 N -1.24 2.84 -4.89 4.37 3.41 -1.26 -4.99 113.62 111.85 3d4y n SER 520 Ca 0.14 -1.87 -0.32 0.00 -0.26 0.00 0.00 58.87 56.56 3d4y n SER 520 Cb 0.19 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 3d4y n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3d4y s PHE 521 N -1.58 3.50 -0.52 7.33 5.36 -0.75 -5.06 117.98 126.27 3d4y s PHE 521 Ca 0.26 0.56 -0.17 0.00 -0.96 0.00 0.00 56.93 56.62 3d4y s PHE 521 Cb 0.18 -2.00 0.09 0.00 -0.34 0.00 0.00 43.02 40.95 3d4y s PHE 521 CO 0.26 0.48 0.51 -1.12 -1.46 0.00 0.00 175.22 173.89 3d4y s SER 522 N -2.26 6.18 0.10 6.13 0.01 -1.26 -4.90 113.70 117.69 3d4y s SER 522 Ca 0.38 -1.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.18 3d4y s SER 522 Cb -0.13 -2.23 -0.22 0.00 0.21 0.00 0.00 66.02 63.66 3d4y s SER 522 CO 0.23 -0.82 1.20 1.88 0.41 0.00 0.00 173.24 176.14 3d4y h TYR 523 N 8.90 0.50 -3.93 2.43 0.05 -1.95 -3.43 116.97 119.54 3d4y h TYR 523 Ca -0.29 -0.33 -0.29 0.00 0.05 0.00 0.00 58.73 57.87 3d4y h TYR 523 Cb 1.10 -0.03 -0.20 0.00 1.01 0.00 0.00 36.73 38.61 3d4y h TYR 523 CO 0.71 1.22 -0.73 -0.06 -1.05 0.00 0.00 178.16 178.25 3d4y s PHE 524 N -2.84 0.79 0.05 4.88 0.40 -1.26 -0.28 117.98 119.71 3d4y s PHE 524 Ca -0.04 -0.56 0.06 0.00 -0.60 0.00 0.00 56.93 55.78 3d4y s PHE 524 Cb 0.08 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 3d4y s PHE 524 CO 0.87 -0.07 -0.11 0.95 0.70 0.00 0.00 175.22 177.56 3d4y s THR 525 N -1.74 3.30 0.37 0.64 -4.23 -0.80 -4.86 115.64 108.31 3d4y s THR 525 Ca -0.05 -1.07 -0.25 0.00 -1.18 0.00 0.00 61.69 59.14 3d4y s THR 525 Cb -0.07 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 3d4y s THR 525 CO -0.00 0.28 1.03 -0.76 -0.54 0.00 0.00 174.62 174.63 3d4y s LEU 526 N -1.70 4.24 -0.17 4.79 1.43 -1.26 -1.09 118.68 124.91 3d4y s LEU 526 Ca 0.18 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 3d4y s LEU 526 Cb -0.11 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.05 3d4y s LEU 526 CO 0.09 -0.35 -0.19 -0.62 0.23 0.00 0.00 176.35 175.52 3d4y s ASP 527 N -1.49 3.02 -0.19 2.29 2.15 0.04 -4.91 116.67 117.58 3d4y s ASP 527 Ca 0.54 -0.61 0.01 0.00 0.43 0.00 0.00 52.55 52.93 3d4y s ASP 527 Cb -0.22 -1.40 0.03 0.00 -0.30 0.00 0.00 42.92 41.02 3d4y s ASP 527 CO 0.28 -0.00 -0.14 -0.62 -0.17 0.00 0.00 175.17 174.52 3d4y s ASP 528 N 1.26 3.25 0.46 -0.34 -1.08 -1.26 -4.09 116.67 114.87 3d4y s ASP 528 Ca 0.03 -0.77 0.27 0.00 -0.52 0.00 0.00 52.55 51.56 3d4y s ASP 528 Cb -0.13 -1.34 0.73 0.00 -1.46 0.00 0.00 42.92 40.72 3d4y s ASP 528 CO -0.11 -0.08 1.75 0.28 0.52 0.00 0.00 175.17 177.53 3d4y h SER 529 N 7.96 0.00 0.00 -0.34 0.02 -1.98 -3.35 113.55 115.86 3d4y h SER 529 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3d4y h SER 529 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3d4y h SER 529 CO 0.54 0.00 -0.00 0.54 -1.14 0.00 0.00 176.83 176.77 3d4y n ARG 530 N -3.02 2.94 -3.69 3.45 1.74 -1.26 -4.42 116.66 112.39 3d4y n ARG 530 Ca 0.03 -1.52 -0.11 0.00 -0.77 0.00 0.00 57.85 55.48 3d4y n ARG 530 Cb 0.44 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 3d4y n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3d4y s TRP 531 N -1.04 -0.63 0.01 -1.55 -0.11 -1.26 -4.17 118.94 110.18 3d4y s TRP 531 Ca 0.01 1.38 0.30 0.00 1.22 0.00 0.00 56.10 59.01 3d4y s TRP 531 Cb 0.01 0.28 1.49 0.00 -1.50 0.00 0.00 33.47 33.75 3d4y s TRP 531 CO 0.00 -0.34 1.91 -1.35 -4.62 0.00 0.00 176.95 172.56 3d4y h PRO 532 N 6.58 0.00 0.00 5.86 0.11 -1.88 -3.43 132.00 139.24 3d4y h PRO 532 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3d4y h PRO 532 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d4y h PRO 532 CO 0.25 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 3d4y n GLY 533 N -0.72 2.57 3.62 -0.55 0.00 -1.26 -4.24 105.19 104.60 3d4y n GLY 533 Ca -0.01 -1.64 -0.52 0.00 0.00 0.00 0.00 46.02 43.85 3d4y n GLY 533 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d4y n SER 534 N 0.00 2.01 0.00 1.61 2.88 -1.26 -0.07 113.62 118.78 3d4y n SER 534 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3d4y n SER 534 Cb 0.00 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 3d4y n SER 534 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d4y n GLY 535 N 2.90 2.89 0.10 0.46 0.00 -1.26 -4.81 105.19 105.47 3d4y n GLY 535 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3d4y n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d4y n VAL 536 N -2.00 1.52 -3.75 1.61 0.31 0.90 -5.00 118.33 111.92 3d4y n VAL 536 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 3d4y n VAL 536 Cb 0.00 -2.06 -0.11 0.00 -0.91 0.00 0.00 33.84 30.76 3d4y n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3d4y s GLU 537 N -2.37 0.39 -1.21 5.55 2.12 -0.82 -4.99 118.70 117.38 3d4y s GLU 537 Ca -0.29 0.51 -0.16 0.00 0.36 0.00 0.00 54.97 55.39 3d4y s GLU 537 Cb 0.06 0.16 0.12 0.00 0.26 0.00 0.00 34.13 34.74 3d4y s GLU 537 CO 0.54 -0.06 1.53 0.34 -0.54 0.00 0.00 175.26 177.06 3d4y s ASP 538 N 0.35 6.91 0.00 -1.70 -1.08 -1.26 -4.54 116.67 115.35 3d4y s ASP 538 Ca -0.01 -2.61 0.09 0.00 -0.52 0.00 0.00 52.55 49.49 3d4y s ASP 538 Cb -0.03 -2.48 -0.06 0.00 -1.46 0.00 0.00 42.92 38.89 3d4y s ASP 538 CO -0.01 -0.98 0.44 -1.54 0.52 0.00 0.00 175.17 173.59 3d4y n SER 539 N 6.98 0.65 -4.74 -0.34 3.41 -1.26 -5.00 113.62 113.32 3d4y n SER 539 Ca 0.40 -0.82 -0.41 0.00 -0.26 0.00 0.00 58.87 57.78 3d4y n SER 539 Cb 0.45 0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 65.17 3d4y n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3d4y s ARG 540 N -1.61 4.64 0.23 4.33 0.52 -1.26 -5.02 118.95 120.77 3d4y s ARG 540 Ca 0.05 1.33 -0.21 0.00 -0.52 0.00 0.00 55.73 56.38 3d4y s ARG 540 Cb 0.07 -3.36 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 3d4y s ARG 540 CO 0.30 0.26 0.75 0.95 0.02 0.00 0.00 175.30 177.59 3d4y s THR 541 N -0.11 4.51 -0.08 0.02 -4.23 -1.26 -5.05 115.64 109.45 3d4y s THR 541 Ca 0.44 1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 62.18 3d4y s THR 541 Cb -0.23 -3.91 -0.05 0.00 1.34 0.00 0.00 72.50 69.66 3d4y s THR 541 CO 0.28 0.24 0.42 -0.89 -0.54 0.00 0.00 174.62 174.13 3d4y s THR 542 N -1.49 5.14 -0.20 3.99 2.01 -1.26 -4.48 115.64 119.35 3d4y s THR 542 Ca 0.43 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 3d4y s THR 542 Cb -0.18 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.59 3d4y s THR 542 CO 0.22 0.44 1.14 -0.63 -0.69 0.00 0.00 174.62 175.09 3d4y s ILE 543 N -0.08 4.51 -0.29 1.82 1.01 0.75 -4.93 121.20 123.99 3d4y s ILE 543 Ca 0.23 1.82 -0.11 0.00 0.00 0.00 0.00 60.65 62.59 3d4y s ILE 543 Cb -0.15 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3d4y s ILE 543 CO 0.10 -0.17 0.19 -0.63 0.00 0.00 0.00 174.94 174.44 3d4y s ILE 544 N 3.34 5.21 0.13 2.92 1.01 -1.26 -1.65 121.20 130.90 3d4y s ILE 544 Ca 0.49 0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.21 3d4y s ILE 544 Cb -0.18 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3d4y s ILE 544 CO 0.10 0.19 -0.10 -0.76 0.00 0.00 0.00 174.94 174.36 3d4y s LEU 545 N 1.74 2.48 -0.23 2.97 1.43 -1.26 -4.79 118.68 121.01 3d4y s LEU 545 Ca 0.07 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 3d4y s LEU 545 Cb -0.16 -0.35 0.16 0.00 0.03 0.00 0.00 46.19 45.87 3d4y s LEU 545 CO 0.10 -0.29 1.22 -0.83 0.23 0.00 0.00 176.35 176.78 3d4y s GLY 546 N -2.85 -0.09 0.57 -3.19 0.00 -0.28 -4.78 107.32 96.69 3d4y s GLY 546 Ca 0.12 2.38 0.29 0.00 0.00 0.00 0.00 44.72 47.51 3d4y s GLY 546 CO 0.00 0.99 2.19 0.83 0.00 0.00 0.00 173.10 177.11 3d4y h GLU 547 N 2.21 0.00 -0.01 2.90 4.39 -1.95 -1.99 114.58 120.13 3d4y h GLU 547 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3d4y h GLU 547 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3d4y h GLU 547 CO 0.25 0.05 -0.76 -0.25 -1.16 0.00 0.00 179.01 177.14 3d4y n ASP 548 N -3.76 1.38 0.00 1.42 8.00 -1.26 -4.93 116.55 117.41 3d4y n ASP 548 Ca -0.03 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3d4y n ASP 548 Cb 0.14 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 3d4y n ASP 548 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3d4y n ILE 549 N -0.91 0.00 -1.77 0.53 -5.35 -0.75 -5.08 119.36 106.03 3d4y n ILE 549 Ca 0.06 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.12 3d4y n ILE 549 Cb 0.38 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.26 3d4y n ILE 549 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3d4y s LEU 550 N 0.00 3.95 0.38 7.28 2.96 -1.25 -4.70 118.68 127.31 3d4y s LEU 550 Ca 0.00 2.12 0.20 0.00 -0.22 0.00 0.00 54.13 56.23 3d4y s LEU 550 Cb 0.00 -3.52 0.27 0.00 0.50 0.00 0.00 46.19 43.43 3d4y s LEU 550 CO 0.00 -1.42 1.56 1.55 -1.32 0.00 0.00 176.35 176.72 3d4y h PRO 551 N 12.14 0.00 -3.51 0.98 0.13 -1.92 -0.74 132.00 139.08 3d4y h PRO 551 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 3d4y h PRO 551 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 3d4y h PRO 551 CO 0.96 0.20 -0.11 -1.54 -0.23 0.00 0.00 178.00 177.28 3d4y s SER 552 N -6.30 -0.15 -0.10 1.44 1.04 -1.26 -1.08 113.70 107.29 3d4y s SER 552 Ca 0.06 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 3d4y s SER 552 Cb 0.06 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3d4y s SER 552 CO 0.70 -0.94 0.24 -0.75 0.98 0.00 0.00 173.24 173.46 3d4y s LYS 553 N -3.88 0.25 0.07 4.02 2.47 0.56 -4.97 119.74 118.26 3d4y s LYS 553 Ca 0.10 0.41 -0.24 0.00 -1.56 0.00 0.00 55.97 54.67 3d4y s LYS 553 Cb 0.01 0.04 -0.06 0.00 -1.46 0.00 0.00 37.83 36.36 3d4y s LYS 553 CO -0.05 -0.08 0.73 -1.01 0.16 0.00 0.00 175.35 175.10 3d4y s HIS 554 N 0.55 3.78 0.14 4.03 3.76 -1.26 -0.90 115.29 125.39 3d4y s HIS 554 Ca -0.04 1.46 0.08 0.00 -0.15 0.00 0.00 55.06 56.41 3d4y s HIS 554 Cb -0.05 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 3d4y s HIS 554 CO -0.03 0.38 -0.17 0.14 -0.85 0.00 0.00 174.74 174.20 3d4y s VAL 555 N -0.47 1.64 -0.02 -0.90 -7.23 -0.22 -1.80 120.40 111.39 3d4y s VAL 555 Ca 0.36 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3d4y s VAL 555 Cb -0.21 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.07 3d4y s VAL 555 CO 0.23 -0.28 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.97 3d4y s VAL 556 N -1.85 0.65 -0.02 1.32 1.01 0.52 -0.72 120.40 121.31 3d4y s VAL 556 Ca 0.11 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3d4y s VAL 556 Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3d4y s VAL 556 CO 0.05 0.21 -0.12 -0.04 0.00 0.00 0.00 175.10 175.20 3d4y s MET 557 N 0.25 2.48 -0.03 2.72 -1.94 -0.13 -0.07 119.30 122.59 3d4y s MET 557 Ca -0.03 -0.73 0.06 0.00 -1.71 0.00 0.00 55.69 53.27 3d4y s MET 557 Cb -0.08 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 3d4y s MET 557 CO 0.00 0.61 -0.20 -1.58 -0.01 0.00 0.00 175.02 173.85 3d4y s HIS 558 N -0.85 2.53 -0.28 -0.03 5.04 0.06 -1.20 115.29 120.56 3d4y s HIS 558 Ca 0.14 -0.28 0.03 0.00 -1.54 0.00 0.00 55.06 53.40 3d4y s HIS 558 Cb -0.11 -1.55 0.08 0.00 0.04 0.00 0.00 32.58 31.03 3d4y s HIS 558 CO 0.03 0.11 -0.03 1.21 -2.34 0.00 0.00 174.74 173.72 3d4y s ASN 559 N -0.78 4.40 0.39 9.88 2.47 -0.29 -1.09 114.94 129.93 3d4y s ASN 559 Ca 0.11 -1.62 0.28 0.00 0.42 0.00 0.00 52.86 52.05 3d4y s ASN 559 Cb -0.10 -1.45 1.06 0.00 -1.45 0.00 0.00 41.25 39.31 3d4y s ASN 559 CO 0.00 -0.28 1.82 0.00 -3.72 0.00 0.00 177.10 174.93 3d4y h THR 560 N 6.68 0.00 -3.76 -5.21 1.03 -1.86 -2.06 112.91 107.73 3d4y h THR 560 Ca -0.13 -0.44 -0.49 0.00 -0.01 0.00 0.00 66.41 65.34 3d4y h THR 560 Cb 1.04 1.33 -0.03 0.00 -1.07 0.00 0.00 68.15 69.43 3d4y h THR 560 CO 0.47 0.00 0.17 -0.76 -0.01 0.00 0.00 175.52 175.39 3d4y s LEU 561 N -5.33 4.15 -0.00 0.00 1.43 -1.26 -4.48 118.68 113.18 3d4y s LEU 561 Ca 0.04 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3d4y s LEU 561 Cb 0.09 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.29 3d4y s LEU 561 CO 0.50 -0.15 1.87 -0.81 0.23 0.00 0.00 176.35 177.99 3d4y n PRO 562 N -0.02 1.00 -3.75 1.29 -0.04 -1.26 -1.20 135.00 131.02 3d4y n PRO 562 Ca 0.02 -0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 3d4y n PRO 562 Cb 0.52 -1.00 -0.07 0.00 -0.04 0.00 0.00 33.50 32.91 3d4y n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3d4y s HIS 563 N -0.01 -0.11 0.29 0.54 -3.43 -1.26 -0.24 115.29 111.07 3d4y s HIS 563 Ca 0.00 -0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 53.93 3d4y s HIS 563 Cb 0.00 0.10 -0.13 0.00 -1.43 0.00 0.00 32.58 31.12 3d4y s HIS 563 CO 0.00 -0.51 1.41 0.91 -2.00 0.00 0.00 174.74 174.55 3d4y n TRP 564 N 0.55 2.36 -4.15 0.38 7.02 -1.26 -4.01 117.44 118.33 3d4y n TRP 564 Ca -0.18 0.44 -0.16 0.00 -1.02 0.00 0.00 57.50 56.58 3d4y n TRP 564 Cb 0.60 -2.47 -0.14 0.00 -2.42 0.00 0.00 31.31 26.87 3d4y n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3d4y s ARG 565 N -0.97 0.41 -0.06 -0.99 3.52 -0.71 -4.97 118.95 115.18 3d4y s ARG 565 Ca 0.63 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 56.07 3d4y s ARG 565 Cb -0.59 -0.39 -0.02 0.00 -1.56 0.00 0.00 34.95 32.39 3d4y s ARG 565 CO 0.54 0.11 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.78 3d4y s GLU 566 N -0.15 2.62 -0.18 5.12 2.02 -1.26 -0.87 118.70 126.00 3d4y s GLU 566 Ca 0.02 -0.70 -0.17 0.00 0.02 0.00 0.00 54.97 54.14 3d4y s GLU 566 Cb -0.02 -2.41 0.05 0.00 0.10 0.00 0.00 34.13 31.85 3d4y s GLU 566 CO -0.00 0.56 0.50 -1.14 0.02 0.00 0.00 175.26 175.20 3d4y s GLN 567 N -0.58 0.58 0.23 1.61 0.74 -0.67 -4.98 119.66 116.59 3d4y s GLN 567 Ca 0.08 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 55.87 3d4y s GLN 567 Cb -0.11 0.28 -0.10 0.00 1.10 0.00 0.00 33.01 34.19 3d4y s GLN 567 CO 0.01 -0.07 1.38 -0.51 -0.55 0.00 0.00 175.29 175.55 3d4y s LEU 568 N 0.24 4.40 0.16 3.68 1.43 -1.26 -1.18 118.68 126.16 3d4y s LEU 568 Ca -0.00 2.56 0.10 0.00 -1.03 0.00 0.00 54.13 55.75 3d4y s LEU 568 Cb -0.03 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3d4y s LEU 568 CO 0.01 -0.62 -0.22 0.68 0.23 0.00 0.00 176.35 176.43 3d4y s VAL 569 N 0.02 2.04 0.08 -1.59 -7.23 0.20 -4.91 120.40 109.02 3d4y s VAL 569 Ca 0.58 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 3d4y s VAL 569 Cb -0.40 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3d4y s VAL 569 CO 0.41 -0.17 -0.14 1.51 -0.31 0.00 0.00 175.10 176.40 3d4y s ASP 570 N -2.50 1.71 0.06 4.85 -4.77 -1.26 -1.69 116.67 113.07 3d4y s ASP 570 Ca 0.16 -0.65 0.04 0.00 -3.30 0.00 0.00 52.55 48.80 3d4y s ASP 570 Cb -0.08 -0.05 -0.03 0.00 -1.09 0.00 0.00 42.92 41.68 3d4y s ASP 570 CO 0.07 -0.09 -0.11 -0.36 0.70 0.00 0.00 175.17 175.39 3d4y s PHE 571 N -1.42 0.95 0.03 2.11 0.08 -0.15 -4.93 117.98 114.66 3d4y s PHE 571 Ca -0.00 -0.52 -0.21 0.00 0.12 0.00 0.00 56.93 56.31 3d4y s PHE 571 Cb -0.09 -0.54 -0.06 0.00 -0.57 0.00 0.00 43.02 41.76 3d4y s PHE 571 CO 0.02 -0.02 0.62 0.71 -0.10 0.00 0.00 175.22 176.46 3d4y s TYR 572 N -1.58 3.73 0.05 0.36 1.51 -1.26 -0.65 117.35 119.51 3d4y s TYR 572 Ca -0.04 1.28 0.01 0.00 -1.01 0.00 0.00 57.07 57.31 3d4y s TYR 572 Cb -0.08 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 3d4y s TYR 572 CO 0.01 0.40 -0.05 0.14 -1.11 0.00 0.00 175.55 174.94 3d4y s VAL 573 N -0.43 0.39 -1.09 0.71 -7.23 0.35 -0.18 120.40 112.92 3d4y s VAL 573 Ca 0.32 -1.35 0.28 0.00 -1.81 0.00 0.00 61.98 59.42 3d4y s VAL 573 Cb -0.19 -0.91 0.29 0.00 0.56 0.00 0.00 36.38 36.13 3d4y s VAL 573 CO 0.19 -0.64 1.93 -1.54 -0.31 0.00 0.00 175.10 174.73 3d4y n SER 574 N 0.93 0.00 -3.99 4.85 3.41 -0.66 -0.28 113.62 117.87 3d4y n SER 574 Ca -0.19 0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3d4y n SER 574 Cb 0.57 -0.46 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 3d4y n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d4y s SER 575 N -2.91 0.41 0.00 4.04 0.15 -1.26 -4.71 113.70 109.41 3d4y s SER 575 Ca 0.17 -0.45 0.28 0.00 0.70 0.00 0.00 55.95 56.65 3d4y s SER 575 Cb 0.19 0.06 1.28 0.00 -1.71 0.00 0.00 66.02 65.84 3d4y s SER 575 CO 0.50 -0.23 1.92 -0.81 1.20 0.00 0.00 173.24 175.82 3d4y n PRO 576 N 1.77 0.18 -3.04 5.44 -0.04 -1.26 -4.40 135.00 133.65 3d4y n PRO 576 Ca -0.22 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 3d4y n PRO 576 Cb 0.56 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3d4y n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3d4y n PHE 577 N -1.40 2.51 -5.12 0.54 3.72 -1.26 -4.92 117.46 111.52 3d4y n PHE 577 Ca 0.10 -2.70 -0.29 0.00 -0.05 0.00 0.00 57.45 54.50 3d4y n PHE 577 Cb 0.28 -1.28 -0.16 0.00 -0.94 0.00 0.00 39.48 37.37 3d4y n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3d4y s VAL 578 N -2.68 1.80 0.07 -4.37 1.01 -1.26 -0.51 120.40 114.46 3d4y s VAL 578 Ca 0.31 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.40 3d4y s VAL 578 Cb 0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3d4y s VAL 578 CO 0.09 0.51 -0.12 -0.94 0.00 0.00 0.00 175.10 174.64 3d4y s SER 579 N -0.35 4.26 -0.08 3.32 1.04 0.22 -4.79 113.70 117.32 3d4y s SER 579 Ca 0.04 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.11 3d4y s SER 579 Cb -0.11 -0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 3d4y s SER 579 CO 0.01 0.21 -0.11 -0.69 0.98 0.00 0.00 173.24 173.64 3d4y s VAL 580 N -1.11 3.31 0.12 5.02 1.01 -1.26 -0.90 120.40 126.59 3d4y s VAL 580 Ca 0.19 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3d4y s VAL 580 Cb -0.11 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3d4y s VAL 580 CO 0.10 0.57 -0.10 0.42 0.00 0.00 0.00 175.10 176.10 3d4y s THR 581 N -0.38 0.99 0.98 3.92 -4.23 -0.36 -1.15 115.64 115.40 3d4y s THR 581 Ca 0.05 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.55 3d4y s THR 581 Cb -0.12 -1.59 0.22 0.00 1.34 0.00 0.00 72.50 72.34 3d4y s THR 581 CO 0.02 -0.68 1.33 1.51 -0.54 0.00 0.00 174.62 176.27 3d4y s ASP 582 N -2.81 2.93 -0.00 3.99 1.47 -0.62 -0.77 116.67 120.86 3d4y s ASP 582 Ca 0.11 0.14 0.07 0.00 1.18 0.00 0.00 52.55 54.04 3d4y s ASP 582 Cb 0.00 -0.11 0.19 0.00 -0.34 0.00 0.00 42.92 42.66 3d4y s ASP 582 CO -0.01 -2.84 1.14 -0.11 0.68 0.00 0.00 175.17 174.04 3d4y n LEU 583 N -3.80 1.23 -1.59 2.11 7.94 -1.23 -1.21 117.00 120.45 3d4y n LEU 583 Ca 0.17 -0.62 0.09 0.00 -1.11 0.00 0.00 56.01 54.54 3d4y n LEU 583 Cb 0.59 -0.17 0.36 0.00 0.53 0.00 0.00 43.42 44.73 3d4y n LEU 583 CO 0.44 0.29 0.82 0.00 -1.11 0.00 0.00 177.39 177.83 3d4y n ALA 584 N 0.14 3.13 -1.63 1.96 0.00 -1.26 -4.93 120.51 117.91 3d4y n ALA 584 Ca 0.07 -1.64 -0.19 0.00 0.00 0.00 0.00 53.44 51.69 3d4y n ALA 584 Cb 0.20 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 3d4y n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d4y n ASN 585 N 1.06 -5.28 -4.71 