#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r33 s GLN 32 N 0.00 2.97 -0.21 0.00 -0.21 -1.26 -4.98 119.66 115.96 1r33 s GLN 32 Ca 0.00 1.80 -0.23 0.00 0.02 0.00 0.00 55.36 56.96 1r33 s GLN 32 Cb 0.00 -1.93 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 1r33 s GLN 32 CO 0.00 -1.20 0.72 0.34 -2.12 0.00 0.00 175.29 173.03 1r33 s ASP 33 N -1.64 6.76 0.00 5.90 3.68 -1.26 -4.84 116.67 125.27 1r33 s ASP 33 Ca 0.77 0.93 0.22 0.00 2.13 0.00 0.00 52.55 56.60 1r33 s ASP 33 Cb -0.30 -2.39 0.52 0.00 -1.45 0.00 0.00 42.92 39.30 1r33 s ASP 33 CO 0.33 -0.37 1.44 1.33 0.13 0.00 0.00 175.17 178.03 1r33 n VAL 34 N 4.92 0.48 -0.05 1.11 0.24 -1.26 -4.49 118.33 119.28 1r33 n VAL 34 Ca 0.02 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.34 61.56 1r33 n VAL 34 Cb 0.49 0.73 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 1r33 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1r33 n VAL 35 N 1.17 0.58 1.09 3.34 0.31 -1.26 -4.86 118.33 118.70 1r33 n VAL 35 Ca 0.19 -0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 1r33 n VAL 35 Cb 0.52 -1.39 0.24 0.00 -0.91 0.00 0.00 33.84 32.29 1r33 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r33 n GLN 36 N -3.26 0.39 -3.97 5.55 6.02 -1.26 -4.30 117.38 116.55 1r33 n GLN 36 Ca -0.20 -0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.20 1r33 n GLN 36 Cb 0.66 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 30.29 1r33 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1r33 s ASP 37 N -2.78 4.73 -0.10 1.08 1.01 -1.26 -4.91 116.67 114.44 1r33 s ASP 37 Ca 0.16 -1.47 -0.30 0.00 0.71 0.00 0.00 52.55 51.65 1r33 s ASP 37 Cb 0.18 -1.65 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 1r33 s ASP 37 CO 0.64 -0.27 1.43 -0.69 0.21 0.00 0.00 175.17 176.50 1r33 s VAL 38 N 1.15 3.93 0.44 -1.27 1.01 -1.26 -4.72 120.40 119.68 1r33 s VAL 38 Ca -0.04 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.84 1r33 s VAL 38 Cb -0.20 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1r33 s VAL 38 CO -0.04 -0.09 1.43 -2.84 0.00 0.00 0.00 175.10 173.57 1r33 s PRO 39 N 3.52 3.73 -0.42 2.72 0.02 -1.26 -4.96 135.00 138.35 1r33 s PRO 39 Ca 0.63 2.43 -0.15 0.00 0.02 0.00 0.00 61.00 63.93 1r33 s PRO 39 Cb -0.28 -2.69 0.03 0.00 0.02 0.00 0.00 34.50 31.58 1r33 s PRO 39 CO 0.22 -0.78 0.32 1.21 -0.33 0.00 0.00 177.00 177.64 1r33 s ASN 40 N -0.48 6.12 0.20 2.53 2.47 -1.26 -5.05 114.94 119.46 1r33 s ASN 40 Ca 0.60 -0.97 0.08 0.00 0.42 0.00 0.00 52.86 52.99 1r33 s ASN 40 Cb -0.44 -2.16 -0.04 0.00 -1.45 0.00 0.00 41.25 37.15 1r33 s ASN 40 CO 0.57 -0.49 -0.16 0.68 -3.72 0.00 0.00 177.10 173.98 1r33 s VAL 41 N 1.68 1.84 0.21 -5.21 -7.23 -1.26 -5.05 120.40 105.38 1r33 s VAL 41 Ca 0.05 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 1r33 s VAL 41 Cb -0.20 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.78 1r33 s VAL 41 CO 0.09 -0.47 1.62 0.44 -0.31 0.00 0.00 175.10 176.48 1r33 h ASP 42 N 2.80 0.80 -3.21 4.85 3.32 -1.83 -3.42 116.42 119.72 1r33 h ASP 42 Ca -0.40 -0.29 -0.51 0.00 0.02 0.00 0.00 57.03 55.85 1r33 h ASP 42 Cb 1.22 -0.22 -0.37 0.00 0.22 0.00 0.00 39.33 40.18 1r33 h ASP 42 CO 0.57 1.00 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.61 1r33 s VAL 43 N -4.59 0.96 -0.19 -1.35 1.01 -0.55 -4.99 120.40 110.69 1r33 s VAL 43 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1r33 s VAL 43 Cb 0.13 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1r33 s VAL 43 CO 0.84 0.35 -0.18 -1.58 0.00 0.00 0.00 175.10 174.53 1r33 s GLN 44 N 1.64 2.93 0.48 2.72 -0.44 -1.26 -1.53 119.66 124.20 1r33 s GLN 44 Ca 0.03 -0.87 0.14 0.00 -2.50 0.00 0.00 55.36 52.16 1r33 s GLN 44 Cb -0.13 -2.64 1.12 0.00 -1.64 0.00 0.00 33.01 29.72 1r33 s GLN 44 CO -0.07 -0.25 2.07 0.52 0.50 0.00 0.00 175.29 178.06 1r33 h MET 45 N 7.94 0.05 -0.31 1.67 2.86 -1.62 0.62 114.93 126.13 1r33 h MET 45 Ca -0.43 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.04 1r33 h MET 45 Cb 1.13 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1r33 h MET 45 CO 0.62 0.11 -0.48 1.25 1.06 0.00 0.00 176.91 179.46 1r33 h LEU 46 N 0.05 0.94 -0.36 1.22 5.85 -1.93 -0.82 115.31 120.25 1r33 h LEU 46 Ca 0.01 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 1r33 h LEU 46 Cb 0.14 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1r33 h LEU 46 CO 0.01 1.26 -0.05 -0.08 -0.34 0.00 0.00 178.44 179.24 1r33 h GLU 47 N 0.68 0.67 -0.55 1.25 4.22 -1.62 -1.61 114.58 117.61 1r33 h GLU 47 Ca 0.03 -0.24 0.04 0.00 0.08 0.00 0.00 59.36 59.28 1r33 h GLU 47 Cb 1.08 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1r33 h GLU 47 CO 0.11 0.81 0.30 1.25 -2.18 0.00 0.00 179.01 179.29 1r33 h LEU 48 N 0.47 0.44 -1.28 1.64 5.85 -0.87 -1.72 115.31 119.85 1r33 h LEU 48 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1r33 h LEU 48 Cb 0.54 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1r33 h LEU 48 CO 0.03 0.30 0.39 1.88 -0.34 0.00 0.00 178.44 180.70 1r33 h TYR 49 N 0.57 0.85 -0.32 1.25 -1.99 -0.83 -0.20 116.97 116.31 1r33 h TYR 49 Ca 0.24 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.90 1r33 h TYR 49 Cb 0.13 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1r33 h TYR 49 CO -0.09 0.57 -0.11 0.22 -0.00 0.00 0.00 178.16 178.75 1r33 h ASP 50 N 0.90 0.52 0.49 3.88 -0.00 -0.43 -3.23 116.42 118.56 1r33 h ASP 50 Ca 0.24 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.03 56.83 1r33 h ASP 50 Cb -0.03 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.14 1r33 h ASP 50 CO -0.04 0.67 -1.56 -0.09 -0.00 0.00 0.00 179.24 178.22 1r33 h ARG 51 N 0.50 0.16 -7.02 0.28 2.43 -0.73 -3.48 114.38 106.51 1r33 h ARG 51 Ca 0.09 -0.27 -0.51 0.00 -0.81 0.00 0.00 59.98 58.48 1r33 h ARG 51 Cb 0.49 0.10 0.08 0.00 -0.42 0.00 0.00 29.97 30.22 1r33 h ARG 51 CO 0.03 0.95 0.49 -1.64 -1.51 0.00 0.00 179.97 178.29 1r33 s MET 52 N -2.62 3.59 0.00 0.20 -1.94 -0.16 -4.96 119.30 113.41 1r33 s MET 52 Ca -0.08 1.81 0.22 0.00 -1.71 0.00 0.00 55.69 55.92 1r33 s MET 52 Cb 0.07 -2.31 -0.17 0.00 2.01 0.00 0.00 34.83 34.44 1r33 s MET 52 CO 0.83 -0.70 0.87 -1.13 -0.01 0.00 0.00 175.02 174.88 1r33 n SER 53 N -0.72 0.74 -2.66 3.03 3.41 -1.26 -4.97 113.62 111.19 1r33 n SER 53 Ca 0.09 -0.68 -0.19 0.00 -0.26 0.00 0.00 58.87 57.82 1r33 n SER 53 Cb 0.48 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1r33 n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1r33 n PHE 54 N -1.69 -1.42 -2.35 7.33 3.01 -1.26 -4.93 117.46 116.14 1r33 n PHE 54 Ca 0.02 0.18 -0.40 0.00 1.01 0.00 0.00 57.45 58.25 1r33 n PHE 54 Cb 0.39 -3.72 -0.04 0.00 -0.01 0.00 0.00 39.48 36.10 1r33 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1r33 s LYS 55 N -5.30 4.54 -1.08 -1.08 -0.14 -1.26 -4.94 119.74 110.47 1r33 s LYS 55 Ca 0.11 1.94 -0.08 0.00 -1.36 0.00 0.00 55.97 56.59 1r33 s LYS 55 Cb -0.05 -3.16 0.27 0.00 -1.68 0.00 0.00 37.83 33.21 1r33 s LYS 55 CO 0.14 0.06 1.06 -3.47 -0.76 0.00 0.00 175.35 172.38 1r33 n ASP 56 N 1.22 5.28 -4.89 2.83 2.03 -1.26 -5.01 116.55 116.75 1r33 n ASP 56 Ca -0.00 -3.06 -0.27 0.00 0.52 0.00 0.00 54.79 51.98 1r33 n ASP 56 Cb 0.44 -1.32 -0.04 0.00 -0.72 0.00 0.00 41.12 39.48 1r33 n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1r33 s ILE 57 N -1.32 5.07 -0.34 5.18 -4.36 -1.26 -5.03 121.20 119.14 1r33 s ILE 57 Ca 0.30 -0.74 -0.29 0.00 -0.26 0.00 0.00 60.65 59.67 1r33 s ILE 57 Cb -0.09 -3.57 -0.01 0.00 1.25 0.00 0.00 42.46 40.03 1r33 s ILE 57 CO -0.09 -0.04 1.67 -0.62 0.24 0.00 0.00 174.94 176.10 1r33 s ASP 58 N -3.03 6.06 0.00 4.36 3.68 -1.26 -4.64 116.67 121.84 1r33 s ASP 58 Ca 0.33 1.19 0.16 0.00 2.13 0.00 0.00 52.55 56.36 1r33 s ASP 58 Cb -0.11 -2.53 0.58 0.00 -1.45 0.00 0.00 42.92 39.41 1r33 s ASP 58 CO 0.27 -1.59 1.43 0.61 0.13 0.00 0.00 175.17 176.02 1r33 n GLY 59 N 5.27 0.31 0.00 2.66 0.00 0.32 -5.02 105.19 108.74 1r33 n GLY 59 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1r33 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r33 n GLY 60 N 1.07 0.70 0.34 -0.02 0.00 -1.26 -3.78 105.19 102.23 1r33 n GLY 60 Ca 0.14 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.50 1r33 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1r33 h VAL 61 N 0.00 1.08 -2.65 1.61 -1.51 -1.94 -2.73 116.25 110.11 1r33 h VAL 61 Ca 0.00 -0.27 -0.69 0.00 -1.23 0.00 0.00 66.70 64.52 1r33 h VAL 61 Cb 0.00 0.23 -0.18 0.00 -2.13 0.00 0.00 31.29 29.21 1r33 h VAL 61 CO 0.00 0.14 0.60 0.86 -1.23 0.00 0.00 177.57 177.94 1r33 s TRP 62 N -5.68 3.05 0.41 5.19 -0.00 -1.21 -4.50 118.94 116.19 1r33 s TRP 62 Ca -0.10 -1.18 0.14 0.00 -0.00 0.00 0.00 56.10 54.96 1r33 s TRP 62 Cb 0.19 -4.21 1.00 0.00 -0.00 0.00 0.00 33.47 30.44 1r33 s TRP 62 CO 0.77 -1.46 1.92 0.87 -0.00 0.00 0.00 176.95 179.05 1r33 h LYS 63 N 8.97 0.46 -0.34 5.86 1.79 -1.77 -1.68 116.57 129.86 1r33 h LYS 63 Ca -0.02 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1r33 h LYS 63 Cb 1.05 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1r33 h LYS 63 CO 1.10 0.31 0.00 1.04 -1.08 0.00 0.00 179.45 180.81 1r33 n GLN 64 N -4.49 3.18 0.00 3.15 6.02 -1.26 -0.52 117.38 123.45 1r33 n GLN 64 Ca 0.14 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.41 1r33 n GLN 64 Cb 0.49 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1r33 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r33 n GLY 65 N -0.07 2.99 3.74 1.08 0.00 -0.63 -4.63 105.19 107.66 1r33 n GLY 65 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1r33 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1r33 s TRP 66 N 3.58 0.09 -0.54 1.61 -2.14 -1.26 -4.21 118.94 116.08 1r33 s TRP 66 Ca 0.00 -0.51 -0.28 0.00 2.66 0.00 0.00 56.10 57.97 1r33 s TRP 66 Cb 0.00 0.48 0.01 0.00 -3.10 0.00 0.00 33.47 30.86 1r33 s TRP 66 CO 0.00 -1.15 1.44 -0.80 -2.66 0.00 0.00 176.95 173.77 1r33 s ASN 67 N -2.98 6.11 0.22 -2.66 0.01 -1.25 -4.73 114.94 109.68 1r33 s ASN 67 Ca 0.16 0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 52.38 1r33 s ASN 67 Cb -0.04 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1r33 s ASN 67 CO 0.08 -1.70 1.24 -0.63 -1.51 0.00 0.00 177.10 174.58 1r33 s ILE 68 N 6.12 3.33 0.11 0.60 1.01 -1.26 -5.03 121.20 126.08 1r33 s ILE 68 Ca 0.54 1.16 0.10 0.00 0.00 0.00 0.00 60.65 62.45 1r33 s ILE 68 Cb -0.11 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1r33 s ILE 68 CO 0.26 0.21 -0.25 -0.54 0.00 0.00 0.00 174.94 174.61 1r33 s LYS 69 N -0.57 1.35 0.06 2.79 1.02 -1.26 -4.98 119.74 118.16 1r33 s LYS 69 Ca 0.52 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 1r33 s LYS 69 Cb -0.35 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 1r33 s LYS 69 CO 0.40 0.42 0.03 1.52 -0.92 0.00 0.00 175.35 176.80 1r33 s TYR 70 N -1.06 0.44 -0.40 3.18 -0.85 -1.26 -4.99 117.35 112.40 1r33 s TYR 70 Ca 0.12 -0.95 -0.20 0.00 -0.52 0.00 0.00 57.07 55.52 1r33 s TYR 70 Cb -0.10 -0.31 0.01 0.00 0.38 0.00 0.00 41.96 41.95 1r33 s TYR 70 CO 0.05 -0.43 0.61 0.34 -1.52 0.00 0.00 175.55 174.61 1r33 s ASP 71 N -2.91 6.34 0.62 -0.18 -1.08 -1.26 -4.94 116.67 113.26 1r33 s ASP 71 Ca 0.07 -0.19 0.30 0.00 -0.52 0.00 0.00 52.55 52.21 1r33 s ASP 71 Cb 0.07 -2.31 1.63 0.00 -1.46 0.00 0.00 42.92 40.85 1r33 s ASP 71 CO -0.10 -0.68 1.99 1.55 0.52 0.00 0.00 175.17 178.45 1r33 h PRO 72 N 8.71 0.00 -0.00 4.34 0.13 -1.99 -0.23 132.00 142.96 1r33 h PRO 72 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1r33 h PRO 72 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1r33 h PRO 72 CO 0.86 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.90 1r33 n LEU 73 N -3.47 0.12 -0.18 1.56 4.77 -1.26 -3.80 117.00 114.73 1r33 n LEU 73 Ca 0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1r33 n LEU 73 Cb 0.44 -0.04 0.20 0.00 -2.33 0.00 0.00 43.42 41.69 1r33 n LEU 73 CO 0.23 0.02 1.09 0.50 -1.33 0.00 0.00 177.39 177.90 1r33 h LYS 74 N 0.18 0.93 -5.97 3.23 3.64 -1.45 -3.41 116.57 113.73 1r33 h LYS 74 Ca 0.00 -0.13 -0.68 0.00 -1.27 0.00 0.00 60.65 58.57 1r33 h LYS 74 Cb 0.08 -0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 31.60 1r33 h LYS 74 CO 0.00 0.74 -0.61 0.71 -2.27 0.00 0.00 179.45 178.02 1r33 s TYR 75 N -5.49 3.20 0.23 1.91 1.51 -1.25 -4.93 117.35 112.53 1r33 s TYR 75 Ca -0.10 0.21 -0.05 0.00 -1.01 0.00 0.00 57.07 56.12 1r33 s TYR 75 Cb 0.16 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1r33 s TYR 75 CO 0.80 0.50 0.40 0.27 -1.11 0.00 0.00 175.55 176.41 1r33 n ASN 76 N 1.95 -1.15 -0.03 2.29 0.23 -0.65 -4.91 115.26 113.00 1r33 n ASN 76 Ca -0.18 -2.07 0.20 0.00 -0.53 0.00 0.00 54.58 52.00 1r33 n ASN 76 Cb 0.54 1.99 0.66 0.00 -2.08 0.00 0.00 39.78 40.88 1r33 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r33 h ALA 77 N 1.91 2.44 -0.00 -2.53 0.00 -1.94 -1.03 119.26 118.11 1r33 h ALA 77 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r33 h ALA 77 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1r33 h ALA 77 CO 0.25 -0.61 -0.56 0.72 0.00 0.00 0.00 179.25 179.05 1r33 n HIS 78 N -4.39 0.00 -3.38 0.00 8.25 -1.26 -4.58 115.22 109.85 1r33 n HIS 78 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 1r33 n HIS 78 Cb 0.60 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 1r33 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r33 s HIS 79 N -2.86 0.81 0.47 4.41 5.04 -0.40 -5.14 115.29 117.62 1r33 s HIS 79 Ca 0.14 -2.01 -0.03 0.00 -1.54 0.00 0.00 55.06 51.61 1r33 s HIS 79 Cb 0.18 -0.83 -0.02 0.00 0.04 0.00 0.00 32.58 31.94 1r33 s HIS 79 CO 0.69 -0.86 0.74 0.15 -2.34 0.00 0.00 174.74 173.13 1r33 s LYS 80 N 0.41 3.37 -0.25 2.88 1.02 -1.20 -1.64 119.74 124.32 1r33 s LYS 80 Ca 0.28 -0.04 -0.17 0.00 0.02 0.00 0.00 55.97 56.06 1r33 s LYS 80 Cb -0.04 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1r33 s LYS 80 CO -0.13 -0.22 0.49 -1.17 -0.92 0.00 0.00 175.35 173.40 1r33 s LEU 81 N -4.67 4.06 -0.24 3.17 2.96 -0.27 -4.86 118.68 118.83 1r33 s LEU 81 Ca 0.47 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 1r33 s LEU 81 Cb -0.10 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1r33 s LEU 81 CO 0.42 -0.25 0.45 -0.54 -1.32 0.00 0.00 176.35 175.10 1r33 s LYS 82 N 2.17 4.10 -0.18 1.98 1.02 0.51 -1.35 119.74 127.99 1r33 s LYS 82 Ca 0.20 0.22 -0.01 0.00 0.02 0.00 0.00 55.97 56.41 1r33 s LYS 82 Cb -0.16 -3.61 -0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1r33 s LYS 82 CO 0.09 -0.22 -0.11 0.08 -0.92 0.00 0.00 175.35 174.27 1r33 s VAL 83 N 1.90 2.95 -0.30 3.17 1.01 0.01 0.20 120.40 129.33 1r33 s VAL 83 Ca 0.19 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1r33 s VAL 83 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1r33 s VAL 83 CO 0.09 0.49 0.10 -0.36 0.00 0.00 0.00 175.10 175.41 1r33 s PHE 84 N 1.03 3.16 -0.30 5.22 0.40 -0.14 -1.41 117.98 125.93 1r33 s PHE 84 Ca -0.01 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.21 1r33 s PHE 84 Cb -0.15 -2.28 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1r33 s PHE 84 CO -0.02 -0.57 0.45 0.08 0.70 0.00 0.00 175.22 175.86 1r33 s VAL 85 N 1.51 5.10 -0.39 -0.44 1.01 -0.05 -1.06 120.40 126.09 1r33 s VAL 85 Ca 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1r33 s VAL 85 Cb -0.17 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1r33 s VAL 85 CO 0.03 -0.01 0.17 -0.69 0.00 0.00 0.00 175.10 174.60 1r33 s VAL 86 N 2.22 3.37 0.30 2.92 1.01 -0.03 -1.03 120.40 129.17 1r33 s VAL 86 Ca 0.17 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.07 1r33 s VAL 86 Cb -0.16 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 1r33 s VAL 86 CO 0.11 -0.53 1.32 -2.84 0.00 0.00 0.00 175.10 173.16 1r33 s PRO 87 N 1.21 4.35 0.22 2.72 0.02 -1.26 -0.52 135.00 141.75 1r33 s PRO 87 Ca 0.04 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.12 1r33 s PRO 87 Cb -0.22 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.21 1r33 s PRO 87 CO -0.02 -0.22 0.47 -3.38 -0.33 0.00 0.00 177.00 173.52 1r33 s HIS 88 N -0.82 0.18 -0.18 6.54 -3.43 -0.52 -1.72 115.29 115.34 1r33 s HIS 88 Ca 0.51 -0.54 -0.04 0.00 -0.80 0.00 0.00 55.06 54.19 1r33 s HIS 88 Cb -0.39 0.25 0.09 0.00 -1.43 0.00 0.00 32.58 31.09 1r33 s HIS 88 CO 0.49 -0.94 0.28 0.45 -2.00 0.00 0.00 174.74 173.02 1r33 s SER 89 N -2.96 0.70 -0.34 7.38 0.15 -1.26 -3.87 113.70 113.49 1r33 s SER 89 Ca 0.16 0.23 -0.28 0.00 0.70 0.00 0.00 55.95 56.76 1r33 s SER 89 Cb -0.00 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1r33 s SER 89 CO 0.04 -0.28 1.03 -2.28 1.20 0.00 0.00 173.24 172.94 1r33 s HIS 90 N 2.42 3.11 -0.41 3.44 2.46 -0.64 -4.76 115.29 120.91 1r33 s HIS 90 Ca 0.06 1.04 0.01 0.00 0.47 0.00 0.00 55.06 56.64 1r33 s HIS 90 Cb -0.14 -3.72 0.11 0.00 -0.13 0.00 0.00 32.58 28.70 1r33 s HIS 90 CO -0.11 -0.81 0.16 -0.80 -2.47 0.00 0.00 174.74 170.71 1r33 s ASN 91 N 1.77 4.97 0.01 9.88 0.01 -1.26 -0.20 114.94 130.12 1r33 s ASN 91 Ca 0.43 -2.23 -0.30 0.00 -0.71 0.00 0.00 52.86 50.05 1r33 s ASN 91 Cb -0.12 -1.73 -0.06 0.00 0.41 0.00 0.00 41.25 39.75 1r33 s ASN 91 CO 0.17 -0.43 1.49 -1.81 -1.51 0.00 0.00 177.10 175.01 1r33 s ASP 92 N 1.16 6.77 -1.43 -1.22 1.01 -1.26 -4.87 116.67 116.83 1r33 s ASP 92 Ca 0.11 2.22 -0.12 0.00 0.71 0.00 0.00 52.55 55.47 1r33 s ASP 92 Cb -0.21 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 1r33 s ASP 92 CO -0.05 -0.78 2.53 -2.65 0.21 0.00 0.00 175.17 174.42 1r33 n PRO 93 N 5.60 3.06 0.00 8.23 -0.02 -1.26 -4.61 135.00 146.00 1r33 n PRO 93 Ca 0.14 -2.25 0.00 0.00 -2.02 0.00 0.00 63.50 59.37 1r33 n PRO 93 Cb 0.43 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 1r33 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r33 n GLY 94 N 3.87 2.25 0.00 -1.23 0.00 -1.26 -4.53 105.19 104.28 1r33 n GLY 94 Ca 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1r33 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1r33 n TRP 95 N 2.03 0.00 1.07 1.61 -0.00 -1.26 -4.70 117.44 116.18 1r33 n TRP 95 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 1r33 n TRP 95 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 31.42 1r33 n TRP 95 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 1r33 n ILE 96 N -0.34 0.00 -4.21 5.87 -5.35 -1.26 -1.24 119.36 112.84 1r33 n ILE 96 Ca 0.00 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 1r33 n ILE 96 Cb 0.00 1.07 -0.10 0.00 -1.74 0.00 0.00 39.64 38.87 1r33 n ILE 96 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1r33 s GLN 97 N -2.42 0.97 0.85 6.28 -0.21 -1.26 -4.87 119.66 119.00 1r33 s GLN 97 Ca 0.21 -1.43 -0.12 0.00 0.02 0.00 0.00 55.36 54.04 1r33 s GLN 97 Cb 0.19 -0.26 0.10 0.00 1.00 0.00 0.00 33.01 34.04 1r33 s GLN 97 CO 0.53 -0.06 1.12 0.95 -2.12 0.00 0.00 175.29 175.71 1r33 s THR 98 N -3.62 2.51 0.16 -0.19 -4.23 -1.26 -4.24 115.64 104.76 1r33 s THR 98 Ca 0.18 0.16 -0.22 0.00 -1.18 0.00 0.00 61.69 60.63 1r33 s THR 98 Cb 0.05 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 71.03 1r33 s THR 98 CO -0.01 -0.21 1.62 0.15 -0.54 0.00 0.00 174.62 175.63 1r33 h PHE 99 N -1.29 -0.71 -0.37 3.99 3.57 -1.90 -0.25 116.94 119.98 1r33 h PHE 99 Ca -0.49 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 1r33 h PHE 99 Cb 1.30 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 1r33 h PHE 99 CO 0.37 -0.34 -0.10 1.49 -2.23 0.00 0.00 178.31 177.51 1r33 h GLU 100 N -0.23 0.64 -0.16 1.11 4.57 -1.96 -0.07 114.58 118.48 1r33 h GLU 100 Ca 0.16 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1r33 h GLU 100 Cb 0.49 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1r33 h GLU 100 CO -0.46 0.73 0.06 0.93 -1.18 0.00 0.00 179.01 179.09 1r33 h GLU 101 N 0.59 0.24 -0.79 1.92 5.08 -1.79 -0.79 114.58 119.04 1r33 h GLU 101 Ca 0.11 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1r33 h GLU 101 Cb 0.52 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1r33 h GLU 101 CO 0.03 0.35 0.39 1.88 -1.00 0.00 0.00 179.01 180.66 1r33 h TYR 102 N 0.09 1.13 -0.35 4.33 0.05 -0.90 -0.31 116.97 121.00 1r33 h TYR 102 Ca 0.05 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1r33 h TYR 102 Cb 0.20 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1r33 h TYR 102 CO -0.01 0.82 0.22 -0.92 -1.05 0.00 0.00 178.16 177.22 1r33 h TYR 103 N 1.11 0.41 -0.44 4.88 3.20 -0.68 0.16 116.97 125.61 1r33 h TYR 103 Ca 0.27 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.01 1r33 h TYR 103 Cb 0.10 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1r33 h TYR 103 CO 0.01 0.24 -0.28 1.96 -1.64 0.00 0.00 178.16 178.45 1r33 h GLN 104 N 0.44 0.97 0.01 1.82 1.08 -0.93 -1.05 115.11 117.46 1r33 h GLN 104 Ca 0.14 -0.46 -0.24 0.00 -1.45 0.00 0.00 58.65 56.64 1r33 h GLN 104 Cb -0.02 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1r33 h GLN 104 CO -0.05 1.12 -1.27 0.45 -0.95 0.00 0.00 178.83 178.13 1r33 h HIS 105 N 0.81 0.03 0.00 2.96 3.86 -0.95 -3.45 115.15 118.42 1r33 h HIS 105 Ca 0.09 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1r33 h HIS 105 Cb 0.87 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1r33 h HIS 105 CO 0.06 1.03 -0.08 -0.25 0.86 0.00 0.00 177.93 179.55 1r33 n ASP 106 N -3.26 0.18 -0.30 2.45 8.00 0.41 -4.88 116.55 119.16 1r33 n ASP 106 Ca -0.07 0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.70 1r33 n ASP 106 Cb 0.98 0.14 0.13 0.00 -0.02 0.00 0.00 41.12 42.35 1r33 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1r33 h THR 107 N 0.00 1.25 -0.12 -3.53 2.02 -1.15 -0.52 112.91 110.86 1r33 h THR 107 Ca 0.00 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 1r33 h THR 107 Cb 0.08 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1r33 h THR 107 CO 0.00 0.28 -0.21 0.07 0.37 0.00 0.00 175.52 176.03 1r33 h LYS 108 N 1.19 0.20 -0.16 6.66 2.10 -1.42 -0.37 116.57 124.77 1r33 h LYS 108 Ca 0.30 -0.05 -0.18 0.00 -2.00 0.00 0.00 60.65 58.71 1r33 h LYS 108 Cb 0.02 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1r33 h LYS 108 CO -0.05 0.41 -0.61 0.45 -2.00 0.00 0.00 179.45 177.65 1r33 h HIS 109 N 0.18 0.93 -0.10 0.07 3.86 -1.59 -1.42 115.15 117.10 1r33 h HIS 109 Ca 0.03 -0.39 0.02 0.00 -1.16 0.00 0.00 60.37 58.87 1r33 h HIS 109 Cb 0.48 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1r33 h HIS 109 CO 0.01 1.20 -0.04 0.82 0.86 0.00 0.00 177.93 180.78 1r33 h ILE 110 N 0.40 0.87 -0.40 2.45 2.04 -0.74 -0.21 117.51 121.92 1r33 h ILE 110 Ca -0.03 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1r33 h ILE 110 Cb 1.24 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1r33 h ILE 110 CO 0.13 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 178.00 1r33 h LEU 111 N -0.02 0.80 -0.34 1.44 3.38 -1.10 0.17 115.31 119.64 1r33 h LEU 111 Ca 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1r33 h LEU 111 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1r33 h LEU 111 CO -0.11 0.99 0.11 -1.28 0.09 0.00 0.00 178.44 178.23 1r33 h SER 112 N 0.69 0.50 0.63 -0.43 0.87 -1.12 -0.55 113.55 114.14 1r33 h SER 112 Ca 0.10 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1r33 h SER 112 Cb 0.72 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1r33 h SER 112 CO 0.06 0.57 -0.59 0.78 -0.53 0.00 0.00 176.83 177.12 1r33 h ASN 113 N 0.40 0.00 -0.72 6.23 2.35 -0.91 -2.09 115.58 120.84 1r33 h ASN 113 Ca 0.11 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1r33 h ASN 113 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1r33 h ASN 113 CO -0.00 0.59 0.18 0.00 -1.65 0.00 0.00 177.43 176.55 1r33 h ALA 114 N 1.41 0.96 -0.25 -0.83 0.00 -0.41 0.83 119.26 120.98 1r33 h ALA 114 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1r33 h ALA 114 Cb 1.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1r33 h ALA 114 CO 0.08 0.67 0.10 1.25 0.00 0.00 0.00 179.25 181.35 1r33 h LEU 115 N 1.09 0.34 0.23 0.00 5.85 -0.81 -0.48 115.31 121.52 1r33 h LEU 115 Ca 0.23 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1r33 h LEU 115 Cb 0.37 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1r33 h LEU 115 CO 0.00 0.40 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.30 1r33 h ARG 116 N 0.25 -0.30 -0.77 1.25 2.43 -1.21 -1.18 114.38 114.86 1r33 h ARG 116 Ca 0.08 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1r33 h ARG 116 Cb 0.16 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1r33 h ARG 116 CO -0.01 -0.11 0.27 0.45 -1.51 0.00 0.00 179.97 179.07 1r33 h HIS 117 N -0.43 1.20 -0.25 2.20 3.86 -0.80 -0.81 115.15 120.12 1r33 h HIS 117 Ca -0.03 -0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 58.90 1r33 h HIS 117 Cb 0.33 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1r33 h HIS 117 CO -0.03 0.92 -0.54 -0.07 0.86 0.00 0.00 177.93 179.08 1r33 h LEU 118 N 1.12 0.83 -0.79 2.43 3.38 -1.09 -1.69 115.31 119.51 1r33 h LEU 118 Ca 0.25 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1r33 h LEU 118 Cb 0.26 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1r33 h LEU 118 CO -0.01 1.21 0.51 -0.74 0.09 0.00 0.00 178.44 179.49 1r33 h HIS 119 N 0.58 0.95 0.00 1.13 2.76 -0.90 -2.94 115.15 116.73 1r33 h HIS 119 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1r33 h HIS 119 Cb 1.12 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.77 1r33 h HIS 119 CO 0.06 0.55 -0.22 -0.25 -1.30 0.00 0.00 177.93 176.77 1r33 n ASP 120 N -4.59 0.44 -3.63 3.26 8.00 -0.34 -4.49 116.55 115.20 1r33 n ASP 120 Ca 0.09 0.29 -0.29 0.00 0.71 0.00 0.00 54.79 55.59 1r33 n ASP 120 Cb 0.08 -0.29 -0.12 0.00 -0.02 0.00 0.00 41.12 40.76 1r33 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1r33 s ASN 121 N -3.62 3.28 0.55 -2.24 0.01 -0.65 -5.00 114.94 107.28 1r33 s ASN 121 Ca 0.11 -2.69 0.34 0.00 -0.71 0.00 0.00 52.86 49.91 1r33 s ASN 121 Cb 0.16 -0.86 1.49 0.00 0.41 0.00 0.00 41.25 42.45 1r33 s ASN 121 CO 0.62 -0.25 1.80 -0.65 -1.51 0.00 0.00 177.10 177.11 1r33 h PRO 122 N 6.53 0.00 0.00 -0.60 0.11 -1.79 -1.44 132.00 134.81 1r33 h PRO 122 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1r33 h PRO 122 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1r33 h PRO 122 CO 0.44 0.00 -0.52 -0.85 -0.21 0.00 0.00 178.00 176.86 1r33 n GLU 123 N -4.05 0.25 -2.51 1.05 0.00 -1.26 -4.90 120.64 109.22 1r33 n GLU 123 Ca 0.22 0.09 -0.36 0.00 0.00 0.00 0.00 57.16 57.11 1r33 n GLU 123 Cb 1.13 -1.68 -0.04 0.00 0.00 0.00 0.00 31.44 30.86 1r33 n GLU 123 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 1r33 s MET 124 N -3.14 4.06 0.22 3.44 1.75 -0.54 -4.72 119.30 120.37 1r33 s MET 124 Ca 0.07 1.52 0.05 0.00 -1.25 0.00 0.00 55.69 56.08 1r33 s MET 124 Cb 0.14 -2.46 -0.05 0.00 2.84 0.00 0.00 34.83 35.30 1r33 s MET 124 CO 0.70 -0.23 -0.04 0.15 -0.65 0.00 0.00 175.02 174.94 1r33 s LYS 125 N -2.63 1.33 -0.26 4.11 -0.14 -1.26 -4.79 119.74 116.10 1r33 s LYS 125 Ca 0.60 -1.65 -0.25 0.00 -1.36 0.00 0.00 55.97 53.30 1r33 s LYS 125 Cb -0.22 -0.76 0.10 0.00 -1.68 0.00 0.00 37.83 35.26 1r33 s LYS 125 CO 0.27 -0.02 0.87 0.12 -0.76 0.00 0.00 175.35 175.83 1r33 s PHE 126 N -3.29 -0.63 0.09 3.18 5.36 -0.26 -4.35 117.98 118.09 1r33 s PHE 126 Ca 0.26 1.50 0.07 0.00 -0.96 0.00 0.00 56.93 57.79 1r33 s PHE 126 Cb 0.04 0.32 -0.04 0.00 -0.34 0.00 0.00 43.02 43.01 1r33 s PHE 126 CO 0.08 -0.32 -0.10 0.96 -1.46 0.00 0.00 175.22 174.37 1r33 s ILE 127 N 0.18 3.35 -0.04 3.12 -4.36 -0.70 -0.98 121.20 121.77 1r33 s ILE 127 Ca 0.01 -1.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 1r33 s ILE 127 Cb -0.05 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.12 1r33 s ILE 127 CO -0.02 0.14 -0.08 0.86 0.24 0.00 0.00 174.94 176.08 1r33 s TRP 128 N -1.19 0.97 -0.18 1.37 -0.11 -0.16 -4.36 118.94 115.28 1r33 s TRP 128 Ca 0.21 -0.28 -0.04 0.00 1.22 0.00 0.00 56.10 57.21 1r33 s TRP 128 Cb -0.11 -0.74 -0.10 0.00 -1.50 0.00 0.00 33.47 31.03 1r33 s TRP 128 CO 0.13 -0.16 -0.19 0.00 -4.62 0.00 0.00 176.95 172.11 1r33 n ALA 129 N 3.62 1.73 -2.79 5.86 0.00 -1.26 -0.93 120.51 126.73 1r33 n ALA 129 Ca -0.21 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.07 1r33 n ALA 129 Cb 0.53 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 1r33 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1r33 s GLU 130 N -2.34 3.16 0.38 0.00 8.01 -1.26 -4.00 118.70 122.65 1r33 s GLU 130 Ca -0.24 -0.68 0.19 0.00 0.01 0.00 0.00 54.97 54.25 1r33 s GLU 130 Cb 0.08 -4.19 0.73 0.00 -4.31 0.00 0.00 34.13 26.44 1r33 s GLU 130 CO 0.36 -1.79 1.76 0.82 0.01 0.00 0.00 175.26 176.42 1r33 h ILE 131 N 5.99 0.88 -0.63 -1.63 1.08 -1.24 -2.86 117.51 119.10 1r33 h ILE 131 Ca -0.28 -1.44 0.10 0.00 -0.39 0.00 0.00 64.86 62.85 1r33 h ILE 131 Cb 1.07 1.87 -0.08 0.00 -3.07 0.00 0.00 36.82 36.62 1r33 h ILE 131 CO 1.17 0.35 0.24 0.77 -0.69 0.00 0.00 178.15 179.99 1r33 h SER 132 N 0.00 0.24 -0.27 1.72 4.64 -1.43 0.24 113.55 118.68 1r33 h SER 132 Ca -0.00 0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1r33 h SER 132 Cb 0.85 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1r33 h SER 132 CO 0.05 0.13 -0.50 1.88 -0.87 0.00 0.00 176.83 177.52 1r33 h TYR 133 N 0.42 1.03 -0.65 4.77 0.99 -1.77 -2.89 116.97 118.87 1r33 h TYR 133 Ca 0.32 -0.37 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 1r33 h TYR 133 Cb 0.41 -0.19 -0.03 0.00 1.00 0.00 0.00 36.73 37.92 1r33 h TYR 133 CO -0.17 1.18 0.10 0.35 -0.00 0.00 0.00 178.16 179.62 1r33 h PHE 134 N 0.58 1.14 -0.48 4.88 3.57 -1.12 -1.29 116.94 124.22 1r33 h PHE 134 Ca 0.01 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 1r33 h PHE 134 Cb 1.11 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1r33 h PHE 134 CO 0.08 0.96 0.04 0.00 -2.23 0.00 0.00 178.31 177.15 1r33 h ALA 135 N 1.09 0.64 -0.42 2.41 0.00 -0.59 0.36 119.26 122.75 1r33 h ALA 135 Ca 0.20 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1r33 h ALA 135 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1r33 h ALA 135 CO 0.01 0.41 0.20 -0.09 0.00 0.00 0.00 179.25 179.78 1r33 h ARG 136 N 0.68 0.39 0.30 0.00 9.65 -1.27 -1.77 114.38 122.35 1r33 h ARG 136 Ca 0.14 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1r33 h ARG 136 Cb 0.46 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1r33 h ARG 136 CO 0.02 0.26 -0.14 0.35 2.80 0.00 0.00 179.97 183.25 1r33 h PHE 137 N 0.40 -0.37 -0.77 2.20 3.57 -1.02 -3.17 116.94 117.78 1r33 h PHE 137 Ca 0.18 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1r33 h PHE 137 Cb 0.11 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1r33 h PHE 137 CO -0.11 -0.09 0.45 -0.92 -2.23 0.00 0.00 178.31 175.41 1r33 h TYR 138 N -0.63 0.83 0.00 0.41 3.20 -0.85 -1.17 116.97 118.76 1r33 h TYR 138 Ca -0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1r33 h TYR 138 Cb 0.45 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1r33 h TYR 138 CO 0.00 0.39 -0.11 0.45 -1.64 0.00 0.00 178.16 177.26 1r33 h HIS 139 N 0.81 0.00 0.00 -3.82 3.86 -1.39 -2.22 115.15 112.40 1r33 h HIS 139 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1r33 h HIS 139 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1r33 h HIS 139 CO -0.06 0.11 -0.31 -0.25 0.86 0.00 0.00 177.93 178.28 1r33 n ASP 140 N -3.31 0.44 -4.78 2.45 9.92 -0.48 -4.90 116.55 115.89 1r33 n ASP 140 Ca -0.00 0.17 -0.36 0.00 -0.53 0.00 0.00 54.79 54.06 1r33 n ASP 140 Cb 0.33 -0.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 1r33 n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1r33 s LEU 141 N -3.50 4.06 0.77 0.64 1.43 -0.84 -5.04 118.68 116.20 1r33 s LEU 141 Ca 0.11 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1r33 s LEU 141 Cb 0.16 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.18 1r33 s LEU 141 CO 0.64 -0.70 1.08 -0.83 0.23 0.00 0.00 176.35 176.77 1r33 s GLY 142 N -1.53 1.65 0.31 -3.19 0.00 -1.26 -4.75 107.32 98.54 1r33 s GLY 142 Ca 0.61 0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.38 1r33 s GLY 142 CO 0.30 0.40 1.88 -2.09 0.00 0.00 0.00 173.10 173.59 1r33 h GLU 143 N -1.01 0.93 -0.61 2.90 4.57 -1.97 -0.07 114.58 119.32 1r33 h GLU 143 Ca -0.45 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1r33 h GLU 143 Cb 1.24 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 1r33 h GLU 143 CO 0.56 0.62 0.34 -0.97 -1.18 0.00 0.00 179.01 178.38 1r33 h ASN 144 N 0.96 0.76 0.41 1.04 -0.73 -2.00 -1.56 115.58 114.45 1r33 h ASN 144 Ca 0.43 -0.09 -0.15 0.00 1.87 0.00 0.00 56.30 58.37 1r33 h ASN 144 Cb 0.37 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1r33 h ASN 144 CO -0.19 0.63 -0.61 0.11 -0.37 0.00 0.00 177.43 176.99 1r33 h LYS 145 N 0.83 0.20 -0.79 6.67 1.79 -1.67 -1.94 116.57 121.67 1r33 h LYS 145 Ca 0.22 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1r33 h LYS 145 Cb 0.03 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1r33 h LYS 145 CO -0.04 0.75 0.46 0.87 -1.08 0.00 0.00 179.45 180.42 1r33 h LYS 146 N 0.15 1.08 -0.52 3.15 1.57 -0.65 -0.06 116.57 121.28 1r33 h LYS 146 Ca -0.01 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1r33 h LYS 146 Cb 1.12 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1r33 h LYS 146 CO 0.09 0.78 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.62 1r33 h LEU 147 N 1.09 0.96 -0.90 2.94 3.38 -1.09 -0.75 115.31 120.94 1r33 h LEU 147 Ca 0.28 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1r33 h LEU 147 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1r33 h LEU 147 CO -0.05 1.07 0.20 1.56 0.09 0.00 0.00 178.44 181.31 1r33 h GLN 148 N 0.84 1.01 -0.37 1.13 4.20 -0.87 -1.85 115.11 119.20 1r33 h GLN 148 Ca 0.14 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1r33 h GLN 148 Cb 0.61 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1r33 h GLN 148 CO 0.04 0.87 0.01 1.98 -0.67 0.00 0.00 178.83 181.06 1r33 h MET 149 N 0.98 0.64 -0.23 1.46 4.05 -0.78 -1.95 114.93 119.10 1r33 h MET 149 Ca 0.22 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1r33 h MET 149 Cb 0.28 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1r33 h MET 149 CO -0.01 0.74 0.06 0.87 0.23 0.00 0.00 176.91 178.80 1r33 h LYS 150 N 0.46 0.33 -0.30 0.39 1.57 -0.90 -2.33 116.57 115.79 1r33 h LYS 150 Ca 0.11 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1r33 h LYS 150 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1r33 h LYS 150 CO 0.02 0.30 -0.24 1.03 -0.57 0.00 0.00 179.45 179.99 1r33 h SER 151 N 0.33 0.73 1.17 0.86 0.87 -0.94 0.84 113.55 117.41 1r33 h SER 151 Ca 0.08 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1r33 h SER 151 Cb 0.12 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1r33 h SER 151 CO -0.00 1.02 0.00 0.16 -0.53 0.00 0.00 176.83 177.48 1r33 h ILE 152 N 0.44 0.00 0.09 2.23 3.07 -1.01 -0.67 117.51 121.66 1r33 h ILE 152 Ca 0.05 -0.47 -0.17 0.00 1.55 0.00 0.00 64.86 65.82 1r33 h ILE 152 Cb 0.79 1.38 0.01 0.00 -0.27 0.00 0.00 36.82 38.73 1r33 h ILE 152 CO 0.06 0.00 -0.83 0.58 -1.05 0.00 0.00 178.15 176.91 1r33 h VAL 153 N 0.00 1.40 -0.99 0.16 2.07 -1.27 -1.15 116.25 116.47 1r33 h VAL 153 Ca 0.00 -2.43 0.05 0.00 0.82 0.00 0.00 66.70 65.14 1r33 h VAL 153 Cb 0.59 3.03 -0.06 0.00 -1.52 0.00 0.00 31.29 33.33 1r33 h VAL 153 CO 0.00 0.65 0.64 0.50 0.02 0.00 0.00 177.57 179.38 1r33 h LYS 154 N -0.55 1.17 -0.00 1.57 3.64 -0.64 -1.93 116.57 119.83 1r33 h LYS 154 Ca -0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1r33 h LYS 154 Cb 1.50 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1r33 h LYS 154 CO 0.06 0.77 -0.00 0.27 -2.27 0.00 0.00 179.45 178.29 1r33 n ASN 155 N -4.48 0.28 0.00 4.20 0.23 -0.27 -4.93 115.26 110.28 1r33 n ASN 155 Ca 0.14 -1.09 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 1r33 n ASN 155 Cb 0.13 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1r33 n ASN 155 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r33 n GLY 156 N 1.03 0.74 0.15 4.83 0.00 -0.73 -4.95 105.19 106.27 1r33 n GLY 156 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1r33 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r33 h GLN 157 N 2.86 0.51 -5.01 1.61 4.20 -1.49 -3.43 115.11 114.36 1r33 h GLN 157 Ca 0.00 -0.83 -0.65 0.00 0.06 0.00 0.00 58.65 57.23 1r33 h GLN 157 Cb 0.00 0.30 -0.23 0.00 0.30 0.00 0.00 27.48 27.85 1r33 h GLN 157 CO 0.00 1.39 -0.65 -1.17 -0.67 0.00 0.00 178.83 177.73 1r33 s LEU 158 N -7.71 3.30 -0.07 1.46 0.20 -0.61 -1.10 118.68 114.15 1r33 s LEU 158 Ca -0.10 -0.23 0.05 0.00 0.69 0.00 0.00 54.13 54.53 1r33 s LEU 158 Cb 0.04 -1.87 -0.00 0.00 -0.43 0.00 0.00 46.19 43.93 1r33 s LEU 158 CO 0.92 -0.00 -0.22 -0.70 -0.29 0.00 0.00 176.35 176.06 1r33 s GLU 159 N 1.41 2.53 0.04 1.98 2.12 -0.15 -4.34 118.70 122.29 1r33 s GLU 159 Ca 0.05 -0.80 -0.24 0.00 0.36 0.00 0.00 54.97 54.34 1r33 s GLU 159 Cb -0.15 -2.04 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 1r33 s GLU 159 CO 0.02 0.25 0.74 -0.06 -0.54 0.00 0.00 175.26 175.67 1r33 s PHE 160 N 0.14 3.73 -0.12 5.30 0.40 -1.26 -0.99 117.98 125.18 1r33 s PHE 160 Ca -0.10 1.