0.00 3.02 -0.35 -4.98 115.26 104.01 3d4y n ASN 585 Ca 0.26 0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 54.80 3d4y n ASN 585 Cb 0.91 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 3d4y n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3d4y s ASN 586 N -2.73 7.18 0.58 6.41 0.01 -1.26 -4.83 114.94 120.29 3d4y s ASN 586 Ca 0.00 1.92 -0.20 0.00 -0.71 0.00 0.00 52.86 53.87 3d4y s ASN 586 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 3d4y s ASN 586 CO 0.00 -0.39 1.30 -2.84 -1.51 0.00 0.00 177.10 173.66 3d4y s PRO 587 N 0.92 2.97 -0.10 -0.60 0.02 -1.26 -1.59 135.00 135.37 3d4y s PRO 587 Ca 0.56 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.68 3d4y s PRO 587 Cb -0.27 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.18 3d4y s PRO 587 CO 0.29 -1.27 -0.18 0.08 -0.33 0.00 0.00 177.00 175.59 3d4y s VAL 588 N -1.40 1.66 0.24 3.83 1.01 -0.30 -4.82 120.40 120.61 3d4y s VAL 588 Ca 0.75 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3d4y s VAL 588 Cb -0.37 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 3d4y s VAL 588 CO 0.42 0.47 1.49 -0.70 0.00 0.00 0.00 175.10 176.78 3d4y s GLU 589 N 0.64 4.23 0.15 2.72 2.12 -1.26 -4.33 118.70 122.97 3d4y s GLU 589 Ca -0.13 2.36 0.02 0.00 0.36 0.00 0.00 54.97 57.57 3d4y s GLU 589 Cb -0.16 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3d4y s GLU 589 CO 0.04 -0.50 -0.02 0.00 -0.54 0.00 0.00 175.26 174.24 3d4y s ALA 590 N 0.25 1.22 -0.03 6.30 0.00 -0.31 -4.31 121.76 124.88 3d4y s ALA 590 Ca 0.62 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3d4y s ALA 590 Cb -0.43 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3d4y s ALA 590 CO 0.41 -0.29 -0.10 -1.14 0.00 0.00 0.00 175.76 174.64 3d4y s GLN 591 N -3.88 1.16 -0.08 0.00 0.74 0.16 -1.34 119.66 116.41 3d4y s GLN 591 Ca 0.20 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.24 3d4y s GLN 591 Cb 0.06 -1.05 -0.03 0.00 1.10 0.00 0.00 33.01 33.08 3d4y s GLN 591 CO 0.01 0.11 0.03 0.08 -0.55 0.00 0.00 175.29 174.97 3d4y s VAL 592 N 0.28 4.53 0.06 1.34 1.01 0.20 -0.05 120.40 127.77 3d4y s VAL 592 Ca -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3d4y s VAL 592 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3d4y s VAL 592 CO 0.01 0.58 -0.05 -0.44 0.00 0.00 0.00 175.10 175.20 3d4y s SER 593 N -1.01 0.74 0.95 3.32 0.01 -0.33 -1.73 113.70 115.65 3d4y s SER 593 Ca 0.15 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.41 3d4y s SER 593 Cb -0.11 0.13 0.16 0.00 0.21 0.00 0.00 66.02 66.40 3d4y s SER 593 CO 0.04 -0.46 1.09 -2.84 0.41 0.00 0.00 173.24 171.48 3d4y s PRO 594 N -3.25 0.83 -0.34 12.44 0.02 -1.26 -0.91 135.00 142.53 3d4y s PRO 594 Ca 0.03 0.80 -0.15 0.00 0.02 0.00 0.00 61.00 61.70 3d4y s PRO 594 Cb 0.02 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.77 3d4y s PRO 594 CO -0.06 -2.53 0.35 0.08 -0.33 0.00 0.00 177.00 174.52 3d4y s VAL 595 N -2.87 5.18 -0.16 3.83 1.01 -1.26 -4.49 120.40 121.63 3d4y s VAL 595 Ca 0.65 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 3d4y s VAL 595 Cb -0.19 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3d4y s VAL 595 CO 0.58 -0.06 0.00 0.26 0.00 0.00 0.00 175.10 175.88 3d4y s TRP 596 N 2.00 3.11 0.14 5.22 0.52 -1.26 -0.29 118.94 128.38 3d4y s TRP 596 Ca 0.11 -0.15 0.08 0.00 0.02 0.00 0.00 56.10 56.16 3d4y s TRP 596 Cb -0.17 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 3d4y s TRP 596 CO 0.11 0.05 -0.18 -1.54 0.02 0.00 0.00 176.95 175.42 3d4y s SER 597 N 0.33 2.51 0.02 2.95 1.04 -0.44 -4.95 113.70 115.15 3d4y s SER 597 Ca -0.01 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.64 3d4y s SER 597 Cb -0.13 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 3d4y s SER 597 CO 0.02 -0.04 -0.08 0.26 0.98 0.00 0.00 173.24 174.38 3d4y s TRP 598 N -1.91 2.84 -0.03 5.02 0.52 -1.26 0.21 118.94 124.33 3d4y s TRP 598 Ca 0.13 -0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 3d4y s TRP 598 Cb -0.06 -1.58 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 3d4y s TRP 598 CO 0.05 0.36 0.09 -1.01 0.02 0.00 0.00 176.95 176.47 3d4y s HIS 599 N -1.01 -0.06 -0.93 -1.98 3.76 -0.37 -4.97 115.29 109.73 3d4y s HIS 599 Ca 0.17 0.16 -0.23 0.00 -0.15 0.00 0.00 55.06 55.01 3d4y s HIS 599 Cb -0.11 0.01 0.06 0.00 1.11 0.00 0.00 32.58 33.65 3d4y s HIS 599 CO 0.08 -0.09 1.33 -1.58 -0.85 0.00 0.00 174.74 173.63 3d4y s HIS 600 N -0.24 2.60 -1.18 1.40 2.46 -1.26 -1.87 115.29 117.20 3d4y s HIS 600 Ca -0.03 -0.77 -0.22 0.00 0.47 0.00 0.00 55.06 54.51 3d4y s HIS 600 Cb -0.02 -4.59 -0.04 0.00 -0.13 0.00 0.00 32.58 27.80 3d4y s HIS 600 CO 0.00 -1.87 1.86 0.34 -2.47 0.00 0.00 174.74 172.61 3d4y s ASP 601 N 4.43 5.56 0.00 9.88 2.15 0.76 -4.78 116.67 134.66 3d4y s ASP 601 Ca 0.40 -1.75 0.06 0.00 0.43 0.00 0.00 52.55 51.69 3d4y s ASP 601 Cb -0.03 -2.58 0.27 0.00 -0.30 0.00 0.00 42.92 40.27 3d4y s ASP 601 CO -0.04 -2.50 1.19 0.35 -0.17 0.00 0.00 175.17 174.00 3d4y n THR 602 N 7.42 1.53 0.15 1.71 -2.24 -1.26 0.26 114.28 121.85 3d4y n THR 602 Ca 0.45 0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 62.54 3d4y n THR 602 Cb 0.47 -1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 3d4y n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3d4y h LEU 603 N 0.00 -0.38 -0.05 3.22 -0.00 -1.93 -3.34 115.31 112.83 3d4y h LEU 603 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3d4y h LEU 603 Cb 0.11 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 3d4y h LEU 603 CO 0.00 -0.01 -0.01 0.35 -0.00 0.00 0.00 178.44 178.77 3d4y n THR 604 N -4.68 0.00 -3.91 0.22 -2.24 -0.96 -4.94 114.28 97.77 3d4y n THR 604 Ca -0.06 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 3d4y n THR 604 Cb 0.18 -0.43 0.03 0.00 -2.10 0.00 0.00 70.33 68.00 3d4y n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3d4y n LYS 605 N -1.09 -5.58 -4.39 -0.78 4.76 0.14 -5.01 118.16 106.21 3d4y n LYS 605 Ca 0.19 0.60 -0.24 0.00 -2.87 0.00 0.00 58.31 55.98 3d4y n LYS 605 Cb 0.19 -5.50 -0.11 0.00 -1.84 0.00 0.00 35.03 27.77 3d4y n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3d4y s THR 606 N -3.30 2.15 -0.38 -0.18 -4.23 -1.08 -4.99 115.64 103.63 3d4y s THR 606 Ca 0.67 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.95 3d4y s THR 606 Cb -0.34 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.48 3d4y s THR 606 CO 0.83 -0.24 0.56 -0.63 -0.54 0.00 0.00 174.62 174.60 3d4y s ILE 607 N -1.96 4.95 0.07 2.99 1.01 -1.26 -0.17 121.20 126.82 3d4y s ILE 607 Ca 0.20 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.10 3d4y s ILE 607 Cb -0.06 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3d4y s ILE 607 CO 0.09 -0.37 -0.05 -1.38 0.00 0.00 0.00 174.94 173.23 3d4y s HIS 608 N 2.54 0.68 0.25 3.97 -3.43 -0.78 -4.43 115.29 114.09 3d4y s HIS 608 Ca 0.20 -0.88 -0.15 0.00 -0.80 0.00 0.00 55.06 53.43 3d4y s HIS 608 Cb -0.15 -0.43 -0.08 0.00 -1.43 0.00 0.00 32.58 30.49 3d4y s HIS 608 CO 0.15 -0.22 0.67 -1.25 -2.00 0.00 0.00 174.74 172.09 3d4y s PRO 609 N -3.36 4.03 0.05 -0.38 0.04 -1.26 -1.24 135.00 132.88 3d4y s PRO 609 Ca 0.05 0.62 0.09 0.00 0.04 0.00 0.00 61.00 61.80 3d4y s PRO 609 Cb 0.03 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 3d4y s PRO 609 CO -0.06 0.30 -0.25 -0.65 0.04 0.00 0.00 177.00 176.38 3d4y s GLN 610 N -2.53 1.82 -0.02 4.56 -1.52 0.13 -4.95 119.66 117.15 3d4y s GLN 610 Ca 0.48 -1.11 -0.07 0.00 -1.95 0.00 0.00 55.36 52.71 3d4y s GLN 610 Cb -0.13 -2.01 -0.05 0.00 -0.22 0.00 0.00 33.01 30.60 3d4y s GLN 610 CO 0.19 0.51 0.25 0.20 -0.25 0.00 0.00 175.29 176.19 3d4y s GLY 611 N -1.36 2.24 0.40 3.09 0.00 -1.26 -1.33 107.32 109.10 3d4y s GLY 611 Ca 0.13 -0.58 -0.26 0.00 0.00 0.00 0.00 44.72 44.01 3d4y s GLY 611 CO 0.03 -0.37 1.19 -0.45 0.00 0.00 0.00 173.10 173.50 3d4y s SER 612 N -1.55 6.51 0.00 1.64 0.15 0.60 -4.87 113.70 116.19 3d4y s SER 612 Ca 0.25 2.40 0.20 0.00 0.70 0.00 0.00 55.95 59.49 3d4y s SER 612 Cb -0.13 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 61.87 3d4y s SER 612 CO 0.14 -0.69 1.25 0.35 1.20 0.00 0.00 173.24 175.50 3d4y n THR 613 N 0.13 0.38 0.00 6.45 -2.24 -1.26 -4.38 114.28 113.36 3d4y n THR 613 Ca 0.04 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3d4y n THR 613 Cb 0.46 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3d4y n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d4y n THR 614 N 1.19 0.00 -3.95 4.28 -2.24 -1.26 -4.31 114.28 107.98 3d4y n THR 614 Ca 0.15 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 3d4y n THR 614 Cb 0.52 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.25 3d4y n THR 614 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3d4y s LYS 615 N -0.87 0.69 0.14 -0.78 -2.85 -1.26 -4.65 119.74 110.15 3d4y s LYS 615 Ca 0.00 -0.98 0.01 0.00 -1.00 0.00 0.00 55.97 54.00 3d4y s LYS 615 Cb 0.00 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 3d4y s LYS 615 CO 0.00 -0.18 0.00 0.71 0.10 0.00 0.00 175.35 175.99 3d4y s TYR 616 N -3.48 1.00 -0.19 1.78 2.02 0.61 -4.07 117.35 115.03 3d4y s TYR 616 Ca 0.02 -1.07 -0.05 0.00 -0.37 0.00 0.00 57.07 55.60 3d4y s TYR 616 Cb 0.04 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 3d4y s TYR 616 CO -0.09 -0.30 0.01 1.03 -1.57 0.00 0.00 175.55 174.63 3d4y s ARG 617 N -3.94 3.71 -0.13 -0.62 0.52 -0.09 -0.50 118.95 117.91 3d4y s ARG 617 Ca 0.21 -0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 54.91 3d4y s ARG 617 Cb 0.07 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 3d4y s ARG 617 CO 0.01 0.12 -0.03 -1.50 0.02 0.00 0.00 175.30 173.91 3d4y s ILE 618 N 0.73 3.97 -0.03 1.52 2.07 0.18 -1.18 121.20 128.46 3d4y s ILE 618 Ca 0.00 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 3d4y s ILE 618 Cb -0.14 -2.71 -0.01 0.00 0.13 0.00 0.00 42.46 39.73 3d4y s ILE 618 CO 0.02 0.53 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.79 3d4y s ILE 619 N -0.06 1.33 0.15 2.00 1.01 0.93 -0.98 121.20 125.58 3d4y s ILE 619 Ca 0.02 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3d4y s ILE 619 Cb -0.13 -1.13 0.04 0.00 0.01 0.00 0.00 42.46 41.25 3d4y s ILE 619 CO 0.02 0.38 0.48 0.72 0.00 0.00 0.00 174.94 176.55 3d4y s PHE 620 N -0.10 -0.29 -0.21 3.97 -0.71 -0.68 -0.66 117.98 119.29 3d4y s PHE 620 Ca -0.00 0.00 -0.25 0.00 -1.04 0.00 0.00 56.93 55.64 3d4y s PHE 620 Cb -0.09 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.08 3d4y s PHE 620 CO 0.01 -0.78 0.84 0.21 -1.34 0.00 0.00 175.22 174.16 3d4y s LYS 621 N -3.80 4.23 -0.09 1.99 2.20 -1.26 -0.63 119.74 122.38 3d4y s LYS 621 Ca 0.03 0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 56.52 3d4y s LYS 621 Cb 0.01 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 3d4y s LYS 621 CO -0.11 -0.45 0.26 0.00 -0.36 0.00 0.00 175.35 174.69 3d4y s ALA 622 N 2.59 3.75 -0.16 3.13 0.00 -0.32 -4.92 121.76 125.84 3d4y s ALA 622 Ca 0.37 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.87 3d4y s ALA 622 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3d4y s ALA 622 CO 0.09 0.44 -0.17 0.50 0.00 0.00 0.00 175.76 176.63 3d4y s ARG 623 N -0.68 3.16 -0.02 0.00 3.52 -1.26 -1.67 118.95 122.00 3d4y s ARG 623 Ca 0.18 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 3d4y s ARG 623 Cb -0.14 -2.59 -0.00 0.00 -1.56 0.00 0.00 34.95 30.66 3d4y s ARG 623 CO 0.07 -0.02 -0.09 0.08 -0.81 0.00 0.00 175.30 174.52 3d4y s VAL 624 N 0.89 0.78 1.04 7.11 1.01 -0.05 -4.79 120.40 126.39 3d4y s VAL 624 Ca -0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3d4y s VAL 624 Cb -0.15 -0.67 0.21 0.00 0.00 0.00 0.00 36.38 35.77 3d4y s VAL 624 CO -0.02 0.23 1.07 -2.84 0.00 0.00 0.00 175.10 173.55 3d4y s PRO 625 N -0.03 0.06 0.18 2.72 0.02 -1.26 -1.74 135.00 134.95 3d4y s PRO 625 Ca 0.01 1.00 -0.31 0.00 0.02 0.00 0.00 61.00 61.71 3d4y s PRO 625 Cb -0.06 -1.66 -0.10 0.00 0.02 0.00 0.00 34.50 32.70 3d4y s PRO 625 CO 0.00 -3.11 1.57 -2.14 -0.33 0.00 0.00 177.00 172.98 3d4y s PRO 626 N -4.63 4.21 -1.59 5.54 0.02 -1.26 -2.01 135.00 135.29 3d4y s PRO 626 Ca 0.67 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 63.99 3d4y s PRO 626 Cb -0.23 -3.14 0.07 0.00 0.02 0.00 0.00 34.50 31.23 3d4y s PRO 626 CO 0.61 -0.60 0.42 -1.33 -0.33 0.00 0.00 177.00 175.77 3d4y n MET 627 N 3.68 -2.25 -0.59 5.54 2.81 -0.34 -4.78 117.12 121.19 3d4y n MET 627 Ca 0.13 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 3d4y n MET 627 Cb 0.38 -4.43 0.00 0.00 -0.71 0.00 0.00 33.22 28.47 3d4y n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d4y n GLY 628 N -1.89 4.43 3.04 3.03 0.00 -0.85 -4.83 105.19 108.12 3d4y n GLY 628 Ca -0.16 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 3d4y n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4y s LEU 629 N 0.00 2.21 -0.01 0.99 1.43 -0.15 -1.13 118.68 122.02 3d4y s LEU 629 Ca 0.00 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3d4y s LEU 629 Cb 0.00 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.08 3d4y s LEU 629 CO 0.00 -0.17 0.01 0.00 0.23 0.00 0.00 176.35 176.42 3d4y s ALA 630 N -1.18 0.01 -0.12 4.21 0.00 -0.34 -1.30 121.76 123.03 3d4y s ALA 630 Ca -0.09 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 3d4y s ALA 630 Cb -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3d4y s ALA 630 CO 0.00 -0.03 0.04 0.99 0.00 0.00 0.00 175.76 176.75 3d4y s THR 631 N 0.31 4.59 0.29 0.00 2.01 -0.62 -0.95 115.64 121.26 3d4y s THR 631 Ca -0.03 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 61.91 3d4y s THR 631 Cb -0.04 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 3d4y s THR 631 CO -0.01 0.56 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.13 3d4y s TYR 632 N -0.43 1.95 -0.05 4.92 1.51 0.10 -3.54 117.35 121.81 3d4y s TYR 632 Ca 0.09 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 3d4y s TYR 632 Cb -0.12 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.59 3d4y s TYR 632 CO 0.02 0.22 -0.12 0.08 -1.11 0.00 0.00 175.55 174.64 3d4y s VAL 633 N -3.07 1.09 -0.16 0.71 1.01 0.05 -1.06 120.40 118.96 3d4y s VAL 633 Ca 0.31 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 3d4y s VAL 633 Cb 0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3d4y s VAL 633 CO 0.12 0.34 0.06 -0.76 0.00 0.00 0.00 175.10 174.86 3d4y s LEU 634 N 0.50 3.82 -0.03 3.92 1.43 -0.07 -1.23 118.68 127.01 3d4y s LEU 634 Ca -0.11 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3d4y s LEU 634 Cb -0.14 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3d4y s LEU 634 CO 0.03 0.23 -0.08 -0.89 0.23 0.00 0.00 176.35 175.87 3d4y s THR 635 N 0.00 0.71 0.50 5.49 2.01 -0.07 -0.33 115.64 123.96 3d4y s THR 635 Ca 0.06 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 3d4y s THR 635 Cb -0.12 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 3d4y s THR 635 CO 0.01 0.23 0.95 -0.51 -0.69 0.00 0.00 174.62 174.61 3d4y s ILE 636 N 0.31 4.57 0.20 1.82 2.07 -0.25 -0.61 121.20 129.31 3d4y s ILE 636 Ca -0.05 1.13 -0.00 0.00 -1.41 0.00 0.00 60.65 60.32 3d4y s ILE 636 Cb -0.09 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 38.73 3d4y s ILE 636 CO 0.00 -0.66 0.10 -0.94 -1.91 0.00 0.00 174.94 171.54 3d4y s SER 637 N -3.07 0.45 0.00 4.50 1.04 0.33 -4.87 113.70 112.07 3d4y s SER 637 Ca 0.58 -1.34 0.26 0.00 0.48 0.00 0.00 55.95 55.92 3d4y s SER 637 Cb -0.10 0.31 0.70 0.00 0.10 0.00 0.00 66.02 67.03 3d4y s SER 637 CO 0.31 -0.78 1.56 -0.90 0.98 0.00 0.00 173.24 174.40 3d4y n ASP 638 N -0.28 0.37 -2.59 7.02 5.75 -1.26 -4.69 116.55 120.88 3d4y n ASP 638 Ca -0.00 -0.03 -0.13 0.00 -0.01 0.00 0.00 54.79 54.61 3d4y n ASP 638 Cb 0.65 0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.73 3d4y n ASP 638 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3d4y n SER 639 N -1.52 -0.61 -4.64 -1.12 3.41 -1.26 -5.05 113.62 102.82 3d4y n SER 639 Ca 0.06 -2.55 -0.50 0.00 -0.26 0.00 0.00 58.87 55.61 3d4y n SER 639 Cb 0.34 1.35 -0.05 0.00 -0.26 0.00 0.00 64.21 65.58 3d4y n SER 639 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d4y n LYS 640 N -0.45 1.59 -2.39 4.33 5.02 -1.26 -4.81 118.16 120.19 3d4y n LYS 640 Ca 0.05 0.58 -0.33 0.00 -2.02 0.00 0.00 58.31 56.58 3d4y n LYS 640 Cb 0.44 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 3d4y n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3d4y s PRO 641 N 1.40 3.75 0.28 1.97 0.02 -1.26 -4.98 135.00 136.17 3d4y s PRO 641 Ca 0.85 1.18 0.01 0.00 0.02 0.00 0.00 61.00 63.06 3d4y s PRO 641 Cb -0.85 -2.10 0.55 0.00 0.02 0.00 0.00 34.50 32.12 3d4y s PRO 641 CO 0.47 -0.46 1.82 1.49 -0.33 0.00 0.00 177.00 179.99 3d4y h GLU 642 N 1.11 0.87 -0.31 5.54 4.81 -1.97 -3.06 114.58 121.57 3d4y h GLU 642 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3d4y h GLU 642 Cb 1.21 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3d4y h GLU 642 CO 0.59 0.58 0.00 0.72 -0.73 0.00 0.00 179.01 180.17 3d4y n HIS 643 N -4.68 0.84 -4.51 0.92 8.25 -1.26 -4.90 115.22 109.87 3d4y n HIS 643 Ca 0.18 -0.75 -0.33 0.00 -0.26 0.00 0.00 57.72 56.56 3d4y n HIS 643 Cb 0.38 -0.23 -0.15 0.00 1.12 0.00 0.00 29.99 31.11 3d4y n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d4y s THR 644 N -2.23 2.89 0.37 1.59 2.01 -1.16 -1.17 115.64 117.95 3d4y s THR 644 Ca 0.37 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.75 3d4y s THR 644 Cb 0.27 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 3d4y s THR 644 CO 0.12 0.51 0.32 -0.94 -0.69 0.00 0.00 174.62 173.93 3d4y s SER 645 N 0.76 5.15 -0.06 3.53 1.04 -0.45 -4.62 113.70 119.05 3d4y s SER 645 Ca -0.05 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.80 3d4y s SER 645 Cb -0.15 -0.79 -0.00 0.00 0.10 0.00 0.00 66.02 65.18 3d4y s SER 645 CO 0.01 -0.48 -0.19 -0.31 0.98 0.00 0.00 173.24 173.25 3d4y s TYR 646 N -2.38 1.96 0.48 5.02 2.02 -1.26 -0.63 117.35 122.55 3d4y s TYR 646 Ca 0.44 -0.64 -0.22 0.00 -0.37 0.00 0.00 57.07 56.28 3d4y s TYR 646 Cb -0.04 -1.32 -0.07 0.00 -0.40 0.00 0.00 41.96 40.12 3d4y s TYR 646 CO 0.27 -0.24 1.12 0.00 -1.57 0.00 0.00 175.55 175.13 3d4y s ALA 647 N 0.16 2.89 0.27 3.71 0.00 -0.70 -4.91 121.76 123.18 3d4y s ALA 647 Ca -0.08 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 3d4y s ALA 647 Cb -0.14 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3d4y s ALA 647 CO 0.04 -0.59 0.59 -1.54 0.00 0.00 0.00 175.76 174.26 3d4y s SER 648 N -1.59 6.56 -0.01 0.00 1.04 0.00 -4.90 113.70 114.81 3d4y s SER 648 Ca 0.66 0.89 0.04 0.00 0.48 0.00 0.00 55.95 58.02 3d4y s SER 648 Cb -0.25 -2.22 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 3d4y s SER 648 CO 0.30 -0.16 -0.12 0.20 0.98 0.00 0.00 173.24 174.43 3d4y s ASN 649 N -2.73 