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.67 1r33 s PHE 160 Cb -0.15 -2.79 -0.01 0.00 0.51 0.00 0.00 43.02 40.58 1r33 s PHE 160 CO 0.05 0.29 -0.15 0.14 0.70 0.00 0.00 175.22 176.25 1r33 s VAL 161 N -0.08 2.86 0.00 -0.44 -7.23 -0.11 -4.66 120.40 110.74 1r33 s VAL 161 Ca 0.37 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1r33 s VAL 161 Cb -0.20 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1r33 s VAL 161 CO 0.22 0.54 0.00 0.41 -0.31 0.00 0.00 175.10 175.96 1r33 n THR 162 N 3.42 0.00 -0.67 5.32 -1.04 0.09 -4.29 114.28 117.11 1r33 n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1r33 n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1r33 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r33 n GLY 163 N 0.00 0.60 3.89 3.41 0.00 -1.26 -4.64 105.19 107.20 1r33 n GLY 163 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1r33 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r33 s GLY 164 N -2.53 1.62 0.42 -0.02 0.00 -1.26 -1.87 107.32 103.69 1r33 s GLY 164 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 44.72 44.43 1r33 s GLY 164 CO 0.00 -0.06 2.00 -0.25 0.00 0.00 0.00 173.10 174.79 1r33 h TRP 165 N -0.49 0.51 -3.43 1.90 -0.00 -1.43 -1.65 115.95 111.35 1r33 h TRP 165 Ca -0.45 0.01 -0.23 0.00 -0.00 0.00 0.00 58.89 58.22 1r33 h TRP 165 Cb 1.25 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.16 30.18 1r33 h TRP 165 CO 0.51 0.27 -0.21 1.33 -0.00 0.00 0.00 178.44 180.35 1r33 n VAL 166 N -4.47 0.00 -3.63 2.65 0.24 -1.26 -1.37 118.33 110.49 1r33 n VAL 166 Ca 0.08 -1.23 -0.39 0.00 -2.04 0.00 0.00 64.34 60.76 1r33 n VAL 166 Cb 0.25 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 1r33 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1r33 s MET 167 N -2.66 2.48 0.66 7.34 -2.45 -1.26 -4.88 119.30 118.54 1r33 s MET 167 Ca 0.20 -2.04 -0.15 0.00 -1.25 0.00 0.00 55.69 52.45 1r33 s MET 167 Cb 0.01 -3.84 0.00 0.00 1.25 0.00 0.00 34.83 32.25 1r33 s MET 167 CO 0.14 -1.17 1.12 -1.25 1.05 0.00 0.00 175.02 174.92 1r33 s PRO 168 N 0.83 2.74 0.62 4.11 0.04 -1.26 -2.99 135.00 139.09 1r33 s PRO 168 Ca 0.10 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 1r33 s PRO 168 Cb -0.22 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1r33 s PRO 168 CO -0.03 -1.30 1.32 0.34 0.04 0.00 0.00 177.00 177.36 1r33 s ASP 169 N -2.45 4.77 0.00 6.66 2.15 -0.14 -4.63 116.67 123.03 1r33 s ASP 169 Ca 0.68 2.67 0.08 0.00 0.43 0.00 0.00 52.55 56.41 1r33 s ASP 169 Cb -0.22 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.78 1r33 s ASP 169 CO 0.41 -1.90 0.57 -0.62 -0.17 0.00 0.00 175.17 173.46 1r33 n GLU 170 N -1.68 1.92 -0.11 4.34 1.02 -1.26 -4.43 120.64 120.44 1r33 n GLU 170 Ca 0.14 -0.59 -0.24 0.00 -0.02 0.00 0.00 57.16 56.46 1r33 n GLU 170 Cb 0.47 -1.02 -0.11 0.00 -0.02 0.00 0.00 31.44 30.76 1r33 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r33 n ALA 171 N -0.19 0.89 0.05 0.62 0.00 -1.26 -4.55 120.51 116.06 1r33 n ALA 171 Ca 0.03 -0.66 0.08 0.00 0.00 0.00 0.00 53.44 52.90 1r33 n ALA 171 Cb 0.16 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1r33 n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r33 n ASN 172 N -4.39 0.54 -4.76 0.00 3.02 -1.26 -4.53 115.26 103.88 1r33 n ASN 172 Ca -0.38 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 1r33 n ASN 172 Cb 0.73 0.91 -0.02 0.00 -0.61 0.00 0.00 39.78 40.79 1r33 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1r33 s SER 173 N -5.17 6.79 0.27 6.41 1.04 -1.26 -4.77 113.70 117.01 1r33 s SER 173 Ca -0.04 2.64 -0.28 0.00 0.48 0.00 0.00 55.95 58.75 1r33 s SER 173 Cb 0.11 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 1r33 s SER 173 CO 0.83 -0.54 0.93 -2.28 0.98 0.00 0.00 173.24 173.16 1r33 s HIS 174 N -0.85 3.87 0.47 5.02 2.46 -1.26 -4.20 115.29 120.79 1r33 s HIS 174 Ca 0.51 1.85 0.16 0.00 0.47 0.00 0.00 55.06 58.05 1r33 s HIS 174 Cb -0.39 -2.94 1.12 0.00 -0.13 0.00 0.00 32.58 30.24 1r33 s HIS 174 CO 0.50 0.37 2.02 0.11 -2.47 0.00 0.00 174.74 175.26 1r33 h TRP 175 N 3.78 0.28 -0.56 3.88 5.08 -1.12 0.08 115.95 127.36 1r33 h TRP 175 Ca -0.46 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 1r33 h TRP 175 Cb 1.20 -0.09 -0.03 0.00 -3.00 0.00 0.00 29.16 27.24 1r33 h TRP 175 CO 0.61 0.14 0.24 0.00 -1.28 0.00 0.00 178.44 178.15 1r33 h ARG 176 N 0.27 0.80 0.00 0.12 3.08 -1.92 -0.55 114.38 116.18 1r33 h ARG 176 Ca 0.21 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1r33 h ARG 176 Cb 0.47 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1r33 h ARG 176 CO -0.04 0.65 -0.86 -0.91 -1.07 0.00 0.00 179.97 177.74 1r33 h ASN 177 N 0.80 0.00 -0.50 7.04 2.35 -1.41 -0.93 115.58 122.92 1r33 h ASN 177 Ca 0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1r33 h ASN 177 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1r33 h ASN 177 CO -0.02 0.74 0.17 0.58 -1.65 0.00 0.00 177.43 177.25 1r33 h VAL 178 N 0.00 1.23 -0.63 2.81 2.07 -0.91 -1.29 116.25 119.53 1r33 h VAL 178 Ca -0.04 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1r33 h VAL 178 Cb 1.60 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1r33 h VAL 178 CO 0.09 0.27 0.11 0.25 0.02 0.00 0.00 177.57 178.32 1r33 h LEU 179 N 0.67 0.98 -0.25 2.57 5.85 -1.02 -1.99 115.31 122.12 1r33 h LEU 179 Ca 0.16 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1r33 h LEU 179 Cb 0.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1r33 h LEU 179 CO -0.01 0.99 0.16 0.25 -0.34 0.00 0.00 178.44 179.49 1r33 h LEU 180 N 0.94 0.27 -0.72 2.25 5.85 -0.88 0.98 115.31 124.00 1r33 h LEU 180 Ca 0.19 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 1r33 h LEU 180 Cb 0.41 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1r33 h LEU 180 CO 0.01 0.20 -0.58 0.06 -0.34 0.00 0.00 178.44 177.79 1r33 h GLN 181 N 0.33 0.18 -0.33 1.25 -0.00 -1.19 0.19 115.11 115.54 1r33 h GLN 181 Ca 0.10 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 1r33 h GLN 181 Cb -0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 1r33 h GLN 181 CO -0.03 0.71 0.03 1.25 -0.00 0.00 0.00 178.83 180.79 1r33 h LEU 182 N 0.13 0.55 -0.65 0.06 5.85 -0.95 -0.80 115.31 119.50 1r33 h LEU 182 Ca -0.00 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 1r33 h LEU 182 Cb 1.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1r33 h LEU 182 CO 0.09 0.69 0.03 0.74 -0.34 0.00 0.00 178.44 179.64 1r33 h THR 183 N 0.38 1.27 -0.34 1.05 2.02 -0.46 0.13 112.91 116.95 1r33 h THR 183 Ca 0.10 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1r33 h THR 183 Cb 0.39 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1r33 h THR 183 CO 0.01 0.41 0.23 -0.08 0.37 0.00 0.00 175.52 176.46 1r33 h GLU 184 N 1.00 0.45 -0.29 6.66 4.57 -0.40 0.27 114.58 126.84 1r33 h GLU 184 Ca 0.18 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.17 1r33 h GLU 184 Cb 0.53 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1r33 h GLU 184 CO 0.03 0.30 -0.48 0.78 -1.18 0.00 0.00 179.01 178.45 1r33 h GLY 185 N 0.46 0.92 2.00 1.92 0.00 -1.27 -2.94 103.07 104.15 1r33 h GLY 185 Ca 0.13 -1.04 -0.11 0.00 0.00 0.00 0.00 47.33 46.31 1r33 h GLY 185 CO -0.03 0.94 -0.52 1.46 0.00 0.00 0.00 176.54 178.39 1r33 h GLN 186 N 0.61 0.00 -0.31 4.80 4.20 -0.22 -0.68 115.11 123.51 1r33 h GLN 186 Ca 0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 1r33 h GLN 186 Cb 1.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1r33 h GLN 186 CO 0.11 0.52 -0.43 1.15 -0.67 0.00 0.00 178.83 179.51 1r33 h THR 187 N 0.00 1.28 -0.09 -0.54 2.02 -0.97 -0.61 112.91 114.00 1r33 h THR 187 Ca -0.01 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1r33 h THR 187 Cb 1.01 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1r33 h THR 187 CO 0.07 0.53 0.03 -0.25 0.37 0.00 0.00 175.52 176.27 1r33 h TRP 188 N 0.64 0.14 -0.80 3.16 7.01 -1.32 -1.81 115.95 122.95 1r33 h TRP 188 Ca 0.04 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.08 1r33 h TRP 188 Cb 1.00 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 1r33 h TRP 188 CO 0.05 0.26 0.50 -0.07 -2.79 0.00 0.00 178.44 176.39 1r33 h LEU 189 N -0.03 0.79 -0.44 0.65 3.38 -0.87 -0.22 115.31 118.58 1r33 h LEU 189 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1r33 h LEU 189 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1r33 h LEU 189 CO -0.00 0.52 0.14 0.50 0.09 0.00 0.00 178.44 179.69 1r33 h LYS 190 N 0.93 0.68 -0.11 1.13 3.64 -0.97 0.34 116.57 122.20 1r33 h LYS 190 Ca 0.34 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1r33 h LYS 190 Cb 0.11 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1r33 h LYS 190 CO -0.15 0.65 0.02 0.37 -2.27 0.00 0.00 179.45 178.07 1r33 h GLN 191 N 0.57 0.17 0.00 1.90 4.15 -0.85 -2.74 115.11 118.30 1r33 h GLN 191 Ca 0.14 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.34 1r33 h GLN 191 Cb 0.25 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1r33 h GLN 191 CO -0.01 0.36 -1.98 1.19 -1.93 0.00 0.00 178.83 176.46 1r33 n PHE 192 N -4.86 0.27 0.35 3.99 3.01 -0.14 -4.51 117.46 115.57 1r33 n PHE 192 Ca -0.06 0.09 0.04 0.00 1.01 0.00 0.00 57.45 58.53 1r33 n PHE 192 Cb 0.16 -0.85 -0.03 0.00 -0.01 0.00 0.00 39.48 38.74 1r33 n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1r33 n MET 193 N -2.61 4.08 -3.72 -1.08 2.81 0.95 -4.99 117.12 112.55 1r33 n MET 193 Ca -0.16 -0.10 -0.25 0.00 -1.81 0.00 0.00 57.70 55.37 1r33 n MET 193 Cb 0.86 -0.89 0.05 0.00 -0.71 0.00 0.00 33.22 32.54 1r33 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1r33 n ASN 194 N -1.01 -4.33 -3.85 7.83 5.15 0.18 -4.87 115.26 114.36 1r33 n ASN 194 Ca 0.02 -0.69 -0.12 0.00 -0.60 0.00 0.00 54.58 53.19 1r33 n ASN 194 Cb 0.13 -4.42 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 1r33 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1r33 s VAL 195 N -3.38 0.07 -0.22 3.44 -7.23 -1.20 -4.98 120.40 106.90 1r33 s VAL 195 Ca 0.45 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 1r33 s VAL 195 Cb -0.21 -0.43 0.06 0.00 0.56 0.00 0.00 36.38 36.36 1r33 s VAL 195 CO 0.78 -0.32 0.01 -0.89 -0.31 0.00 0.00 175.10 174.38 1r33 s THR 196 N -1.18 0.91 0.43 5.32 2.01 -1.26 -3.38 115.64 118.50 1r33 s THR 196 Ca -0.13 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.75 1r33 s THR 196 Cb -0.07 -1.36 -0.09 0.00 0.01 0.00 0.00 72.50 70.99 1r33 s THR 196 CO 0.02 -0.21 1.39 -2.65 -0.69 0.00 0.00 174.62 172.48 1r33 n PRO 197 N 4.90 2.22 -0.01 4.92 -0.02 -1.26 -4.91 135.00 140.84 1r33 n PRO 197 Ca -0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1r33 n PRO 197 Cb 0.46 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.38 1r33 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1r33 n THR 198 N -0.12 0.37 -5.12 3.45 -2.24 -1.26 -4.76 114.28 104.60 1r33 n THR 198 Ca 0.05 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.85 1r33 n THR 198 Cb 0.40 0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 1r33 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r33 s ALA 199 N -0.42 1.96 0.03 6.98 0.00 -1.26 -0.56 121.76 128.49 1r33 s ALA 199 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1r33 s ALA 199 Cb 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1r33 s ALA 199 CO 0.01 0.36 0.03 0.45 0.00 0.00 0.00 175.76 176.62 1r33 s SER 200 N -0.06 5.30 -0.23 0.00 0.15 -0.18 -0.73 113.70 117.96 1r33 s SER 200 Ca -0.05 -0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 1r33 s SER 200 Cb -0.13 -1.41 0.06 0.00 -1.71 0.00 0.00 66.02 62.84 1r33 s SER 200 CO 0.04 0.24 -0.00 0.86 1.20 0.00 0.00 173.24 175.58 1r33 s TRP 201 N -1.20 1.82 -0.53 3.44 -0.11 -1.26 -0.70 118.94 120.40 1r33 s TRP 201 Ca 0.23 -1.43 0.04 0.00 1.22 0.00 0.00 56.10 56.16 1r33 s TRP 201 Cb -0.12 -1.41 0.16 0.00 -1.50 0.00 0.00 33.47 30.61 1r33 s TRP 201 CO 0.14 -0.72 0.37 0.00 -4.62 0.00 0.00 176.95 172.12 1r33 s ALA 202 N 1.59 2.51 -1.30 5.86 0.00 -0.51 -4.85 121.76 125.05 1r33 s ALA 202 Ca -0.02 -3.00 0.25 0.00 0.00 0.00 0.00 51.96 49.19 1r33 s ALA 202 Cb -0.18 -1.89 0.51 0.00 0.00 0.00 0.00 23.12 21.56 1r33 s ALA 202 CO -0.09 -2.04 1.41 0.44 0.00 0.00 0.00 175.76 175.48 1r33 n ILE 203 N 2.72 0.00 0.00 0.00 -5.35 -1.26 -3.22 119.36 112.25 1r33 n ILE 203 Ca 0.20 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1r33 n ILE 203 Cb 0.39 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1r33 n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1r33 n ASP 204 N -1.15 2.30 -4.67 7.28 4.64 -1.26 -4.41 116.55 119.28 1r33 n ASP 204 Ca 0.08 -0.14 -0.38 0.00 -1.38 0.00 0.00 54.79 52.97 1r33 n ASP 204 Cb 0.34 0.74 0.05 0.00 -1.04 0.00 0.00 41.12 41.22 1r33 n ASP 204 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1r33 n PRO 205 N -0.97 1.20 -2.75 -0.67 -0.02 -1.26 -4.84 135.00 125.69 1r33 n PRO 205 Ca 0.00 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.50 1r33 n PRO 205 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1r33 n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1r33 n PHE 206 N -1.44 4.55 0.00 6.00 3.72 -1.26 -4.38 117.46 124.65 1r33 n PHE 206 Ca 0.13 -3.17 0.00 0.00 -0.05 0.00 0.00 57.45 54.35 1r33 n PHE 206 Cb 0.46 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.76 1r33 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r33 n GLY 207 N 4.10 2.50 3.06 1.37 0.00 -1.06 -4.58 105.19 110.59 1r33 n GLY 207 Ca 0.40 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 1r33 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r33 s HIS 208 N -2.83 0.84 -0.02 1.61 3.76 -1.06 -4.64 115.29 112.96 1r33 s HIS 208 Ca 0.00 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 1r33 s HIS 208 Cb 0.00 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1r33 s HIS 208 CO 0.00 -0.01 -0.14 0.45 -0.85 0.00 0.00 174.74 174.18 1r33 s SER 209 N -0.88 4.03 0.05 1.40 0.15 -1.26 -1.05 113.70 116.14 1r33 s SER 209 Ca -0.01 -0.25 0.16 0.00 0.70 0.00 0.00 55.95 56.54 1r33 s SER 209 Cb -0.06 -0.81 0.68 0.00 -1.71 0.00 0.00 66.02 64.12 1r33 s SER 209 CO 0.00 0.31 1.50 -0.81 1.20 0.00 0.00 173.24 175.45 1r33 n PRO 210 N 2.00 0.04 0.27 5.44 -0.04 -1.26 -1.81 135.00 139.64 1r33 n PRO 210 Ca -0.17 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1r33 n PRO 210 Cb 0.52 -1.57 0.74 0.00 -0.04 0.00 0.00 33.50 33.14 1r33 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1r33 h THR 211 N 0.00 0.82 0.38 0.52 2.02 -1.94 -2.35 112.91 112.36 1r33 h THR 211 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1r33 h THR 211 Cb 0.26 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1r33 h THR 211 CO 0.00 0.02 -0.18 0.24 0.37 0.00 0.00 175.52 175.96 1r33 h MET 212 N 0.00 -0.50 -0.20 6.66 2.86 -1.77 -1.66 114.93 120.33 1r33 h MET 212 Ca -0.00 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1r33 h MET 212 Cb 0.03 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1r33 h MET 212 CO 0.00 -0.19 0.12 -1.00 1.06 0.00 0.00 176.91 176.91 1r33 h PRO 213 N -0.83 0.26 0.19 -0.22 0.13 -1.73 0.20 132.00 130.00 1r33 h PRO 213 Ca -0.05 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1r33 h PRO 213 Cb 0.54 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 1r33 h PRO 213 CO 0.09 0.18 -0.28 -0.92 -0.23 0.00 0.00 178.00 176.84 1r33 h TYR 214 N 0.27 -0.76 -0.24 1.56 3.20 -1.30 0.11 116.97 119.81 1r33 h TYR 214 Ca 0.07 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1r33 h TYR 214 Cb -0.01 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1r33 h TYR 214 CO 0.00 -0.40 -0.20 0.82 -1.64 0.00 0.00 178.16 176.74 1r33 h ILE 215 N -0.54 1.31 -0.65 1.81 2.04 -0.90 -3.09 117.51 117.49 1r33 h ILE 215 Ca 0.01 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1r33 h ILE 215 Cb 0.54 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1r33 h ILE 215 CO -0.12 0.42 0.32 -0.07 0.00 0.00 0.00 178.15 178.70 1r33 h LEU 216 N 0.26 0.85 -1.61 1.44 3.38 -0.54 -2.19 115.31 116.91 1r33 h LEU 216 Ca 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1r33 h LEU 216 Cb 0.74 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1r33 h LEU 216 CO 0.05 0.74 -0.21 -0.61 0.09 0.00 0.00 178.44 178.50 1r33 h GLN 217 N 0.90 0.00 -0.43 1.13 -0.00 -0.84 0.10 115.11 115.98 1r33 h GLN 217 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 1r33 h GLN 217 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.59 1r33 h GLN 217 CO -0.03 0.21 0.00 1.63 0.00 0.00 0.00 178.83 180.64 1r33 n LYS 218 N -3.84 2.00 -0.56 1.69 5.02 -0.92 -3.71 118.16 117.84 1r33 n LYS 218 Ca -0.02 -1.55 0.06 0.00 -2.02 0.00 0.00 58.31 54.78 1r33 n LYS 218 Cb 0.31 -1.34 0.12 0.00 -0.02 0.00 0.00 35.03 34.10 1r33 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1r33 n SER 219 N 0.76 1.53 0.00 4.39 7.64 0.26 -1.58 113.62 126.62 1r33 n SER 219 Ca 0.14 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 57.01 1r33 n SER 219 Cb 0.36 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1r33 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r33 n GLY 220 N -0.78 0.98 3.80 0.23 0.00 -1.13 -4.91 105.19 103.38 1r33 n GLY 220 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1r33 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r33 s PHE 221 N -3.39 2.98 0.00 1.61 0.40 -0.63 -4.81 117.98 114.14 1r33 s PHE 221 Ca 0.00 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 1r33 s PHE 221 Cb 0.00 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.48 1r33 s PHE 221 CO 0.00 -1.00 0.00 1.63 0.70 0.00 0.00 175.22 176.55 1r33 n LYS 222 N -1.46 1.64 -3.73 0.44 4.76 0.27 -4.59 118.16 115.50 1r33 n LYS 222 Ca 0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1r33 n LYS 222 Cb 0.53 -0.87 -0.08 0.00 -1.84 0.00 0.00 35.03 32.76 1r33 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1r33 s ASN 223 N -1.72 -0.23 0.05 4.39 -0.87 -0.99 -3.85 114.94 111.73 1r33 s ASN 223 Ca 0.00 0.07 -0.08 0.00 -1.57 0.00 0.00 52.86 51.28 1r33 s ASN 223 Cb 0.00 0.35 -0.00 0.00 -0.02 0.00 0.00 41.25 41.58 1r33 s ASN 223 CO 0.00 -0.52 0.17 0.00 -2.57 0.00 0.00 177.10 174.18 1r33 s MET 224 N -1.68 0.71 -0.02 -0.60 0.23 -0.15 -1.01 119.30 116.79 1r33 s MET 224 Ca -0.11 -0.77 0.04 0.00 -1.03 0.00 0.00 55.69 53.83 1r33 s MET 224 Cb -0.03 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1r33 s MET 224 CO 0.03 -0.20 -0.14 -1.17 -2.03 0.00 0.00 175.02 171.51 1r33 s LEU 225 N -2.34 1.96 0.18 0.18 0.20 0.12 -0.60 118.68 118.38 1r33 s LEU 225 Ca -0.02 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.57 1r33 s LEU 225 Cb 0.01 -0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 44.99 1r33 s LEU 225 CO -0.06 0.15 -0.01 0.27 -0.29 0.00 0.00 176.35 176.40 1r33 s ILE 226 N -0.17 0.81 0.00 6.68 -4.36 -0.26 -1.43 121.20 122.47 1r33 s ILE 226 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1r33 s ILE 226 Cb -0.07 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1r33 s ILE 226 CO 0.00 -0.48 0.00 1.67 0.24 0.00 0.00 174.94 176.37 1r33 n GLN 227 N -0.27 0.00 -2.64 0.37 -0.06 -1.20 -1.38 117.38 112.21 1r33 n GLN 227 Ca -0.07 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.52 1r33 n GLN 227 Cb 0.63 -0.14 -0.03 0.00 -4.06 0.00 0.00 30.24 26.64 1r33 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1r33 s ARG 228 N -1.79 3.61 0.13 3.69 0.52 -1.26 -4.75 118.95 119.11 1r33 s ARG 228 Ca 0.00 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 53.98 1r33 s ARG 228 Cb 0.00 -5.28 -0.04 0.00 0.52 0.00 0.00 34.95 30.15 1r33 s ARG 228 CO 0.00 -2.12 -0.15 0.95 0.02 0.00 0.00 175.30 174.00 1r33 s THR 229 N 4.47 1.43 0.11 0.02 -4.23 -1.26 -2.55 115.64 113.63 1r33 s THR 229 Ca 0.44 -1.78 -0.35 0.00 -1.18 0.00 0.00 61.69 58.82 1r33 s THR 229 Cb -0.01 -1.61 -0.17 0.00 1.34 0.00 0.00 72.50 72.05 1r33 s THR 229 CO -0.09 -0.41 1.13 1.57 -0.54 0.00 0.00 174.62 176.28 1r33 n HIS 230 N 0.44 1.04 0.04 3.99 -0.00 -1.26 -4.74 115.22 114.74 1r33 n HIS 230 Ca -0.15 0.79 0.17 0.00 0.46 0.00 0.00 57.72 58.99 1r33 n HIS 230 Cb 0.57 -2.22 0.66 0.00 -0.12 0.00 0.00 29.99 28.88 1r33 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 1r33 h TYR 231 N 3.40 0.06 -0.17 1.57 -0.00 -1.81 0.08 116.97 120.10 1r33 h TYR 231 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.16 1r33 h TYR 231 Cb 1.37 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 38.07 1r33 h TYR 231 CO 0.55 0.03 -0.42 0.77 -0.00 0.00 0.00 178.16 179.09 1r33 h SER 232 N 0.05 0.42 -0.22 0.10 0.02 -1.88 -2.20 113.55 109.83 1r33 h SER 232 Ca 0.20 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1r33 h SER 232 Cb 0.74 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1r33 h SER 232 CO -0.01 0.79 -0.20 0.58 -1.14 0.00 0.00 