1.41 -0.06 7.02 0.01 -1.26 -0.92 114.94 118.42 3d4y s ASN 649 Ca 0.47 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 52.40 3d4y s ASN 649 Cb -0.11 -0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.42 3d4y s ASN 649 CO 0.25 0.15 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.76 3d4y s LEU 650 N -0.29 0.86 -0.27 0.60 2.96 0.12 -1.02 118.68 121.65 3d4y s LEU 650 Ca 0.05 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 3d4y s LEU 650 Cb -0.05 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.24 3d4y s LEU 650 CO -0.00 -0.14 0.07 -0.22 -1.32 0.00 0.00 176.35 174.73 3d4y s LEU 651 N 1.54 3.58 -0.29 -0.68 1.98 0.06 -0.15 118.68 124.73 3d4y s LEU 651 Ca -0.02 -0.43 -0.07 0.00 -2.89 0.00 0.00 54.13 50.72 3d4y s LEU 651 Cb -0.13 -1.90 -0.00 0.00 0.66 0.00 0.00 46.19 44.82 3d4y s LEU 651 CO -0.03 -0.10 0.09 -0.76 -1.89 0.00 0.00 176.35 173.65 3d4y s LEU 652 N 1.56 3.79 -0.25 -0.68 1.43 0.78 -2.15 118.68 123.15 3d4y s LEU 652 Ca 0.05 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 3d4y s LEU 652 Cb -0.16 -1.90 0.17 0.00 0.03 0.00 0.00 46.19 44.33 3d4y s LEU 652 CO 0.03 -0.16 1.26 0.00 0.23 0.00 0.00 176.35 177.71 3d4y s ARG 653 N 1.54 0.21 0.32 1.70 1.70 -0.15 -1.87 118.95 122.39 3d4y s ARG 653 Ca 0.04 0.07 -0.27 0.00 -0.47 0.00 0.00 55.73 55.10 3d4y s ARG 653 Cb -0.17 0.10 -0.09 0.00 -0.57 0.00 0.00 34.95 34.22 3d4y s ARG 653 CO 0.03 -0.06 1.03 0.15 -1.08 0.00 0.00 175.30 175.37 3d4y s LYS 654 N -0.90 4.51 -0.91 3.89 1.02 -1.26 -4.13 119.74 121.96 3d4y s LYS 654 Ca 0.06 1.59 -0.03 0.00 0.02 0.00 0.00 55.97 57.61 3d4y s LYS 654 Cb -0.01 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 3d4y s LYS 654 CO -0.06 0.16 0.78 -1.71 -0.92 0.00 0.00 175.35 173.59 3d4y n ASN 655 N 0.73 -4.09 -4.79 2.83 5.15 -1.26 -4.96 115.26 108.86 3d4y n ASN 655 Ca 0.01 -0.55 -0.33 0.00 -0.60 0.00 0.00 54.58 53.12 3d4y n ASN 655 Cb 0.47 -4.31 0.03 0.00 -0.53 0.00 0.00 39.78 35.44 3d4y n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3d4y s PRO 656 N -4.58 3.11 0.28 1.20 0.04 -1.26 -5.08 135.00 128.72 3d4y s PRO 656 Ca 0.20 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.61 3d4y s PRO 656 Cb -0.03 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3d4y s PRO 656 CO 0.60 -0.98 -0.14 0.95 0.04 0.00 0.00 177.00 177.47 3d4y s THR 657 N -2.42 2.08 0.74 1.26 -4.23 -1.26 -5.14 115.64 106.67 3d4y s THR 657 Ca 0.65 -2.26 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 3d4y s THR 657 Cb -0.18 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.36 3d4y s THR 657 CO 0.39 -0.38 1.23 -0.94 -0.54 0.00 0.00 174.62 174.38 3d4y s SER 658 N -3.47 4.07 -0.41 3.99 1.04 -1.26 -5.03 113.70 112.62 3d4y s SER 658 Ca 0.29 2.44 0.02 0.00 0.48 0.00 0.00 55.95 59.17 3d4y s SER 658 Cb -0.01 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.65 3d4y s SER 658 CO 0.13 -2.35 0.22 -0.76 0.98 0.00 0.00 173.24 171.45 3d4y s LEU 659 N -5.15 2.42 0.45 2.42 1.43 -1.26 -5.12 118.68 113.88 3d4y s LEU 659 Ca 0.76 -2.45 -0.23 0.00 -1.03 0.00 0.00 54.13 51.18 3d4y s LEU 659 Cb -0.31 -0.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.89 3d4y s LEU 659 CO 0.46 -0.29 1.12 -2.16 0.23 0.00 0.00 176.35 175.71 3d4y s PRO 660 N 0.59 3.83 -0.18 1.29 0.04 -1.26 -4.60 135.00 134.70 3d4y s PRO 660 Ca 0.17 1.65 0.17 0.00 0.04 0.00 0.00 61.00 63.02 3d4y s PRO 660 Cb -0.24 -2.37 0.45 0.00 0.04 0.00 0.00 34.50 32.39 3d4y s PRO 660 CO -0.02 -0.46 1.18 1.28 0.04 0.00 0.00 177.00 179.01 3d4y n LEU 661 N -0.51 2.53 0.00 -3.56 4.77 -1.26 -4.64 117.00 114.33 3d4y n LEU 661 Ca 0.07 -3.41 0.00 0.00 -0.03 0.00 0.00 56.01 52.64 3d4y n LEU 661 Cb 0.49 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3d4y n LEU 661 CO 0.45 1.25 0.00 0.61 -1.33 0.00 0.00 177.39 178.38 3d4y n GLY 662 N -0.49 3.73 0.18 -0.72 0.00 -1.26 -1.69 105.19 104.93 3d4y n GLY 662 Ca 0.19 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.32 3d4y n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d4y n GLN 663 N 13.80 1.05 -1.67 1.61 6.02 -1.26 -4.93 117.38 132.01 3d4y n GLN 663 Ca 0.00 -0.36 -0.46 0.00 -0.01 0.00 0.00 57.00 56.17 3d4y n GLN 663 Cb 0.00 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.73 3d4y n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3d4y n TYR 664 N -0.66 2.23 1.64 1.08 9.36 -0.68 -4.85 117.16 125.28 3d4y n TYR 664 Ca 0.19 0.31 0.05 0.00 3.32 0.00 0.00 57.90 61.77 3d4y n TYR 664 Cb 0.25 -2.52 0.23 0.00 -0.63 0.00 0.00 39.34 36.66 3d4y n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d4y n PRO 665 N 3.12 1.28 -3.99 2.98 -0.04 -1.26 -4.73 135.00 132.36 3d4y n PRO 665 Ca 0.16 -0.43 -0.18 0.00 -0.04 0.00 0.00 63.50 63.00 3d4y n PRO 665 Cb 0.29 -1.19 -0.16 0.00 -0.04 0.00 0.00 33.50 32.40 3d4y n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3d4y s GLU 666 N -1.87 0.47 0.36 0.54 2.12 -1.26 -5.13 118.70 113.93 3d4y s GLU 666 Ca 0.17 0.02 -0.26 0.00 0.36 0.00 0.00 54.97 55.26 3d4y s GLU 666 Cb 0.08 -0.61 -0.09 0.00 0.26 0.00 0.00 34.13 33.78 3d4y s GLU 666 CO 0.13 -0.12 1.12 -0.51 -0.54 0.00 0.00 175.26 175.34 3d4y s ASP 667 N 1.02 6.83 0.30 -1.70 1.01 -1.26 -4.92 116.67 117.96 3d4y s ASP 667 Ca -0.10 2.26 -0.29 0.00 0.71 0.00 0.00 52.55 55.13 3d4y s ASP 667 Cb -0.14 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.08 3d4y s ASP 667 CO -0.01 -0.45 1.32 -0.69 0.21 0.00 0.00 175.17 175.54 3d4y s VAL 668 N -1.38 2.80 0.17 -1.27 1.01 -1.26 -4.71 120.40 115.76 3d4y s VAL 668 Ca 0.53 0.76 0.01 0.00 0.00 0.00 0.00 61.98 63.27 3d4y s VAL 668 Cb -0.29 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3d4y s VAL 668 CO 0.37 0.16 0.34 -0.54 0.00 0.00 0.00 175.10 175.43 3d4y s LYS 669 N -1.34 3.48 0.25 2.72 3.01 -0.19 -4.96 119.74 122.71 3d4y s LYS 669 Ca 0.51 -0.45 0.09 0.00 -1.01 0.00 0.00 55.97 55.11 3d4y s LYS 669 Cb -0.39 -2.90 -0.05 0.00 -1.01 0.00 0.00 37.83 33.47 3d4y s LYS 669 CO 0.49 0.46 -0.13 -0.06 0.51 0.00 0.00 175.35 176.62 3d4y s PHE 670 N -1.80 1.95 -0.09 3.18 0.40 -1.26 -0.76 117.98 119.60 3d4y s PHE 670 Ca 0.37 -0.54 -0.31 0.00 -0.60 0.00 0.00 56.93 55.84 3d4y s PHE 670 Cb -0.11 -0.95 0.12 0.00 0.51 0.00 0.00 43.02 42.59 3d4y s PHE 670 CO 0.29 0.44 1.02 0.20 0.70 0.00 0.00 175.22 177.87 3d4y s GLY 671 N -3.41 -0.38 0.59 4.36 0.00 -0.91 -4.90 107.32 102.66 3d4y s GLY 671 Ca 0.26 1.33 -0.16 0.00 0.00 0.00 0.00 44.72 46.16 3d4y s GLY 671 CO 0.11 0.47 1.06 0.99 0.00 0.00 0.00 173.10 175.72 3d4y s ASP 672 N -2.25 5.81 0.11 1.64 1.01 -1.26 -0.98 116.67 120.75 3d4y s ASP 672 Ca 0.06 1.83 -0.35 0.00 0.71 0.00 0.00 52.55 54.80 3d4y s ASP 672 Cb -0.01 -2.54 -0.16 0.00 1.01 0.00 0.00 42.92 41.22 3d4y s ASP 672 CO -0.07 -1.15 1.27 -2.65 0.21 0.00 0.00 175.17 172.78 3d4y n PRO 673 N -1.96 1.12 -3.61 8.23 -0.02 -1.26 -4.64 135.00 132.86 3d4y n PRO 673 Ca 0.09 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3d4y n PRO 673 Cb 0.53 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 3d4y n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3d4y s ARG 674 N 0.17 1.08 0.35 -0.52 1.70 -1.26 -5.00 118.95 115.48 3d4y s ARG 674 Ca 0.81 -0.65 -0.28 0.00 -0.47 0.00 0.00 55.73 55.14 3d4y s ARG 674 Cb -0.93 0.48 -0.09 0.00 -0.57 0.00 0.00 34.95 33.84 3d4y s ARG 674 CO 0.49 -0.43 1.25 -1.21 -1.08 0.00 0.00 175.30 174.33 3d4y s GLU 675 N -3.68 4.25 0.11 3.89 2.02 -1.26 -4.22 118.70 119.81 3d4y s GLU 675 Ca 0.02 2.08 0.01 0.00 0.02 0.00 0.00 54.97 57.10 3d4y s GLU 675 Cb 0.01 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 3d4y s GLU 675 CO -0.11 -0.23 -0.04 0.96 0.02 0.00 0.00 175.26 175.86 3d4y s ILE 676 N -1.22 0.61 -0.01 -1.63 -4.36 -1.04 -4.98 121.20 108.57 3d4y s ILE 676 Ca 0.52 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 59.00 3d4y s ILE 676 Cb -0.37 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.55 3d4y s ILE 676 CO 0.48 -0.77 -0.08 -0.55 0.24 0.00 0.00 174.94 174.25 3d4y s SER 677 N -3.06 1.03 0.04 4.36 0.15 -1.26 -0.33 113.70 114.62 3d4y s SER 677 Ca 0.15 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.66 3d4y s SER 677 Cb 0.06 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3d4y s SER 677 CO -0.03 0.10 -0.07 -0.76 1.20 0.00 0.00 173.24 173.68 3d4y s LEU 678 N -0.12 2.26 -0.07 3.45 1.43 0.06 -4.98 118.68 120.71 3d4y s LEU 678 Ca 0.02 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3d4y s LEU 678 Cb -0.04 -0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.10 3d4y s LEU 678 CO -0.00 -0.23 0.16 -0.60 0.23 0.00 0.00 176.35 175.91 3d4y s ARG 679 N -1.63 0.09 -0.13 1.70 3.52 -1.26 -1.11 118.95 120.12 3d4y s ARG 679 Ca -0.10 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 55.88 3d4y s ARG 679 Cb -0.10 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 3d4y s ARG 679 CO 0.00 -0.19 0.01 0.08 -0.81 0.00 0.00 175.30 174.39 3d4y s VAL 680 N 1.39 4.36 0.00 7.11 1.01 -1.26 -5.02 120.40 127.99 3d4y s VAL 680 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3d4y s VAL 680 Cb -0.12 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3d4y s VAL 680 CO -0.06 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3d4y n GLY 681 N 2.92 2.12 0.67 4.51 0.00 -1.26 -1.50 105.19 112.65 3d4y n GLY 681 Ca -0.18 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3d4y n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4y n ASN 682 N 0.69 2.03 -2.70 1.61 3.02 -1.26 -4.97 115.26 113.68 3d4y n ASN 682 Ca 0.00 -1.75 -0.04 0.00 -0.03 0.00 0.00 54.58 52.76 3d4y n ASN 682 Cb 0.00 -0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 3d4y n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d4y n GLY 683 N 1.21 -2.67 3.77 7.41 0.00 -0.56 -4.93 105.19 109.42 3d4y n GLY 683 Ca 0.17 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3d4y n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d4y s PRO 684 N -3.32 2.34 -0.21 1.61 0.04 -1.26 -4.77 135.00 129.43 3d4y s PRO 684 Ca 0.09 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 3d4y s PRO 684 Cb -0.01 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3d4y s PRO 684 CO 0.07 -1.58 0.18 0.99 0.04 0.00 0.00 177.00 176.70 3d4y s THR 685 N -2.85 5.36 -0.07 1.26 2.01 -0.23 -4.25 115.64 116.86 3d4y s THR 685 Ca 0.62 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.89 3d4y s THR 685 Cb -0.17 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3d4y s THR 685 CO 0.55 0.38 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.99 3d4y s LEU 686 N 0.75 2.92 0.00 4.42 1.43 -0.27 -0.54 118.68 127.39 3d4y s LEU 686 Ca 0.09 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3d4y s LEU 686 Cb -0.13 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3d4y s LEU 686 CO 0.02 0.32 -0.11 0.00 0.23 0.00 0.00 176.35 176.81 3d4y s ALA 687 N -0.56 2.85 0.06 4.21 0.00 -0.35 -0.76 121.76 127.20 3d4y s ALA 687 Ca 0.08 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.07 3d4y s ALA 687 Cb -0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3d4y s ALA 687 CO 0.02 0.59 -0.23 -0.06 0.00 0.00 0.00 175.76 176.08 3d4y s PHE 688 N -0.92 1.99 1.05 0.00 0.40 0.55 0.04 117.98 121.08 3d4y s PHE 688 Ca 0.15 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 3d4y s PHE 688 Cb -0.11 -1.16 0.22 0.00 0.51 0.00 0.00 43.02 42.48 3d4y s PHE 688 CO 0.05 0.14 1.09 -1.54 0.70 0.00 0.00 175.22 175.66 3d4y s SER 689 N -1.37 2.14 0.03 1.36 1.04 0.88 -2.51 113.70 115.27 3d4y s SER 689 Ca 0.09 1.13 0.18 0.00 0.48 0.00 0.00 55.95 57.84 3d4y s SER 689 Cb -0.09 -1.77 0.77 0.00 0.10 0.00 0.00 66.02 65.02 3d4y s SER 689 CO 0.03 -3.43 1.58 -1.84 0.98 0.00 0.00 173.24 170.55 3d4y n GLU 690 N -4.36 0.03 -0.12 4.02 0.28 -1.26 -0.96 120.64 118.26 3d4y n GLU 690 Ca 0.06 0.23 0.10 0.00 -0.16 0.00 0.00 57.16 57.38 3d4y n GLU 690 Cb 0.57 -1.55 0.31 0.00 1.43 0.00 0.00 31.44 32.20 3d4y n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3d4y n GLN 691 N -1.60 1.92 -0.88 3.44 6.02 -1.26 -4.42 117.38 120.59 3d4y n GLN 691 Ca 0.04 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 3d4y n GLN 691 Cb 0.21 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3d4y n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d4y n GLY 692 N 1.21 0.47 3.70 1.08 0.00 -0.13 -4.90 105.19 106.61 3d4y n GLY 692 Ca 0.16 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 3d4y n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4y s LEU 693 N 0.00 3.66 0.37 0.99 1.43 -1.26 -4.72 118.68 119.15 3d4y s LEU 693 Ca 0.00 0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 3d4y s LEU 693 Cb 0.00 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 44.22 3d4y s LEU 693 CO 0.00 0.36 1.40 -0.11 0.23 0.00 0.00 176.35 178.23 3d4y n LEU 694 N 1.98 4.30 0.00 1.79 7.94 -1.26 -0.08 117.00 131.67 3d4y n LEU 694 Ca -0.18 1.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3d4y n LEU 694 Cb 0.54 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.92 3d4y n LEU 694 CO 0.30 -0.14 -0.47 1.17 -1.11 0.00 0.00 177.39 177.14 3d4y n LYS 695 N 0.43 2.74 -3.52 1.96 4.81 0.11 -2.24 118.16 122.44 3d4y n LYS 695 Ca 0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.37 3d4y n LYS 695 Cb 0.38 -0.97 -0.02 0.00 0.02 0.00 0.00 35.03 34.44 3d4y n LYS 695 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3d4y s SER 696 N -3.16 -0.47 -0.03 3.14 1.04 -1.05 -1.18 113.70 111.99 3d4y s SER 696 Ca 0.00 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.32 3d4y s SER 696 Cb 0.00 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3d4y s SER 696 CO 0.00 -0.98 -0.04 -0.63 0.98 0.00 0.00 173.24 172.57 3d4y s ILE 697 N -3.66 0.44 -0.25 -1.02 1.01 -0.62 -1.21 121.20 115.89 3d4y s ILE 697 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3d4y s ILE 697 Cb -0.02 -0.47 0.04 0.00 0.01 0.00 0.00 42.46 42.03 3d4y s ILE 697 CO -0.08 0.19 -0.09 -1.58 0.00 0.00 0.00 174.94 173.38 3d4y s GLN 698 N 0.75 2.57 0.14 2.79 0.74 0.29 -0.59 119.66 126.35 3d4y s GLN 698 Ca -0.09 -1.14 -0.15 0.00 0.05 0.00 0.00 55.36 54.02 3d4y s GLN 698 Cb -0.12 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.09 3d4y s GLN 698 CO -0.00 -0.47 1.70 -0.07 -0.55 0.00 0.00 175.29 175.90 3d4y h LEU 699 N 7.90 0.61 -8.75 3.68 3.38 -1.86 -0.59 115.31 119.68 3d4y h LEU 699 Ca -0.28 -0.16 -0.31 0.00 0.09 0.00 0.00 57.88 57.22 3d4y h LEU 699 Cb 1.08 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 3d4y h LEU 699 CO 0.53 0.60 -0.64 0.42 0.09 0.00 0.00 178.44 179.45 3d4y s THR 700 N -5.57 0.55 0.42 0.22 -4.23 -1.26 -4.12 115.64 101.64 3d4y s THR 700 Ca -0.13 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.48 3d4y s THR 700 Cb 0.11 -2.40 0.29 0.00 1.34 0.00 0.00 72.50 71.84 3d4y s THR 700 CO 0.76 -0.21 2.03 1.56 -0.54 0.00 0.00 174.62 178.22 3d4y h GLN 701 N 2.55 0.50 0.00 3.99 4.20 -1.92 -1.64 115.11 122.77 3d4y h GLN 701 Ca -0.37 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3d4y h GLN 701 Cb 1.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3d4y h GLN 701 CO 0.61 0.33 -0.77 0.38 -0.67 0.00 0.00 178.83 178.71 3d4y h ASP 702 N 0.51 0.00 -4.55 1.46 2.03 -1.98 -3.49 116.42 110.40 3d4y h ASP 702 Ca 0.20 -0.15 -0.47 0.00 -0.73 0.00 0.00 57.03 55.87 3d4y h ASP 702 Cb 0.15 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 38.75 3d4y h ASP 702 CO -0.05 0.08 0.40 -0.94 -1.03 0.00 0.00 179.24 177.69 3d4y s SER 703 N -4.63 4.51 0.52 4.15 1.04 -0.62 -5.03 113.70 113.64 3d4y s SER 703 Ca 0.04 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 3d4y s SER 703 Cb 0.12 -1.40 -0.07 0.00 0.10 0.00 0.00 66.02 64.77 3d4y s SER 703 CO 0.75 -1.91 1.01 -2.84 0.98 0.00 0.00 173.24 171.23 3d4y s PRO 704 N -5.51 3.77 -0.52 4.02 0.02 -1.26 -4.83 135.00 130.69 3d4y s PRO 704 Ca 0.62 1.13 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 3d4y s PRO 704 Cb -0.11 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.33 3d4y s PRO 704 CO 0.50 -0.43 1.23 -1.01 -0.33 0.00 0.00 177.00 176.96 3d4y s HIS 705 N -2.40 2.61 -0.22 6.54 3.76 -1.26 -4.36 115.29 119.95 3d4y s HIS 705 Ca 0.62 0.56 -0.21 0.00 -0.15 0.00 0.00 55.06 55.89 3d4y s HIS 705 Cb -0.13 -4.45 -0.02 0.00 1.11 0.00 0.00 32.58 29.09 3d4y s HIS 705 CO 0.28 -1.59 0.63 0.08 -0.85 0.00 0.00 174.74 173.30 3d4y s VAL 706 N 5.00 5.00 0.02 -0.90 1.01 0.24 -4.85 120.40 125.93 3d4y s VAL 706 Ca 0.48 1.17 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 3d4y s VAL 706 Cb -0.09 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3d4y s VAL 706 CO 0.29 0.08 1.96 -2.65 0.00 0.00 0.00 175.10 174.77 3d4y n PRO 707 N 5.30 2.77 -3.48 2.72 -0.02 -1.26 -1.58 135.00 139.45 3d4y n PRO 707 Ca -0.01 1.01 -0.21 0.00 -2.02 0.00 0.00 63.50 62.27 3d4y n PRO 707 Cb 0.49 -2.95 -0.13 0.00 -0.02 0.00 0.00 33.50 30.90 3d4y n PRO 707 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d4y s VAL 708 N 4.35 -0.27 -0.20 -1.45 1.01 -0.33 -4.21 120.40 119.30 3d4y s VAL 708 Ca 0.89 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 3d4y s VAL 708 Cb -0.48 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3d4y s VAL 708 CO 0.43 -0.46 -0.06 -1.00 0.00 0.00 0.00 175.10 174.01 3d4y s HIS 709 N 2.26 2.94 0.28 5.22 3.76 -0.31 -2.84 115.29 126.61 3d4y s HIS 709 Ca 0.08 -0.83 -0.26 0.00 -0.15 0.00 0.00 55.06 53.90 3d4y s HIS 709 Cb -0.15 -2.05 -0.09 0.00 1.11 0.00 0.00 32.58 31.40 3d4y s HIS 709 CO -0.27 -0.44 0.90 -0.06 -0.85 0.00 0.00 174.74 174.02 3d4y s PHE 710 N 1.19 3.76 -0.05 1.40 0.08 -0.95 -0.79 117.98 122.61 3d4y s PHE 710 Ca 0.02 1.75 -0.11 0.00 0.12 0.00 0.00 56.93 58.71 3d4y s PHE 710 Cb -0.14 -2.88 0.02 0.00 -0.57 0.00 0.00 43.02 39.44 3d4y s PHE 710 CO -0.01 0.30 0.27 0.21 -0.10 0.00 0.00 175.22 175.88 3d4y s LYS 711 N -1.82 0.49 -0.14 0.44 2.20 0.27 -4.77 119.74 116.43 3d4y s LYS 711 Ca 0.47 0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 56.07 3d4y s LYS 711 Cb -0.20 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 3d4y s LYS 711 CO 0.25 -0.11 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.05 3d4y s PHE 712 N -0.70 3.06 0.25 4.03 0.40 -1.26 0.16 117.98 123.92 3d4y s PHE 712 Ca -0.08 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 3d4y s PHE 712 Cb -0.04 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.51 3d4y s PHE 712 CO 0.02 0.09 0.07 -0.51 0.70 0.00 0.00 175.22 175.60 3d4y s LEU 713 N 0.07 1.77 -0.02 -0.37 1.02 -0.22 -1.07 118.68 119.87 3d4y s LEU 713 Ca 0.00 -1.34 0.04 0.00 0.02 0.00 0.00 54.13 52.85 3d4y s LEU 713 Cb -0.13 -0.02 -0.01 0.00 0.02 0.00 0.00 46.19 46.05 3d4y s LEU 713 CO 0.02 -0.69 -0.13 -1.59 0.02 0.00 0.00 176.35 173.99 3d4y s LYS 714 N -4.00 1.16 0.17 1.70 -2.85 0.29 -1.00 119.74 115.21 3d4y s LYS 714 Ca 0.35 -0.47 -0.03 0.00 -1.00 0.00 0.00 55.97 54.82 3d4y s LYS 714 Cb 0.07 -1.10 -0.05 0.00 -2.06 0.00 0.00 37.83 34.70 3d4y s LYS 714 CO 0.12 0.26 0.39 0.71 0.10 0.00 0.00 175.35 176.92 3d4y s TYR 715 N -0.19 3.48 0.00 1.78 2.02 0.69 -1.24 117.35 123.89 3d4y s TYR 715 Ca 0.03 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 3d4y s TYR 715 Cb -0.07 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 3d4y s TYR 715 CO -0.00 0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.79 3d4y n GLY 716 N -0.27 3.73 3.35 0.71 0.00 -1.26 -1.11 105.19 110.33 3d4y n GLY 716 Ca -0.03 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.65 3d4y n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d4y s VAL 717 N 0.62 1.87 0.23 1.61 1.01 -1.26 -3.19 120.40 121.31 3d4y s VAL 717 Ca 0.00 -1.98 -0.30 0.00 0.00 0.00 0.00 61.98 59.71 3d4y s VAL 717 Cb 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 3d4y s VAL 717 CO 0.00 -0.34 1.13 -0.13 0.00 0.00 0.00 175.10 175.77 3d4y s ARG 718 N -2.91 4.58 0.03 2.72 0.52 -1.25 -4.47 118.95 118.16 3d4y s ARG 718 Ca 0.17 1.82 -0.16 0.00 -0.52 0.00 0.00 55.73 57.04 3d4y s ARG 718 Cb -0.05 -3.22 -0.31 0.00 0.52 0.00 0.00 34.95 31.89 3d4y s ARG 718 CO 0.07 0.09 1.05 0.66 0.02 0.00 0.00 175.30 177.19 3d4y h SER 719 N 4.46 0.80 -3.11 0.23 4.64 -1.97 -3.45 113.55 115.15 3d4y h SER 719 Ca -0.46 -0.86 -0.64 0.00 -0.47 0.00 0.00 61.79 59.37 3d4y h SER 719 Cb 1.21 -0.26 -0.16 0.00 -0.31 0.00 0.00 62.40 62.89 3d4y h SER 719 CO 0.70 1.59 -0.75 -1.38 -0.87 0.00 0.00 176.83 176.12 3d4y s HIS 720 N -2.83 2.54 0.00 4.77 0.00 -1.26 -5.04 115.29 113.47 3d4y s HIS 720 Ca -0.10 -0.26 0.00 0.00 -3.00 0.00 0.00 55.06 51.70 3d4y s HIS 720 Cb 0.04 -1.26 0.00 0.00 -4.00 0.00 0.00 32.58 27.37 3d4y s HIS 720 CO 0.92 0.50 0.00 0.41 -1.00 0.00 0.00 174.74 175.57 3d4y n GLY 721 N 0.16 -1.06 3.75 -1.38 0.00 -1.26 -4.94 105.19 100.46 3d4y n GLY 721 Ca -0.12 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 3d4y n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d4y s ASP 722 N -4.00 7.58 -0.14 1.61 1.01 -1.26 -4.98 116.67 116.49 3d4y s ASP 722 Ca 0.00 1.87 -0.08 0.00 0.71 0.00 0.00 52.55 55.05 3d4y s ASP 722 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3d4y s ASP 722 CO 0.00 0.14 0.15 -0.13 0.21 0.00 0.00 175.17 175.54 3d4y s ARG 723 N -1.00 3.70 0.57 8.23 3.00 -1.26 -4.53 118.95 127.65 3d4y s ARG 723 Ca 0.41 -0.13 -0.21 0.00 0.00 0.00 0.00 55.73 55.80 3d4y s ARG 723 Cb -0.25 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.39 3d4y s ARG 723 CO 0.31 0.62 1.32 0.43 0.00 0.00 0.00 175.30 177.97 3d4y n SER 724 N 2.46 2.42 0.00 0.23 7.64 -1.26 -4.49 113.62 120.62 3d4y n SER 724 Ca -0.18 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3d4y n SER 724 Cb 0.54 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3d4y n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4y n GLY 725 N 0.83 4.20 0.36 0.23 0.00 -0.80 -4.59 105.19 105.43 3d4y n GLY 725 Ca 0.12 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.17 3d4y n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d4y h ALA 726 N 1.48 1.76 0.00 4.61 0.00 -1.85 -3.17 119.26 122.08 3d4y h ALA 726 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3d4y h ALA 726 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3d4y h ALA 726 CO 0.00 0.08 -1.36 0.66 0.00 0.00 0.00 179.25 178.63 3d4y n TYR 727 N -4.50 0.95 -3.72 0.00 4.02 -1.26 -2.79 117.16 109.85 3d4y n TYR 727 Ca 0.13 0.41 -0.36 0.00 -0.01 0.00 0.00 57.90 58.07 3d4y n TYR 727 Cb 0.32 -1.10 -0.06 0.00 -0.02 0.00 0.00 39.34 38.49 3d4y n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d4y s LEU 728 N -7.83 4.39 -0.30 7.72 1.43 -1.20 -0.97 118.68 121.91 3d4y s LEU 728 Ca -0.29 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3d4y s LEU 728 Cb 0.07 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.74 3d4y s LEU 728 CO 0.59 0.28 0.01 0.12 0.23 0.00 0.00 176.35 177.58 3d4y s PHE 729 N -1.23 3.24 -0.58 0.29 5.36 -1.15 -1.90 117.98 122.01 3d4y s PHE 729 Ca 0.25 -1.74 0.05 0.00 -0.96 0.00 0.00 56.93 54.54 3d4y s PHE 729 Cb -0.14 -2.14 0.20 0.00 -0.34 0.00 0.00 43.02 40.61 3d4y s PHE 729 CO 0.14 -0.78 0.53 1.28 -1.46 0.00 0.00 175.22 174.93 3d4y n LEU 730 N 4.67 2.04 -4.77 6.12 4.77 -1.26 -4.65 117.00 123.92 3d4y n LEU 730 Ca -0.13 -5.01 -0.34 0.00 -0.03 0.00 0.00 56.01 50.49 3d4y n LEU 730 Cb 0.44 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3d4y n LEU 730 CO 0.27 1.90 0.76 -2.16 -1.33 0.00 0.00 177.39 176.84 3d4y s PRO 731 N -1.35 3.07 -1.21 3.23 0.04 -1.26 -3.87 135.00 133.66 3d4y s PRO 731 Ca 0.32 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 3d4y s PRO 731 Cb 0.05 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.66 3d4y s PRO 731 CO -0.13 -1.05 2.64 0.27 0.04 0.00 0.00 177.00 178.77 3d4y n ASN 732 N -1.86 7.86 0.00 6.66 6.94 -1.19 -4.76 115.26 128.91 3d4y n ASN 732 Ca 0.11 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.69 3d4y n ASN 732 Cb 0.51 -1.39 0.00 0.00 -2.36 0.00 0.00 39.78 36.54 3d4y n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d4y n GLY 733 N 2.07 1.49 3.42 4.83 0.00 -1.26 -4.83 105.19 110.92 3d4y n GLY 733 Ca 0.63 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 3d4y n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d4y n PRO 734 N 1.57 0.27 -2.34 1.61 -0.02 -1.26 -4.81 135.00 130.02 3d4y n PRO 734 Ca 0.00 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 3d4y n PRO 734 Cb 0.00 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 3d4y n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d4y s ALA 735 N -1.91 2.76 0.02 3.55 0.00 -1.26 -4.93 121.76 119.99 3d4y s ALA 735 Ca 0.63 0.68 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3d4y s ALA 735 Cb -0.36 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3d4y s ALA 735 CO 0.60 -0.60 -0.01 -1.12 0.00 0.00 0.00 175.76 174.63 3d4y s SER 736 N -2.00 5.01 0.34 0.00 0.01 -0.37 -4.83 113.70 111.86 3d4y s SER 736 Ca 0.69 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 57.60 3d4y s SER 736 Cb -0.20 -1.26 -0.10 0.00 0.21 0.00 0.00 66.02 64.67 3d4y s SER 736 CO 0.25 0.26 1.33 -2.84 0.41 0.00 0.00 173.24 172.65 3d4y s PRO 737 N -1.70 4.31 0.08 12.44 0.02 -1.26 -0.55 135.00 148.34 3d4y s PRO 737 Ca 0.20 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 63.17 3d4y s PRO 737 Cb -0.11 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 3d4y s PRO 737 CO 0.11 -0.24 1.32 0.08 -0.33 0.00 0.00 177.00 177.94 3d4y s VAL 738 N -1.15 3.62 -0.18 3.83 1.01 -0.23 -4.80 120.40 122.50 3d4y s VAL 738 Ca 0.50 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 3d4y s VAL 738 Cb -0.40 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3d4y s VAL 738 CO 0.54 0.08 1.31 -1.61 0.00 0.00 0.00 175.10 175.42 3d4y s GLU 739 N 1.21 4.17 -0.02 2.72 2.02 -1.26 -4.91 118.70 122.63 3d4y s GLU 739 Ca 0.62 1.65 0.04 0.00 0.02 0.00 0.00 54.97 57.30 3d4y s GLU 739 Cb -0.34 -3.81 -0.25 0.00 0.10 0.00 0.00 34.13 29.84 3d4y s GLU 739 CO 0.29 -0.79 0.76 -0.07 0.02 0.00 0.00 175.26 175.47 3d4y h LEU 740 N 9.98 0.19 0.00 1.80 3.38 -1.98 -3.44 115.31 125.25 3d4y h LEU 740 Ca -0.28 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3d4y h LEU 740 Cb 1.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3d4y h LEU 740 CO 0.98 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.40 3d4y n GLY 741 N 1.63 1.28 3.08 0.83 0.00 -1.26 -4.03 105.19 106.72 3d4y n GLY 741 Ca -0.17 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 3d4y n GLY 741 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d4y s GLN 742 N 0.00 2.26 0.61 1.61 2.00 -1.26 -5.06 119.66 119.81 3d4y s GLN 742 Ca 0.00 -2.29 -0.15 0.00 -2.00 0.00 0.00 55.36 50.92 3d4y s GLN 742 Cb 0.00 -3.61 -0.03 0.00 0.80 0.00 0.00 33.01 30.18 3d4y s GLN 742 CO 0.00 -1.12 1.06 -1.25 -0.50 0.00 0.00 175.29 173.47 3d4y s PRO 743 N 0.33 3.26 0.01 1.67 0.04 -1.26 -4.94 135.00 134.11 3d4y s PRO 743 Ca 0.14 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 3d4y s PRO 743 Cb -0.22 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3d4y s PRO 743 CO -0.03 -0.86 1.08 0.08 0.04 0.00 0.00 177.00 177.31 3d4y s VAL 744 N -2.56 4.52 -0.16 -0.36 1.01 -1.26 -4.83 120.40 116.76 3d4y s VAL 744 Ca 0.62 1.81 0.01 0.00 0.00 0.00 0.00 61.98 64.42 3d4y s VAL 744 Cb -0.16 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3d4y s VAL 744 CO 0.40 0.12 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 3d4y s VAL 745 N 1.23 2.47 -0.17 2.92 1.01 -0.78 -2.16 120.40 124.93 3d4y s VAL 745 Ca 0.54 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3d4y s VAL 745 Cb -0.24 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3d4y s VAL 745 CO 0.27 0.52 -0.06 -0.22 0.00 0.00 0.00 175.10 175.61 3d4y s LEU 746 N 0.97 3.05 -0.14 3.92 2.96 0.11 -0.16 118.68 129.39 3d4y s LEU 746 Ca -0.03 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3d4y s LEU 746 Cb -0.15 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3d4y s LEU 746 CO -0.03 0.12 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.21 3d4y s VAL 747 N 0.63 2.08 -0.11 1.68 1.01 0.79 -0.44 120.40 126.03 3d4y s VAL 747 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3d4y s VAL 747 Cb -0.15 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3d4y s VAL 747 CO 0.02 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.58 3d4y s THR 748 N 0.77 2.35 -0.20 3.92 2.01 0.04 0.13 115.64 124.67 3d4y s THR 748 Ca -0.08 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3d4y s THR 748 Cb -0.16 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.46 3d4y s THR 748 CO -0.01 0.55 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.60 3d4y s LYS 749 N 0.42 2.12 0.23 4.92 2.20 -0.10 -0.48 119.74 129.05 3d4y s LYS 749 Ca -0.15 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.63 3d4y s LYS 749 Cb -0.17 -2.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.67 3d4y s LYS 749 CO 0.07 -0.41 0.05 0.20 -0.36 0.00 0.00 175.35 174.90 3d4y s GLY 750 N 1.38 1.54 0.18 5.54 0.00 -1.03 -0.82 107.32 114.11 3d4y s GLY 750 Ca -0.01 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 42.93 3d4y s GLY 750 CO -0.08 -1.58 1.44 1.70 0.00 0.00 0.00 173.10 174.57 3d4y h LYS 751 N 2.50 0.42 0.00 2.90 3.64 -1.96 -3.29 116.57 120.77 3d4y h LYS 751 Ca -0.38 -0.33 -0.21 0.00 -1.27 0.00 0.00 60.65 58.46 3d4y h LYS 751 Cb 1.23 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3d4y h LYS 751 CO 0.62 0.97 -2.09 1.28 -2.27 0.00 0.00 179.45 177.96 3d4y n LEU 752 N -3.85 0.15 -3.66 5.20 4.77 -1.26 -4.49 117.00 113.87 3d4y n LEU 752 Ca -0.04 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 3d4y n LEU 752 Cb 0.70 0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.96 3d4y n LEU 752 CO 0.48 0.27 0.27 -0.70 -1.33 0.00 0.00 177.39 176.38 3d4y s GLU 753 N -2.91 0.63 0.20 3.23 2.12 -1.24 -4.47 118.70 116.26 3d4y s GLU 753 Ca -0.08 1.07 0.06 0.00 0.36 0.00 0.00 54.97 56.38 3d4y s GLU 753 Cb 0.09 0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 3d4y s GLU 753 CO 0.85 -0.14 -0.11 -1.12 -0.54 0.00 0.00 175.26 174.20 3d4y s SER 754 N 1.39 2.33 0.03 -1.70 0.01 -0.28 -2.45 113.70 113.02 3d4y s SER 754 Ca -0.08 -1.05 -0.24 0.00 1.31 0.00 0.00 55.95 55.88 3d4y s SER 754 Cb -0.06 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.13 3d4y s SER 754 CO -0.15 -0.26 0.55 -0.94 0.41 0.00 0.00 173.24 172.85 3d4y s SER 755 N -3.29 -0.49 -0.14 2.44 1.04 0.37 -0.68 113.70 112.96 3d4y s SER 755 Ca 0.22 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.96 3d4y s SER 755 Cb 0.01 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.65 3d4y s SER 755 CO 0.06 -0.69 -0.17 -0.69 0.98 0.00 0.00 173.24 172.72 3d4y s VAL 756 N -2.16 1.75 0.04 5.02 1.01 0.06 -0.78 120.40 125.34 3d4y s VAL 756 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3d4y s VAL 756 Cb -0.01 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3d4y s VAL 756 CO 0.01 0.49 -0.23 -0.44 0.00 0.00 0.00 175.10 174.93 3d4y s SER 757 N 1.13 2.75 -0.01 3.32 0.01 0.41 -0.69 113.70 120.62 3d4y s SER 757 Ca -0.02 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3d4y s SER 757 Cb -0.14 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.86 3d4y s SER 757 CO -0.06 0.20 -0.00 0.54 0.41 0.00 0.00 173.24 174.33 3d4y s VAL 758 N -0.80 0.09 -0.69 3.43 0.11 0.30 0.07 120.40 122.92 3d4y s VAL 758 Ca 0.09 0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 58.97 3d4y s VAL 758 Cb -0.09 -0.15 0.09 0.00 -1.53 0.00 0.00 36.38 34.70 3d4y s VAL 758 CO 0.02 0.08 0.94 -0.83 -3.33 0.00 0.00 175.10 171.97 3d4y s GLY 759 N 0.51 1.53 0.31 6.54 0.00 -0.92 -1.13 107.32 114.16 3d4y s GLY 759 Ca -0.05 -2.06 0.06 0.00 0.00 0.00 0.00 44.72 42.68 3d4y s GLY 759 CO -0.01 1.96 0.41 1.08 0.00 0.00 0.00 173.10 176.54 3d4y s LEU 760 N 3.59 4.01 0.11 0.66 1.43 0.25 -4.37 118.68 124.36 3d4y s LEU 760 Ca 0.22 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.84 3d4y s LEU 760 Cb -0.17 -2.70 -0.10 0.00 0.03 0.00 0.00 46.19 43.26 3d4y s LEU 760 CO 0.06 -0.31 1.87 -2.65 0.23 0.00 0.00 176.35 175.55 3d4y n PRO 761 N -1.53 2.82 -0.12 1.29 -0.02 -1.26 -2.28 135.00 133.90 3d4y n PRO 761 Ca -0.03 1.03 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3d4y n PRO 761 Cb 0.58 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3d4y n PRO 761 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3d4y n SER 762 N 6.00 0.00 -3.69 2.55 7.64 -1.26 -4.96 113.62 119.90 3d4y n SER 762 Ca 0.18 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.92 3d4y n SER 762 Cb 0.38 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 63.02 3d4y n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3d4y s VAL 763 N -2.60 -0.24 -0.34 0.44 1.01 -0.97 -0.11 120.40 117.59 3d4y s VAL 763 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 3d4y s VAL 763 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 3d4y s VAL 763 CO 0.00 0.11 0.55 -0.69 0.00 0.00 0.00 175.10 175.07 3d4y s VAL 764 N 1.99 4.99 -0.18 2.92 1.01 -0.19 -0.58 120.40 130.35 3d4y s VAL 764 Ca -0.01 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 3d4y s VAL 764 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3d4y s VAL 764 CO -0.07 -0.19 -0.01 -2.28 0.00 0.00 0.00 175.10 172.55 3d4y s HIS 765 N 2.47 3.05 -0.06 5.22 5.04 -0.29 -1.01 115.29 129.72 3d4y s HIS 765 Ca 0.21 -0.36 0.01 0.00 -1.54 0.00 0.00 55.06 53.38 3d4y s HIS 765 Cb -0.15 -2.04 0.02 0.00 0.04 0.00 0.00 32.58 30.44 3d4y s HIS 765 CO 0.13 -0.14 -0.07 -1.14 -2.34 0.00 0.00 174.74 171.18 3d4y s GLN 766 N 0.74 1.16 -0.20 2.88 0.74 0.25 -0.54 119.66 124.67 3d4y s GLN 766 Ca -0.00 -0.21 -0.05 0.00 0.05 0.00 0.00 55.36 55.14 3d4y s GLN 766 Cb -0.14 -1.08 -0.03 0.00 1.10 0.00 0.00 33.01 32.87 3d4y s GLN 766 CO 0.02 -0.06 0.01 0.99 -0.55 0.00 0.00 175.29 175.70 3d4y s THR 767 N 0.91 4.03 -0.10 -0.34 2.01 0.13 -0.41 115.64 121.87 3d4y s THR 767 Ca -0.11 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.65 3d4y s THR 767 Cb -0.15 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 3d4y s THR 767 CO 0.01 0.42 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.50 3d4y s ILE 768 N 1.03 2.16 -0.15 1.82 1.01 0.97 -0.76 121.20 127.28 3d4y s ILE 768 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.69 3d4y s ILE 768 Cb -0.14 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.51 3d4y s ILE 768 CO 0.02 0.56 -0.18 -0.04 0.00 0.00 0.00 174.94 175.29 3d4y s MET 769 N 0.26 3.12 -0.05 2.79 -1.94 0.15 -0.82 119.30 122.80 3d4y s MET 769 Ca -0.16 -0.80 0.08 0.00 -1.71 0.00 0.00 55.69 53.10 3d4y s MET 769 Cb -0.17 -2.54 0.12 0.00 2.01 0.00 0.00 34.83 34.25 3d4y s MET 769 CO 0.08 -0.01 1.04 0.54 -0.01 0.00 0.00 175.02 176.65 3d4y n ARG 770 N 4.11 2.02 0.00 2.03 1.74 -1.26 -1.12 116.66 124.17 3d4y n ARG 770 Ca -0.20 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 3d4y n ARG 770 Cb 0.52 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3d4y n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d4y n GLY 771 N -0.84 0.73 0.00 -0.13 0.00 -1.26 -4.90 105.19 98.79 3d4y n GLY 771 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3d4y n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d4y n GLY 772 N -1.03 5.46 3.64 -0.02 0.00 -1.26 -3.54 105.19 108.44 3d4y n GLY 772 Ca 0.00 -1.24 -0.46 0.00 0.00 0.00 0.00 46.02 44.32 3d4y n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d4y n ALA 773 N -3.00 0.50 -1.22 4.61 0.00 -1.26 -4.59 120.51 115.54 3d4y n ALA 773 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 3d4y n ALA 773 Cb 0.00 -2.19 0.10 0.00 0.00 0.00 0.00 19.45 17.36 3d4y n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d4y s PRO 774 N -0.49 2.10 -0.15 0.00 0.04 -1.23 -4.78 135.00 130.50 3d4y s PRO 774 Ca 0.69 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 3d4y s PRO 774 Cb -0.71 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3d4y s PRO 774 CO 0.51 -1.80 0.12 -2.00 0.04 0.00 0.00 177.00 173.87 3d4y s GLU 775 N -4.46 3.68 -0.11 4.56 2.12 -0.00 -1.52 118.70 122.97 3d4y s GLU 775 Ca 0.66 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 3d4y s GLU 775 Cb -0.21 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3d4y s GLU 775 CO 0.51 0.58 -0.08 0.42 -0.54 0.00 0.00 175.26 176.15 3d4y s ILE 776 N -0.46 3.55 -0.09 -3.70 -1.09 -0.38 -0.02 121.20 119.01 3d4y s ILE 776 Ca 0.12 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 3d4y s ILE 776 Cb -0.12 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.28 3d4y s ILE 776 CO 0.02 0.55 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.99 3d4y s ARG 777 N -0.18 2.18 -0.19 2.79 0.52 0.45 -0.59 118.95 123.93 3d4y s ARG 777 Ca 0.02 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3d4y s ARG 777 Cb -0.13 -1.77 -0.00 0.00 0.52 0.00 0.00 34.95 33.57 3d4y s ARG 777 CO 0.03 0.03 -0.11 -0.80 0.02 0.00 0.00 175.30 174.47 3d4y s ASN 778 N 0.71 3.87 -0.52 0.23 0.01 -0.18 -0.59 114.94 118.46 3d4y s ASN 778 Ca -0.13 -0.46 -0.22 0.00 -0.71 0.00 0.00 52.86 51.34 3d4y s ASN 778 Cb -0.16 -1.63 0.05 0.00 0.41 0.00 0.00 41.25 39.92 3d4y s ASN 778 CO 0.03 0.02 0.78 -0.22 -1.51 0.00 0.00 177.10 176.21 3d4y s LEU 779 N 1.20 4.51 -0.23 0.60 2.96 -0.18 -0.47 118.68 127.08 3d4y s LEU 779 Ca 0.02 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 3d4y s LEU 779 Cb -0.14 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 3d4y s LEU 779 CO -0.04 -1.05 0.05 -0.69 -1.32 0.00 0.00 176.35 173.29 3d4y s VAL 780 N 3.29 4.21 -0.39 1.68 1.01 0.05 -1.02 120.40 129.22 3d4y s VAL 780 Ca 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3d4y s VAL 780 Cb -0.16 -2.95 0.13 0.00 0.00 0.00 0.00 36.38 33.41 3d4y s VAL 780 CO 0.16 0.38 0.21 -0.62 0.00 0.00 0.00 175.10 175.23 3d4y s ASP 781 N 1.35 3.46 0.00 3.32 2.15 0.84 -2.09 116.67 125.69 3d4y s ASP 781 Ca 0.05 -2.35 0.17 0.00 0.43 0.00 0.00 52.55 50.85 3d4y s ASP 781 Cb -0.15 -0.79 0.87 0.00 -0.30 0.00 0.00 42.92 42.56 3d4y s ASP 781 CO 0.03 -0.30 1.47 0.00 -0.17 0.00 0.00 175.17 176.20 3d4y n ILE 782 N 3.88 0.42 0.00 4.11 3.06 -1.26 -4.42 119.36 125.15 3d4y n ILE 782 Ca 0.08 0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.44 3d4y n ILE 782 Cb 0.36 -0.83 0.00 0.00 0.54 0.00 0.00 39.64 39.71 3d4y n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3d4y n GLY 783 N 0.11 3.40 1.08 4.50 0.00 -1.26 -1.94 105.19 111.08 3d4y n GLY 783 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 3d4y n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d4y n SER 784 N 4.34 2.38 -4.44 1.61 3.41 -1.26 -4.87 113.62 114.79 3d4y n SER 784 Ca 0.00 -3.83 -0.35 0.00 -0.26 0.00 0.00 58.87 54.44 3d4y n SER 784 Cb 0.00 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.30 3d4y n SER 784 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d4y n LEU 785 N -1.12 3.93 -4.75 1.04 4.77 -0.82 -4.96 117.00 115.10 3d4y n LEU 785 Ca 0.31 -3.42 -0.38 0.00 -0.03 0.00 0.00 56.01 52.49 3d4y n LEU 785 Cb 0.96 -1.