176.83 176.85 1r33 h VAL 233 N 0.33 1.32 -0.35 2.27 2.07 -1.35 -1.56 116.25 118.98 1r33 h VAL 233 Ca 0.03 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.26 1r33 h VAL 233 Cb 0.87 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1r33 h VAL 233 CO 0.07 0.42 0.03 0.11 0.02 0.00 0.00 177.57 178.22 1r33 h LYS 234 N 0.21 0.14 -0.22 1.57 1.57 -1.30 0.74 116.57 119.29 1r33 h LYS 234 Ca 0.04 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1r33 h LYS 234 Cb 0.74 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1r33 h LYS 234 CO 0.05 0.09 0.13 -0.22 -0.57 0.00 0.00 179.45 178.93 1r33 h LYS 235 N 0.14 0.25 -0.07 3.15 3.64 -1.30 0.12 116.57 122.50 1r33 h LYS 235 Ca 0.17 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1r33 h LYS 235 Cb 0.21 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1r33 h LYS 235 CO -0.25 0.17 0.04 1.49 -2.27 0.00 0.00 179.45 178.63 1r33 h GLU 236 N 0.26 0.10 -0.31 1.90 4.57 -0.94 -1.45 114.58 118.72 1r33 h GLU 236 Ca 0.08 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 1r33 h GLU 236 Cb -0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1r33 h GLU 236 CO -0.04 0.17 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.67 1r33 h LEU 237 N 0.01 0.59 -0.81 1.64 3.38 -0.78 -2.85 115.31 116.48 1r33 h LEU 237 Ca 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1r33 h LEU 237 Cb 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1r33 h LEU 237 CO -0.00 0.81 0.45 0.00 0.09 0.00 0.00 178.44 179.79 1r33 h ALA 238 N 1.24 1.04 0.00 1.53 0.00 -0.49 0.20 119.26 122.77 1r33 h ALA 238 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1r33 h ALA 238 Cb 0.67 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r33 h ALA 238 CO 0.05 0.54 -0.05 1.96 0.00 0.00 0.00 179.25 181.75 1r33 h GLN 239 N 1.12 0.00 -0.47 0.00 4.20 -1.04 -1.69 115.11 117.24 1r33 h GLN 239 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1r33 h GLN 239 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1r33 h GLN 239 CO -0.05 0.05 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 1r33 n GLN 240 N -4.33 2.51 -3.87 1.46 1.13 -0.78 -4.95 117.38 108.55 1r33 n GLN 240 Ca -0.03 -2.30 -0.25 0.00 -1.94 0.00 0.00 57.00 52.48 1r33 n GLN 240 Cb 0.13 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1r33 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1r33 n ARG 241 N 1.33 -4.11 -0.87 -1.09 1.74 -0.32 -4.90 116.66 108.43 1r33 n ARG 241 Ca 0.19 0.50 -0.04 0.00 -0.77 0.00 0.00 57.85 57.73 1r33 n ARG 241 Cb 0.56 -4.90 0.19 0.00 -1.02 0.00 0.00 32.46 27.28 1r33 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1r33 n GLN 242 N -4.38 1.92 0.13 5.56 6.02 0.54 -4.62 117.38 122.55 1r33 n GLN 242 Ca -0.25 -3.30 0.13 0.00 -0.01 0.00 0.00 57.00 53.57 1r33 n GLN 242 Cb 0.66 -1.82 0.28 0.00 1.02 0.00 0.00 30.24 30.38 1r33 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1r33 h LEU 243 N 1.11 0.00 -8.45 1.08 3.38 -1.82 -3.41 115.31 107.20 1r33 h LEU 243 Ca 0.20 -0.03 -0.66 0.00 0.09 0.00 0.00 57.88 57.47 1r33 h LEU 243 Cb 1.49 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.95 1r33 h LEU 243 CO 0.36 0.02 -0.79 -1.61 0.09 0.00 0.00 178.44 176.51 1r33 s GLU 244 N -3.15 3.27 0.14 1.13 2.02 -1.26 -0.67 118.70 120.19 1r33 s GLU 244 Ca 0.08 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.23 1r33 s GLU 244 Cb 0.10 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.69 1r33 s GLU 244 CO 0.65 0.06 0.33 -0.59 0.02 0.00 0.00 175.26 175.73 1r33 s PHE 245 N 0.72 0.11 -0.51 1.61 -0.12 -0.46 -4.28 117.98 115.04 1r33 s PHE 245 Ca -0.06 -0.47 -0.19 0.00 -0.05 0.00 0.00 56.93 56.15 1r33 s PHE 245 Cb -0.15 0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.39 1r33 s PHE 245 CO 0.02 -0.70 0.64 -0.51 -0.05 0.00 0.00 175.22 174.62 1r33 s LEU 246 N -2.89 4.92 -0.40 -1.99 1.43 -0.01 -0.42 118.68 119.32 1r33 s LEU 246 Ca 0.09 -0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 52.07 1r33 s LEU 246 Cb 0.03 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.80 1r33 s LEU 246 CO -0.06 -0.91 0.82 0.86 0.23 0.00 0.00 176.35 177.28 1r33 s TRP 247 N 2.71 3.05 0.32 0.29 -0.11 -0.44 -1.66 118.94 123.10 1r33 s TRP 247 Ca 0.16 0.44 0.09 0.00 1.22 0.00 0.00 56.10 58.01 1r33 s TRP 247 Cb -0.19 -3.58 -0.05 0.00 -1.50 0.00 0.00 33.47 28.15 1r33 s TRP 247 CO 0.12 -0.87 0.07 -0.98 -4.62 0.00 0.00 176.95 170.68 1r33 s ARG 248 N 3.29 2.27 0.54 5.86 1.70 -0.18 -1.69 118.95 130.73 1r33 s ARG 248 Ca 0.32 -1.58 -0.20 0.00 -0.47 0.00 0.00 55.73 53.80 1r33 s ARG 248 Cb -0.12 -2.10 -0.05 0.00 -0.57 0.00 0.00 34.95 32.11 1r33 s ARG 248 CO 0.20 0.17 1.17 -0.65 -1.08 0.00 0.00 175.30 175.11 1r33 s GLN 249 N -3.77 3.32 0.61 3.89 -1.52 -1.26 -4.29 119.66 116.64 1r33 s GLN 249 Ca 0.35 1.72 0.33 0.00 -1.95 0.00 0.00 55.36 55.81 1r33 s GLN 249 Cb -0.03 -2.07 1.88 0.00 -0.22 0.00 0.00 33.01 32.58 1r33 s GLN 249 CO 0.21 -0.90 2.19 -0.84 -0.25 0.00 0.00 175.29 175.70 1r33 h ILE 250 N 1.25 0.34 -0.27 1.08 3.07 -1.94 -1.51 117.51 119.54 1r33 h ILE 250 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1r33 h ILE 250 Cb 1.27 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1r33 h ILE 250 CO 0.57 0.00 0.00 -2.67 -1.05 0.00 0.00 178.15 175.00 1r33 n TRP 251 N -3.58 0.33 -2.83 0.16 2.14 -1.26 -4.58 117.44 107.82 1r33 n TRP 251 Ca -0.01 -0.17 -0.43 0.00 2.07 0.00 0.00 57.50 58.96 1r33 n TRP 251 Cb 0.20 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.66 1r33 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1r33 s ASP 252 N -1.65 6.21 0.15 -0.67 2.15 -0.57 -4.69 116.67 117.60 1r33 s ASP 252 Ca 0.35 -1.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.22 1r33 s ASP 252 Cb 0.22 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 1r33 s ASP 252 CO 0.31 -1.46 1.43 -1.13 -0.17 0.00 0.00 175.17 174.15 1r33 h ASN 253 N 9.57 0.86 0.77 -0.34 -1.24 -1.88 -3.31 115.58 120.02 1r33 h ASN 253 Ca -0.25 -0.47 -0.25 0.00 0.71 0.00 0.00 56.30 56.05 1r33 h ASN 253 Cb 1.06 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.83 1r33 h ASN 253 CO 1.19 1.24 -1.28 0.50 -1.29 0.00 0.00 177.43 177.79 1r33 h LYS 254 N 0.59 0.03 0.00 6.67 3.64 -1.98 -3.44 116.57 122.09 1r33 h LYS 254 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1r33 h LYS 254 Cb 1.15 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1r33 h LYS 254 CO 0.12 0.86 0.00 0.41 -2.27 0.00 0.00 179.45 178.57 1r33 n GLY 255 N 1.45 0.89 0.19 5.01 0.00 -1.25 -4.97 105.19 106.52 1r33 n GLY 255 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1r33 n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r33 h ASP 256 N 0.00 0.00 0.25 1.61 3.45 -1.94 -1.60 116.42 118.19 1r33 h ASP 256 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1r33 h ASP 256 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1r33 h ASP 256 CO 0.00 0.00 -0.19 0.35 -1.57 0.00 0.00 179.24 177.83 1r33 n THR 257 N -2.51 0.00 -1.67 0.35 -2.24 -1.26 -4.97 114.28 101.99 1r33 n THR 257 Ca 0.00 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 1r33 n THR 257 Cb 0.17 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1r33 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r33 n ALA 258 N -0.67 0.95 -3.66 6.98 0.00 -0.60 -4.71 120.51 118.80 1r33 n ALA 258 Ca 0.14 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.77 1r33 n ALA 258 Cb 0.32 -2.24 -0.17 0.00 0.00 0.00 0.00 19.45 17.37 1r33 n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1r33 s LEU 259 N -0.12 1.21 0.16 0.00 2.96 -0.68 -4.90 118.68 117.31 1r33 s LEU 259 Ca 0.65 -0.12 -0.32 0.00 -0.22 0.00 0.00 54.13 54.12 1r33 s LEU 259 Cb -0.64 -0.45 -0.10 0.00 0.50 0.00 0.00 46.19 45.49 1r33 s LEU 259 CO 0.54 -0.08 1.66 0.12 -1.32 0.00 0.00 176.35 177.27 1r33 s PHE 260 N 1.10 2.81 -0.01 5.38 5.36 -1.25 -1.32 117.98 130.05 1r33 s PHE 260 Ca -0.08 0.41 0.05 0.00 -0.96 0.00 0.00 56.93 56.35 1r33 s PHE 260 Cb -0.14 -4.03 -0.01 0.00 -0.34 0.00 0.00 43.02 38.49 1r33 s PHE 260 CO -0.01 -3.96 -0.16 0.99 -1.46 0.00 0.00 175.22 170.62 1r33 s THR 261 N 1.54 1.29 -0.21 0.12 2.01 0.44 -0.97 115.64 119.86 1r33 s THR 261 Ca 0.73 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1r33 s THR 261 Cb -0.46 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1r33 s THR 261 CO 0.32 0.36 -0.13 -2.28 -0.69 0.00 0.00 174.62 172.21 1r33 s HIS 262 N -0.38 2.90 -0.24 4.92 2.46 0.23 -1.36 115.29 123.81 1r33 s HIS 262 Ca 0.06 -1.44 -0.12 0.00 0.47 0.00 0.00 55.06 54.04 1r33 s HIS 262 Cb -0.06 -2.00 -0.05 0.00 -0.13 0.00 0.00 32.58 30.34 1r33 s HIS 262 CO -0.01 -0.72 0.21 1.41 -2.47 0.00 0.00 174.74 173.17 1r33 s MET 263 N 1.35 4.08 0.58 2.88 1.75 0.16 -1.10 119.30 128.99 1r33 s MET 263 Ca 0.04 -0.18 -0.19 0.00 -1.25 0.00 0.00 55.69 54.11 1r33 s MET 263 Cb -0.14 -3.55 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 1r33 s MET 263 CO -0.08 0.01 1.16 -1.64 -0.65 0.00 0.00 175.02 173.82 1r33 s MET 264 N 1.21 3.13 0.24 4.11 -1.94 -0.48 -4.81 119.30 120.77 1r33 s MET 264 Ca 0.10 1.70 0.23 0.00 -1.71 0.00 0.00 55.69 56.00 1r33 s MET 264 Cb -0.14 -1.97 0.12 0.00 2.01 0.00 0.00 34.83 34.86 1r33 s MET 264 CO 0.06 -1.05 1.21 -1.00 -0.01 0.00 0.00 175.02 174.23 1r33 h PRO 265 N 0.97 0.00 0.00 2.03 0.13 -1.92 -3.46 132.00 129.75 1r33 h PRO 265 Ca -0.50 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.37 1r33 h PRO 265 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1r33 h PRO 265 CO 0.56 0.00 -0.11 1.19 -0.23 0.00 0.00 178.00 179.41 1r33 n PHE 266 N -2.70 -1.39 0.18 1.56 0.99 -1.26 -4.80 117.46 110.03 1r33 n PHE 266 Ca 0.01 -1.08 0.04 0.00 -0.00 0.00 0.00 57.45 56.41 1r33 n PHE 266 Cb 0.53 -0.22 0.32 0.00 -1.00 0.00 0.00 39.48 39.11 1r33 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1r33 h TYR 267 N 0.47 0.00 -4.12 1.38 3.20 -1.95 -3.46 116.97 112.49 1r33 h TYR 267 Ca -0.16 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.57 1r33 h TYR 267 Cb 0.60 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.73 1r33 h TYR 267 CO 0.00 0.42 -0.47 0.45 -1.64 0.00 0.00 178.16 176.93 1r33 s SER 268 N -6.64 0.17 0.00 -2.11 0.15 -1.26 -5.02 113.70 98.98 1r33 s SER 268 Ca -0.01 -1.01 0.22 0.00 0.70 0.00 0.00 55.95 55.85 1r33 s SER 268 Cb 0.12 0.37 0.57 0.00 -1.71 0.00 0.00 66.02 65.38 1r33 s SER 268 CO 0.71 -0.81 1.47 0.00 1.20 0.00 0.00 173.24 175.80 1r33 n TYR 269 N -0.15 0.32 -1.05 3.44 0.18 -1.26 -4.54 117.16 114.10 1r33 n TYR 269 Ca -0.07 -0.16 -0.29 0.00 1.88 0.00 0.00 57.90 59.26 1r33 n TYR 269 Cb 0.63 0.00 0.18 0.00 -0.38 0.00 0.00 39.34 39.78 1r33 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1r33 s ASP 270 N -1.57 2.46 0.20 9.48 1.47 -1.26 -4.62 116.67 122.84 1r33 s ASP 270 Ca 0.35 1.32 -0.10 0.00 1.18 0.00 0.00 52.55 55.29 1r33 s ASP 270 Cb 0.20 -2.00 0.14 0.00 -0.34 0.00 0.00 42.92 40.92 1r33 s ASP 270 CO 0.29 -3.25 1.85 0.40 0.68 0.00 0.00 175.17 175.14 1r33 h ILE 271 N -1.97 1.21 -0.14 2.11 2.04 -1.89 -1.85 117.51 117.02 1r33 h ILE 271 Ca -0.55 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 64.90 1r33 h ILE 271 Cb 1.32 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1r33 h ILE 271 CO 0.55 0.21 0.17 -0.65 0.00 0.00 0.00 178.15 178.44 1r33 h PRO 272 N 1.00 0.00 -0.33 2.37 0.11 -1.88 -2.08 132.00 131.19 1r33 h PRO 272 Ca 0.26 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.27 1r33 h PRO 272 Cb -0.04 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.01 1r33 h PRO 272 CO -0.05 0.00 -0.00 0.72 -0.21 0.00 0.00 178.00 178.46 1r33 n HIS 273 N -3.74 1.09 0.00 0.65 8.25 -0.72 -3.87 115.22 116.88 1r33 n HIS 273 Ca 0.01 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.23 1r33 n HIS 273 Cb 0.28 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1r33 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1r33 n THR 274 N -0.82 0.00 0.16 1.59 -2.24 -0.79 -4.62 114.28 107.56 1r33 n THR 274 Ca 0.28 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1r33 n THR 274 Cb 0.99 0.91 0.07 0.00 -2.10 0.00 0.00 70.33 70.20 1r33 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r33 n GLY 276 N 1.15 -1.52 0.30 0.00 0.00 -1.26 -3.49 105.19 100.37 1r33 n GLY 276 Ca 0.02 -1.09 0.19 0.00 0.00 0.00 0.00 46.02 45.14 1r33 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r33 h PRO 277 N 0.00 0.00 -4.43 1.61 0.13 -1.93 -3.42 132.00 123.96 1r33 h PRO 277 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 1r33 h PRO 277 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 1r33 h PRO 277 CO 0.00 0.00 -0.49 0.34 -0.23 0.00 0.00 178.00 177.62 1r33 s ASP 278 N -5.51 5.48 0.52 1.44 -1.08 -1.26 -3.35 116.67 112.90 1r33 s ASP 278 Ca -0.01 -1.80 0.22 0.00 -0.52 0.00 0.00 52.55 50.44 1r33 s ASP 278 Cb 0.10 -1.92 1.40 0.00 -1.46 0.00 0.00 42.92 41.04 1r33 s ASP 278 CO 0.50 -0.57 2.12 1.55 0.52 0.00 0.00 175.17 179.29 1r33 h PRO 279 N 8.27 0.00 -0.15 4.34 0.13 -1.79 -0.76 132.00 142.04 1r33 h PRO 279 Ca -0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.91 1r33 h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1r33 h PRO 279 CO 0.76 0.08 -0.08 -0.22 -0.23 0.00 0.00 178.00 178.31 1r33 h LYS 280 N 0.00 0.23 0.07 0.86 3.64 -1.92 -1.05 116.57 118.39 1r33 h LYS 280 Ca -0.00 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1r33 h LYS 280 Cb 0.16 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1r33 h LYS 280 CO 0.01 0.32 -0.94 0.28 -2.27 0.00 0.00 179.45 176.85 1r33 h VAL 281 N 0.22 1.28 -0.30 2.00 2.07 -1.57 -3.37 116.25 116.59 1r33 h VAL 281 Ca 0.05 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 1r33 h VAL 281 Cb 0.28 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1r33 h VAL 281 CO 0.01 0.61 0.14 0.00 0.02 0.00 0.00 177.57 178.36 1r33 n GLN 284 N -4.30 0.28 -0.32 0.00 6.02 -0.52 -2.24 117.38 116.29 1r33 n GLN 284 Ca -0.02 0.11 0.09 0.00 -0.01 0.00 0.00 57.00 57.16 1r33 n GLN 284 Cb 0.11 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.09 1r33 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1r33 n PHE 285 N -1.25 0.60 -3.59 1.08 3.72 0.38 -4.22 117.46 114.19 1r33 n PHE 285 Ca 0.09 -0.95 -0.40 0.00 -0.05 0.00 0.00 57.45 56.14 1r33 n PHE 285 Cb 0.13 -0.26 -0.08 0.00 -0.94 0.00 0.00 39.48 38.33 1r33 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1r33 s ASP 286 N -2.31 5.70 0.00 4.37 -1.08 -0.95 -4.95 116.67 117.46 1r33 s ASP 286 Ca 0.39 -2.39 0.17 0.00 -0.52 0.00 0.00 52.55 50.20 1r33 s ASP 286 Cb 0.32 -1.98 1.01 0.00 -1.46 0.00 0.00 42.92 40.81 1r33 s ASP 286 CO 0.06 -0.55 1.44 0.49 0.52 0.00 0.00 175.17 177.13 1r33 n PHE 287 N 4.23 0.00 1.73 -5.34 3.01 -1.26 -1.61 117.46 118.21 1r33 n PHE 287 Ca 0.02 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.63 1r33 n PHE 287 Cb 0.41 -0.03 0.74 0.00 -0.01 0.00 0.00 39.48 40.59 1r33 n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1r33 n LYS 288 N -1.03 1.24 -1.05 -1.08 4.81 -1.26 -4.18 118.16 115.60 1r33 n LYS 288 Ca 0.12 -0.42 -0.15 0.00 -0.87 0.00 0.00 58.31 57.00 1r33 n LYS 288 Cb 0.07 -1.49 0.21 0.00 0.02 0.00 0.00 35.03 33.83 1r33 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1r33 n ARG 289 N -0.52 2.34 0.00 1.64 1.74 -0.64 -4.49 116.66 116.74 1r33 n ARG 289 Ca 0.21 -3.07 0.13 0.00 -0.77 0.00 0.00 57.85 54.34 1r33 n ARG 289 Cb 0.23 -2.06 0.33 0.00 -1.02 0.00 0.00 32.46 29.93 1r33 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1r33 n MET 290 N -0.99 0.73 0.00 5.56 2.81 -1.26 -4.28 117.12 119.69 1r33 n MET 290 Ca 0.48 -0.45 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1r33 n MET 290 Cb 1.42 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.44 1r33 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r33 n GLY 291 N 1.37 3.43 0.33 3.03 0.00 -1.23 -4.99 105.19 107.13 1r33 n GLY 291 Ca 0.11 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.70 1r33 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r33 h SER 292 N 0.00 0.00 -0.16 1.61 4.64 -1.90 -0.46 113.55 117.29 1r33 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r33 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r33 h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1r33 n PHE 293 N -3.38 0.19 -1.15 4.77 3.01 -1.26 -4.94 117.46 114.69 1r33 n PHE 293 Ca -0.01 -0.09 -0.05 0.00 1.01 0.00 0.00 57.45 58.30 1r33 n PHE 293 Cb 0.22 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 1r33 n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r33 n GLY 294 N 1.26 0.77 3.47 1.37 0.00 -0.18 -5.04 105.19 106.84 1r33 n GLY 294 Ca 0.17 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1r33 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r33 s LEU 295 N -1.15 2.59 0.33 0.99 1.43 -1.26 -5.05 118.68 116.56 1r33 s LEU 295 Ca 0.00 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.18 1r33 s LEU 295 Cb 0.00 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.98 1r33 s LEU 295 CO 0.00 0.09 0.51 -0.94 0.23 0.00 0.00 176.35 176.24 1r33 s SER 296 N -2.98 0.60 -0.29 2.29 1.04 -1.26 -3.56 113.70 109.54 1r33 s SER 296 Ca 0.24 -1.34 -0.10 0.00 0.48 0.00 0.00 55.95 55.23 1r33 s SER 296 Cb -0.07 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1r33 s SER 296 CO 0.13 -1.31 0.17 0.00 0.98 0.00 0.00 173.24 173.21 1r33 h PRO 298 N 8.37 0.00 0.00 0.00 0.11 -1.97 -0.48 132.00 138.02 1r33 h PRO 298 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1r33 h PRO 298 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r33 h PRO 298 CO 0.58 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.28 1r33 n TRP 299 N -4.27 0.00 -1.14 0.65 8.01 -1.26 -4.90 117.44 114.53 1r33 n TRP 299 Ca 0.08 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.22 1r33 n TRP 299 Cb 0.54 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.82 1r33 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r33 n LYS 300 N -0.79 -0.93 -4.00 -0.99 5.02 -0.19 -4.99 118.16 111.29 1r33 n LYS 300 Ca 0.13 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.66 1r33 n LYS 300 Cb 0.06 -4.42 -0.16 0.00 -0.02 0.00 0.00 35.03 30.49 1r33 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r33 s VAL 301 N -1.89 1.63 0.64 -0.18 1.01 -1.26 -5.07 120.40 115.28 1r33 s VAL 301 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1r33 s VAL 301 Cb 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1r33 s VAL 301 CO 0.00 0.24 1.00 -2.16 0.00 0.00 0.00 175.10 174.18 1r33 s PRO 302 N 1.42 2.92 0.67 2.72 0.04 -1.26 -4.54 135.00 136.97 1r33 s PRO 302 Ca 0.00 0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.16 1r33 s PRO 302 Cb -0.15 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1r33 s PRO 302 CO -0.09 -0.85 1.07 -2.14 0.04 0.00 0.00 177.00 175.03 1r33 s PRO 303 N -5.17 2.93 -0.02 0.56 0.02 -1.26 -4.73 135.00 127.33 1r33 s PRO 303 Ca 0.56 1.10 0.04 0.00 0.02 0.00 0.00 61.00 62.71 1r33 s PRO 303 Cb -0.11 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1r33 s PRO 303 CO 0.49 -1.12 -0.12 1.03 -0.33 0.00 0.00 177.00 176.95 1r33 s ARG 304 N -4.65 1.06 0.26 5.54 0.52 -1.26 -4.78 118.95 115.64 1r33 s ARG 304 Ca 0.61 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 1r33 s ARG 304 Cb -0.16 -1.00 -0.13 0.00 0.52 0.00 0.00 34.95 34.18 1r33 s ARG 304 CO 0.49 0.23 1.33 2.41 0.02 0.00 0.00 175.30 179.77 1r33 n THR 305 N 2.94 1.27 -2.62 0.02 -1.04 -1.26 -4.92 114.28 108.67 1r33 n THR 305 Ca -0.15 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.13 1r33 n THR 305 Cb 0.55 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.61 1r33 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1r33 s ILE 306 N -0.39 4.32 0.30 12.58 -1.09 -1.26 -4.98 121.20 130.68 1r33 s ILE 306 Ca 0.65 1.86 0.03 0.00 -2.23 0.00 0.00 60.65 60.95 1r33 s ILE 306 Cb -0.65 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.00 1r33 s ILE 306 CO 0.54 0.25 0.12 -0.94 -1.23 0.00 0.00 174.94 173.68 1r33 s SER 307 N 0.28 1.58 0.50 3.58 1.04 -1.26 -4.99 113.70 114.42 1r33 s SER 307 Ca 0.50 -1.49 0.22 0.00 0.48 0.00 0.00 55.95 55.66 1r33 s SER 307 Cb -0.26 0.27 1.30 0.00 0.10 0.00 0.00 66.02 67.43 1r33 s SER 307 CO 0.31 -0.81 2.06 0.44 0.98 0.00 0.00 173.24 176.22 1r33 h ASP 308 N 2.23 0.00 1.55 7.02 3.32 -2.00 -0.90 116.42 127.64 1r33 h ASP 308 Ca -0.36 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1r33 h ASP 308 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1r33 h ASP 308 CO 0.57 0.14 -0.36 1.56 -1.72 0.00 0.00 179.24 179.43 1r33 h GLN 309 N 0.00 0.00 -0.00 3.56 7.50 -1.99 -3.36 115.11 120.81 1r33 h GLN 309 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1r33 h GLN 309 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1r33 h GLN 309 CO 0.02 0.36 -0.06 0.27 -1.50 0.00 0.00 178.83 177.92 1r33 n ASN 310 N -3.21 0.95 -0.17 1.46 0.23 -1.06 -4.73 115.26 108.72 1r33 n ASN 310 Ca 0.02 -0.98 0.01 0.00 -0.53 0.00 0.00 54.58 53.11 1r33 n ASN 310 Cb 0.66 0.34 0.28 0.00 -2.08 0.00 0.00 39.78 38.98 1r33 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1r33 h VAL 311 N 0.54 1.18 -0.25 3.53 3.04 -1.32 -0.31 116.25 122.67 1r33 h VAL 311 Ca 0.00 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 65.32 1r33 h VAL 311 Cb 0.14 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 1r33 h VAL 311 CO 0.00 0.17 -0.01 0.00 -1.01 0.00 0.00 177.57 176.73 1r33 h ALA 312 N 1.57 0.33 -0.65 3.17 0.00 -1.85 0.04 119.26 121.87 1r33 h ALA 312 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1r33 h ALA 312 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1r33 h ALA 312 CO -0.05 0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.35 1r33 h ALA 313 N 0.81 0.87 -0.46 0.00 0.00 -1.80 0.40 119.26 119.08 1r33 h ALA 313 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1r33 h ALA 313 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1r33 h ALA 313 CO 0.01 0.66 0.10 0.00 0.00 0.00 0.00 179.25 180.03 1r33 h ARG 314 N 1.02 0.74 -0.61 0.00 2.47 -1.01 -2.06 114.38 114.92 1r33 h ARG 314 Ca 0.20 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1r33 h ARG 314 Cb 0.48 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1r33 h ARG 314 CO 0.02 0.74 0.06 0.77 0.56 0.00 0.00 179.97 182.12 1r33 h SER 315 N 0.61 0.99 -0.25 7.04 0.02 -0.82 -0.72 113.55 120.41 1r33 h SER 315 Ca 0.14 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1r33 h SER 315 Cb 0.34 -0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1r33 h SER 315 CO 0.00 1.01 -0.21 0.44 -1.14 0.00 0.00 176.83 176.94 1r33 h ASP 316 N 0.96 -0.67 -0.19 3.07 3.45 -0.69 0.29 116.42 122.64 1r33 h ASP 316 Ca 0.18 0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.77 1r33 h ASP 316 Cb 0.47 0.33 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 1r33 h ASP 316 CO 0.02 -0.25 0.09 -0.07 -1.57 0.00 0.00 179.24 177.47 1r33 h LEU 317 N -0.20 0.25 -0.24 1.55 3.38 -0.98 -2.48 115.31 116.59 1r33 h LEU 317 Ca 0.14 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1r33 h LEU 317 Cb 0.42 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1r33 h LEU 317 CO -0.37 0.30 -0.05 0.25 0.09 0.00 0.00 178.44 178.66 1r33 h LEU 318 N 0.19 0.47 -1.44 1.67 5.85 -0.73 -2.50 115.31 118.81 1r33 h LEU 318 Ca 0.07 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1r33 h LEU 318 Cb 0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1r33 h LEU 318 CO -0.01 0.72 0.09 0.58 -0.34 0.00 0.00 178.44 179.48 1r33 h VAL 319 N 0.21 1.15 -0.52 1.05 2.07 -0.47 -0.58 116.25 119.16 1r33 h VAL 319 Ca 0.06 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1r33 h VAL 319 Cb 0.51 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1r33 h VAL 319 CO 0.02 0.18 0.04 -0.78 0.02 0.00 0.00 177.57 177.06 1r33 h ASP 320 N 0.45 0.86 -0.44 0.57 1.82 -1.23 0.98 116.42 119.44 1r33 h ASP 320 Ca 0.11 -0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 1r33 h ASP 320 Cb 0.16 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 1r33 h ASP 320 CO -0.01 0.93 0.26 1.56 -1.61 0.00 0.00 179.24 180.37 1r33 h GLN 321 N 0.77 0.60 -0.57 0.28 1.08 -0.89 -1.57 115.11 114.81 1r33 h GLN 321 Ca 0.15 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1r33 h GLN 321 Cb 0.46 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1r33 h GLN 321 CO 0.02 0.46 0.35 -1.49 -0.95 0.00 0.00 178.83 177.22 1r33 h TRP 322 N 0.58 0.66 -0.05 2.96 6.55 -0.65 -0.66 115.95 125.34 1r33 h TRP 322 Ca 0.16 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.94 1r33 h TRP 322 Cb 0.02 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.09 1r33 h TRP 322 CO -0.03 0.38 -0.33 0.87 -1.05 0.00 0.00 178.44 178.29 1r33 h LYS 323 N 0.70 0.10 -0.14 0.49 1.57 -0.63 0.57 116.57 119.23 1r33 h LYS 323 Ca 0.23 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1r33 h LYS 323 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r33 h LYS 323 CO -0.09 0.42 -0.20 0.87 -0.57 0.00 0.00 179.45 179.88 1r33 h LYS 324 N 0.09 0.39 -0.75 3.15 1.57 -0.78 -2.70 116.57 117.53 1r33 h LYS 324 Ca 0.01 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1r33 h LYS 324 Cb 0.63 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1r33 h LYS 324 CO 0.05 0.80 0.46 -0.22 -0.57 0.00 0.00 179.45 179.97 1r33 h LYS 325 N -0.00 0.86 -0.03 3.15 3.64 -0.81 -1.85 116.57 121.52 1r33 h LYS 325 Ca 0.02 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1r33 h LYS 325 Cb 0.76 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1r33 h LYS 325 CO 0.05 0.57 0.04 0.00 -2.27 0.00 0.00 179.45 177.83 1r33 h ALA 326 N 1.34 1.50 0.00 5.00 0.00 -0.78 -1.19 119.26 125.13 1r33 h ALA 326 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1r33 h ALA 326 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r33 h ALA 326 CO -0.14 -0.05 0.00 0.93 0.00 0.00 0.00 179.25 179.99 1r33 h GLU 327 N 0.00 0.00 -0.00 0.00 4.39 -1.00 -2.66 114.58 115.31 1r33 h GLU 327 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1r33 h GLU 327 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1r33 h GLU 327 CO -0.00 0.00 -0.16 1.28 -1.16 0.00 0.00 179.01 178.97 1r33 n LEU 328 N -2.83 0.48 -4.54 1.33 4.77 -0.45 -4.91 117.00 110.85 1r33 n LEU 328 Ca 0.00 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1r33 n LEU 328 Cb 0.22 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1r33 n LEU 328 CO 0.23 0.09 -0.29 -0.31 -1.33 0.00 0.00 177.39 175.78 1r33 s TYR 329 N -2.61 2.28 -0.21 -1.77 1.51 -1.00 -4.43 117.35 111.11 1r33 s TYR 329 Ca 0.24 -0.76 0.22 0.00 -1.01 0.00 0.00 57.07 55.76 1r33 s TYR 329 Cb 0.19 -1.53 -0.14 0.00 -0.11 0.00 0.00 41.96 40.37 1r33 s TYR 329 CO 0.52 0.29 0.80 0.54 -1.11 0.00 0.00 175.55 176.58 1r33 n ARG 330 N -0.83 0.58 -3.65 -0.62 1.74 -1.26 -4.98 116.66 107.63 1r33 n ARG 330 Ca -0.04 -0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.76 1r33 n ARG 330 Cb 0.66 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1r33 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1r33 s THR 331 N -3.40 1.79 -0.37 0.55 -4.23 -1.26 -4.73 115.64 103.98 1r33 s THR 331 Ca -0.03 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 1r33 s THR 331 Cb 0.12 -2.14 0.61 0.00 1.34 0.00 0.00 72.50 72.43 1r33 s THR 331 CO 0.84 0.00 1.68 -0.46 -0.54 0.00 0.00 174.62 176.15 1r33 n ASN 332 N -1.90 4.16 -4.16 3.99 6.94 -1.26 -4.83 115.26 118.19 1r33 n ASN 332 Ca 0.03 -3.13 -0.33 0.00 -0.02 0.00 0.00 54.58 51.14 1r33 n ASN 332 Cb 0.64 -0.74 -0.16 0.00 -2.36 0.00 0.00 39.78 37.16 1r33 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1r33 s VAL 333 N -2.65 2.20 -0.11 3.53 1.01 -1.26 -0.36 120.40 122.76 1r33 s VAL 333 Ca 0.47 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1r33 s VAL 333 Cb 0.38 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1r33 s VAL 333 CO 0.11 0.53 -0.15 -0.22 0.00 0.00 0.00 175.10 175.37 1r33 s LEU 334 N 1.11 2.60 -0.20 3.92 2.96 0.13 -4.96 118.68 124.24 1r33 s LEU 334 Ca 0.00 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.43 1r33 s LEU 334 Cb -0.14 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1r33 s LEU 334 CO -0.08 0.20 0.32 -0.22 -1.32 0.00 0.00 176.35 175.25 1r33 s LEU 335 N 0.13 4.16 -0.43 -0.68 2.96 -1.26 -0.96 118.68 122.61 1r33 s LEU 335 Ca -0.08 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1r33 s LEU 335 Cb -0.15 -2.39 0.13 0.00 0.50 0.00 0.00 46.19 44.28 1r33 s LEU 335 CO 0.05 -0.01 0.21 -0.63 -1.32 0.00 0.00 176.35 174.65 1r33 s ILE 336 N 1.07 1.59 0.52 6.68 -1.09 -0.22 -4.97 121.20 124.78 1r33 s ILE 336 Ca 0.16 -2.50 -0.22 0.00 -2.23 0.00 0.00 60.65 55.86 1r33 s ILE 336 Cb -0.14 -2.13 -0.06 0.00 -1.58 0.00 0.00 42.46 38.55 1r33 s ILE 336 CO 0.06 -0.82 1.29 -2.84 -1.23 0.00 0.00 174.94 171.40 1r33 s PRO 337 N 0.47 3.35 -0.37 2.79 0.02 -1.26 -0.85 135.00 139.15 1r33 s PRO 337 Ca 0.16 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1r33 s PRO 337 Cb -0.23 -2.31 0.13 0.00 0.02 0.00 0.00 34.50 32.10 1r33 s PRO 337 CO -0.04 -0.97 0.19 -1.17 -0.33 0.00 0.00 177.00 174.68 1r33 s LEU 338 N -3.35 2.03 0.00 -5.54 2.96 0.33 -4.76 118.68 110.34 1r33 s LEU 338 Ca 0.69 -2.18 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 1r33 s LEU 338 Cb -0.36 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1r33 s LEU 338 CO 0.43 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1r33 n GLY 339 N 4.11 -1.22 0.00 7.98 0.00 -1.26 -1.44 105.19 113.36 1r33 n GLY 339 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1r33 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r33 n ASP 340 N 0.21 0.00 -4.71 1.61 -0.08 -1.25 -3.39 116.55 108.94 1r33 n ASP 340 Ca 0.00 -0.73 -0.42 0.00 -1.51 0.00 0.00 54.79 52.13 1r33 n ASP 340 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1r33 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1r33 s ASP 341 N -0.20 6.76 -1.72 1.67 1.11 -1.26 -1.61 116.67 121.42 1r33 s ASP 341 Ca 0.00 2.38 -0.18 0.00 0.18 0.00 0.00 52.55 54.93 1r33 s ASP 341 Cb 0.00 -2.58 0.16 0.00 1.07 0.00 0.00 42.92 41.57 1r33 s ASP 341 CO 0.00 -0.71 0.73 0.49 1.18 0.00 0.00 175.17 176.86 1r33 n PHE 342 N 4.15 -1.64 -2.01 4.23 3.01 0.72 -4.82 117.46 121.11 1r33 n PHE 342 Ca 0.12 0.78 -0.28 0.00 1.01 0.00 0.00 57.45 59.08 1r33 n PHE 342 Cb 0.41 -2.80 0.07 0.00 -0.01 0.00 0.00 39.48 37.16 1r33 n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1r33 s ARG 343 N -6.98 2.21 -0.99 -1.08 1.81 -1.17 -4.44 118.95 108.31 1r33 s ARG 343 Ca 0.71 0.05 -0.04 0.00 -1.72 0.00 0.00 55.73 54.73 1r33 s ARG 343 Cb -0.39 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.07 1r33 s ARG 343 CO 0.94 -1.37 0.85 1.19 -0.68 0.00 0.00 175.30 176.24 1r33 n PHE 344 N -3.12 -2.00 -0.10 -0.53 3.01 -1.26 -4.74 117.46 108.71 1r33 n PHE 344 Ca 0.08 0.75 -0.21 0.00 1.01 0.00 0.00 57.45 59.08 1r33 n PHE 344 Cb 0.60 -4.19 -0.12 0.00 -0.01 0.00 0.00 39.48 35.76 1r33 n PHE 344 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1r33 h LYS 345 N -1.83 0.00 -6.17 -1.08 3.64 -1.89 -3.40 116.57 105.84 1r33 h LYS 345 Ca -0.44 -0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.36 1r33 h LYS 345 Cb 1.27 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.06 1r33 h LYS 345 CO 0.41 1.00 -0.26 -0.65 -2.27 0.00 0.00 179.45 177.68 1r33 s GLN 346 N -2.35 3.70 0.25 1.90 -0.21 -1.26 -4.24 119.66 117.45 1r33 s GLN 346 Ca -0.28 0.07 -0.03 0.00 0.02 0.00 0.00 55.36 55.14 1r33 s GLN 346 Cb 0.05 -2.89 0.40 0.00 1.00 0.00 0.00 33.01 31.58 1r33 s GLN 346 CO 0.60 0.49 1.84 -0.91 -2.12 0.00 0.00 175.29 175.19 1r33 h ASN 347 N 3.19 0.84 -0.07 5.90 4.21 -1.95 -1.20 115.58 126.49 1r33 h ASN 347 Ca -0.47 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.05 1r33 h ASN 347 Cb 1.18 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.23 1r33 h ASN 347 CO 0.69 0.50 0.02 0.71 -1.29 0.00 0.00 177.43 178.06 1r33 h THR 348 N 0.95 1.07 -0.22 2.81 1.35 -1.99 -1.46 112.91 115.42 1r33 h THR 348 Ca 0.41 -0.26 -0.14 0.00 -0.55 0.00 0.00 66.41 65.87 1r33 h THR 348 Cb 0.29 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1r33 h THR 348 CO -0.21 0.09 -0.43 -0.08 -0.25 0.00 0.00 175.52 174.64 1r33 h GLU 349 N 0.17 0.67 -0.25 4.72 4.81 -1.64 -0.68 114.58 122.38 1r33 h GLU 349 Ca 0.04 -0.44 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1r33 h GLU 349 Cb 0.09 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1r33 h GLU 349 CO -0.00 1.05 0.09 -1.49 -0.73 0.00 0.00 179.01 177.94 1r33 h TRP 350 N 0.38 0.16 -0.32 0.92 4.06 -0.85 -1.78 115.95 118.53 1r33 h TRP 350 Ca 0.01 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1r33 h TRP 350 Cb 1.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 1r33 h TRP 350 CO 0.09 0.08 0.18 -0.44 -3.56 0.00 0.00 178.44 174.78 1r33 h ASP 351 N 0.21 0.39 -0.37 -3.49 3.32 -1.22 -1.07 116.42 114.19 1r33 h ASP 351 Ca 0.11 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1r33 h ASP 351 Cb 0.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1r33 h ASP 351 CO -0.11 0.35 -0.01 1.62 -1.72 0.00 0.00 179.24 179.37 1r33 h VAL 352 N 0.39 1.24 0.03 -1.35 3.04 -0.89 -0.13 116.25 118.59 1r33 h VAL 352 Ca 0.11 -0.99 -0.00 0.00 -1.01 0.00 0.00 66.70 64.81 1r33 h VAL 352 Cb 0.04 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1r33 h VAL 352 CO -0.02 0.35 -0.01 1.56 -1.01 0.00 0.00 177.57 178.44 1r33 h GLN 353 N 0.71 -0.04 -0.04 4.17 1.08 -1.26 -3.17 115.11 116.56 1r33 h GLN 353 Ca 0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1r33 h GLN 353 Cb 0.45 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1r33 h GLN 353 CO 0.02 0.58 0.03 -0.09 -0.95 0.00 0.00 178.83 178.41 1r33 h ARG 354 N -0.69 0.06 -0.28 1.46 2.43 -1.08 -1.67 114.38 114.60 1r33 h ARG 354 Ca -0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1r33 h ARG 354 Cb 0.63 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1r33 h ARG 354 CO 0.01 0.07 0.13 0.28 -1.51 0.00 0.00 179.97 178.94 1r33 h VAL 355 N 0.03 1.16 -0.61 0.20 2.07 -1.17 0.18 116.25 118.11 1r33 h VAL 355 Ca 0.02 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1r33 h VAL 355 Cb 0.03 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1r33 h VAL 355 CO -0.00 0.16 0.23 0.78 0.02 0.00 0.00 177.57 178.76 1r33 h ASN 356 N 0.32 0.85 -0.10 0.57 2.35 -1.57 -1.47 115.58 116.53 1r33 h ASN 356 Ca 0.10 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1r33 h ASN 356 Cb 0.14 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1r33 h ASN 356 CO -0.01 0.80 -0.29 1.88 -1.65 0.00 0.00 177.43 178.16 1r33 h TYR 357 N 0.85 0.65 -0.75 1.19 -1.99 -1.01 -2.09 116.97 113.83 1r33 h TYR 357 Ca 0.20 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1r33 h TYR 357 Cb 0.22 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 1r33 h TYR 357 CO 0.01 0.80 0.35 0.93 -0.00 0.00 0.00 178.16 180.25 1r33 h GLU 358 N 0.49 1.08 -0.79 4.88 5.08 -0.30 -0.12 114.58 124.89 1r33 h GLU 358 Ca 0.06 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1r33 h GLU 358 Cb 0.76 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1r33 h GLU 358 CO 0.06 0.84 0.34 0.00 -1.00 0.00 0.00 179.01 179.25 1r33 h ARG 359 N 1.07 1.17 -0.40 2.33 3.08 -0.85 -0.26 114.38 120.51 1r33 h ARG 359 Ca 0.26 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1r33 h ARG 359 Cb 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1r33 h ARG 359 CO -0.03 0.93 0.03 -0.07 -1.07 0.00 0.00 179.97 179.76 1r33 h LEU 360 N 1.15 0.66 -0.45 3.04 3.38 -0.79 -2.28 115.31 120.03 1r33 h LEU 360 Ca 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1r33 h LEU 360 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1r33 h LEU 360 CO -0.03 0.78 0.15 -0.26 0.09 0.00 0.00 178.44 179.18 1r33 h PHE 361 N 0.52 0.71 -0.74 1.13 0.05 -0.78 -0.32 116.94 117.51 1r33 h PHE 361 Ca 0.12 -0.06 0.01 0.00 3.82 0.00 0.00 57.97 61.86 1r33 h PHE 361 Cb 0.42 -0.21 -0.04 0.00 2.00 0.00 0.00 35.95 38.13 1r33 h PHE 361 CO 0.03 0.62 0.48 1.49 -0.18 0.00 0.00 178.31 180.76 1r33 h GLU 362 N 0.58 0.94 0.42 1.51 4.81 -0.94 -0.62 114.58 121.28 1r33 h GLU 362 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1r33 h GLU 362 Cb 0.24 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1r33 h GLU 362 CO -0.01 0.62 -0.20 1.25 -0.73 0.00 0.00 179.01 179.95 1r33 h HIS 363 N 0.97 -0.52 -0.62 0.92 2.76 -1.25 -3.08 115.15 114.33 1r33 h HIS 363 Ca 0.28 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.52 1r33 h HIS 363 Cb -0.08 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 28.99 1r33 h HIS 363 CO -0.03 -0.20 0.27 0.82 -1.30 0.00 0.00 177.93 177.50 1r33 h ILE 364 N -0.87 0.83 0.00 6.26 2.04 -0.93 -1.63 117.51 123.21 1r33 h ILE 364 Ca -0.06 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1r33 h ILE 364 Cb 0.56 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1r33 h ILE 364 CO 0.09 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1r33 n ASN 365 N -4.93 0.64 -0.27 1.72 3.02 -0.25 -2.59 115.26 112.59 1r33 n ASN 365 Ca 0.09 0.63 0.09 0.00 -0.03 0.00 0.00 54.58 55.36 1r33 n ASN 365 Cb 0.24 -0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 38.59 1r33 n ASN 365 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1r33 n SER 366 N -2.18 1.49 -4.33 6.41 3.41 -0.68 -4.75 113.62 112.99 1r33 n SER 366 Ca 0.03 -1.25 -0.46 0.00 -0.26 0.00 0.00 58.87 56.93 1r33 n SER 366 Cb 0.27 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 64.87 1r33 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1r33 s GLN 367 N -2.45 3.43 0.41 4.33 -1.52 -0.83 -4.94 119.66 118.08 1r33 s GLN 367 Ca 0.13 -2.19 0.19 0.00 -1.95 0.00 0.00 55.36 51.54 1r33 s GLN 367 Cb 0.15 -4.42 1.12 0.00 -0.22 0.00 0.00 33.01 29.64 1r33 s GLN 367 CO 0.61 -1.34 1.79 0.00 -0.25 0.00 0.00 175.29 176.09 1r33 h ALA 368 N 8.18 2.26 -0.05 6.09 0.00 -1.85 -1.86 119.26 132.02 1r33 h ALA 368 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1r33 h ALA 368 Cb 1.