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 3d4y n LEU 785 CO 0.15 -0.94 0.97 -1.81 -1.33 0.00 0.00 177.39 174.43 3d4y s ASP 786 N 5.48 5.09 -1.31 -1.43 1.01 -1.26 -3.60 116.67 120.66 3d4y s ASP 786 Ca 0.62 2.74 -0.04 0.00 0.71 0.00 0.00 52.55 56.58 3d4y s ASP 786 Cb 0.03 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.34 3d4y s ASP 786 CO 0.11 -1.69 0.95 0.59 0.21 0.00 0.00 175.17 175.34 3d4y n ASN 787 N -1.25 -3.01 -3.95 0.27 3.02 0.87 -4.98 115.26 106.23 3d4y n ASN 787 Ca 0.12 -0.68 -0.12 0.00 -0.03 0.00 0.00 54.58 53.87 3d4y n ASN 787 Cb 0.46 -4.63 -0.13 0.00 -0.61 0.00 0.00 39.78 34.87 3d4y n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d4y s THR 788 N -3.44 0.19 -0.09 3.41 2.01 -0.69 -4.00 115.64 113.03 3d4y s THR 788 Ca 0.21 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.70 3d4y s THR 788 Cb -0.10 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.19 3d4y s THR 788 CO 0.77 -0.21 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.77 3d4y s GLU 789 N -0.76 1.68 -0.20 4.92 2.02 -0.26 -1.16 118.70 124.93 3d4y s GLU 789 Ca -0.07 -0.37 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 3d4y s GLU 789 Cb -0.05 -1.53 -0.05 0.00 0.10 0.00 0.00 34.13 32.60 3d4y s GLU 789 CO -0.00 -0.10 0.13 0.42 0.02 0.00 0.00 175.26 175.73 3d4y s ILE 790 N 1.11 5.38 -0.00 -1.63 1.01 -0.28 -0.22 121.20 126.57 3d4y s ILE 790 Ca -0.06 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.85 3d4y s ILE 790 Cb -0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3d4y s ILE 790 CO -0.02 0.43 -0.25 0.54 0.00 0.00 0.00 174.94 175.64 3d4y s VAL 791 N 0.43 2.01 -0.22 2.92 0.11 -0.17 -0.04 120.40 125.44 3d4y s VAL 791 Ca 0.08 -1.15 -0.09 0.00 -2.93 0.00 0.00 61.98 57.88 3d4y s VAL 791 Cb -0.11 -1.68 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 3d4y s VAL 791 CO -0.01 0.51 0.12 -0.32 -3.33 0.00 0.00 175.10 172.07 3d4y s MET 792 N -0.75 4.03 0.06 1.54 1.75 -0.37 -1.05 119.30 124.51 3d4y s MET 792 Ca 0.10 -0.30 0.09 0.00 -1.25 0.00 0.00 55.69 54.34 3d4y s MET 792 Cb -0.10 -3.42 -0.03 0.00 2.84 0.00 0.00 34.83 34.12 3d4y s MET 792 CO -0.00 0.13 -0.26 0.50 -0.65 0.00 0.00 175.02 174.75 3d4y s ARG 793 N 0.82 1.64 -0.17 4.11 3.52 0.12 -0.63 118.95 128.37 3d4y s ARG 793 Ca 0.06 -1.14 -0.02 0.00 -0.13 0.00 0.00 55.73 54.51 3d4y s ARG 793 Cb -0.13 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 3d4y s ARG 793 CO 0.02 0.48 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.39 3d4y s LEU 794 N -1.41 2.85 -0.16 -0.88 1.43 0.76 -0.56 118.68 120.71 3d4y s LEU 794 Ca 0.11 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3d4y s LEU 794 Cb -0.10 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 3d4y s LEU 794 CO 0.03 0.10 -0.15 -1.61 0.23 0.00 0.00 176.35 174.95 3d4y s GLU 795 N 0.76 3.22 0.41 1.70 2.02 0.03 -1.49 118.70 125.35 3d4y s GLU 795 Ca -0.04 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.26 3d4y s GLU 795 Cb -0.15 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 3d4y s GLU 795 CO 0.02 0.01 0.17 0.95 0.02 0.00 0.00 175.26 176.42 3d4y s THR 796 N 0.83 0.44 -0.24 3.63 -4.23 -0.28 -1.17 115.64 114.61 3d4y s THR 796 Ca -0.05 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.58 3d4y s THR 796 Cb -0.15 -2.33 0.51 0.00 1.34 0.00 0.00 72.50 71.87 3d4y s THR 796 CO -0.00 0.00 1.44 1.41 -0.54 0.00 0.00 174.62 176.93 3d4y n HIS 797 N -0.89 1.01 -2.36 3.99 8.25 -1.26 -4.56 115.22 119.39 3d4y n HIS 797 Ca -0.04 -1.31 -0.41 0.00 -0.26 0.00 0.00 57.72 55.70 3d4y n HIS 797 Cb 0.64 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3d4y n HIS 797 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3d4y s ILE 798 N -3.08 3.51 -1.20 1.59 1.01 -1.26 -4.90 121.20 116.87 3d4y s ILE 798 Ca 0.43 1.29 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 3d4y s ILE 798 Cb 0.38 -3.82 0.23 0.00 0.01 0.00 0.00 42.46 39.25 3d4y s ILE 798 CO 0.03 0.22 1.70 -0.67 0.00 0.00 0.00 174.94 176.22 3d4y n ASP 799 N 2.33 5.64 0.09 3.58 2.03 -1.26 -2.44 116.55 126.53 3d4y n ASP 799 Ca 0.04 -3.23 0.12 0.00 0.52 0.00 0.00 54.79 52.24 3d4y n ASP 799 Cb 0.44 -1.40 0.19 0.00 -0.72 0.00 0.00 41.12 39.64 3d4y n ASP 799 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d4y h SER 800 N 5.66 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.21 3d4y h SER 800 Ca 0.31 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3d4y h SER 800 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3d4y h SER 800 CO 1.49 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 178.12 3d4y n GLY 801 N 1.28 2.87 0.55 -0.77 0.00 -1.26 -2.17 105.19 105.69 3d4y n GLY 801 Ca 0.03 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.85 3d4y n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d4y n ASP 802 N 8.52 2.53 -4.86 1.61 5.68 -1.26 -3.34 116.55 125.43 3d4y n ASP 802 Ca 0.00 -1.80 -0.37 0.00 -0.50 0.00 0.00 54.79 52.12 3d4y n ASP 802 Cb 0.00 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 39.78 3d4y n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3d4y s ILE 803 N -0.96 5.29 0.29 2.12 -1.09 -0.92 0.22 121.20 126.16 3d4y s ILE 803 Ca 0.19 0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 58.90 3d4y s ILE 803 Cb 0.11 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.46 3d4y s ILE 803 CO 0.15 0.56 0.61 0.72 -1.23 0.00 0.00 174.94 175.75 3d4y s PHE 804 N -1.09 0.22 -0.01 3.97 -0.71 -0.75 -4.71 117.98 114.89 3d4y s PHE 804 Ca 0.20 -0.66 0.02 0.00 -1.04 0.00 0.00 56.93 55.46 3d4y s PHE 804 Cb -0.14 0.45 -0.00 0.00 -1.21 0.00 0.00 43.02 42.12 3d4y s PHE 804 CO 0.09 -1.20 -0.08 0.71 -1.34 0.00 0.00 175.22 173.40 3d4y s TYR 805 N -3.56 0.80 0.07 3.49 1.51 -0.30 0.63 117.35 120.00 3d4y s TYR 805 Ca 0.18 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 3d4y s TYR 805 Cb -0.03 -0.55 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 3d4y s TYR 805 CO 0.10 -0.05 -0.09 0.95 -1.11 0.00 0.00 175.55 175.35 3d4y s THR 806 N -0.00 0.76 0.56 -0.71 -4.23 -0.84 -0.72 115.64 110.46 3d4y s THR 806 Ca 0.00 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 3d4y s THR 806 Cb -0.06 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 3d4y s THR 806 CO -0.00 -0.51 0.88 1.51 -0.54 0.00 0.00 174.62 175.96 3d4y s ASP 807 N -2.15 5.93 -0.23 3.99 -4.77 -0.62 -0.91 116.67 117.91 3d4y s ASP 807 Ca -0.00 0.90 0.01 0.00 -3.30 0.00 0.00 52.55 50.16 3d4y s ASP 807 Cb -0.05 -2.02 0.04 0.00 -1.09 0.00 0.00 42.92 39.80 3d4y s ASP 807 CO -0.00 -0.86 -0.12 -0.76 0.70 0.00 0.00 175.17 174.12 3d4y s LEU 808 N -4.93 2.96 -1.27 2.11 1.43 0.16 -4.35 118.68 114.79 3d4y s LEU 808 Ca 0.52 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3d4y s LEU 808 Cb -0.11 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3d4y s LEU 808 CO 0.46 -0.11 0.00 0.59 0.23 0.00 0.00 176.35 177.52 3d4y n ASN 809 N 4.56 -4.01 0.00 2.29 4.13 -1.26 -0.95 115.26 120.03 3d4y n ASN 809 Ca -0.17 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.31 3d4y n ASN 809 Cb 0.46 -3.50 0.00 0.00 -1.54 0.00 0.00 39.78 35.20 3d4y n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d4y n GLY 810 N -0.63 0.76 0.12 7.41 0.00 -1.26 -0.56 105.19 111.03 3d4y n GLY 810 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 3d4y n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3d4y n LEU 811 N 0.00 2.96 -3.75 0.99 7.94 -0.12 -4.92 117.00 120.11 3d4y n LEU 811 Ca 0.00 -0.13 -0.10 0.00 -1.11 0.00 0.00 56.01 54.67 3d4y n LEU 811 Cb 0.01 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.05 3d4y n LEU 811 CO 0.00 0.92 0.08 0.00 -1.11 0.00 0.00 177.39 177.28 3d4y s GLN 812 N -2.50 1.06 -0.13 1.96 -2.07 -1.18 -4.99 119.66 111.82 3d4y s GLN 812 Ca -0.33 -0.85 -0.00 0.00 -1.82 0.00 0.00 55.36 52.35 3d4y s GLN 812 Cb 0.09 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 3d4y s GLN 812 CO 0.58 -0.40 -0.12 -0.06 -1.32 0.00 0.00 175.29 173.96 3d4y s PHE 813 N -3.85 2.82 -0.07 9.60 0.40 -1.25 0.39 117.98 126.02 3d4y s PHE 813 Ca 0.06 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 3d4y s PHE 813 Cb 0.02 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 3d4y s PHE 813 CO -0.09 -0.17 -0.09 -1.50 0.70 0.00 0.00 175.22 174.07 3d4y s ILE 814 N 0.28 3.50 0.08 0.64 2.07 -0.08 -1.80 121.20 125.89 3d4y s ILE 814 Ca -0.09 -0.55 -0.31 0.00 -1.41 0.00 0.00 60.65 58.29 3d4y s ILE 814 Cb -0.15 -2.42 -0.07 0.00 0.13 0.00 0.00 42.46 39.94 3d4y s ILE 814 CO 0.05 0.59 1.39 -0.75 -1.91 0.00 0.00 174.94 174.31 3d4y s LYS 815 N -0.64 4.32 0.15 3.50 2.20 -0.10 -1.98 119.74 127.18 3d4y s LYS 815 Ca 0.10 2.04 0.06 0.00 -0.36 0.00 0.00 55.97 57.80 3d4y s LYS 815 Cb -0.11 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3d4y s LYS 815 CO 0.02 -0.47 0.05 1.03 -0.36 0.00 0.00 175.35 175.62 3d4y s ARG 816 N 1.46 2.63 -0.09 4.03 1.81 0.20 -4.96 118.95 124.02 3d4y s ARG 816 Ca 0.64 -0.95 -0.01 0.00 -1.72 0.00 0.00 55.73 53.70 3d4y s ARG 816 Cb -0.35 -2.51 0.03 0.00 -0.45 0.00 0.00 34.95 31.66 3d4y s ARG 816 CO 0.29 0.49 -0.04 0.50 -0.68 0.00 0.00 175.30 175.86 3d4y s ARG 817 N -2.85 1.13 0.14 3.54 3.52 -1.26 -1.82 118.95 121.36 3d4y s ARG 817 Ca 0.28 -0.10 -0.31 0.00 -0.13 0.00 0.00 55.73 55.47 3d4y s ARG 817 Cb -0.10 -1.31 -0.10 0.00 -1.56 0.00 0.00 34.95 31.89 3d4y s ARG 817 CO 0.20 -0.27 1.57 0.50 -0.81 0.00 0.00 175.30 176.50 3d4y s ARG 818 N 1.77 4.22 -0.16 5.12 3.52 0.13 -5.01 118.95 128.55 3d4y s ARG 818 Ca 0.04 2.33 0.01 0.00 -0.13 0.00 0.00 55.73 57.98 3d4y s ARG 818 Cb -0.13 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3d4y s ARG 818 CO -0.06 -0.62 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.12 3d4y s LEU 819 N 1.45 2.31 0.38 -0.88 1.43 -1.26 -4.88 118.68 117.24 3d4y s LEU 819 Ca 0.70 -0.54 0.28 0.00 -1.03 0.00 0.00 54.13 53.54 3d4y s LEU 819 Cb -0.42 -1.52 1.08 0.00 0.03 0.00 0.00 46.19 45.36 3d4y s LEU 819 CO 0.31 0.07 1.82 0.44 0.23 0.00 0.00 176.35 179.22 3d4y h ASP 820 N 7.45 0.00 0.61 2.29 3.32 -1.98 -1.70 116.42 126.41 3d4y h ASP 820 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3d4y h ASP 820 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3d4y h ASP 820 CO 0.58 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 180.39 3d4y n LYS 821 N -2.62 0.01 -4.23 3.56 2.85 -1.26 -4.72 118.16 111.76 3d4y n LYS 821 Ca 0.02 0.21 -0.31 0.00 -1.05 0.00 0.00 58.31 57.18 3d4y n LYS 821 Cb 0.29 -1.52 -0.09 0.00 -0.65 0.00 0.00 35.03 33.06 3d4y n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3d4y s LEU 822 N -3.10 3.35 0.92 -5.58 1.43 -0.64 -5.00 118.68 110.05 3d4y s LEU 822 Ca 0.08 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3d4y s LEU 822 Cb 0.11 -2.04 0.14 0.00 0.03 0.00 0.00 46.19 44.43 3d4y s LEU 822 CO 0.32 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 176.06 3d4y s PRO 823 N -2.02 1.09 0.25 1.29 0.04 -1.26 -4.86 135.00 129.52 3d4y s PRO 823 Ca 0.23 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 3d4y s PRO 823 Cb -0.11 -1.82 0.51 0.00 0.04 0.00 0.00 34.50 33.12 3d4y s PRO 823 CO 0.14 -2.27 1.73 1.25 0.04 0.00 0.00 177.00 177.89 3d4y h LEU 824 N -1.56 0.31 -1.51 -3.56 6.46 -1.96 -1.18 115.31 112.31 3d4y h LEU 824 Ca -0.51 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 3d4y h LEU 824 Cb 1.32 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 3d4y h LEU 824 CO 0.59 0.10 0.00 0.06 -0.62 0.00 0.00 178.44 178.57 3d4y h GLN 825 N 0.45 0.00 0.00 1.25 -0.00 -1.91 -0.44 115.11 114.46 3d4y h GLN 825 Ca 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 59.06 3d4y h GLN 825 Cb 0.70 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.18 3d4y h GLN 825 CO -0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 178.83 178.26 3d4y h ALA 826 N 2.01 0.93 -0.20 0.06 0.00 -1.56 -3.09 119.26 117.41 3d4y h ALA 826 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3d4y h ALA 826 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d4y h ALA 826 CO 0.00 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.53 3d4y n ASN 827 N -3.17 1.82 -4.76 0.00 3.02 -0.18 -4.57 115.26 107.41 3d4y n ASN 827 Ca 0.02 -1.76 -0.39 0.00 -0.03 0.00 0.00 54.58 52.43 3d4y n ASN 827 Cb 0.53 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 3d4y n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3d4y s TYR 828 N -1.74 3.70 0.18 3.10 1.51 -1.17 -4.61 117.35 118.32 3d4y s TYR 828 Ca 0.32 1.24 0.06 0.00 -1.01 0.00 0.00 57.07 57.68 3d4y s TYR 828 Cb 0.17 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.35 3d4y s TYR 828 CO 0.25 0.36 -0.11 0.71 -1.11 0.00 0.00 175.55 175.66 3d4y s TYR 829 N -0.26 1.50 0.31 2.71 2.02 -0.00 -4.70 117.35 118.92 3d4y s TYR 829 Ca 0.32 -0.68 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 3d4y s TYR 829 Cb -0.19 -0.74 -0.10 0.00 -0.40 0.00 0.00 41.96 40.53 3d4y s TYR 829 CO 0.18 0.21 1.39 -2.14 -1.57 0.00 0.00 175.55 173.62 3d4y s PRO 830 N -3.71 4.28 -0.75 -1.71 0.02 -1.26 -1.14 135.00 130.73 3d4y s PRO 830 Ca 0.20 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.58 3d4y s PRO 830 Cb 0.01 -3.06 0.18 0.00 0.02 0.00 0.00 34.50 31.65 3d4y s PRO 830 CO 0.04 -0.34 0.56 0.42 -0.33 0.00 0.00 177.00 177.35 3d4y s ILE 831 N -0.76 3.24 -0.48 2.83 -1.09 0.12 -4.52 121.20 120.55 3d4y s ILE 831 Ca 0.53 -4.17 0.26 0.00 -2.23 0.00 0.00 60.65 55.04 3d4y s ILE 831 Cb -0.42 -3.09 0.32 0.00 -1.58 0.00 0.00 42.46 37.68 3d4y s ILE 831 CO 0.52 -1.02 1.73 1.55 -1.23 0.00 0.00 174.94 176.49 3d4y h PRO 832 N 5.57 0.00 0.00 2.79 0.13 -1.78 -2.51 132.00 136.19 3d4y h PRO 832 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3d4y h PRO 832 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3d4y h PRO 832 CO 0.75 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 3d4y n SER 833 N -2.71 0.00 0.00 1.44 3.41 -1.26 -4.29 113.62 110.21 3d4y n SER 833 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3d4y n SER 833 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3d4y n SER 833 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d4y n GLY 834 N 0.00 0.49 3.29 5.00 0.00 -1.26 -1.02 105.19 111.69 3d4y n GLY 834 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 3d4y n GLY 834 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3d4y s MET 835 N -2.00 0.97 0.09 1.61 0.23 -0.14 -1.59 119.30 118.47 3d4y s MET 835 Ca 0.00 -0.65 -0.16 0.00 -1.03 0.00 0.00 55.69 53.85 3d4y s MET 835 Cb 0.00 0.42 0.03 0.00 -1.53 0.00 0.00 34.83 33.75 3d4y s MET 835 CO 0.00 -0.35 0.37 -0.59 -2.03 0.00 0.00 175.02 172.42 3d4y s PHE 836 N -3.38 -0.17 0.15 3.16 -0.12 0.10 -1.01 117.98 116.71 3d4y s PHE 836 Ca 0.01 -0.05 0.08 0.00 -0.05 0.00 0.00 56.93 56.92 3d4y s PHE 836 Cb 0.01 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 3d4y s PHE 836 CO -0.09 -0.62 -0.18 0.96 -0.05 0.00 0.00 175.22 175.23 3d4y s ILE 837 N -3.27 1.75 0.14 -4.49 -4.36 -0.76 -1.15 121.20 109.05 3d4y s ILE 837 Ca -0.00 -1.82 -0.18 0.00 -0.26 0.00 0.00 60.65 58.38 3d4y s ILE 837 Cb 0.01 -1.76 0.05 0.00 1.25 0.00 0.00 42.46 42.01 3d4y s ILE 837 CO -0.08 -0.27 0.47 -1.83 0.24 0.00 0.00 174.94 173.46 3d4y s GLU 838 N -2.60 1.14 0.00 0.37 -1.05 -1.26 -1.12 118.70 114.17 3d4y s GLU 838 Ca 0.13 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 3d4y s GLU 838 Cb -0.07 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3d4y s GLU 838 CO 0.06 -0.46 0.00 -0.40 0.95 0.00 0.00 175.26 175.41 3d4y n ASP 839 N -0.27 0.96 0.25 0.83 5.68 -0.45 -4.14 116.55 119.43 3d4y n ASP 839 Ca -0.16 -0.19 0.08 0.00 -0.50 0.00 0.00 54.79 54.02 3d4y n ASP 839 Cb 0.64 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.26 3d4y n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d4y h ALA 840 N 1.00 1.83 0.00 2.12 0.00 -1.97 -3.31 119.26 118.93 3d4y h ALA 840 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3d4y h ALA 840 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3d4y h ALA 840 CO 0.00 0.07 -1.33 0.09 0.00 0.00 0.00 179.25 178.07 3d4y n ASN 841 N -4.36 3.53 -3.96 0.00 3.02 -1.26 -3.56 115.26 108.66 3d4y n ASN 841 Ca -0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.36 3d4y n ASN 841 Cb 0.14 1.07 -0.14 0.00 -0.61 0.00 0.00 39.78 40.23 3d4y n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3d4y s THR 842 N -2.34 0.43 -0.02 3.41 2.01 -1.25 -0.29 115.64 117.59 3d4y s THR 842 Ca -0.03 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.78 3d4y s THR 842 Cb 0.03 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 3d4y s THR 842 CO 0.26 0.11 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.53 3d4y s ARG 843 N -0.15 1.47 -0.18 4.92 3.52 0.50 -1.33 118.95 127.70 3d4y s ARG 843 Ca 0.02 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3d4y s ARG 843 Cb -0.02 -1.41 0.01 0.00 -1.56 0.00 0.00 34.95 31.97 3d4y s ARG 843 CO -0.00 0.38 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.52 3d4y s LEU 844 N -0.39 2.27 -0.13 -0.88 2.96 -0.28 -0.94 118.68 121.30 3d4y s LEU 844 Ca 0.06 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 3d4y s LEU 844 Cb -0.07 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3d4y s LEU 844 CO -0.00 0.00 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.00 3d4y s THR 845 N 1.29 2.97 -0.30 3.68 2.01 0.32 -1.82 115.64 123.78 3d4y s THR 845 Ca 0.04 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 3d4y s THR 845 Cb -0.13 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.17 3d4y s THR 845 CO -0.11 0.52 0.03 -0.22 -0.69 0.00 0.00 174.62 174.16 3d4y s LEU 846 N 0.38 3.92 0.11 4.42 2.96 -0.18 -0.30 118.68 130.00 3d4y s LEU 846 Ca -0.11 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 52.63 3d4y s LEU 846 Cb -0.16 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3d4y s LEU 846 CO 0.06 -0.25 0.36 -0.76 -1.32 0.00 0.00 176.35 174.43 3d4y s LEU 847 N 1.34 4.30 0.01 -0.68 2.01 -0.15 -0.96 118.68 124.54 3d4y s LEU 847 Ca -0.03 0.62 0.05 0.00 0.01 0.00 0.00 54.13 54.78 3d4y s LEU 847 Cb -0.19 -3.14 -0.01 0.00 0.01 0.00 0.00 46.19 42.86 3d4y s LEU 847 CO 0.00 0.11 -0.14 -0.89 1.01 0.00 0.00 176.35 176.44 3d4y s THR 848 N -1.55 1.13 -1.22 5.49 2.01 -0.19 -1.21 115.64 120.12 3d4y s THR 848 Ca 0.37 -0.74 0.11 0.00 0.31 0.00 0.00 61.69 61.74 3d4y s THR 848 Cb -0.13 -0.97 0.46 0.00 0.01 0.00 0.00 72.50 71.87 3d4y s THR 848 CO 0.22 0.22 1.30 0.61 -0.69 0.00 0.00 174.62 176.27 3d4y n GLY 849 N 2.45 1.81 3.59 4.40 0.00 0.10 -4.63 105.19 112.91 3d4y n GLY 849 Ca -0.15 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 3d4y n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d4y s GLN 850 N -1.76 0.79 0.10 1.61 0.00 -1.26 -4.76 119.66 114.38 3d4y s GLN 850 Ca 0.32 0.58 -0.30 0.00 -0.00 0.00 0.00 55.36 55.95 3d4y s GLN 850 Cb 0.21 0.38 -0.06 0.00 0.00 0.00 0.00 33.01 33.54 3d4y s GLN 850 CO 0.15 -0.17 1.16 -1.25 0.00 0.00 0.00 175.29 175.18 3d4y s PRO 851 N -0.31 4.48 0.27 9.60 0.04 -1.26 -4.75 135.00 143.06 3d4y s PRO 851 Ca -0.03 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 3d4y s PRO 851 Cb -0.03 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3d4y s PRO 851 CO 0.02 -0.15 0.27 -0.51 0.04 0.00 0.00 177.00 176.68 3d4y s LEU 852 N 0.58 1.18 0.13 -3.56 1.43 -0.95 -4.77 118.68 112.72 3d4y s LEU 852 Ca 0.55 -1.