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r33 h ALA 368 CO 0.86 -0.64 0.18 1.12 0.00 0.00 0.00 179.25 180.77 1r33 h HIS 369 N 0.38 0.00 0.00 0.00 2.07 -1.93 0.52 115.15 116.20 1r33 h HIS 369 Ca 0.57 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.91 1r33 h HIS 369 Cb 1.48 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.43 1r33 h HIS 369 CO -0.00 0.00 -0.89 0.74 -3.07 0.00 0.00 177.93 174.70 1r33 h PHE 370 N 0.00 0.00 -6.27 6.12 0.05 -1.64 -3.48 116.94 111.72 1r33 h PHE 370 Ca 0.03 0.00 -0.46 0.00 3.82 0.00 0.00 57.97 61.35 1r33 h PHE 370 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 1r33 h PHE 370 CO 0.00 0.88 -0.82 0.09 -0.18 0.00 0.00 178.31 178.28 1r33 n ASN 371 N -3.31 -2.32 -4.14 2.17 3.02 0.17 -4.87 115.26 105.98 1r33 n ASN 371 Ca 0.00 -0.85 -0.22 0.00 -0.03 0.00 0.00 54.58 53.48 1r33 n ASN 371 Cb 0.89 -3.74 -0.14 0.00 -0.61 0.00 0.00 39.78 36.18 1r33 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r33 s VAL 372 N -3.58 1.19 -0.24 2.41 1.01 -1.26 -1.11 120.40 118.83 1r33 s VAL 372 Ca 0.26 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1r33 s VAL 372 Cb -0.13 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.28 1r33 s VAL 372 CO 0.84 0.22 -0.08 -1.58 0.00 0.00 0.00 175.10 174.51 1r33 s GLN 373 N -0.65 1.86 0.03 2.72 2.00 -0.46 -4.31 119.66 120.85 1r33 s GLN 373 Ca 0.05 -1.09 0.05 0.00 -2.00 0.00 0.00 55.36 52.37 1r33 s GLN 373 Cb -0.07 -2.67 -0.03 0.00 0.80 0.00 0.00 33.01 31.04 1r33 s GLN 373 CO 0.00 -0.57 -0.10 0.00 -0.50 0.00 0.00 175.29 174.12 1r33 s ALA 374 N 1.30 2.90 0.11 1.58 0.00 -1.26 -0.81 121.76 125.58 1r33 s ALA 374 Ca -0.06 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.54 1r33 s ALA 374 Cb -0.19 -0.99 0.07 0.00 0.00 0.00 0.00 23.12 22.01 1r33 s ALA 374 CO -0.06 0.61 0.84 1.14 0.00 0.00 0.00 175.76 178.29 1r33 s GLN 375 N -1.56 1.15 0.45 0.00 0.00 -0.50 -4.90 119.66 114.30 1r33 s GLN 375 Ca 0.17 -0.54 -0.23 0.00 -0.00 0.00 0.00 55.36 54.77 1r33 s GLN 375 Cb -0.11 0.45 -0.08 0.00 0.00 0.00 0.00 33.01 33.28 1r33 s GLN 375 CO 0.08 -0.52 1.12 -0.06 0.00 0.00 0.00 175.29 175.91 1r33 s PHE 376 N -3.38 2.98 0.34 9.60 2.99 -1.26 -0.87 117.98 128.38 1r33 s PHE 376 Ca 0.08 1.57 -0.13 0.00 0.00 0.00 0.00 56.93 58.44 1r33 s PHE 376 Cb -0.02 -3.27 0.03 0.00 0.00 0.00 0.00 43.02 39.76 1r33 s PHE 376 CO -0.04 -1.20 0.66 0.20 -0.00 0.00 0.00 175.22 174.84 1r33 s GLY 377 N -1.50 0.57 0.44 4.36 0.00 -0.20 -4.77 107.32 106.22 1r33 s GLY 377 Ca 0.63 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 44.56 1r33 s GLY 377 CO 0.31 -0.47 0.38 -0.51 0.00 0.00 0.00 173.10 172.80 1r33 s THR 378 N -3.01 2.44 0.17 0.90 -4.23 -1.26 -4.18 115.64 106.48 1r33 s THR 378 Ca 0.19 -1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 59.19 1r33 s THR 378 Cb -0.04 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.04 1r33 s THR 378 CO 0.12 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.19 1r33 h LEU 379 N 0.99 0.79 -1.10 4.79 5.85 -1.95 -2.54 115.31 122.13 1r33 h LEU 379 Ca -0.40 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1r33 h LEU 379 Cb 1.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1r33 h LEU 379 CO 0.58 0.73 0.22 -0.61 -0.34 0.00 0.00 178.44 179.02 1r33 h GLN 380 N 0.80 0.85 -0.75 1.25 5.75 -1.96 -1.93 115.11 119.12 1r33 h GLN 380 Ca 0.20 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1r33 h GLN 380 Cb 0.18 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 1r33 h GLN 380 CO -0.02 0.71 0.46 0.93 -2.65 0.00 0.00 178.83 178.26 1r33 h GLU 381 N 0.84 1.01 0.29 1.69 5.08 -1.89 0.77 114.58 122.38 1r33 h GLU 381 Ca 0.20 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1r33 h GLU 381 Cb 0.19 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1r33 h GLU 381 CO -0.02 0.71 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.61 1r33 h TYR 382 N 1.02 -0.45 -0.68 4.33 3.20 -1.00 -2.34 116.97 121.05 1r33 h TYR 382 Ca 0.27 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 1r33 h TYR 382 Cb -0.05 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1r33 h TYR 382 CO -0.01 -0.27 0.22 0.74 -1.64 0.00 0.00 178.16 177.20 1r33 h PHE 383 N -0.45 1.06 -0.84 -3.82 0.05 -1.08 -0.69 116.94 111.18 1r33 h PHE 383 Ca -0.03 -0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.67 1r33 h PHE 383 Cb 0.37 -0.31 -0.04 0.00 2.00 0.00 0.00 35.95 37.96 1r33 h PHE 383 CO -0.08 0.83 0.53 -0.44 -0.18 0.00 0.00 178.31 178.97 1r33 h ASP 384 N 1.00 0.98 -0.40 2.17 3.32 -0.79 -0.53 116.42 122.18 1r33 h ASP 384 Ca 0.22 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1r33 h ASP 384 Cb 0.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1r33 h ASP 384 CO -0.01 0.73 -0.33 0.00 -1.72 0.00 0.00 179.24 177.91 1r33 h ALA 385 N 1.29 0.58 -0.41 3.45 0.00 -0.91 -0.67 119.26 122.59 1r33 h ALA 385 Ca 0.30 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1r33 h ALA 385 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1r33 h ALA 385 CO -0.06 0.65 0.19 0.28 0.00 0.00 0.00 179.25 180.31 1r33 h VAL 386 N 0.76 0.96 0.00 0.00 2.07 -0.75 -1.20 116.25 118.09 1r33 h VAL 386 Ca 0.07 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1r33 h VAL 386 Cb 0.92 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1r33 h VAL 386 CO 0.09 0.07 -0.32 0.45 0.02 0.00 0.00 177.57 177.88 1r33 h HIS 387 N 0.39 0.00 -0.55 1.57 -0.00 -0.87 -0.93 115.15 114.76 1r33 h HIS 387 Ca 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.44 1r33 h HIS 387 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1r33 h HIS 387 CO -0.11 0.32 -0.08 1.96 -0.00 0.00 0.00 177.93 180.02 1r33 h GLN 388 N 0.00 1.02 -0.48 2.45 4.20 -0.61 -0.05 115.11 121.65 1r33 h GLN 388 Ca -0.00 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.28 1r33 h GLN 388 Cb 0.77 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1r33 h GLN 388 CO 0.04 1.05 0.05 0.00 -0.67 0.00 0.00 178.83 179.30 1r33 h ALA 389 N 0.98 0.64 -0.21 3.87 0.00 -0.58 -1.50 119.26 122.46 1r33 h ALA 389 Ca 0.15 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1r33 h ALA 389 Cb 0.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1r33 h ALA 389 CO 0.04 0.40 0.05 1.49 0.00 0.00 0.00 179.25 181.24 1r33 h GLU 390 N 0.68 0.14 0.00 0.00 4.81 -0.98 -1.14 114.58 118.09 1r33 h GLU 390 Ca 0.14 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1r33 h GLU 390 Cb 0.44 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1r33 h GLU 390 CO 0.02 0.09 -0.19 0.00 -0.73 0.00 0.00 179.01 178.20 1r33 h ARG 391 N 0.14 0.00 0.00 1.92 3.08 -0.82 -0.19 114.38 118.52 1r33 h ARG 391 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1r33 h ARG 391 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1r33 h ARG 391 CO -0.11 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.98 1r33 n ALA 392 N -2.40 2.49 -1.24 0.04 0.00 -0.58 -4.83 120.51 113.99 1r33 n ALA 392 Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1r33 n ALA 392 Cb 0.27 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1r33 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r33 n GLY 393 N 0.59 0.62 0.19 0.00 0.00 -0.08 -4.94 105.19 101.57 1r33 n GLY 393 Ca 0.09 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.34 1r33 n GLY 393 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1r33 h GLN 394 N 0.00 0.00 -2.48 1.61 4.15 -1.34 -3.47 115.11 113.57 1r33 h GLN 394 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1r33 h GLN 394 Cb 0.36 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 27.89 1r33 h GLN 394 CO 0.12 0.04 0.23 0.00 -1.93 0.00 0.00 178.83 177.28 1r33 s ALA 395 N -3.22 -1.70 -0.01 3.38 0.00 -1.26 -4.87 121.76 114.09 1r33 s ALA 395 Ca 0.05 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.98 1r33 s ALA 395 Cb 0.06 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1r33 s ALA 395 CO 0.70 -0.58 -0.18 -1.83 0.00 0.00 0.00 175.76 173.88 1r33 s GLU 396 N -2.52 1.40 0.03 0.00 -1.05 -1.26 -4.66 118.70 110.63 1r33 s GLU 396 Ca -0.04 -0.66 0.01 0.00 -0.15 0.00 0.00 54.97 54.14 1r33 s GLU 396 Cb -0.01 -1.37 -0.04 0.00 -0.44 0.00 0.00 34.13 32.28 1r33 s GLU 396 CO -0.02 0.37 0.05 -0.06 0.95 0.00 0.00 175.26 176.55 1r33 s PHE 397 N -0.46 3.17 0.72 4.83 0.40 -1.26 -5.08 117.98 120.30 1r33 s PHE 397 Ca 0.07 0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 1r33 s PHE 397 Cb -0.07 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1r33 s PHE 397 CO -0.00 0.51 1.07 -1.25 0.70 0.00 0.00 175.22 176.24 1r33 s PRO 398 N -1.89 2.76 0.09 0.24 0.04 -1.26 -4.78 135.00 130.20 1r33 s PRO 398 Ca 0.24 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1r33 s PRO 398 Cb -0.12 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1r33 s PRO 398 CO 0.15 -1.24 0.21 0.95 0.04 0.00 0.00 177.00 177.11 1r33 s THR 399 N -3.01 5.26 -0.08 1.26 -4.23 -1.26 -0.83 115.64 112.75 1r33 s THR 399 Ca 0.59 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 1r33 s THR 399 Cb -0.15 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1r33 s THR 399 CO 0.55 0.07 0.35 -0.22 -0.54 0.00 0.00 174.62 174.83 1r33 s LEU 400 N -2.71 0.68 0.07 4.79 0.20 -0.66 -1.49 118.68 119.56 1r33 s LEU 400 Ca 0.34 0.42 0.00 0.00 0.69 0.00 0.00 54.13 55.59 1r33 s LEU 400 Cb -0.12 1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 46.90 1r33 s LEU 400 CO 0.27 -0.30 -0.05 -0.94 -0.29 0.00 0.00 176.35 175.05 1r33 s SER 401 N -0.58 0.75 0.00 3.68 1.04 -0.58 -1.01 113.70 116.99 1r33 s SER 401 Ca -0.07 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1r33 s SER 401 Cb -0.04 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1r33 s SER 401 CO 0.03 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1r33 n GLY 402 N 0.29 0.46 3.41 7.32 0.00 -1.26 -1.50 105.19 113.90 1r33 n GLY 402 Ca -0.15 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.39 1r33 n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r33 n ASP 403 N 0.76 2.01 -2.68 1.61 5.75 -1.26 -4.39 116.55 118.35 1r33 n ASP 403 Ca 0.00 -3.16 -0.21 0.00 -0.01 0.00 0.00 54.79 51.41 1r33 n ASP 403 Cb 0.00 0.78 -0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1r33 n ASP 403 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1r33 n PHE 404 N -1.03 2.55 -4.42 2.11 3.01 -0.21 -4.91 117.46 114.57 1r33 n PHE 404 Ca -0.11 -3.25 -0.25 0.00 1.01 0.00 0.00 57.45 54.84 1r33 n PHE 404 Cb 0.61 -0.27 -0.13 0.00 -0.01 0.00 0.00 39.48 39.68 1r33 n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1r33 s PHE 405 N -3.29 1.88 -0.17 1.38 0.40 -1.26 -2.56 117.98 114.36 1r33 s PHE 405 Ca 0.41 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 1r33 s PHE 405 Cb 0.39 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 1r33 s PHE 405 CO -0.11 0.19 0.20 0.99 0.70 0.00 0.00 175.22 177.19 1r33 s THR 406 N -1.04 5.38 0.40 0.64 2.01 -1.26 -5.09 115.64 116.67 1r33 s THR 406 Ca 0.08 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 1r33 s THR 406 Cb -0.10 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1r33 s THR 406 CO 0.04 0.46 1.29 -0.47 -0.69 0.00 0.00 174.62 175.25 1r33 s TYR 407 N 0.12 2.86 -0.03 4.92 5.04 -1.26 -4.79 117.35 124.21 1r33 s TYR 407 Ca 0.12 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1r33 s TYR 407 Cb -0.12 -3.65 0.03 0.00 0.35 0.00 0.00 41.96 38.57 1r33 s TYR 407 CO 0.01 -2.01 0.00 0.00 -1.34 0.00 0.00 175.55 172.22 1r33 s ALA 408 N -1.26 0.35 -0.43 3.97 0.00 -1.26 -0.33 121.76 122.80 1r33 s ALA 408 Ca 0.56 0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.89 1r33 s ALA 408 Cb -0.38 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.46 1r33 s ALA 408 CO 0.49 -0.10 1.06 -0.40 0.00 0.00 0.00 175.76 176.80 1r33 n ASP 409 N 4.23 0.68 -3.58 0.00 5.75 -1.23 -2.68 116.55 119.72 1r33 n ASP 409 Ca -0.25 0.09 -0.08 0.00 -0.01 0.00 0.00 54.79 54.55 1r33 n ASP 409 Cb 0.50 0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 41.16 1r33 n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r33 s ARG 410 N -3.28 0.48 0.00 0.11 1.70 -1.26 -4.78 118.95 111.92 1r33 s ARG 410 Ca 0.02 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 1r33 s ARG 410 Cb 0.12 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1r33 s ARG 410 CO 0.79 -0.17 0.00 -1.13 -1.08 0.00 0.00 175.30 173.70 1r33 n SER 411 N 0.41 0.00 -1.56 -2.89 3.41 -1.26 -1.07 113.62 110.66 1r33 n SER 411 Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.60 1r33 n SER 411 Cb 0.59 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.88 1r33 n SER 411 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1r33 n ASP 412 N 1.53 4.91 -4.51 4.04 5.75 -1.26 -4.88 116.55 122.14 1r33 n ASP 412 Ca 0.00 -3.03 -0.43 0.00 -0.01 0.00 0.00 54.79 51.31 1r33 n ASP 412 Cb 0.00 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.43 1r33 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1r33 s ASN 413 N -1.26 6.87 0.02 -1.12 0.02 -0.23 -4.97 114.94 114.25 1r33 s ASN 413 Ca 0.50 -2.50 -0.20 0.00 -1.02 0.00 0.00 52.86 49.64 1r33 s ASN 413 Cb 0.40 -2.48 -0.06 0.00 0.02 0.00 0.00 41.25 39.13 1r33 s ASN 413 CO 0.13 -1.01 0.59 -0.31 0.02 0.00 0.00 177.10 176.52 1r33 s TYR 414 N 2.96 3.72 -1.26 2.20 1.51 -1.26 -3.48 117.35 121.74 1r33 s TYR 414 Ca 0.45 1.23 -0.05 0.00 -1.01 0.00 0.00 57.07 57.69 1r33 s TYR 414 Cb -0.01 -2.59 0.16 0.00 -0.11 0.00 0.00 41.96 39.42 1r33 s TYR 414 CO -0.00 0.41 2.22 0.91 -1.11 0.00 0.00 175.55 177.98 1r33 n TRP 415 N 2.46 2.65 0.98 2.71 7.02 0.55 -3.07 117.44 130.75 1r33 n TRP 415 Ca -0.08 -2.77 0.11 0.00 -1.02 0.00 0.00 57.50 53.75 1r33 n TRP 415 Cb 0.51 -1.72 0.01 0.00 -2.42 0.00 0.00 31.31 27.69 1r33 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1r33 n SER 416 N 1.62 2.15 -0.05 -0.99 3.41 -1.23 -4.40 113.62 114.14 1r33 n SER 416 Ca 0.57 -1.58 -0.08 0.00 -0.26 0.00 0.00 58.87 57.52 1r33 n SER 416 Cb 0.26 0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.72 1r33 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1r33 h GLY 417 N 4.73 0.73 1.30 5.00 0.00 -1.29 -2.82 103.07 110.72 1r33 h GLY 417 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1r33 h GLY 417 CO 0.00 0.61 0.00 1.58 0.00 0.00 0.00 176.54 178.73 1r33 n TYR 418 N -4.08 0.00 0.60 5.60 0.18 -1.07 -1.40 117.16 116.99 1r33 n TYR 418 Ca -0.01 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.88 1r33 n TYR 418 Cb 0.47 -0.15 0.43 0.00 -0.38 0.00 0.00 39.34 39.71 1r33 n TYR 418 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1r33 n TYR 419 N -1.15 0.30 0.00 -3.48 0.53 -1.07 -4.00 117.16 108.30 1r33 n TYR 419 Ca 0.11 0.11 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 1r33 n TYR 419 Cb 0.10 -0.67 0.00 0.00 -1.03 0.00 0.00 39.34 37.74 1r33 n TYR 419 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 1r33 n THR 420 N -1.77 0.00 -1.55 -0.72 -1.04 -0.50 -2.30 114.28 106.41 1r33 n THR 420 Ca 0.04 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.56 1r33 n THR 420 Cb 0.25 -0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 68.40 1r33 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1r33 n SER 421 N -1.28 0.83 -3.51 8.00 7.64 -0.90 -2.62 113.62 121.78 1r33 n SER 421 Ca 0.00 1.15 -0.23 0.00 1.01 0.00 0.00 58.87 60.79 1r33 n SER 421 Cb 0.21 -1.16 0.04 0.00 -1.01 0.00 0.00 64.21 62.30 1r33 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r33 n ARG 422 N 1.47 -1.50 0.27 1.43 3.00 -1.26 -4.03 116.66 116.04 1r33 n ARG 422 Ca 0.15 0.70 0.14 0.00 -0.01 0.00 0.00 57.85 58.84 1r33 n ARG 422 Cb 0.24 -4.62 0.77 0.00 0.00 0.00 0.00 32.46 28.85 1r33 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1r33 h PRO 423 N -1.31 0.00 -0.55 5.56 0.13 -1.83 -2.45 132.00 131.55 1r33 h PRO 423 Ca -0.57 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1r33 h PRO 423 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1r33 h PRO 423 CO 0.44 0.09 0.36 -0.92 -0.23 0.00 0.00 178.00 177.74 1r33 h TYR 424 N 0.00 0.68 0.00 1.56 3.20 -1.90 -1.27 116.97 119.24 1r33 h TYR 424 Ca -0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1r33 h TYR 424 Cb 0.35 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1r33 h TYR 424 CO 0.00 0.42 -0.68 0.45 -1.64 0.00 0.00 178.16 176.71 1r33 h HIS 425 N 0.73 0.00 -0.74 -3.82 3.86 -1.82 -0.02 115.15 113.33 1r33 h HIS 425 Ca 0.21 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1r33 h HIS 425 Cb -0.06 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1r33 h HIS 425 CO -0.04 0.68 0.28 0.87 0.86 0.00 0.00 177.93 180.58 1r33 h LYS 426 N 0.00 1.11 -0.22 2.45 1.57 -1.17 -0.02 116.57 120.29 1r33 h LYS 426 Ca -0.01 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.39 1r33 h LYS 426 Cb 1.36 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1r33 h LYS 426 CO 0.09 0.91 -0.59 -0.09 -0.57 0.00 0.00 179.45 179.20 1r33 h ARG 427 N 1.08 0.79 -0.77 3.15 9.65 -0.95 -3.02 114.38 124.32 1r33 h ARG 427 Ca 0.25 -0.55 0.08 0.00 -1.10 0.00 0.00 59.98 58.66 1r33 h ARG 427 Cb 0.22 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.84 1r33 h ARG 427 CO -0.02 1.17 0.50 1.98 2.80 0.00 0.00 179.97 186.41 1r33 h MET 428 N 0.53 0.73 -0.71 0.20 4.05 -0.65 -1.56 114.93 117.52 1r33 h MET 428 Ca -0.01 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.44 1r33 h MET 428 Cb 1.20 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.78 1r33 h MET 428 CO 0.13 0.48 0.38 0.22 0.23 0.00 0.00 176.91 178.35 1r33 h ASP 429 N 0.75 0.54 0.16 1.39 1.82 -0.87 0.44 116.42 120.66 1r33 h ASP 429 Ca 0.34 0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.87 1r33 h ASP 429 Cb 0.35 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1r33 h ASP 429 CO -0.12 0.33 -0.59 0.03 -1.61 0.00 0.00 179.24 177.28 1r33 h ARG 430 N 0.68 0.43 0.02 0.28 2.47 -1.31 0.87 114.38 117.82 1r33 h ARG 430 Ca 0.33 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1r33 h ARG 430 Cb 0.28 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1r33 h ARG 430 CO -0.22 0.90 -0.01 0.28 0.56 0.00 0.00 179.97 181.47 1r33 h VAL 431 N 0.33 1.19 -0.21 2.04 2.07 -0.93 -2.66 116.25 118.08 1r33 h VAL 431 Ca -0.00 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1r33 h VAL 431 Cb 1.12 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1r33 h VAL 431 CO 0.10 0.17 -0.13 0.25 0.02 0.00 0.00 177.57 177.98 1r33 h LEU 432 N -0.32 0.32 -0.51 2.57 5.85 -0.83 -1.05 115.31 121.35 1r33 h LEU 432 Ca -0.00 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1r33 h LEU 432 Cb 0.30 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1r33 h LEU 432 CO 0.01 0.48 0.14 -0.03 -0.34 0.00 0.00 178.44 178.70 1r33 h MET 433 N 0.32 0.28 -0.26 1.25 4.05 -0.70 0.83 114.93 120.69 1r33 h MET 433 Ca 0.06 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.28 1r33 h MET 433 Cb 0.42 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1r33 h MET 433 CO 0.02 0.19 -0.55 1.25 0.23 0.00 0.00 176.91 178.05 1r33 h HIS 434 N 0.29 1.06 -0.52 1.39 -0.00 -1.09 -2.53 115.15 113.75 1r33 h HIS 434 Ca 0.25 -0.39 -0.05 0.00 -0.00 0.00 0.00 60.37 60.18 1r33 h HIS 434 Cb 0.31 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1r33 h HIS 434 CO -0.20 1.21 0.11 1.88 -0.00 0.00 0.00 177.93 180.94 1r33 h TYR 435 N 0.61 0.82 -0.18 5.26 -1.99 -0.63 0.49 116.97 121.35 1r33 h TYR 435 Ca 0.01 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1r33 h TYR 435 Cb 1.16 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1r33 h TYR 435 CO 0.08 0.70 -0.01 0.28 -0.00 0.00 0.00 178.16 179.21 1r33 h VAL 436 N 0.77 1.26 -0.51 -2.88 2.07 -0.83 0.08 116.25 116.20 1r33 h VAL 436 Ca 0.17 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1r33 h VAL 436 Cb 0.30 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1r33 h VAL 436 CO -0.00 0.27 0.28 -0.09 0.02 0.00 0.00 177.57 178.04 1r33 h ARG 437 N 0.07 0.53 -0.58 1.57 2.43 -1.05 -0.17 114.38 117.18 1r33 h ARG 437 Ca 0.05 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1r33 h ARG 437 Cb 0.40 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1r33 h ARG 437 CO 0.01 0.35 -0.05 0.00 -1.51 0.00 0.00 179.97 178.77 1r33 h ALA 438 N 1.25 0.81 -0.45 2.80 0.00 -0.73 -0.66 119.26 122.28 1r33 h ALA 438 Ca 0.22 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1r33 h ALA 438 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1r33 h ALA 438 CO -0.13 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.81 1r33 h ALA 439 N 0.97 0.60 -0.30 0.00 0.00 -0.70 0.13 119.26 119.96 1r33 h ALA 439 Ca 0.16 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1r33 h ALA 439 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1r33 h ALA 439 CO 0.04 0.38 -0.34 0.93 0.00 0.00 0.00 179.25 180.26 1r33 h GLU 440 N 0.63 0.67 -0.03 0.00 5.08 -0.91 -2.35 114.58 117.68 1r33 h GLU 440 Ca 0.13 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1r33 h GLU 440 Cb 0.47 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1r33 h GLU 440 CO 0.02 0.92 -0.05 1.98 -1.00 0.00 0.00 179.01 180.88 1r33 h MET 441 N 0.57 0.08 -0.81 2.33 4.05 -0.96 -2.16 114.93 118.03 1r33 h MET 441 Ca 0.06 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1r33 h MET 441 Cb 0.86 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.62 1r33 h MET 441 CO 0.07 0.61 0.54 -0.07 0.23 0.00 0.00 176.91 178.29 1r33 h LEU 442 N -0.44 0.89 0.00 3.39 3.38 -0.77 -2.26 115.31 119.51 1r33 h LEU 442 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r33 h LEU 442 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1r33 h LEU 442 CO 0.01 0.63 -0.29 -1.54 0.09 0.00 0.00 178.44 177.34 1r33 n SER 443 N -4.43 0.64 0.26 -0.43 3.41 -0.89 -3.78 113.62 108.40 1r33 n SER 443 Ca 0.10 0.31 0.15 0.00 -0.26 0.00 0.00 58.87 59.17 1r33 n SER 443 Cb 0.08 -0.28 0.64 0.00 -0.26 0.00 0.00 64.21 64.39 1r33 n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r33 h ALA 444 N 2.63 1.03 0.00 7.33 0.00 -0.75 -3.14 119.26 126.36 1r33 h ALA 444 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1r33 h ALA 444 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1r33 h ALA 444 CO 0.00 0.10 -0.19 -1.49 0.00 0.00 0.00 179.25 177.67 1r33 h TRP 445 N 0.00 0.00 -2.11 0.00 4.06 -1.65 -3.44 115.95 112.80 1r33 h TRP 445 Ca -0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1r33 h TRP 445 Cb 0.54 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.57 1r33 h TRP 445 CO 0.00 0.19 -0.71 -1.01 -3.56 0.00 0.00 178.44 173.35 1r33 s HIS 446 N -4.49 2.31 -0.05 0.49 3.76 -1.19 -5.09 115.29 111.03 1r33 s HIS 446 Ca -0.04 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.27 1r33 s HIS 446 Cb 0.15 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.57 1r33 s HIS 446 CO 0.67 0.60 0.36 0.45 -0.85 0.00 0.00 174.74 175.97 1r33 s SER 447 N -3.55 6.69 -0.03 1.40 0.15 -1.26 -5.00 113.70 112.10 1r33 s SER 447 Ca 0.31 0.82 0.05 0.00 0.70 0.00 0.00 55.95 57.84 1r33 s SER 447 Cb 0.00 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1r33 s SER 447 CO 0.15 0.27 -0.18 0.26 1.20 0.00 0.00 173.24 174.95 1r33 s TRP 448 N -0.68 2.58 0.49 3.44 0.52 -1.26 -5.03 118.94 119.00 1r33 s TRP 448 Ca 0.22 -0.25 -0.24 0.00 0.02 0.00 0.00 56.10 55.85 1r33 s TRP 448 Cb -0.15 -1.57 -0.07 0.00 -1.15 0.00 0.00 33.47 30.53 1r33 s TRP 448 CO 0.10 0.14 1.41 0.34 0.02 0.00 0.00 176.95 178.97 1r33 s ASP 449 N -0.83 5.59 0.54 2.95 -1.08 -1.26 -4.32 116.67 118.26 1r33 s ASP 449 Ca 0.12 2.88 0.24 0.00 -0.52 0.00 0.00 52.55 55.28 1r33 s ASP 449 Cb -0.10 -2.65 1.41 0.00 -1.46 0.00 0.00 42.92 40.12 1r33 s ASP 449 CO 0.01 -1.37 2.03 1.23 0.52 0.00 0.00 175.17 177.59 1r33 h GLY 450 N 1.95 0.00 2.00 2.66 0.00 -2.01 -0.18 103.07 107.48 1r33 h GLY 450 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1r33 h GLY 450 CO 0.59 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.80 1r33 h MET 451 N 0.00 0.00 0.00 4.80 2.86 -2.05 -1.82 114.93 118.72 1r33 h MET 451 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1r33 h MET 451 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1r33 h MET 451 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1r33 n ALA 452 N -2.04 1.96 -2.87 6.32 0.00 -0.08 -4.91 120.51 118.89 1r33 n ALA 452 Ca -0.02 0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1r33 n ALA 452 Cb 0.13 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.16 1r33 n ALA 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r33 n ARG 453 N -2.25 -3.43 0.02 0.00 1.74 -0.69 -4.90 116.66 107.15 1r33 n ARG 453 Ca 0.04 0.77 -0.12 0.00 -0.77 0.00 0.00 57.85 57.76 1r33 n ARG 453 Cb 0.33 -5.51 -0.09 0.00 -1.02 0.00 0.00 32.46 26.16 1r33 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1r33 h ILE 454 N -0.76 1.21 -0.92 0.55 1.08 -1.85 -1.97 117.51 114.86 1r33 h ILE 454 Ca -0.45 -1.20 0.02 0.00 -0.39 0.00 0.00 64.86 62.84 1r33 h ILE 454 Cb 1.32 1.96 -0.05 0.00 -3.07 0.00 0.00 36.82 36.99 1r33 h ILE 454 CO 0.52 0.29 0.61 -0.33 -0.69 0.00 0.00 178.15 178.54 1r33 h GLU 455 N -0.66 1.18 0.04 2.37 3.07 -1.93 -0.79 114.58 117.86 1r33 h GLU 455 Ca -0.01 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1r33 h GLU 455 Cb 0.55 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1r33 h GLU 455 CO 0.02 0.78 -0.06 1.49 -1.40 0.00 0.00 179.01 179.84 1r33 h GLU 456 N 1.22 -0.12 -0.56 2.33 4.81 -1.95 0.30 114.58 120.61 1r33 h GLU 456 Ca 0.34 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1r33 h GLU 456 Cb -0.10 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1r33 h GLU 456 CO -0.08 -0.08 -0.07 0.00 -0.73 0.00 0.00 179.01 178.04 1r33 h ARG 457 N -0.13 1.03 -0.52 1.92 -0.00 -0.95 -2.29 114.38 113.44 1r33 h ARG 457 Ca 0.01 -0.37 -0.08 0.00 -0.50 0.00 0.00 59.98 59.04 1r33 h ARG 457 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.01 1r33 h ARG 457 CO -0.03 1.06 -0.00 -0.07 0.00 0.00 0.00 179.97 180.92 1r33 h LEU 458 N 0.92 0.85 -0.44 3.04 3.38 -1.04 -1.50 115.31 120.51 1r33 h LEU 458 Ca 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1r33 h LEU 458 Cb 0.64 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1r33 h LEU 458 CO 0.04 0.92 0.11 -0.08 0.09 0.00 0.00 178.44 179.52 1r33 h GLU 459 N 0.82 0.70 -0.20 1.13 4.81 -0.77 -0.07 114.58 121.00 1r33 h GLU 459 Ca 0.15 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1r33 h GLU 459 Cb 0.49 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1r33 h GLU 459 CO 0.02 0.70 0.13 0.37 -0.73 0.00 0.00 179.01 179.50 1r33 h GLN 460 N 0.57 0.25 -0.19 1.92 4.15 -1.25 -0.60 115.11 119.97 1r33 h GLN 460 Ca 0.14 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.56 1r33 h GLN 460 Cb 0.31 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1r33 h GLN 460 CO 0.00 0.17 0.08 0.00 -1.93 0.00 0.00 178.83 177.15 1r33 h ALA 461 N 1.07 0.21 -0.76 3.38 0.00 -1.00 -0.47 119.26 121.71 1r33 h ALA 461 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1r33 h ALA 461 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1r33 h ALA 461 CO -0.02 -0.35 0.50 0.00 0.00 0.00 0.00 179.25 179.38 1r33 h ARG 462 N 0.18 1.00 -0.31 0.00 3.08 -0.85 -1.92 114.38 115.56 1r33 h ARG 462 Ca 0.08 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1r33 h ARG 462 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1r33 h ARG 462 CO -0.07 0.66 -0.31 0.00 -1.07 0.00 0.00 179.97 179.19 1r33 h ARG 463 N 1.03 0.65 -0.17 0.04 3.08 -0.72 0.99 114.38 119.28 1r33 h ARG 463 Ca 0.28 -0.29 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 1r33 h ARG 463 Cb -0.11 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 29.93 1r33 h ARG 463 CO -0.06 0.88 -0.75 0.93 -1.07 0.00 0.00 179.97 179.89 1r33 h GLU 464 N 0.55 0.80 -0.63 0.04 4.39 -0.89 0.13 114.58 118.96 1r33 h GLU 464 Ca 0.07 -0.63 -0.07 0.00 0.34 0.00 0.00 59.36 59.06 1r33 h GLU 464 Cb 0.80 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 1r33 h GLU 464 CO 0.07 1.24 0.10 1.25 -1.16 0.00 0.00 179.01 180.50 1r33 h LEU 465 N 0.55 0.99 -0.70 1.33 5.85 -1.32 -2.74 115.31 119.27 1r33 h LEU 465 Ca -0.04 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1r33 h LEU 465 Cb 1.38 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1r33 h LEU 465 CO 0.16 0.98 0.27 0.28 -0.34 0.00 0.00 178.44 179.79 1r33 h SER 466 N 0.97 0.98 -0.98 1.25 0.02 -0.62 -2.47 113.55 112.70 1r33 h SER 466 Ca 0.19 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1r33 h SER 466 Cb 0.42 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1r33 h SER 466 CO 0.01 0.90 0.65 0.25 -1.14 0.00 0.00 176.83 177.50 1r33 h LEU 467 N 1.01 1.12 -1.65 5.07 5.85 -0.84 -2.15 115.31 123.72 1r33 h LEU 467 Ca 0.23 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1r33 h LEU 467 Cb 0.23 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1r33 h LEU 467 CO -0.02 0.81 0.00 0.15 -0.34 0.00 0.00 178.44 179.04 1r33 h PHE 468 N 1.32 0.00 0.00 1.25 3.57 -1.14 -1.71 116.94 120.23 1r33 h PHE 468 Ca 0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1r33 h PHE 468 Cb -0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1r33 h PHE 468 CO -0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 1r33 n GLN 469 N -2.85 0.06 -1.44 1.11 1.13 -0.81 -0.97 117.38 113.61 1r33 n GLN 469 Ca -0.00 0.34 -0.38 0.00 -1.94 0.00 0.00 57.00 55.02 1r33 n GLN 469 Cb 0.22 -1.62 0.04 0.00 0.11 0.00 0.00 30.24 28.99 1r33 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1r33 n HIS 470 N -1.72 -0.74 1.15 1.08 -0.00 -0.65 -0.96 115.22 113.38 1r33 n HIS 470 Ca 0.03 0.43 0.05 0.00 -0.00 0.00 0.00 57.72 58.23 1r33 n HIS 470 Cb 0.16 -1.95 0.31 0.00 -0.00 0.00 0.00 29.99 28.52 1r33 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1r33 n HIS 471 N -1.76 0.00 -0.09 1.57 1.44 -1.16 -0.71 115.22 114.50 1r33 n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1r33 n HIS 471 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1r33 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1r33 n ASP 472 N -0.79 1.69 0.00 4.39 8.00 -1.26 -4.67 116.55 123.92 1r33 n ASP 472 Ca 0.08 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1r33 n ASP 472 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1r33 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r33 n GLY 473 N -0.39 0.34 0.34 0.44 0.00 0.11 -3.33 105.19 102.69 1r33 n GLY 473 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1r33 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1r33 h ILE 474 N 0.00 0.41 0.00 -0.61 2.10 -1.07 -0.56 117.51 117.78 1r33 h ILE 474 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 1r33 h ILE 474 Cb 0.00 0.84 -0.00 0.00 -1.09 0.00 0.00 36.82 36.57 1r33 h ILE 474 CO 0.00 0.00 -0.01 0.71 -1.08 0.00 0.00 178.15 177.77 1r33 h THR 475 N 0.00 0.06 -0.81 2.19 1.35 -1.82 -3.43 112.91 110.45 1r33 h THR 475 Ca 0.07 -0.34 -0.12 0.00 -0.55 0.00 0.00 66.41 65.47 1r33 h THR 475 Cb 0.46 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1r33 h THR 475 CO -0.00 0.01 -0.15 0.61 -0.25 0.00 0.00 175.52 175.75 1r33 n GLY 476 N -0.42 0.16 0.88 5.82 0.00 -0.22 -4.40 105.19 107.01 1r33 n GLY 476 Ca -0.01 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1r33 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r33 n THR 477 N -3.96 2.15 -3.19 2.61 -2.24 -1.25 -4.56 114.28 103.84 1r33 n THR 477 Ca -0.07 -1.77 -0.19 0.00 -2.27 0.00 0.00 64.05 59.74 1r33 n THR 477 Cb 0.54 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1r33 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r33 s ALA 478 N -2.62 4.20 0.79 6.98 0.00 -1.21 -4.88 121.76 125.02 1r33 s ALA 478 Ca 0.40 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1r33 s ALA 478 Cb 0.32 -1.78 0.07 0.00 0.00 0.00 0.00 23.12 21.73 1r33 s ALA 478 CO 0.10 -0.22 1.11 0.15 0.00 0.00 0.00 175.76 176.89 1r33 s LYS 479 N -4.34 2.06 0.20 0.00 1.02 -0.37 -4.74 119.74 113.57 1r33 s LYS 479 Ca 0.49 1.29 -0.12 0.00 0.02 0.00 0.00 55.97 57.65 1r33 s LYS 479 Cb -0.10 -1.87 0.24 0.00 -0.52 0.00 0.00 37.83 35.59 1r33 s LYS 479 CO 0.33 -1.81 1.69 1.15 -0.92 0.00 0.00 175.35 175.79 1r33 h THR 480 N -1.12 0.60 0.00 2.17 2.02 -1.95 -0.66 112.91 113.97 1r33 h THR 480 Ca -0.44 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1r33 h THR 480 Cb 1.24 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1r33 h THR 480 CO 0.50 0.03 0.00 1.12 0.37 0.00 0.00 175.52 177.53 1r33 h HIS 481 N 0.16 0.00 0.19 3.16 2.07 -1.97 -1.63 115.15 117.13 1r33 h HIS 481 Ca 0.28 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.49 1r33 h HIS 481 Cb 0.43 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.45 1r33 h HIS 481 CO -0.30 0.00 -1.36 0.28 -3.07 0.00 0.00 177.93 173.47 1r33 h VAL 482 N 0.00 1.30 -0.96 6.12 2.07 -1.47 -2.01 116.25 121.29 1r33 h VAL 482 Ca 0.00 -2.63 0.01 0.00 0.82 0.00 0.00 66.70 64.89 1r33 h VAL 482 Cb 0.49 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 33.10 1r33 h VAL 482 CO 0.00 0.79 0.63 0.58 0.02 0.00 0.00 177.57 179.59 1r33 h VAL 483 N 0.20 1.25 -0.68 2.57 2.07 -0.95 -0.67 116.25 120.05 1r33 h VAL 483 Ca -0.22 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1r33 h VAL 483 Cb 2.05 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1r33 h VAL 483 CO 0.26 0.25 0.33 0.58 0.02 0.00 0.00 177.57 179.00 1r33 h VAL 484 N 1.31 1.22 -0.37 2.57 2.07 -1.28 -0.29 116.25 121.49 1r33 h VAL 484 Ca 0.35 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1r33 h VAL 484 Cb -0.13 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1r33 h VAL 484 CO -0.07 0.26 0.22 -0.78 0.02 0.00 0.00 177.57 177.21 1r33 h ASP 485 N 0.94 0.46 -0.76 0.57 -0.00 -0.52 -0.62 116.42 116.47 1r33 h ASP 485 Ca 0.23 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 1r33 h ASP 485 Cb 0.11 -0.12 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 1r33 h ASP 485 CO -0.03 0.39 0.35 1.88 -0.00 0.00 0.00 179.24 181.83 1r33 h TYR 486 N 0.48 1.13 -0.30 0.28 0.99 -0.74 -1.10 116.97 117.70 1r33 h TYR 486 Ca 0.13 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1r33 h TYR 486 Cb 0.03 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 37.39 1r33 h TYR 486 CO -0.03 0.83 0.14 1.49 -0.00 0.00 0.00 178.16 180.60 1r33 h GLU 487 N 1.11 0.43 -0.66 4.88 4.81 -0.73 -0.44 114.58 123.99 1r33 h GLU 487 Ca 0.26 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1r33 h GLU 487 Cb 0.15 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1r33 h GLU 487 CO -0.03 0.41 0.36 1.96 -0.73 0.00 0.00 179.01 180.98 1r33 h GLN 488 N 0.35 0.93 -0.27 1.92 4.20 -0.83 0.67 115.11 122.09 1r33 h GLN 488 Ca 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1r33 h GLN 488 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1r33 h GLN 488 CO -0.01 0.71 0.18 0.00 -0.67 0.00 0.00 178.83 179.03 1r33 h ARG 489 N 0.91 0.35 -0.27 1.46 3.08 -1.05 -1.37 114.38 117.50 1r33 h ARG 489 Ca 0.23 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1r33 h ARG 489 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1r33 h ARG 489 CO -0.04 0.24 -0.06 0.52 -1.07 0.00 0.00 179.97 179.56 1r33 h MET 490 N 0.36 0.42 -0.54 0.04 2.86 -0.65 -0.98 114.93 116.45 1r33 h MET 490 Ca 0.10 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1r33 h MET 490 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1r33 h MET 490 CO -0.02 0.49 0.05 0.37 1.06 0.00 0.00 176.91 178.87 1r33 h GLN 491 N 0.40 0.91 -0.43 1.72 5.75 -0.39 0.12 115.11 123.19 1r33 h GLN 491 Ca 0.08 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.24 1r33 h GLN 491 Cb 0.36 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1r33 h GLN 491 CO 0.02 0.90 -0.05 0.93 -2.65 0.00 0.00 178.83 177.98 1r33 h GLU 492 N 0.79 0.73 -0.63 1.69 4.39 -0.87 -2.10 114.58 118.59 1r33 h GLU 492 Ca 0.16 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1r33 h GLU 492 Cb 0.46 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1r33 h GLU 492 CO 0.02 0.78 0.15 0.00 -1.16 0.00 0.00 179.01 178.80 1r33 h ALA 493 N 1.27 0.83 -0.75 3.43 0.00 -0.60 -0.40 119.26 123.04 1r33 h ALA 493 Ca 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1r33 h ALA 493 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1r33 h ALA 493 CO 0.03 0.54 0.35 -0.07 0.00 0.00 0.00 179.25 180.09 1r33 h LEU 494 N 0.93 0.99 -0.83 0.00 3.38 -0.69 -0.03 115.31 119.07 1r33 h LEU 494 Ca 0.20 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1r33 h LEU 494 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1r33 h LEU 494 CO 0.00 0.86 0.15 0.11 0.09 0.00 0.00 178.44 179.65 1r33 h LYS 495 N 1.06 1.03 -0.30 1.13 1.57 -1.07 -0.02 116.57 119.97 1r33 h LYS 495 Ca 0.26 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1r33 h LYS 495 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1r33 h LYS 495 CO -0.03 0.92 0.15 0.00 -0.57 0.00 0.00 179.45 179.92 1r33 h ALA 496 N 1.18 0.39 -0.59 3.86 0.00 -0.62 -1.68 119.26 121.81 1r33 h ALA 496 Ca 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1r33 h ALA 496 Cb 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1r33 h ALA 496 CO 0.00 -0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.54 1r33 h GLN 498 N 0.69 0.61 -0.30 0.00 4.15 -0.76 0.71 115.11 120.21 1r33 h GLN 498 Ca 0.24 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.64 1r33 h GLN 498 Cb 0.04 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1r33 h GLN 498 CO -0.11 0.40 0.16 1.98 -1.93 0.00 0.00 178.83 179.33 1r33 h MET 499 N 0.63 0.32 -0.39 1.69 4.05 -1.08 0.35 114.93 120.51 1r33 h MET 499 Ca 0.17 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1r33 h MET 499 Cb -0.07 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1r33 h MET 499 CO -0.04 0.21 0.04 0.28 0.23 0.00 0.00 176.91 177.63 1r33 h VAL 500 N 0.33 1.25 -0.14 -5.77 2.07 -1.08 -1.46 116.25 111.44 1r33 h VAL 500 Ca 0.12 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1r33 h VAL 500 Cb 0.03 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1r33 h VAL 500 CO -0.07 0.31 0.08 0.24 0.02 0.00 0.00 177.57 178.14 1r33 h MET 501 N 0.49 0.19 -0.26 1.57 2.07 -0.57 -1.03 114.93 117.39 1r33 h MET 501 Ca 0.11 -0.02 -0.12 0.00 -2.07 0.00 0.00 59.70 57.61 1r33 h MET 501 Cb 0.40 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 1r33 h MET 501 CO 0.01 0.16 -0.35 -0.56 1.07 0.00 0.00 176.91 177.25 1r33 h GLN 502 N 0.15 0.58 -0.73 1.72 -0.00 -0.83 -0.25 115.11 115.75 1r33 h GLN 502 Ca 0.05 -0.27 -0.05 0.00 -0.00 0.00 0.00 58.65 58.38 1r33 h GLN 502 Cb 0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.47 1r33 h GLN 502 CO -0.01 0.84 0.26 1.96 -0.00 0.00 0.00 178.83 181.89 1r33 h GLN 503 N 0.49 1.11 -0.37 0.06 1.08 -1.17 -1.71 115.11 114.59 1r33 h GLN 503 Ca 0.05 