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 3d4y s LEU 852 Cb -0.29 0.79 -0.06 0.00 0.03 0.00 0.00 46.19 46.66 3d4y s LEU 852 CO 0.31 -1.02 0.41 -0.83 0.23 0.00 0.00 176.35 175.46 3d4y s GLY 853 N -3.21 2.28 0.25 -3.19 0.00 -1.04 0.16 107.32 102.56 3d4y s GLY 853 Ca 0.36 -0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.42 3d4y s GLY 853 CO 0.17 -0.31 0.90 -0.32 0.00 0.00 0.00 173.10 173.54 3d4y s GLY 854 N -2.17 0.08 0.35 0.20 0.00 -0.29 -0.65 107.32 104.84 3d4y s GLY 854 Ca 0.39 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.60 3d4y s GLY 854 CO 0.22 0.68 0.85 -0.45 0.00 0.00 0.00 173.10 174.40 3d4y s SER 855 N -3.13 0.03 -0.30 1.64 0.15 -0.49 -0.82 113.70 110.78 3d4y s SER 855 Ca 0.16 -1.10 0.01 0.00 0.70 0.00 0.00 55.95 55.72 3d4y s SER 855 Cb -0.04 0.79 0.09 0.00 -1.71 0.00 0.00 66.02 65.15 3d4y s SER 855 CO 0.07 -1.58 0.04 -0.55 1.20 0.00 0.00 173.24 172.42 3d4y s SER 856 N -3.17 4.26 0.00 5.45 0.15 -1.26 -0.62 113.70 118.50 3d4y s SER 856 Ca 0.17 -1.71 0.27 0.00 0.70 0.00 0.00 55.95 55.38 3d4y s SER 856 Cb -0.05 -1.23 0.83 0.00 -1.71 0.00 0.00 66.02 63.87 3d4y s SER 856 CO 0.11 -0.36 1.61 0.18 1.20 0.00 0.00 173.24 175.98 3d4y n LEU 857 N 4.58 0.86 -3.53 3.45 4.77 -1.26 -4.82 117.00 121.05 3d4y n LEU 857 Ca -0.02 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.62 3d4y n LEU 857 Cb 0.43 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3d4y n LEU 857 CO 0.17 0.16 0.37 0.00 -1.33 0.00 0.00 177.39 176.76 3d4y s ALA 858 N -2.55 -1.57 0.12 -1.18 0.00 -1.26 -5.09 121.76 110.23 3d4y s ALA 858 Ca 0.24 0.95 -0.35 0.00 0.00 0.00 0.00 51.96 52.80 3d4y s ALA 858 Cb 0.19 0.24 -0.16 0.00 0.00 0.00 0.00 23.12 23.39 3d4y s ALA 858 CO 0.53 -0.46 1.42 0.45 0.00 0.00 0.00 175.76 177.70 3d4y n SER 859 N 0.61 2.16 0.00 0.00 2.88 -1.21 -1.38 113.62 116.68 3d4y n SER 859 Ca -0.19 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3d4y n SER 859 Cb 0.59 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3d4y n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d4y n GLY 860 N 2.81 1.58 3.77 0.46 0.00 -1.02 -4.89 105.19 107.89 3d4y n GLY 860 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3d4y n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d4y s GLU 861 N -0.23 2.83 0.04 1.61 2.02 -0.48 -1.13 118.70 123.36 3d4y s GLU 861 Ca 0.00 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.28 3d4y s GLU 861 Cb 0.00 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 3d4y s GLU 861 CO 0.00 0.54 -0.14 -0.51 0.02 0.00 0.00 175.26 175.18 3d4y s LEU 862 N -2.53 2.16 0.01 1.80 1.43 -0.56 -4.34 118.68 116.65 3d4y s LEU 862 Ca 0.29 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 3d4y s LEU 862 Cb -0.12 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.53 3d4y s LEU 862 CO 0.22 0.03 0.17 -1.83 0.23 0.00 0.00 176.35 175.17 3d4y s GLU 863 N -1.08 0.56 -0.07 1.70 -1.05 0.20 -0.17 118.70 118.79 3d4y s GLU 863 Ca 0.01 -0.43 -0.03 0.00 -0.15 0.00 0.00 54.97 54.38 3d4y s GLU 863 Cb -0.08 0.23 0.04 0.00 -0.44 0.00 0.00 34.13 33.89 3d4y s GLU 863 CO 0.01 -0.14 0.14 -1.50 0.95 0.00 0.00 175.26 174.72 3d4y s ILE 864 N -1.65 -0.14 0.24 1.83 2.07 0.20 -1.39 121.20 122.35 3d4y s ILE 864 Ca -0.12 0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 59.09 3d4y s ILE 864 Cb -0.06 -0.25 -0.09 0.00 0.13 0.00 0.00 42.46 42.19 3d4y s ILE 864 CO 0.01 0.11 1.14 -0.32 -1.91 0.00 0.00 174.94 173.97 3d4y s MET 865 N 1.68 4.57 -0.25 3.50 -2.45 0.17 -1.23 119.30 125.30 3d4y s MET 865 Ca -0.03 1.84 0.03 0.00 -1.25 0.00 0.00 55.69 56.28 3d4y s MET 865 Cb -0.12 -3.21 -0.18 0.00 1.25 0.00 0.00 34.83 32.57 3d4y s MET 865 CO -0.06 0.07 -0.17 1.04 1.05 0.00 0.00 175.02 176.96 3d4y n GLN 866 N 1.76 0.66 -3.62 4.11 1.13 0.94 -4.48 117.38 117.87 3d4y n GLN 866 Ca 0.01 0.14 -0.06 0.00 -1.94 0.00 0.00 57.00 55.15 3d4y n GLN 866 Cb 0.45 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.25 3d4y n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3d4y s ASP 867 N -6.44 -0.29 -0.16 1.08 -1.08 -1.20 -4.83 116.67 103.75 3d4y s ASP 867 Ca -0.32 -0.21 -0.14 0.00 -0.52 0.00 0.00 52.55 51.37 3d4y s ASP 867 Cb 0.09 0.46 0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3d4y s ASP 867 CO 0.63 -0.80 0.42 0.00 0.52 0.00 0.00 175.17 175.94 3d4y s ARG 868 N -3.27 0.47 -0.21 4.34 1.70 -1.26 -1.12 118.95 119.61 3d4y s ARG 868 Ca 0.08 0.60 -0.02 0.00 -0.47 0.00 0.00 55.73 55.93 3d4y s ARG 868 Cb -0.01 0.21 0.06 0.00 -0.57 0.00 0.00 34.95 34.63 3d4y s ARG 868 CO -0.04 -0.07 0.01 0.50 -1.08 0.00 0.00 175.30 174.62 3d4y s ARG 869 N 0.36 0.97 -0.12 3.89 3.52 -0.31 -4.82 118.95 122.44 3d4y s ARG 869 Ca -0.01 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 3d4y s ARG 869 Cb -0.04 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 3d4y s ARG 869 CO -0.01 -0.63 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.13 3d4y s LEU 870 N 1.71 2.04 0.00 -0.88 1.43 0.09 -0.09 118.68 122.98 3d4y s LEU 870 Ca -0.03 -0.56 0.26 0.00 -1.03 0.00 0.00 54.13 52.78 3d4y s LEU 870 Cb -0.18 -1.38 0.74 0.00 0.03 0.00 0.00 46.19 45.40 3d4y s LEU 870 CO -0.07 0.09 1.57 0.00 0.23 0.00 0.00 176.35 178.17 3d4y n ALA 871 N 3.93 2.53 -2.48 4.21 0.00 -1.26 -0.10 120.51 127.34 3d4y n ALA 871 Ca -0.20 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.41 3d4y n ALA 871 Cb 0.52 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 3d4y n ALA 871 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d4y s SER 872 N -1.99 3.86 0.43 0.00 0.01 -1.26 -4.55 113.70 110.20 3d4y s SER 872 Ca 0.34 -0.52 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 3d4y s SER 872 Cb 0.21 -0.56 -0.08 0.00 0.21 0.00 0.00 66.02 65.79 3d4y s SER 872 CO 0.32 0.20 1.09 -0.62 0.41 0.00 0.00 173.24 174.64 3d4y s ASP 873 N -1.94 6.48 -0.25 2.44 2.15 -1.26 -3.97 116.67 120.33 3d4y s ASP 873 Ca 0.17 2.12 0.13 0.00 0.43 0.00 0.00 52.55 55.41 3d4y s ASP 873 Cb -0.11 -2.59 0.69 0.00 -0.30 0.00 0.00 42.92 40.61 3d4y s ASP 873 CO 0.09 -0.69 1.65 -0.90 -0.17 0.00 0.00 175.17 175.15 3d4y n ASP 874 N -0.34 4.65 -2.00 -0.34 5.75 -1.26 -4.76 116.55 118.25 3d4y n ASP 874 Ca 0.06 -3.12 -0.18 0.00 -0.01 0.00 0.00 54.79 51.55 3d4y n ASP 874 Cb 0.49 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 3d4y n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d4y n GLU 875 N -0.11 -1.40 -0.47 0.11 1.02 -1.26 -4.88 120.64 113.65 3d4y n GLU 875 Ca 0.30 0.86 0.07 0.00 -0.02 0.00 0.00 57.16 58.37 3d4y n GLU 875 Cb 1.15 -5.33 0.24 0.00 -0.02 0.00 0.00 31.44 27.48 3d4y n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d4y n ARG 876 N -2.69 2.62 0.00 3.49 5.12 -1.26 -4.98 116.66 118.96 3d4y n ARG 876 Ca -0.21 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 52.84 3d4y n ARG 876 Cb 0.66 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 3d4y n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d4y n GLY 877 N -0.69 0.22 0.26 -0.13 0.00 -1.26 -4.96 105.19 98.63 3d4y n GLY 877 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 3d4y n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d4y h LEU 878 N 0.00 0.87 1.32 0.99 5.85 -1.93 -3.48 115.31 118.93 3d4y h LEU 878 Ca 0.00 -0.38 -0.23 0.00 0.84 0.00 0.00 57.88 58.11 3d4y h LEU 878 Cb 0.00 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3d4y h LEU 878 CO 0.00 1.13 -0.27 0.61 -0.34 0.00 0.00 178.44 179.57 3d4y n GLY 879 N 0.01 0.32 3.48 3.75 0.00 -1.26 -4.89 105.19 106.60 3d4y n GLY 879 Ca -0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 3d4y n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d4y s GLN 880 N -4.09 1.28 0.00 1.61 -2.07 -1.26 -4.97 119.66 110.17 3d4y s GLN 880 Ca 0.00 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 3d4y s GLN 880 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 3d4y s GLN 880 CO 0.00 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.82 3d4y n GLY 881 N -0.37 0.82 2.99 2.60 0.00 -1.25 -4.20 105.19 105.77 3d4y n GLY 881 Ca -0.15 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 3d4y n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d4y s VAL 882 N 1.11 1.99 -0.01 1.61 1.01 0.85 -4.87 120.40 122.10 3d4y s VAL 882 Ca 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 61.98 60.12 3d4y s VAL 882 Cb 0.00 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.14 3d4y s VAL 882 CO 0.00 -0.42 1.05 0.18 0.00 0.00 0.00 175.10 175.91 3d4y n LEU 883 N 4.42 0.40 -0.97 3.92 4.77 -1.26 -0.73 117.00 127.54 3d4y n LEU 883 Ca -0.03 -1.39 -0.01 0.00 -0.03 0.00 0.00 56.01 54.55 3d4y n LEU 883 Cb 0.42 -0.03 0.19 0.00 -2.33 0.00 0.00 43.42 41.67 3d4y n LEU 883 CO 0.20 0.35 0.51 -0.90 -1.33 0.00 0.00 177.39 176.23 3d4y n ASP 884 N 0.02 2.32 -4.77 -1.43 5.75 -1.26 -5.06 116.55 112.13 3d4y n ASP 884 Ca 0.03 -3.85 -0.40 0.00 -0.01 0.00 0.00 54.79 50.56 3d4y n ASP 884 Cb 0.80 -0.57 0.02 0.00 -1.03 0.00 0.00 41.12 40.33 3d4y n ASP 884 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3d4y s ASN 885 N -2.93 5.87 0.05 -1.12 -0.87 -1.26 -5.04 114.94 109.64 3d4y s ASN 885 Ca 0.42 2.89 0.01 0.00 -1.57 0.00 0.00 52.86 54.61 3d4y s ASN 885 Cb 0.39 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.25 38.94 3d4y s ASN 885 CO -0.03 -1.18 -0.06 -1.59 -2.57 0.00 0.00 177.10 171.67 3d4y s LYS 886 N -2.47 0.57 0.28 -0.60 -2.85 -1.26 -4.97 119.74 108.44 3d4y s LYS 886 Ca 0.61 -0.95 -0.30 0.00 -1.00 0.00 0.00 55.97 54.34 3d4y s LYS 886 Cb -0.43 -0.09 -0.13 0.00 -2.06 0.00 0.00 37.83 35.12 3d4y s LYS 886 CO 0.55 -0.02 1.31 -2.30 0.10 0.00 0.00 175.35 174.99 3d4y n PRO 887 N 0.88 1.96 -4.09 1.78 -0.02 -1.26 -4.81 135.00 129.45 3d4y n PRO 887 Ca -0.19 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 61.83 3d4y n PRO 887 Cb 0.57 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 3d4y n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d4y s VAL 888 N -0.55 0.33 -0.55 -1.45 0.11 -0.89 -4.91 120.40 112.50 3d4y s VAL 888 Ca 0.63 -0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.34 3d4y s VAL 888 Cb -0.63 -0.30 0.09 0.00 -1.53 0.00 0.00 36.38 34.01 3d4y s VAL 888 CO 0.55 0.10 0.61 -0.22 -3.33 0.00 0.00 175.10 172.82 3d4y s LEU 889 N 0.04 5.45 0.15 2.54 2.96 -1.26 -0.77 118.68 127.79 3d4y s LEU 889 Ca 0.00 -1.36 -0.26 0.00 -0.22 0.00 0.00 54.13 52.30 3d4y s LEU 889 Cb -0.03 -2.31 -0.08 0.00 0.50 0.00 0.00 46.19 44.27 3d4y s LEU 889 CO -0.00 -0.96 0.79 -1.00 -1.32 0.00 0.00 176.35 173.86 3d4y s HIS 890 N 2.36 3.88 0.05 5.38 3.76 0.39 -4.92 115.29 126.19 3d4y s HIS 890 Ca 0.10 1.64 0.07 0.00 -0.15 0.00 0.00 55.06 56.72 3d4y s HIS 890 Cb -0.24 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 3d4y s HIS 890 CO 0.07 0.46 -0.21 0.96 -0.85 0.00 0.00 174.74 175.17 3d4y s ILE 891 N -0.93 1.69 0.16 0.60 -4.36 -1.26 -1.01 121.20 116.08 3d4y s ILE 891 Ca 0.37 -1.24 -0.08 0.00 -0.26 0.00 0.00 60.65 59.45 3d4y s ILE 891 Cb -0.23 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 3d4y s ILE 891 CO 0.26 0.19 0.25 -0.31 0.24 0.00 0.00 174.94 175.57 3d4y s TYR 892 N -0.83 0.48 0.03 1.37 1.51 0.24 -0.72 117.35 119.42 3d4y s TYR 892 Ca 0.07 -0.84 0.06 0.00 -1.01 0.00 0.00 57.07 55.35 3d4y s TYR 892 Cb -0.09 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 3d4y s TYR 892 CO 0.02 -0.69 -0.18 1.03 -1.11 0.00 0.00 175.55 174.62 3d4y s ARG 893 N -3.98 1.25 -0.19 -0.62 1.81 -0.35 -1.25 118.95 115.61 3d4y s ARG 893 Ca 0.19 -0.80 0.01 0.00 -1.72 0.00 0.00 55.73 53.41 3d4y s ARG 893 Cb 0.04 -1.29 0.03 0.00 -0.45 0.00 0.00 34.95 33.28 3d4y s ARG 893 CO 0.01 0.33 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.61 3d4y s LEU 894 N -0.95 2.35 -0.24 2.53 2.96 -0.57 -0.98 118.68 123.78 3d4y s LEU 894 Ca 0.05 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.21 3d4y s LEU 894 Cb -0.08 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.18 3d4y s LEU 894 CO 0.01 -0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 3d4y s VAL 895 N 1.26 2.04 -0.20 1.68 1.01 0.59 -3.47 120.40 123.31 3d4y s VAL 895 Ca 0.03 -1.42 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 3d4y s VAL 895 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3d4y s VAL 895 CO -0.12 0.08 0.08 -0.22 0.00 0.00 0.00 175.10 174.92 3d4y s LEU 896 N 1.19 3.83 0.01 3.92 2.96 -1.26 -0.52 118.68 128.81 3d4y s LEU 896 Ca -0.06 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3d4y s LEU 896 Cb -0.18 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3d4y s LEU 896 CO -0.07 0.14 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.45 3d4y s GLU 897 N 0.59 0.35 -0.15 1.98 2.02 -0.11 -5.00 118.70 118.37 3d4y s GLU 897 Ca 0.04 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 3d4y s GLU 897 Cb -0.13 -0.22 -0.01 0.00 0.10 0.00 0.00 34.13 33.87 3d4y s GLU 897 CO 0.01 0.05 1.19 0.21 0.02 0.00 0.00 175.26 176.74 3d4y s LYS 898 N -0.66 4.28 -0.01 1.61 2.20 -1.26 -0.37 119.74 125.54 3d4y s LYS 898 Ca -0.04 1.59 0.01 0.00 -0.36 0.00 0.00 55.97 57.17 3d4y s LYS 898 Cb -0.05 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3d4y s LYS 898 CO -0.00 -0.60 0.90 1.33 -0.36 0.00 0.00 175.35 176.62 3d4y n VAL 899 N 5.11 0.81 0.27 4.02 0.24 0.60 -4.72 118.33 124.67 3d4y n VAL 899 Ca 0.12 -0.83 0.13 0.00 -2.04 0.00 0.00 64.34 61.73 3d4y n VAL 899 Cb 0.46 0.57 0.79 0.00 -1.47 0.00 0.00 33.84 34.19 3d4y n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3d4y h ASN 900 N 0.00 0.00 0.54 -1.34 -1.07 -1.60 -2.00 115.58 110.11 3d4y h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3d4y h ASN 900 Cb 0.65 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 3d4y h ASN 900 CO 0.00 0.08 -0.20 0.59 0.07 0.00 0.00 177.43 177.97 3d4y n ASN 901 N -3.73 0.40 -4.81 6.14 3.02 -1.26 -4.95 115.26 110.07 3d4y n ASN 901 Ca -0.02 -0.25 -0.34 0.00 -0.03 0.00 0.00 54.58 53.94 3d4y n ASN 901 Cb 0.18 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 3d4y n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d4y s VAL 903 N -1.98 4.49 0.26 0.00 1.01 -0.04 -5.00 120.40 119.14 3d4y s VAL 903 Ca 0.57 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.50 3d4y s VAL 903 Cb -0.12 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 3d4y s VAL 903 CO 0.17 -1.15 0.09 -0.13 0.00 0.00 0.00 175.10 174.08 3d4y s ARG 904 N 3.65 2.60 0.98 2.72 0.52 -1.26 -4.39 118.95 123.77 3d4y s ARG 904 Ca 0.24 -1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.09 3d4y s ARG 904 Cb -0.16 -2.35 0.18 0.00 0.52 0.00 0.00 34.95 33.14 3d4y s ARG 904 CO 0.14 0.38 1.09 -2.14 0.02 0.00 0.00 175.30 174.79 3d4y s PRO 905 N -3.76 0.51 0.90 3.54 0.02 -1.26 -4.91 135.00 130.05 3d4y s PRO 905 Ca 0.32 1.07 -0.12 0.00 0.02 0.00 0.00 61.00 62.29 3d4y s PRO 905 Cb -0.07 -1.70 0.13 0.00 0.02 0.00 0.00 34.50 32.88 3d4y s PRO 905 CO 0.22 -2.83 1.15 -1.54 -0.33 0.00 0.00 177.00 173.68 3d4y s SER 906 N -2.89 3.65 0.59 2.53 1.04 -1.26 -4.90 113.70 112.45 3d4y s SER 906 Ca 0.66 0.91 0.29 0.00 0.48 0.00 0.00 55.95 58.29 3d4y s SER 906 Cb -0.22 -1.45 1.74 0.00 0.10 0.00 0.00 66.02 66.19 3d4y s SER 906 CO 0.60 -2.46 2.19 0.11 0.98 0.00 0.00 173.24 174.66 3d4y h LYS 907 N -1.43 0.00 -0.01 4.02 1.57 -2.00 -1.24 116.57 117.47 3d4y h LYS 907 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d4y h LYS 907 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3d4y h LYS 907 CO 0.62 0.00 -0.31 1.28 -0.57 0.00 0.00 179.45 180.47 3d4y n LEU 908 N -3.85 1.10 -4.73 2.94 4.77 -1.26 -4.89 117.00 111.07 3d4y n LEU 908 Ca -0.01 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 3d4y n LEU 908 Cb 0.18 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3d4y n LEU 908 CO 0.28 0.21 0.78 -2.28 -1.33 0.00 0.00 177.39 175.04 3d4y s HIS 909 N -2.54 3.62 -2.19 -1.77 2.46 -0.47 -4.94 115.29 109.45 3d4y s HIS 909 Ca 0.23 1.60 0.30 0.00 0.47 0.00 0.00 55.06 57.66 3d4y s HIS 909 Cb 0.19 -3.25 1.53 0.00 -0.13 0.00 0.00 32.58 30.92 3d4y s HIS 909 CO 0.54 -0.52 2.01 -0.35 -2.47 0.00 0.00 174.74 173.96 3d4y n PRO 910 N 2.67 1.26 -4.21 2.88 -0.04 -1.26 -4.90 135.00 131.41 3d4y n PRO 910 Ca 0.03 -0.41 -0.24 0.00 -0.04 0.00 0.00 63.50 62.85 3d4y n PRO 910 Cb 0.47 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3d4y n PRO 910 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4y s ALA 911 N -2.02 3.33 0.28 0.55 0.00 -1.26 -0.92 121.76 121.71 3d4y s ALA 911 Ca 0.43 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.95 3d4y s ALA 911 Cb 0.22 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 3d4y s ALA 911 CO 0.36 0.32 -0.01 0.20 0.00 0.00 0.00 175.76 176.63 3d4y s GLY 912 N -3.53 1.82 0.04 0.00 0.00 -0.75 -4.74 107.32 100.16 3d4y s GLY 912 Ca 0.31 -1.91 0.02 0.00 0.00 0.00 0.00 44.72 43.14 3d4y s GLY 912 CO 0.21 -1.79 -0.08 -0.19 0.00 0.00 0.00 173.10 171.26 3d4y s TYR 913 N -3.19 0.66 0.65 1.90 2.02 -1.26 -3.97 117.35 114.16 3d4y s TYR 913 Ca 0.31 -0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 3d4y s TYR 913 Cb 0.06 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.21 3d4y s TYR 913 CO 0.12 -0.08 1.05 -0.51 -1.57 0.00 0.00 175.55 174.55 3d4y s LEU 914 N -1.51 3.24 0.76 -1.29 1.43 -1.26 -4.64 118.68 115.41 3d4y s LEU 914 Ca -0.09 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 3d4y s LEU 914 Cb -0.10 -4.49 0.05 0.00 0.03 0.00 0.00 46.19 41.68 3d4y s LEU 914 CO 0.00 -1.20 1.13 0.42 0.23 0.00 0.00 176.35 176.93 3d4y s THR 915 N -2.98 2.57 0.17 5.49 -4.23 -1.26 -0.66 115.64 114.73 3d4y s THR 915 Ca 0.58 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 61.07 3d4y s THR 915 Cb -0.13 -3.17 0.07 0.00 1.34 0.00 0.00 72.50 70.61 3d4y s THR 915 CO 0.51 -0.22 1.71 -1.28 -0.54 0.00 0.00 174.62 174.80 3d4y h SER 916 N -0.85 -0.07 -0.86 3.99 0.87 -1.94 -0.26 113.55 114.44 3d4y h SER 916 Ca -0.45 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.27 3d4y h SER 916 Cb 1.30 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 63.32 3d4y h SER 916 CO 0.65 0.00 0.52 0.00 -0.53 0.00 0.00 176.83 177.46 3d4y h ALA 917 N 1.34 1.21 -0.04 6.23 0.00 -1.99 0.55 119.26 126.56 3d4y h ALA 917 Ca 0.20 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3d4y h ALA 917 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3d4y h ALA 917 CO -0.30 0.20 -0.84 0.00 0.00 0.00 0.00 179.25 178.32 3d4y h ALA 918 N 1.44 0.48 -0.18 0.00 0.00 -1.73 -1.81 119.26 117.46 3d4y h ALA 918 Ca 0.39 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3d4y h ALA 918 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3d4y h ALA 918 CO -0.21 0.80 0.06 1.25 0.00 0.00 0.00 179.25 181.15 3d4y h HIS 919 N 0.24 0.29 -0.76 0.00 2.76 -0.45 -0.29 115.15 116.94 3d4y h HIS 919 Ca -0.05 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.12 3d4y h HIS 919 Cb 1.45 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 3d4y h HIS 919 CO 0.05 0.38 0.50 0.87 -1.30 0.00 0.00 177.93 178.43 3d4y h LYS 920 N 0.13 0.91 -0.51 5.26 1.57 -0.91 -0.12 116.57 122.90 3d4y h LYS 920 Ca 0.06 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3d4y h LYS 920 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3d4y h LYS 920 CO -0.00 0.60 0.06 0.00 -0.57 0.00 0.00 179.45 179.54 3d4y h ALA 921 N 1.55 0.68 -0.49 3.86 0.00 -1.03 -0.30 119.26 123.54 3d4y h ALA 921 Ca 0.30 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d4y h ALA 921 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3d4y h ALA 921 CO -0.09 0.43 0.30 1.03 0.00 0.00 0.00 179.25 180.93 3d4y h SER 922 N 0.73 0.51 0.02 0.00 0.87 -0.39 -2.32 113.55 112.97 3d4y h SER 922 Ca 0.15 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3d4y h SER 922 Cb 0.43 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3d4y h SER 922 CO 0.01 0.36 -0.08 1.56 -0.53 0.00 0.00 176.83 178.16 3d4y h GLN 923 N 0.61 0.16 0.00 2.24 4.20 -0.63 -1.06 115.11 120.63 3d4y h GLN 923 Ca 0.19 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 3d4y h GLN 923 Cb -0.02 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3d4y h GLN 923 CO -0.07 0.25 -0.26 0.66 -0.67 0.00 0.00 178.83 178.74 3d4y h SER 924 N 0.16 0.00 0.06 1.46 4.64 -0.51 0.86 113.55 120.22 3d4y h SER 924 Ca 0.04 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.15 3d4y h SER 924 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3d4y h SER 924 CO 0.01 0.26 -1.09 -0.07 -0.87 0.00 0.00 176.83 175.08 3d4y h LEU 925 N 0.00 0.21 0.12 5.97 3.38 -0.98 -3.34 115.31 120.68 3d4y h LEU 925 Ca -0.00 -0.79 -0.28 0.00 0.09 0.00 0.00 57.88 56.89 3d4y h LEU 925 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3d4y h LEU 925 CO 0.03 1.46 -1.34 -0.07 0.09 0.00 0.00 178.44 178.62 3d4y h LEU 926 N -0.62 0.41 -5.98 1.67 3.38 -1.18 -3.40 115.31 109.59 3d4y h LEU 926 Ca -0.25 -0.48 -0.55 0.00 0.09 0.00 0.00 57.88 56.69 3d4y h LEU 926 Cb 1.49 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 41.71 3d4y h LEU 926 CO -0.02 1.38 -1.04 0.47 0.09 0.00 0.00 178.44 179.32 3d4y n ASP 927 N -3.50 1.06 -4.70 -0.43 8.00 0.29 -4.60 116.55 112.66 3d4y n ASP 927 Ca -0.11 -2.93 -0.29 0.00 0.71 0.00 0.00 54.79 52.17 3d4y n ASP 927 Cb 1.03 -0.63 0.16 0.00 -0.02 0.00 0.00 41.12 41.65 3d4y n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3d4y s PRO 928 N -1.80 0.79 0.52 -0.24 0.04 -1.24 -4.69 135.00 128.38 3d4y s PRO 928 Ca 0.38 0.58 -0.23 0.00 0.04 0.00 0.00 61.00 61.77 3d4y s PRO 928 Cb 0.22 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.93 3d4y s PRO 928 CO -0.09 -2.50 1.39 -0.51 0.04 0.00 0.00 177.00 175.33 3d4y s LEU 929 N -6.32 3.92 0.11 -3.56 1.43 -1.26 -4.76 118.68 108.24 3d4y s LEU 929 Ca 0.64 2.83 -0.14 0.00 -1.03 0.00 0.00 54.13 56.44 3d4y s LEU 929 Cb -0.18 -4.17 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 3d4y s LEU 929 CO 0.57 -1.48 0.50 -1.81 0.23 0.00 0.00 176.35 174.36 3d4y s ASP 930 N -0.80 6.80 -0.09 2.29 1.01 -0.25 -4.89 116.67 120.74 3d4y s ASP 930 Ca 0.69 1.01 0.04 0.00 0.71 0.00 0.00 52.55 54.99 3d4y s ASP 930 Cb -0.42 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 3d4y s ASP 930 CO 0.51 0.16 -0.21 -0.54 0.21 0.00 0.00 175.17 175.30 3d4y s LYS 931 N -1.76 2.98 0.01 8.23 1.02 -1.26 -0.76 119.74 128.20 3d4y s LYS 931 Ca 0.34 -0.83 0.07 0.00 0.02 0.00 0.00 55.97 55.57 3d4y s LYS 931 Cb -0.15 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3d4y s LYS 931 CO 0.18 0.26 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.60 3d4y s PHE 932 N 0.17 1.89 -0.17 3.18 0.40 0.91 -0.78 117.98 123.57 3d4y s PHE 932 Ca -0.12 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3d4y s PHE 932 Cb -0.16 -1.18 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 3d4y s PHE 932 CO 0.07 0.02 -0.13 0.42 0.70 0.00 0.00 175.22 176.30 3d4y s ILE 933 N -0.62 2.80 0.24 0.64 1.01 -0.25 -0.36 121.20 124.66 3d4y s ILE 933 Ca 0.08 -0.72 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 3d4y s ILE 933 Cb -0.08 -2.20 -0.11 0.00 0.01 0.00 0.00 42.46 40.08 3d4y s ILE 933 CO 0.00 0.50 1.56 0.12 0.00 0.00 0.00 174.94 177.13 3d4y s PHE 934 N 0.95 2.91 -0.19 3.97 5.36 -0.75 -1.91 117.98 128.32 3d4y s PHE 934 Ca -0.02 0.76 0.20 0.00 -0.96 0.00 0.00 56.93 56.91 3d4y s PHE 934 Cb -0.15 -3.98 -0.05 0.00 -0.34 0.00 0.00 43.02 38.50 3d4y s PHE 934 CO -0.02 -3.40 0.97 0.00 -1.46 0.00 0.00 175.22 171.31 3d4y h ALA 935 N 5.55 0.56 -5.45 11.12 0.00 -0.91 -3.46 119.26 126.66 3d4y h ALA 935 Ca -0.45 -0.32 -0.34 0.00 0.00 0.00 0.00 54.91 53.80 3d4y h ALA 935 Cb 1.21 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3d4y h ALA 935 CO 0.84 0.35 -0.11 0.39 0.00 0.00 0.00 179.25 180.71 3d4y n GLU 936 N -2.76 0.85 0.07 0.00 -0.58 -1.26 -5.04 120.64 111.91 3d4y n GLU 936 Ca -0.04 -2.12 -0.13 0.00 -0.42 0.00 0.00 57.16 54.45 3d4y n GLU 936 Cb 0.66 0.03 -0.05 0.00 -0.57 0.00 0.00 31.44 31.51 3d4y n GLU 936 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3d4y h ASN 937 N 0.24 0.50 -3.60 1.62 2.35 -1.98 -3.45 115.58 111.25 3d4y h ASN 937 Ca -0.20 -0.41 -0.35 0.00 -0.55 0.00 0.00 56.30 54.79 3d4y h ASN 937 Cb 0.82 -0.15 -0.32 0.00 0.05 0.00 0.00 38.32 38.71 3d4y h ASN 937 CO 0.30 1.21 -0.76 -0.70 -1.65 0.00 0.00 177.43 175.84 3d4y s GLU 938 N -3.21 0.49 -0.55 0.81 2.12 -1.26 -4.97 118.70 112.12 3d4y s GLU 938 Ca -0.05 -0.05 -0.09 0.00 0.36 0.00 0.00 54.97 55.14 3d4y s GLU 938 Cb 0.09 -0.55 0.14 0.00 0.26 0.00 0.00 34.13 34.07 3d4y s GLU 938 CO 0.86 -0.05 0.42 -0.46 -0.54 0.00 0.00 175.26 175.50 3d4y s TRP 939 N 0.65 3.47 0.15 5.30 -0.00 -1.26 -5.06 118.94 122.19 3d4y s TRP 939 Ca -0.07 -2.06 -0.30 0.00 -0.00 0.00 0.00 56.10 53.66 3d4y s TRP 939 Cb -0.11 -3.49 -0.07 0.00 -0.00 0.00 0.00 33.47 29.81 3d4y s TRP 939 CO -0.01 -0.97 1.13 0.42 -0.00 0.00 0.00 176.95 177.53 3d4y s ILE 940 N 0.92 3.91 0.00 5.86 1.01 -1.26 -3.31 121.20 128.33 3d4y s ILE 940 Ca 0.10 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.31 3d4y s ILE 940 Cb -0.23 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3d4y s ILE 940 CO -0.02 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3d4y n GLY 941 N 2.35 0.58 3.77 6.18 0.00 -1.26 -4.82 105.19 112.00 3d4y n GLY 941 Ca 0.04 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3d4y n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d4y s ALA 942 N -2.00 3.58 0.24 4.61 0.00 -1.21 -1.00 121.76 125.98 3d4y s ALA 942 Ca 0.00 1.46 0.09 0.00 0.00 0.00 0.00 51.96 53.51 3d4y s ALA 942 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3d4y s ALA 942 CO 0.00 -0.90 -0.01 -0.65 0.00 0.00 0.00 175.76 174.19 3d4y s GLN 943 N -1.64 2.29 0.17 0.00 -0.21 0.40 -4.87 119.66 115.80 3d4y s GLN 943 Ca 0.54 -1.33 0.23 0.00 0.02 0.00 0.00 55.36 54.81 3d4y s GLN 943 Cb -0.44 -2.20 0.01 0.00 1.00 0.00 0.00 33.01 31.37 3d4y s GLN 943 CO 0.56 0.39 1.02 0.41 -2.12 0.00 0.00 175.29 175.56 3d4y n GLY 944 N -0.61 -1.41 3.53 3.09 0.00 -1.26 -4.67 105.19 103.87 3d4y n GLY 944 Ca -0.08 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 3d4y n GLY 944 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d4y s GLN 945 N -3.35 0.82 -0.02 1.61 0.74 -1.26 -1.59 119.66 116.60 3d4y s GLN 945 Ca -0.00 0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.43 3d4y s GLN 945 Cb 0.11 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.61 3d4y s GLN 945 CO 0.79 -0.29 -0.03 0.12 -0.55 0.00 0.00 175.29 175.33 3d4y s PHE 946 N -1.86 0.47 0.00 1.67 5.36 -0.42 -4.90 117.98 118.31 3d4y s PHE 946 Ca -0.02 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3d4y s PHE 946 Cb -0.01 -0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.25 3d4y s PHE 946 CO -0.00 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 3d4y n GLY 947 N 3.66 0.78 0.37 13.12 0.00 -1.26 -0.98 105.19 120.89 3d4y n GLY 947 Ca -0.21 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 45.98 3d4y n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d4y h GLY 948 N 0.00 0.00 -1.15 -0.02 0.00 -1.90 -0.30 103.07 99.69 3d4y h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d4y h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3d4y n ASP 949 N -4.08 2.15 -4.75 0.19 5.75 -1.26 -4.93 116.55 109.63 3d4y n ASP 949 Ca 0.07 -1.74 -0.41 0.00 -0.01 0.00 0.00 54.79 52.70 3d4y n ASP 949 Cb 0.56 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 3d4y n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3d4y s HIS 950 N -1.85 3.30 0.50 2.11 3.76 -0.12 -4.98 115.29 118.00 3d4y s HIS 950 Ca 0.34 1.38 -0.23 0.00 -0.15 0.00 0.00 55.06 56.40 3d4y s HIS 950 Cb 0.20 -3.53 -0.06 0.00 1.11 0.00 0.00 32.58 30.29 3d4y s HIS 950 CO 0.30 -1.53 1.36 -2.14 -0.85 0.00 0.00 174.74 171.89 3d4y s PRO 951 N -0.74 3.42 -0.49 8.40 0.02 -1.26 -4.71 135.00 139.63 3d4y s PRO 951 Ca 0.52 2.25 -0.14 0.00 0.02 0.00 0.00 61.00 63.65 3d4y s PRO 951 Cb -0.36 -2.43 0.10 0.00 0.02 0.00 0.00 34.50 31.83 3d4y s PRO 951 CO 0.42 -0.97 0.41 0.45 -0.33 0.00 0.00 177.00 176.98 3d4y s SER 952 N -0.82 6.06 0.75 2.53 0.15 -1.26 -4.64 113.70 116.46 3d4y s SER 952 Ca 0.66 -1.57 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 3d4y s SER 952 Cb -0.40 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3d4y s SER 952 CO 0.50 -0.72 1.09 0.00 1.20 0.00 0.00 173.24 175.31 3d4y s ALA 953 N 1.57 2.59 0.52 5.45 0.00 0.67 -3.32 121.76 129.24 3d4y s ALA 953 Ca 0.04 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 3d4y s ALA 953 Cb -0.26 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 3d4y s ALA 953 CO 0.04 -1.41 1.26 -2.13 0.00 0.00 0.00 175.76 173.52 3d4y n ARG 954 N -3.21 1.59 0.29 0.00 0.63 -1.26 -4.71 116.66 109.99 3d4y n ARG 954 Ca 0.07 0.58 0.16 0.00 -0.92 0.00 0.00 57.85 57.74 3d4y n ARG 954 Cb 0.56 -2.44 0.89 0.00 0.45 0.00 0.00 32.46 31.93 3d4y n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3d4y h GLU 955 N 1.42 0.00 -0.00 -0.14 4.11 -1.97 -0.67 114.58 117.33 3d4y h GLU 955 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3d4y h GLU 955 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3d4y h GLU 955 CO 0.57 0.04 -0.09 -0.40 0.07 0.00 0.00 179.01 179.19 3d4y n ASP 956 N -3.63 0.43 -4.80 3.06 5.75 -1.26 -4.84 116.55 111.26 3d4y n ASP 956 Ca -0.02 -0.56 -0.36 0.00 -0.01 0.00 0.00 54.79 53.83 3d4y n ASP 956 Cb 0.14 -0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 3d4y n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3d4y s LEU 957 N -2.46 4.31 0.04 -2.12 2.96 -0.26 -0.85 118.68 120.30 3d4y s LEU 957 Ca 0.29 0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 3d4y s LEU 957 Cb 0.20 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3d4y s LEU 957 CO 0.47 0.26 -0.16 -0.62 -1.32 0.00 0.00 176.35 174.98 3d4y s ASP 958 N -0.27 1.93 -0.81 3.68 2.15 0.59 -4.75 116.67 119.18 3d4y s ASP 958 Ca 0.13 -0.48 -0.19 0.00 0.43 0.00 0.00 52.55 52.44 3d4y s ASP 958 Cb -0.12 -0.14 0.12 0.00 -0.30 0.00 0.00 42.92 42.48 3d4y s ASP 958 CO 0.03 0.07 0.99 -0.69 -0.17 0.00 0.00 175.17 175.40 3d4y s VAL 959 N -0.84 4.75 0.29 1.11 1.01 -1.26 -1.24 120.40 124.21 3d4y s VAL 959 Ca 0.03 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.76 3d4y s VAL 959 Cb -0.08 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.62 3d4y s VAL 959 CO 0.01 -1.39 1.66 0.28 0.00 0.00 0.00 175.10 175.66 3d4y h SER 960 N 8.93 0.13 -3.62 3.32 0.02 -0.87 -3.43 113.55 118.03 3d4y h SER 960 Ca -0.00 -0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 60.62 3d4y h SER 960 Cb 1.04 -0.04 -0.31 0.00 0.14 0.00 0.00 62.40 63.24 3d4y h SER 960 CO 1.09 0.63 -0.71 -0.69 -1.14 0.00 0.00 176.83 176.00 3d4y s VAL 961 N -3.87 -0.03 -0.11 2.27 1.01 -1.13 -4.95 120.40 113.60 3d4y s VAL 961 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3d4y s VAL 961 Cb 0.13 -0.06 0.03 0.00 0.00 0.00 0.00 36.38 36.48 3d4y s VAL 961 CO 0.77 0.05 -0.01 -0.32 0.00 0.00 0.00 175.10 175.59 3d4y s MET 962 N 0.58 0.82 -0.10 2.72 0.00 -1.26 -0.88 119.30 121.18 3d4y s MET 962 Ca -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 55.69 55.50 3d4y s MET 962 Cb -0.07 -1.37 0.05 0.00 0.00 0.00 0.00 34.83 33.44 3d4y s MET 962 CO -0.02 -0.38 0.21 0.50 0.00 0.00 0.00 175.02 175.33 3d4y s ARG 963 N 1.89 0.12 0.14 4.11 3.52 -0.27 -3.26 118.95 125.19 3d4y s ARG 963 Ca 0.04 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.89 3d4y s ARG 963 Cb -0.13 -0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 33.03 3d4y s ARG 963 CO -0.06 -0.23 1.25 0.50 -0.81 0.00 0.00 175.30 175.94 3d4y s ARG 964 N 1.81 4.43 -0.00 5.12 3.52 -1.26 -0.32 118.95 132.25 3d4y s ARG 964 Ca -0.03 1.90 0.16 0.00 -0.13 0.00 0.00 55.73 57.63 3d4y s ARG 964 Cb -0.11 -3.27 -0.19 0.00 -1.56 0.00 0.00 34.95 29.82 3d4y s ARG 964 CO -0.07 -0.22 0.61 1.28 -0.81 0.00 0.00 175.30 176.09 3d4y n LEU 965 N 3.18 0.59 -4.50 -0.88 4.77 0.83 -4.92 117.00 116.06 3d4y n LEU 965 Ca 0.07 -0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 3d4y n LEU 965 Cb 0.44 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3d4y n LEU 965 CO 0.56 0.15 -0.46 0.42 -1.33 0.00 0.00 177.39 176.73 3d4y s THR 966 N -2.64 3.03 0.81 -5.08 -4.23 -1.23 -4.94 115.64 101.37 3d4y s THR 966 Ca 0.03 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.24 3d4y s THR 966 Cb 0.12 -2.33 0.08 0.00 1.34 0.00 0.00 72.50 71.71 3d4y s THR 966 CO 0.66 0.27 1.13 -0.54 -0.54 0.00 0.00 174.62 175.60 3d4y s LYS 967 N -1.68 1.95 0.56 3.99 1.02 -1.26 -4.87 119.74 119.45 3d4y s LYS 967 Ca 0.17 0.35 0.34 0.00 0.02 0.00 0.00 55.97 56.85 3d4y s LYS 967 Cb -0.11 -1.93 1.55 0.00 -0.52 0.00 0.00 37.83 36.83 3d4y s LYS 967 CO 0.08 -1.65 2.06 0.66 -0.92 0.00 0.00 175.35 175.57 3d4y h SER 968 N -1.10 0.00 1.01 2.83 4.64 -1.97 -2.27 113.55 116.68 3d4y h SER 968 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3d4y h SER 968 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3d4y h SER 968 CO 0.63 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09 3d4y n SER 969 N -3.18 0.58 -4.70 4.97 3.41 -1.26 -4.83 113.62 108.61 3d4y n SER 969 Ca -0.00 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 3d4y n SER 969 Cb 0.26 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 3d4y n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d4y s ALA 970 N -3.17 3.60 0.25 7.33 0.00 -0.86 -4.91 121.76 124.00 3d4y s ALA 970 Ca 0.08 1.04 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 3d4y s ALA 970 Cb 0.11 -3.58 0.28 0.00 0.00 0.00 0.00 23.12 19.93 3d4y s ALA 970 CO 0.47 -0.78 1.91 -0.22 0.00 0.00 0.00 175.76 177.15 3d4y h LYS 971 N 7.35 1.24 -4.59 0.00 3.64 -1.91 -3.36 116.57 118.95 3d4y h LYS 971 Ca -0.41 -0.07 -0.71 0.00 -1.27 0.00 0.00 60.65 58.19 3d4y h LYS 971 Cb 1.20 -0.28 -0.27 0.00 -0.41 0.00 0.00 32.23 32.47 3d4y h LYS 971 CO 0.89 0.82 -0.54 0.99 -2.27 0.00 0.00 179.45 179.34 3d4y s THR 972 N -6.11 4.17 0.39 1.00 2.01 -1.26 -1.89 115.64 113.95 3d4y s THR 972 Ca -0.13 -1.10 -0.23 0.00 0.31 0.00 0.00 61.69 60.54 3d4y s THR 972 Cb 0.18 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.19 3d4y s THR 972 CO 0.81 -0.28 0.98 -1.10 -0.69 0.00 0.00 174.62 174.35 3d4y s GLN 973 N 1.46 4.30 -0.02 4.92 -1.52 -0.46 -4.84 119.66 123.50 3d4y s GLN 973 Ca 0.01 1.31 0.03 0.00 -1.95 0.00 0.00 55.36 54.75 3d4y s GLN 973 Cb -0.20 -2.47 -0.00 0.00 -0.22 0.00 0.00 33.01 30.12 3d4y s GLN 973 CO 0.04 0.02 -0.09 1.03 -0.25 0.00 0.00 175.29 176.04 3d4y s ARG 974 N -2.63 0.87 -0.09 2.91 0.52 -1.26 -0.24 118.95 119.03 3d4y s ARG 974 Ca 0.57 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 3d4y s ARG 974 Cb -0.16 -0.83 0.01 0.00 0.52 0.00 0.00 34.95 34.49 3d4y s ARG 974 CO 0.21 0.14 -0.17 0.08 0.02 0.00 0.00 175.30 175.58 3d4y s VAL 975 N 0.06 1.54 -0.02 3.52 1.01 -0.19 -0.12 120.40 126.19 3d4y s VAL 975 Ca -0.01 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3d4y s VAL 975 Cb -0.07 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3d4y s VAL 975 CO 0.00 0.45 0.33 -0.83 0.00 0.00 0.00 175.10 175.05 3d4y s GLY 976 N 0.64 2.37 -0.02 4.51 0.00 0.57 -1.16 107.32 114.22 3d4y s GLY 976 Ca -0.14 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.25 3d4y s GLY 976 CO 0.04 -0.06 -0.15 -0.19 0.00 0.00 0.00 173.10 172.75 3d4y s TYR 977 N -1.11 1.38 -0.21 1.90 2.02 0.80 -1.12 117.35 121.01 3d4y s TYR 977 Ca 0.23 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.58 3d4y s TYR 977 Cb -0.15 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 3d4y s TYR 977 CO 0.12 -0.07 -0.04 0.08 -1.57 0.00 0.00 175.55 174.06 3d4y s VAL 978 N -0.18 3.47 -0.13 0.71 1.01 -0.06 -0.99 120.40 124.22 3d4y s VAL 978 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3d4y s VAL 978 Cb -0.08 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3d4y s VAL 978 CO 0.00 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 3d4y s LEU 979 N 1.24 3.33 -0.07 3.92 1.43 0.63 -0.10 118.68 129.06 3d4y s LEU 979 Ca 0.03 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3d4y s LEU 979 Cb -0.14 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3d4y s LEU 979 CO -0.01 0.23 -0.14 -2.28 0.23 0.00 0.00 176.35 174.38 3d4y s HIS 980 N 0.01 1.60 -0.21 0.29 5.65 -0.37 -1.11 115.29 121.14 3d4y s HIS 980 Ca 0.01 -0.61 -0.05 0.00 0.25 0.00 0.00 55.06 54.66 3d4y s HIS 980 Cb -0.13 -1.16 -0.02 0.00 -1.18 0.00 0.00 32.58 30.09 3d4y s HIS 980 CO 0.02 -0.30 0.00 0.50 -0.65 0.00 0.00 174.74 174.31 3d4y s ARG 981 N 0.66 3.56 0.87 2.88 3.52 -0.70 -0.30 118.95 129.43 3d4y s ARG 981 Ca -0.14 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.80 3d4y s ARG 981 Cb -0.16 -3.10 0.19 0.00 -1.56 0.00 0.00 34.95 30.32 3d4y s ARG 981 CO 0.04 -0.07 1.18 -2.37 -0.81 0.00 0.00 175.30 173.27 3d4y n THR 982 N 4.49 0.00 -4.31 4.11 5.66 -0.03 -0.07 114.28 124.14 3d4y n THR 982 Ca -0.17 -1.13 -0.33 0.00 -3.05 0.00 0.00 64.05 59.37 3d4y n THR 982 Cb 0.51 -1.33 -0.16 0.00 -1.55 0.00 0.00 70.33 67.80 3d4y n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3d4y s ASN 983 N -5.45 3.15 0.02 1.09 2.47 -1.26 -4.00 114.94 110.96 3d4y s ASN 983 Ca 0.70 -0.63 0.02 0.00 0.42 0.00 0.00 52.86 53.37 3d4y s ASN 983 Cb -0.02 -1.47 -0.04 0.00 -1.45 0.00 0.00 41.25 38.26 3d4y s ASN 983 CO 0.48 0.03 0.02 -0.76 -3.72 0.00 0.00 177.10 173.15 3d4y s LEU 984 N 1.12 3.61 0.37 3.21 1.43 -1.26 -4.27 118.68 122.89 3d4y s LEU 984 Ca 0.01 -0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 52.84 3d4y s LEU 984 Cb -0.14 -2.13 -0.11 0.00 0.03 0.00 0.00 46.19 43.83 3d4y s LEU 984 CO -0.09 0.25 1.16 0.23 0.23 0.00 0.00 176.35 178.14 3d4y n MET 985 N 1.15 1.73 -3.25 1.70 2.81 0.16 -4.98 117.12 116.45 3d4y n MET 985 Ca -0.13 0.61 -0.39 0.00 -1.81 0.00 0.00 57.70 55.98 3d4y n MET 985 Cb 0.52 -2.18 -0.07 0.00 -0.71 0.00 0.00 33.22 30.79 3d4y n MET 985 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3d4y s GLN 986 N -1.94 4.17 -0.05 0.03 -1.52 -1.26 -4.62 119.66 114.46 3d4y s GLN 986 Ca 0.59 0.39 0.08 0.00 -1.95 0.00 0.00 55.36 54.48 3d4y s GLN 986 Cb -0.57 -3.57 0.14 0.00 -0.22 0.00 0.00 33.01 28.78 3d4y s GLN 986 CO 0.59 -0.17 1.07 0.00 -0.25 0.00 0.00 175.29 176.53 3d4y n GLY 988 N -0.51 0.74 3.65 0.00 0.00 -1.26 -4.76 105.19 103.05 3d4y n GLY 988 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3d4y n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4y s THR 989 N -2.57 4.63 0.20 2.61 2.01 -1.26 -5.00 115.64 116.27 3d4y s THR 989 Ca 0.00 1.84 -0.32 0.00 0.31 0.00 0.00 61.69 63.52 3d4y s THR 989 Cb 0.00 -4.33 -0.14 0.00 0.01 0.00 0.00 72.50 68.04 3d4y s THR 989 CO 0.00 -0.29 1.48 -2.65 -0.69 0.00 0.00 174.62 172.47 3d4y n PRO 990 N 6.50 2.07 -2.27 4.92 -0.02 -1.26 -4.92 135.00 140.03 3d4y n PRO 990 Ca 0.11 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3d4y n PRO 990 Cb 0.47 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3d4y n PRO 990 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3d4y s GLU 991 N 0.16 4.38 0.25 -0.52 2.12 -1.26 -5.01 118.70 118.81 3d4y s GLU 991 Ca 0.73 1.97 -0.30 0.00 0.36 0.00 0.00 54.97 57.73 3d4y s GLU 991 Cb -0.67 -3.26 -0.09 0.00 0.26 0.00 0.00 34.13 30.37 3d4y s GLU 991 CO 0.45 -0.31 1.04 -1.83 -0.54 0.00 0.00 175.26 174.07 3d4y s GLU 992 N 0.69 4.71 0.00 4.30 -1.05 -1.26 -5.02 118.70 121.08 3d4y s GLU 992 Ca 0.60 1.67 0.00 0.00 -0.15 0.00 0.00 54.97 57.09 3d4y s GLU 992 Cb -0.34 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.11 3d4y s GLU 992 CO 0.32 0.30 0.00 -2.39 0.95 0.00 0.00 175.26 174.44 3d4y n HIS 993 N 1.52 0.00 -3.98 4.83 1.44 -1.26 -5.00 115.22 112.76 3d4y n HIS 993 Ca -0.01 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.62 3d4y n HIS 993 Cb 0.46 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.47 3d4y n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3d4y s THR 994 N 0.00 0.16 0.19 0.61 -4.23 -1.26 -5.06 115.64 106.05 3d4y s THR 994 Ca 0.00 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 3d4y s THR 994 Cb 0.00 -1.13 -0.08 0.00 1.34 0.00 0.00 72.50 72.63 3d4y s THR 994 CO 0.00 -0.75 0.98 -1.10 -0.54 0.00 0.00 174.62 173.22 3d4y s GLN 995 N -3.18 4.75 0.26 3.99 -0.21 -1.21 -4.96 119.66 119.10 3d4y s GLN 995 Ca -0.00 1.53 -0.30 0.00 0.02 0.00 0.00 55.36 56.61 3d4y s GLN 995 Cb 0.02 -3.31 -0.11 0.00 1.00 0.00 0.00 33.01 30.62 3d4y s GLN 995 CO -0.07 0.32 1.53 0.21 -2.12 0.00 0.00 175.29 175.16 3d4y s LYS 996 N -0.66 4.19 -0.26 2.91 2.20 -1.26 -4.30 119.74 122.57 3d4y s LYS 996 Ca 0.45 2.44 -0.14 0.00 -0.36 0.00 0.00 55.97 58.35 3d4y s LYS 996 Cb -0.26 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3d4y s LYS 996 CO 0.32 -0.54 0.33 -1.17 -0.36 0.00 0.00 175.35 173.93 3d4y s LEU 997 N -0.25 4.05 -0.35 5.43 2.96 -1.26 -4.89 118.68 124.37 3d4y s LEU 997 Ca 0.62 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3d4y s LEU 997 Cb -0.45 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 43.98 3d4y s LEU 997 CO 0.44 -0.14 0.08 -0.62 -1.32 0.00 0.00 176.35 174.80 3d4y s ASP 998 N 1.57 4.91 0.45 3.68 2.15 -1.26 -4.55 116.67 123.62 3d4y s ASP 998 Ca 0.14 -2.00 0.20 0.00 0.43 0.00 0.00 52.55 51.32 3d4y s ASP 998 Cb -0.16 -1.69 1.09 0.00 -0.30 0.00 0.00 42.92 41.86 3d4y s ASP 998 CO 0.10 -0.41 1.96 -0.37 -0.17 0.00 0.00 175.17 176.27 3d4y h VAL 999 N 6.53 0.88 0.00 1.11 -1.51 -1.96 -2.45 116.25 118.86 3d4y h VAL 999 Ca -0.09 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 3d4y h VAL 999 Cb 1.03 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3d4y h VAL 999 CO 0.57 0.22 0.00 0.00 -1.23 0.00 0.00 177.57 177.13 3d4y n HIS 1001N -2.68 1.04 0.18 0.00 8.25 -0.92 -4.49 115.22 116.59 3d4y n HIS 1001Ca 0.00 -0.62 0.05 0.00 -0.26 0.00 0.00 57.72 56.89 3d4y n HIS 1001Cb 0.21 -0.17 0.30 0.00 1.12 0.00 0.00 29.99 31.44 3d4y n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3d4y h LEU 1002N 3.06 0.00 -9.19 2.41 3.38 -1.50 -3.44 115.31 110.04 3d4y h LEU 1002Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3d4y h LEU 1002Cb 1.20 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.78 3d4y h LEU 1002CO 0.14 0.40 -0.76 -0.76 0.09 0.00 0.00 178.44 177.55 3d4y s LEU 1003N -6.99 2.93 0.87 1.67 1.43 -1.26 -5.13 118.68 112.19 3d4y s LEU 1003Ca 0.01 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 3d4y s LEU 1003Cb 0.11 -1.73 0.11 0.00 0.03 0.00 0.00 46.19 44.70 3d4y s LEU 1003CO 0.69 0.19 1.10 -2.16 0.23 0.00 0.00 176.35 176.40 3d4y s PRO 1004N -2.06 1.52 -1.20 1.29 0.04 -1.26 -4.20 135.00 129.13 3d4y s PRO 1004Ca 0.20 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 3d4y s PRO 1004Cb -0.11 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.59 3d4y s PRO 1004CO 0.12 -2.02 0.81 0.09 0.04 0.00 0.00 177.00 176.03 3d4y n ASN 1005N -3.71 -5.58 -4.74 6.66 5.03 -1.26 -4.74 115.26 106.92 3d4y n ASN 1005Ca 0.07 -0.37 -0.41 0.00 0.87 0.00 0.00 54.58 54.73 3d4y n ASN 1005Cb 0.56 -4.27 -0.02 0.00 -1.02 0.00 0.00 39.78 35.02 3d4y n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3d4y s VAL 1006N -3.20 2.63 -0.07 2.41 0.11 -1.26 -1.77 120.40 119.25 3d4y s VAL 1006Ca 0.40 0.52 0.05 0.00 -2.93 0.00 0.00 61.98 60.02 3d4y s VAL 1006Cb -0.18 -3.33 -0.08 0.00 -1.53 0.00 0.00 36.38 31.27 3d4y s VAL 1006CO 0.50 0.08 0.15 0.00 -3.33 0.00 0.00 175.10 172.49 3d4y n ALA 1007N 2.56 2.33 -3.53 1.54 0.00 0.15 -4.88 120.51 118.69 3d4y n ALA 1007Ca 0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 3d4y n ALA 1007Cb 0.40 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 3d4y n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3d4y s ARG 1008N -2.14 0.94 -0.04 0.00 3.52 -1.14 -4.98 118.95 115.10 3d4y s ARG 1008Ca -0.01 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 3d4y s ARG 1008Cb 0.04 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 3d4y s ARG 1008CO 0.22 -0.31 -0.02 0.00 -0.81 0.00 0.00 175.30 174.38 3d4y s GLU 1010N 1.13 1.33 0.03 0.00 2.02 -0.30 -1.11 118.70 121.79 3d4y s GLU 1010Ca -0.08 -0.95 -0.20 0.00 0.02 0.00 0.00 54.97 53.77 3d4y s GLU 1010Cb -0.14 -1.45 -0.06 0.00 0.10 0.00 0.00 34.13 32.58 3d4y s GLU 1010CO -0.01 0.37 0.57 0.50 0.02 0.00 0.00 175.26 176.71 3d4y s ARG 1011N -1.24 4.25 0.28 1.61 3.52 0.29 -0.62 118.95 127.03 3d4y s ARG 1011Ca 0.07 0.71 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 3d4y s ARG 1011Cb -0.09 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 3d4y s ARG 1011CO 0.02 0.51 0.07 0.95 -0.81 0.00 0.00 175.30 176.04 3d4y s THR 1012N -0.65 0.81 1.01 4.11 -4.23 0.17 -0.11 115.64 116.75 3d4y s THR 1012Ca 0.30 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 3d4y s THR 1012Cb -0.19 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.19 3d4y s THR 1012CO 0.18 -0.04 1.10 0.42 -0.54 0.00 0.00 174.62 175.74 3d4y s THR 1013N -3.57 2.08 -0.08 3.99 -4.23 -0.48 -3.96 115.64 109.38 3d4y s THR 1013Ca 0.36 0.02 0.30 0.00 -1.18 0.00 0.00 61.69 61.20 3d4y s THR 1013Cb 0.08 -2.07 0.32 0.00 1.34 0.00 0.00 72.50 72.17 3d4y s THR 1013CO 0.14 -0.03 1.89 -0.07 -0.54 0.00 0.00 174.62 176.01 3d4y h LEU 1014N -2.15 0.00 -0.59 4.79 3.38 -1.70 0.29 115.31 119.32 3d4y h LEU 1014Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3d4y h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3d4y h LEU 1014CO 0.45 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 179.29 3d4y n THR 1015N -2.66 0.00 -0.95 0.22 -2.24 -1.26 -4.94 114.28 102.45 3d4y n THR 1015Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3d4y n THR 1015Cb 0.21 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3d4y n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3d4y n PHE 1016N -0.34 0.00 0.58 4.78 3.72 0.09 -4.90 117.46 121.39 3d4y n PHE 1016Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.70 3d4y n PHE 1016Cb 0.29 -0.79 0.08 0.00 -0.94 0.00 0.00 39.48 38.12 3d4y n PHE 1016CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3d4y n LEU 1017N 0.00 0.64 -3.89 4.37 4.77 -1.26 -4.83 117.00 116.79 3d4y n LEU 1017Ca 0.00 0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 3d4y n LEU 1017Cb 0.16 -0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 3d4y n LEU 1017CO 0.00 0.01 -0.40 -1.58 -1.33 0.00 0.00 177.39 174.09 3d4y s GLN 1018N -3.18 0.67 -0.05 3.23 0.74 -1.26 -5.01 119.66 114.80 3d4y s GLN 1018Ca 0.05 -0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.08 3d4y s GLN 1018Cb 0.14 -0.71 -0.02 0.00 1.10 0.00 0.00 33.01 33.52 3d4y s GLN 1018CO 0.77 -0.06 0.99 -0.80 -0.55 0.00 0.00 175.29 175.64 3d4y s ASN 1019N 0.78 7.31 -0.14 6.67 0.01 -1.26 -1.38 114.94 126.94 3d4y s ASN 1019Ca -0.10 1.60 0.12 0.00 -0.71 0.00 0.00 52.86 53.77 3d4y s ASN 1019Cb -0.13 -2.56 -0.17 0.00 0.41 0.00 0.00 41.25 38.80 3d4y s ASN 1019CO -0.00 -0.35 0.04 0.18 -1.51 0.00 0.00 177.10 175.46 3d4y n LEU 1020N 4.40 0.18 -3.65 0.60 4.77 0.84 -4.96 117.00 119.19 3d4y n LEU 1020Ca 0.07 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3d4y n LEU 1020Cb 0.50 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 3d4y n LEU 1020CO 0.52 0.37 0.32 -0.70 -1.33 0.00 0.00 177.39 176.56 3d4y s GLU 1021N -2.33 0.69 -0.19 3.23 2.12 -0.95 -4.96 118.70 116.30 3d4y s GLU 1021Ca -0.08 1.07 -0.21 0.00 0.36 0.00 0.00 54.97 56.11 3d4y s GLU 1021Cb 0.04 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 3d4y s GLU 1021CO 0.55 -0.13 0.66 -1.58 -0.54 0.00 0.00 175.26 174.22 3d4y s HIS 1022N 1.18 3.38 -0.12 5.30 5.65 -1.26 -0.55 115.29 128.88 3d4y s HIS 1022Ca -0.07 0.98 -0.15 0.00 0.25 0.00 0.00 55.06 56.07 3d4y s HIS 1022Cb -0.05 -2.83 -0.05 0.00 -1.18 0.00 0.00 32.58 28.47 3d4y s HIS 1022CO -0.12 -0.19 0.36 -0.51 -0.65 0.00 0.00 174.74 173.63 3d4y s LEU 1023N 1.96 4.31 0.11 8.88 1.43 -0.27 -4.98 118.68 130.12 3d4y s LEU 1023Ca 0.30 0.68 -0.33 0.00 -1.03 0.00 0.00 54.13 53.75 3d4y s LEU 1023Cb -0.16 -2.48 -0.12 0.00 0.03 0.00 0.00 46.19 43.46 3d4y s LEU 1023CO 0.11 0.14 1.75 0.47 0.23 0.00 0.00 176.35 179.04 3d4y n ASP 1024N 3.16 3.65 -0.14 2.29 8.00 -1.26 -2.30 116.55 129.94 3d4y n ASP 1024Ca -0.11 1.02 -0.02 0.00 0.71 0.00 0.00 54.79 56.39 3d4y n ASP 1024Cb 0.52 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 3d4y n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4y n GLY 1025N 3.98 0.45 2.43 0.44 0.00 -1.26 -2.83 105.19 108.40 3d4y n GLY 1025Ca 0.18 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3d4y n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d4y n MET 1026N -1.62 -1.91 -3.69 1.61 2.81 -0.97 -4.97 117.12 108.37 3d4y n MET 1026Ca -0.02 0.89 -0.36 0.00 -1.81 0.00 0.00 57.70 56.40 3d4y n MET 1026Cb 0.23 -5.55 -0.10 0.00 -0.71 0.00 0.00 33.22 27.10 3d4y n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3d4y s VAL 1027N -2.93 5.27 -0.32 2.03 1.01 -1.13 -4.59 120.40 119.74 3d4y s VAL 1027Ca 0.01 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3d4y s VAL 1027Cb -0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3d4y s VAL 1027CO 0.01 0.36 0.56 0.00 0.00 0.00 0.00 175.10 176.03 3d4y s ALA 1028N 1.01 3.51 0.51 5.51 0.00 -1.26 -4.65 121.76 126.38 3d4y s ALA 1028Ca 0.07 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 3d4y s ALA 1028Cb -0.13 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 3d4y s ALA 1028CO 0.04 -1.10 1.12 -1.25 0.00 0.00 0.00 175.76 174.56 3d4y s PRO 1029N 2.49 3.57 0.92 0.00 0.04 -1.26 -4.52 135.00 136.24 3d4y s PRO 1029Ca 0.22 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 3d4y s PRO 1029Cb -0.15 -2.14 0.14 0.00 0.04 0.00 0.00 34.50 32.39 3d4y s PRO 1029CO 0.12 -0.66 1.09 -1.21 0.04 0.00 0.00 177.00 176.38 3d4y s GLU 1030N -3.10 1.10 0.25 4.56 2.02 -1.26 -5.05 118.70 117.22 3d4y s GLU 1030Ca 0.69 0.82 0.07 0.00 0.02 0.00 0.00 54.97 56.57 3d4y s GLU 1030Cb -0.23 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 3d4y s GLU 1030CO 0.27 -2.35 0.17 0.14 0.02 0.00 0.00 175.26 173.51 3d4y s VAL 1031N -2.91 4.30 0.76 2.63 -7.23 -1.26 -5.11 120.40 111.57 3d4y s VAL 1031Ca 0.64 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 3d4y s VAL 1031Cb -0.18 -3.32 0.04 0.00 0.56 0.00 0.00 36.38 33.48 3d4y s VAL 1031CO 0.57 -0.35 1.08 0.00 -0.31 0.00 0.00 175.10 176.09 3d4y n PRO 1033N -3.37 1.91 -0.98 0.00 -0.02 -1.26 -1.36 135.00 129.92 3d4y n PRO 1033Ca 0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3d4y n PRO 1033Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3d4y n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3d4y n MET 1034N 2.28 -0.74 -4.03 -0.52 2.81 0.90 -4.92 117.12 112.91 3d4y n MET 1034Ca 0.13 0.18 -0.28 0.00 -1.81 0.00 0.00 57.70 55.93 3d4y n MET 1034Cb 0.30 -3.77 -0.05 0.00 -0.71 0.00 0.00 33.22 28.99 3d4y n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3d4y s GLU 1035N -0.78 3.08 -0.03 0.03 0.41 -0.46 -4.95 118.70 116.01 3d4y s GLU 1035Ca 0.00 -0.72 0.03 0.00 -0.41 0.00 0.00 54.97 53.87 3d4y s GLU 1035Cb 0.00 -2.78 -0.00 0.00 -1.78 0.00 0.00 34.13 29.57 3d4y s GLU 1035CO 0.00 0.52 -0.11 0.99 -0.49 0.00 0.00 175.26 176.18 3d4y s THR 1036N -1.65 0.92 0.09 3.63 2.01 -1.26 -1.73 115.64 117.66 3d4y s THR 1036Ca 0.32 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3d4y s THR 1036Cb -0.11 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3d4y s THR 1036CO 0.25 0.28 -0.07 0.00 -0.69 0.00 0.00 174.62 174.38 3d4y s ALA 1037N 0.08 0.97 0.00 7.40 0.00 -0.27 -4.99 121.76 124.96 3d4y s ALA 1037Ca -0.02 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3d4y s ALA 1037Cb -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3d4y s ALA 1037CO 0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 175.76 175.39 3d4y s ALA 1038N -3.20 1.67 0.04 0.00 0.00 -1.25 -0.27 121.76 118.75 3d4y s ALA 1038Ca 0.09 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3d4y s ALA 1038Cb 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3d4y s ALA 1038CO -0.03 0.40 -0.13 0.71 0.00 0.00 0.00 175.76 176.71 3d4y s TYR 1039N -0.57 1.12 -0.10 0.00 2.02 -0.16 -0.66 117.35 119.00 3d4y s TYR 1039Ca 0.07 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3d4y s TYR 1039Cb -0.08 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3d4y s TYR 1039CO 0.00 0.02 -0.16 0.08 -1.57 0.00 0.00 175.55 173.93 3d4y s VAL 1040N -0.95 1.48 -0.12 0.71 1.01 0.20 -0.14 120.40 122.59 3d4y s VAL 1040Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3d4y s VAL 1040Cb -0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3d4y s VAL 1040CO 0.01 0.44 0.08 -0.94 0.00 0.00 0.00 175.10 174.69 3d4y s SER 1041N 0.84 5.87 -0.03 3.32 1.04 -0.31 -1.15 113.70 123.27 3d4y s SER 1041Ca -0.10 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.65 3d4y s SER 1041Cb -0.15 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 3d4y s SER 1041CO 0.01 0.36 -0.07 -0.44 0.98 0.00 0.00 173.24 174.07 3d4y s SER 1042N -0.74 4.59 -0.01 7.02 0.01 0.05 -1.03 113.70 123.60 3d4y s SER 1042Ca 0.12 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3d4y s SER 1042Cb -0.12 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 3d4y s SER 1042CO 0.03 0.32 -0.08 -1.00 0.41 0.00 0.00 173.24 172.92 3d4y s HIS 1043N -0.89 0.73 -0.12 2.43 3.76 0.66 0.32 115.29 122.18 3d4y s HIS 1043Ca 0.14 -0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 3d4y s HIS 1043Cb -0.11 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 3d4y s HIS 1043CO 0.04 -0.02 1.05 0.45 -0.85 0.00 0.00 174.74 175.41 3d4y s SER 1044N -0.16 7.19 0.00 1.40 0.15 -0.73 -1.36 113.70 120.18 3d4y s SER 1044Ca 0.03 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.23 3d4y s SER 1044Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3d4y s SER 1044CO -0.00 -0.51 0.29 -1.54 1.20 0.00 0.00 173.24 172.67