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 1r33 h GLN 503 Cb 0.83 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1r33 h GLN 503 CO 0.07 0.92 0.09 0.77 -0.95 0.00 0.00 178.83 179.73 1r33 h SER 504 N 1.08 0.56 -0.54 1.46 0.02 -0.65 -2.32 113.55 113.15 1r33 h SER 504 Ca 0.24 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1r33 h SER 504 Cb 0.25 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1r33 h SER 504 CO -0.02 0.65 0.35 0.58 -1.14 0.00 0.00 176.83 177.25 1r33 h VAL 505 N 0.44 1.15 -0.95 2.27 2.07 -0.86 0.58 116.25 120.95 1r33 h VAL 505 Ca 0.12 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1r33 h VAL 505 Cb 0.31 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1r33 h VAL 505 CO 0.00 0.14 0.56 0.22 0.02 0.00 0.00 177.57 178.52 1r33 h TYR 506 N 0.73 1.25 -0.25 1.57 3.20 -1.16 -1.42 116.97 120.89 1r33 h TYR 506 Ca 0.20 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.88 1r33 h TYR 506 Cb -0.06 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 37.79 1r33 h TYR 506 CO -0.03 0.83 -0.56 -0.09 -1.64 0.00 0.00 178.16 176.68 1r33 h ARG 507 N 1.31 0.76 0.00 1.82 2.43 -1.01 -2.72 114.38 116.97 1r33 h ARG 507 Ca 0.34 -0.49 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1r33 h ARG 507 Cb -0.05 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1r33 h ARG 507 CO -0.06 1.11 -0.21 -0.07 -1.51 0.00 0.00 179.97 179.23 1r33 h LEU 508 N 0.58 0.00 -3.05 3.80 3.38 -0.38 -3.30 115.31 116.35 1r33 h LEU 508 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r33 h LEU 508 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1r33 h LEU 508 CO 0.12 0.21 0.00 0.18 0.09 0.00 0.00 178.44 179.04 1r33 n LEU 509 N -3.30 2.62 -4.35 1.67 4.77 -0.58 -4.89 117.00 112.94 1r33 n LEU 509 Ca 0.01 -2.94 -0.32 0.00 -0.03 0.00 0.00 56.01 52.73 1r33 n LEU 509 Cb 0.46 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1r33 n LEU 509 CO 0.33 0.68 -0.52 -0.89 -1.33 0.00 0.00 177.39 175.67 1r33 s THR 510 N -2.63 2.47 0.06 -5.08 2.01 -1.03 0.08 115.64 111.52 1r33 s THR 510 Ca 0.30 -0.92 -0.36 0.00 0.31 0.00 0.00 61.69 61.02 1r33 s THR 510 Cb 0.26 -1.93 -0.16 0.00 0.01 0.00 0.00 72.50 70.68 1r33 s THR 510 CO 0.04 0.57 1.44 1.17 -0.69 0.00 0.00 174.62 177.15 1r33 n LYS 511 N 2.76 1.37 -0.33 4.92 4.81 -0.12 -4.71 118.16 126.85 1r33 n LYS 511 Ca -0.17 0.50 0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1r33 n LYS 511 Cb 0.52 -2.17 0.26 0.00 0.02 0.00 0.00 35.03 33.66 1r33 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1r33 h PRO 512 N 5.21 0.70 0.00 1.64 0.11 -1.92 -0.83 132.00 136.91 1r33 h PRO 512 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1r33 h PRO 512 Cb 1.32 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1r33 h PRO 512 CO 0.82 0.47 0.00 -1.13 -0.21 0.00 0.00 178.00 177.95 1r33 n SER 513 N -4.80 0.00 -0.07 -2.05 3.41 -1.26 -2.86 113.62 105.98 1r33 n SER 513 Ca 0.20 -0.25 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 1r33 n SER 513 Cb 0.48 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1r33 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1r33 n ILE 514 N -1.21 0.98 -1.67 -1.33 5.41 -0.47 -5.00 119.36 116.06 1r33 n ILE 514 Ca 0.13 -0.55 -0.56 0.00 1.00 0.00 0.00 62.75 62.78 1r33 n ILE 514 Cb 0.16 -0.75 -0.07 0.00 -0.71 0.00 0.00 39.64 38.27 1r33 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1r33 n TYR 515 N -2.64 2.02 -3.39 1.39 9.36 -0.44 -4.92 117.16 118.53 1r33 n TYR 515 Ca -0.25 0.46 -0.27 0.00 3.32 0.00 0.00 57.90 61.16 1r33 n TYR 515 Cb 0.93 -2.49 -0.10 0.00 -0.63 0.00 0.00 39.34 37.05 1r33 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1r33 n SER 516 N 6.05 -0.35 -4.77 2.98 2.88 -1.26 -5.04 113.62 114.11 1r33 n SER 516 Ca 0.28 -2.41 -0.39 0.00 -1.33 0.00 0.00 58.87 55.02 1r33 n SER 516 Cb 0.15 -0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 63.01 1r33 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1r33 s PRO 517 N -0.06 4.45 -0.32 -1.46 0.04 -1.26 -5.02 135.00 131.38 1r33 s PRO 517 Ca 0.33 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 1r33 s PRO 517 Cb 0.04 -2.91 0.05 0.00 0.04 0.00 0.00 34.50 31.72 1r33 s PRO 517 CO -0.19 0.09 0.06 0.34 0.04 0.00 0.00 177.00 177.33 1r33 s ASP 518 N -1.21 5.10 0.00 6.66 -1.08 -1.26 -4.99 116.67 119.90 1r33 s ASP 518 Ca 0.50 -1.23 0.09 0.00 -0.52 0.00 0.00 52.55 51.39 1r33 s ASP 518 Cb -0.27 -1.79 0.46 0.00 -1.46 0.00 0.00 42.92 39.86 1r33 s ASP 518 CO 0.34 -0.30 1.20 0.49 0.52 0.00 0.00 175.17 177.42 1r33 n PHE 519 N 4.71 0.00 0.76 -5.34 3.72 -1.26 -1.47 117.46 118.58 1r33 n PHE 519 Ca -0.13 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.36 1r33 n PHE 519 Cb 0.44 -0.33 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1r33 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1r33 n SER 520 N -1.33 1.49 -4.84 4.37 3.41 -1.26 -4.98 113.62 110.48 1r33 n SER 520 Ca 0.04 -1.25 -0.33 0.00 -0.26 0.00 0.00 58.87 57.07 1r33 n SER 520 Cb 0.08 0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 1r33 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1r33 s PHE 521 N -2.10 3.42 -0.46 7.33 5.36 -0.54 -5.05 117.98 125.95 1r33 s PHE 521 Ca 0.12 1.28 -0.09 0.00 -0.96 0.00 0.00 56.93 57.29 1r33 s PHE 521 Cb 0.13 -2.58 0.11 0.00 -0.34 0.00 0.00 43.02 40.35 1r33 s PHE 521 CO 0.48 0.13 0.32 -1.54 -1.46 0.00 0.00 175.22 173.15 1r33 s SER 522 N -2.14 5.67 0.25 6.13 1.04 -1.26 -4.89 113.70 118.48 1r33 s SER 522 Ca 0.53 -1.85 0.05 0.00 0.48 0.00 0.00 55.95 55.16 1r33 s SER 522 Cb -0.11 -2.00 0.28 0.00 0.10 0.00 0.00 66.02 64.29 1r33 s SER 522 CO 0.18 -0.66 1.58 1.88 0.98 0.00 0.00 173.24 177.20 1r33 h TYR 523 N 8.42 0.27 -3.97 5.02 -1.99 -1.95 -3.42 116.97 119.35 1r33 h TYR 523 Ca -0.21 -0.10 -0.23 0.00 2.00 0.00 0.00 58.73 60.19 1r33 h TYR 523 Cb 1.07 -0.05 -0.20 0.00 2.00 0.00 0.00 36.73 39.55 1r33 h TYR 523 CO 0.63 0.75 -0.72 -0.06 -0.00 0.00 0.00 178.16 178.76 1r33 s PHE 524 N -3.78 0.53 -0.12 4.88 0.40 -1.26 -0.02 117.98 118.63 1r33 s PHE 524 Ca -0.04 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1r33 s PHE 524 Cb 0.12 -0.33 -0.03 0.00 0.51 0.00 0.00 43.02 43.29 1r33 s PHE 524 CO 0.79 -0.14 -0.06 0.99 0.70 0.00 0.00 175.22 177.50 1r33 s THR 525 N -1.70 3.73 0.39 0.64 2.01 -0.30 -4.87 115.64 115.54 1r33 s THR 525 Ca -0.10 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 1r33 s THR 525 Cb -0.08 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.76 1r33 s THR 525 CO -0.01 0.54 1.06 -0.76 -0.69 0.00 0.00 174.62 174.76 1r33 s LEU 526 N -0.14 4.18 -0.18 4.42 1.43 -1.26 -0.84 118.68 126.29 1r33 s LEU 526 Ca 0.02 2.06 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 1r33 s LEU 526 Cb -0.13 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 41.99 1r33 s LEU 526 CO 0.03 -0.46 -0.15 -0.62 0.23 0.00 0.00 176.35 175.37 1r33 s ASP 527 N -1.49 3.13 -0.19 2.29 2.15 -0.19 -4.90 116.67 117.46 1r33 s ASP 527 Ca 0.56 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1r33 s ASP 527 Cb -0.23 -1.33 0.04 0.00 -0.30 0.00 0.00 42.92 41.10 1r33 s ASP 527 CO 0.29 -0.06 -0.10 -0.62 -0.17 0.00 0.00 175.17 174.51 1r33 s ASP 528 N 1.37 3.31 0.00 -0.34 -1.08 -1.26 -4.14 116.67 114.52 1r33 s ASP 528 Ca 0.03 -0.85 0.28 0.00 -0.52 0.00 0.00 52.55 51.49 1r33 s ASP 528 Cb -0.14 -1.19 1.27 0.00 -1.46 0.00 0.00 42.92 41.40 1r33 s ASP 528 CO -0.11 -0.15 1.93 -1.54 0.52 0.00 0.00 175.17 175.82 1r33 n SER 529 N 4.71 0.00 0.00 -0.34 3.41 -1.26 -3.94 113.62 116.20 1r33 n SER 529 Ca -0.14 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1r33 n SER 529 Cb 0.47 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1r33 n SER 529 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r33 n ARG 530 N -1.45 0.90 -3.69 4.33 1.74 -1.26 -4.32 116.66 112.91 1r33 n ARG 530 Ca 0.08 -0.96 -0.11 0.00 -0.77 0.00 0.00 57.85 56.10 1r33 n ARG 530 Cb 0.31 -0.98 -0.11 0.00 -1.02 0.00 0.00 32.46 30.66 1r33 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1r33 s TRP 531 N -0.47 -0.55 0.12 -1.55 -0.11 -1.25 -3.87 118.94 111.26 1r33 s TRP 531 Ca 0.00 1.18 0.34 0.00 1.22 0.00 0.00 56.10 58.83 1r33 s TRP 531 Cb 0.00 0.18 1.57 0.00 -1.50 0.00 0.00 33.47 33.73 1r33 s TRP 531 CO 0.00 -0.35 2.01 -1.35 -4.62 0.00 0.00 176.95 172.64 1r33 h PRO 532 N 7.50 0.00 0.00 5.86 0.11 -1.87 -3.44 132.00 140.17 1r33 h PRO 532 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1r33 h PRO 532 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1r33 h PRO 532 CO 0.26 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.46 1r33 n GLY 533 N -0.41 2.42 3.68 -0.55 0.00 -1.25 -4.32 105.19 104.76 1r33 n GLY 533 Ca -0.00 -1.71 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 1r33 n GLY 533 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r33 n SER 534 N 0.00 3.59 0.00 1.61 2.88 -1.26 -0.34 113.62 120.11 1r33 n SER 534 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1r33 n SER 534 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.03 1r33 n SER 534 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r33 n GLY 535 N 4.23 0.65 0.27 0.46 0.00 -1.26 -4.87 105.19 104.68 1r33 n GLY 535 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1r33 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1r33 n VAL 536 N -2.00 1.07 -3.67 1.61 0.31 0.54 -4.98 118.33 111.21 1r33 n VAL 536 Ca 0.00 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 1r33 n VAL 536 Cb 0.00 -1.52 -0.09 0.00 -0.91 0.00 0.00 33.84 31.32 1r33 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1r33 s GLU 537 N -2.36 0.55 -0.93 5.55 2.12 -1.03 -4.99 118.70 117.61 1r33 s GLU 537 Ca -0.26 1.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.89 1r33 s GLU 537 Cb 0.09 0.08 0.11 0.00 0.26 0.00 0.00 34.13 34.67 1r33 s GLU 537 CO 0.38 -0.16 1.19 0.34 -0.54 0.00 0.00 175.26 176.46 1r33 s ASP 538 N 1.57 6.57 -0.00 -1.70 3.68 -1.26 -4.60 116.67 120.92 1r33 s ASP 538 Ca -0.10 -1.84 0.04 0.00 2.13 0.00 0.00 52.55 52.79 1r33 s ASP 538 Cb -0.07 -2.44 -0.05 0.00 -1.45 0.00 0.00 42.92 38.91 1r33 s ASP 538 CO -0.16 -1.19 0.10 -1.54 0.13 0.00 0.00 175.17 172.50 1r33 n SER 539 N 7.14 3.15 -4.76 -0.34 3.41 -1.26 -5.03 113.62 115.93 1r33 n SER 539 Ca 0.24 -0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.30 1r33 n SER 539 Cb 0.49 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 1r33 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r33 s ARG 540 N -2.02 4.47 0.27 4.33 0.52 -1.26 -5.02 118.95 120.23 1r33 s ARG 540 Ca -0.01 2.02 -0.07 0.00 -0.52 0.00 0.00 55.73 57.15 1r33 s ARG 540 Cb 0.02 -3.10 -0.06 0.00 0.52 0.00 0.00 34.95 32.33 1r33 s ARG 540 CO 0.15 -0.02 0.56 0.95 0.02 0.00 0.00 175.30 176.96 1r33 s THR 541 N -1.16 4.98 -0.10 0.02 -4.23 -1.26 -5.06 115.64 108.83 1r33 s THR 541 Ca 0.47 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 1r33 s THR 541 Cb -0.36 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 1r33 s THR 541 CO 0.47 -0.22 0.22 -0.89 -0.54 0.00 0.00 174.62 173.66 1r33 s THR 542 N -1.98 5.36 -0.38 3.99 2.01 -1.26 -4.46 115.64 118.91 1r33 s THR 542 Ca 0.46 0.40 -0.27 0.00 0.31 0.00 0.00 61.69 62.58 1r33 s THR 542 Cb -0.11 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1r33 s THR 542 CO 0.26 0.57 1.01 -0.63 -0.69 0.00 0.00 174.62 175.14 1r33 s ILE 543 N -0.74 4.48 -0.38 1.82 1.01 -0.10 -4.94 121.20 122.36 1r33 s ILE 543 Ca 0.17 1.34 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 1r33 s ILE 543 Cb -0.13 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1r33 s ILE 543 CO 0.06 -0.64 0.40 -0.63 0.00 0.00 0.00 174.94 174.13 1r33 s ILE 544 N 3.75 5.13 0.20 2.92 1.01 -1.26 -1.48 121.20 131.47 1r33 s ILE 544 Ca 0.42 -0.11 0.11 0.00 0.00 0.00 0.00 60.65 61.07 1r33 s ILE 544 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1r33 s ILE 544 CO 0.21 -0.24 -0.21 -0.76 0.00 0.00 0.00 174.94 173.94 1r33 s LEU 545 N 2.08 2.55 -0.30 2.97 1.43 -1.26 -4.73 118.68 121.41 1r33 s LEU 545 Ca 0.12 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.12 1r33 s LEU 545 Cb -0.17 -1.25 0.20 0.00 0.03 0.00 0.00 46.19 45.00 1r33 s LEU 545 CO 0.12 0.11 1.45 -0.83 0.23 0.00 0.00 176.35 177.43 1r33 s GLY 546 N -2.80 0.31 0.41 -3.19 0.00 0.45 -4.82 107.32 97.68 1r33 s GLY 546 Ca 0.23 3.36 0.13 0.00 0.00 0.00 0.00 44.72 48.43 1r33 s GLY 546 CO 0.11 1.65 1.94 -2.09 0.00 0.00 0.00 173.10 174.71 1r33 h GLU 547 N 2.65 0.49 -0.64 2.90 4.81 -1.97 0.85 114.58 123.66 1r33 h GLU 547 Ca -0.20 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1r33 h GLU 547 Cb 1.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1r33 h GLU 547 CO 0.20 0.32 0.00 -0.25 -0.73 0.00 0.00 179.01 178.55 1r33 n ASP 548 N -4.49 4.49 0.00 1.04 8.00 -1.26 -4.65 116.55 119.68 1r33 n ASP 548 Ca 0.13 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 53.06 1r33 n ASP 548 Cb 0.42 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1r33 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r33 n ILE 549 N 0.73 0.00 -3.44 0.53 3.06 -0.13 -5.13 119.36 114.98 1r33 n ILE 549 Ca 0.22 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.48 1r33 n ILE 549 Cb 0.90 -0.16 -0.04 0.00 0.54 0.00 0.00 39.64 40.88 1r33 n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1r33 s LEU 550 N -3.95 -0.76 0.37 9.51 2.96 0.11 -4.91 118.68 122.01 1r33 s LEU 550 Ca 0.00 0.98 0.22 0.00 -0.22 0.00 0.00 54.13 55.11 1r33 s LEU 550 Cb 0.00 1.84 0.24 0.00 0.50 0.00 0.00 46.19 48.77 1r33 s LEU 550 CO 0.00 -0.14 1.48 1.55 -1.32 0.00 0.00 176.35 177.91 1r33 h PRO 551 N 7.68 0.00 -3.45 0.98 0.13 -1.91 0.13 132.00 135.56 1r33 h PRO 551 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1r33 h PRO 551 Cb 1.12 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1r33 h PRO 551 CO 0.08 0.06 -0.03 -1.54 -0.23 0.00 0.00 178.00 176.34 1r33 s SER 552 N -6.09 -0.16 -0.10 1.44 1.04 -1.26 -1.40 113.70 107.17 1r33 s SER 552 Ca 0.05 -0.71 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 1r33 s SER 552 Cb 0.06 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1r33 s SER 552 CO 0.70 -1.11 0.26 -0.75 0.98 0.00 0.00 173.24 173.31 1r33 s LYS 553 N -3.95 0.24 0.13 4.02 2.47 -0.16 -4.98 119.74 117.51 1r33 s LYS 553 Ca 0.15 0.48 -0.21 0.00 -1.56 0.00 0.00 55.97 54.83 1r33 s LYS 553 Cb -0.01 -0.03 -0.07 0.00 -1.46 0.00 0.00 37.83 36.26 1r33 s LYS 553 CO 0.03 -0.12 0.66 -1.01 0.16 0.00 0.00 175.35 175.07 1r33 s HIS 554 N 0.88 3.81 0.09 4.03 3.76 -1.26 -0.94 115.29 125.66 1r33 s HIS 554 Ca -0.06 1.39 0.05 0.00 -0.15 0.00 0.00 55.06 56.29 1r33 s HIS 554 Cb -0.07 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.99 1r33 s HIS 554 CO -0.06 0.52 -0.14 0.14 -0.85 0.00 0.00 174.74 174.36 1r33 s VAL 555 N -1.20 1.15 -0.01 -0.90 -7.23 -0.11 -1.87 120.40 110.22 1r33 s VAL 555 Ca 0.34 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1r33 s VAL 555 Cb -0.20 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.49 1r33 s VAL 555 CO 0.22 -0.33 -0.04 -0.69 -0.31 0.00 0.00 175.10 173.95 1r33 s VAL 556 N -1.70 0.37 -0.07 1.32 1.01 -0.28 -0.79 120.40 120.27 1r33 s VAL 556 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1r33 s VAL 556 Cb -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1r33 s VAL 556 CO 0.02 0.14 -0.03 -0.04 0.00 0.00 0.00 175.10 175.18 1r33 s MET 557 N 0.26 2.84 -0.03 2.72 -1.94 -0.29 -0.16 119.30 122.71 1r33 s MET 557 Ca -0.03 -0.50 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 1r33 s MET 557 Cb -0.06 -2.68 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 1r33 s MET 557 CO -0.00 0.68 -0.14 -1.58 -0.01 0.00 0.00 175.02 173.96 1r33 s HIS 558 N -0.87 2.69 -0.31 -0.03 5.04 0.02 -1.54 115.29 120.29 1r33 s HIS 558 Ca 0.13 -0.17 0.03 0.00 -1.54 0.00 0.00 55.06 53.51 1r33 s HIS 558 Cb -0.11 -1.59 0.09 0.00 0.04 0.00 0.00 32.58 31.00 1r33 s HIS 558 CO 0.03 0.22 0.01 1.21 -2.34 0.00 0.00 174.74 173.86 1r33 s ASN 559 N -0.94 4.54 0.34 9.88 2.47 -0.41 -1.23 114.94 129.58 1r33 s ASN 559 Ca 0.13 -1.85 0.27 0.00 0.42 0.00 0.00 52.86 51.82 1r33 s ASN 559 Cb -0.11 -1.50 1.01 0.00 -1.45 0.00 0.00 41.25 39.20 1r33 s ASN 559 CO 0.02 -0.33 1.79 0.00 -3.72 0.00 0.00 177.10 174.86 1r33 h THR 560 N 6.64 0.00 -3.90 -5.21 1.03 -1.86 -1.91 112.91 107.70 1r33 h THR 560 Ca -0.10 -0.40 -0.49 0.00 -0.01 0.00 0.00 66.41 65.42 1r33 h THR 560 Cb 1.03 1.26 0.01 0.00 -1.07 0.00 0.00 68.15 69.38 1r33 h THR 560 CO 0.49 0.00 0.41 -0.76 -0.01 0.00 0.00 175.52 175.65 1r33 s LEU 561 N -5.04 4.31 -0.02 0.00 1.43 -1.26 -4.49 118.68 113.61 1r33 s LEU 561 Ca 0.05 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.19 1r33 s LEU 561 Cb 0.09 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 1r33 s LEU 561 CO 0.48 -0.29 2.12 -0.81 0.23 0.00 0.00 176.35 178.09 1r33 n PRO 562 N 0.45 1.11 -3.74 1.29 -0.04 -1.26 -1.36 135.00 131.45 1r33 n PRO 562 Ca 0.02 -0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1r33 n PRO 562 Cb 0.48 -1.10 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 1r33 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1r33 s HIS 563 N -0.01 -0.20 0.37 0.54 -3.43 -1.26 -0.49 115.29 110.81 1r33 s HIS 563 Ca 0.07 0.25 -0.26 0.00 -0.80 0.00 0.00 55.06 54.31 1r33 s HIS 563 Cb 0.04 0.13 -0.12 0.00 -1.43 0.00 0.00 32.58 31.20 1r33 s HIS 563 CO -0.00 -0.44 1.12 0.91 -2.00 0.00 0.00 174.74 174.33 1r33 n TRP 564 N 1.03 1.62 -3.81 0.38 7.02 -1.26 -3.98 117.44 118.44 1r33 n TRP 564 Ca -0.20 0.58 -0.13 0.00 -1.02 0.00 0.00 57.50 56.73 1r33 n TRP 564 Cb 0.57 -2.30 -0.13 0.00 -2.42 0.00 0.00 31.31 27.03 1r33 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1r33 s ARG 565 N -1.92 0.16 0.02 -0.99 3.52 -0.74 -4.95 118.95 114.05 1r33 s ARG 565 Ca 0.60 0.22 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 1r33 s ARG 565 Cb -0.58 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 1r33 s ARG 565 CO 0.59 -0.04 -0.05 -1.21 -0.81 0.00 0.00 175.30 173.78 1r33 s GLU 566 N 0.19 2.55 -0.26 5.12 2.02 -1.26 -0.97 118.70 126.09 1r33 s GLU 566 Ca -0.01 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 1r33 s GLU 566 Cb -0.02 -2.51 0.08 0.00 0.10 0.00 0.00 34.13 31.78 1r33 s GLU 566 CO -0.01 0.59 0.78 -1.14 0.02 0.00 0.00 175.26 175.51 1r33 s GLN 567 N -1.60 0.78 0.30 1.61 0.74 -0.72 -4.98 119.66 115.78 1r33 s GLN 567 Ca 0.19 0.89 -0.29 0.00 0.05 0.00 0.00 55.36 56.19 1r33 s GLN 567 Cb -0.11 0.38 -0.10 0.00 1.10 0.00 0.00 33.01 34.28 1r33 s GLN 567 CO 0.10 -0.10 1.17 -0.51 -0.55 0.00 0.00 175.29 175.39 1r33 s LEU 568 N 0.29 4.51 0.10 3.68 1.43 -1.26 -1.15 118.68 126.27 1r33 s LEU 568 Ca 0.00 2.41 0.07 0.00 -1.03 0.00 0.00 54.13 55.58 1r33 s LEU 568 Cb -0.05 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1r33 s LEU 568 CO -0.00 -0.27 -0.19 0.68 0.23 0.00 0.00 176.35 176.80 1r33 s VAL 569 N -1.14 1.53 0.10 -1.59 -7.23 -0.18 -4.90 120.40 106.99 1r33 s VAL 569 Ca 0.46 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1r33 s VAL 569 Cb -0.35 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1r33 s VAL 569 CO 0.45 -0.13 -0.16 1.51 -0.31 0.00 0.00 175.10 176.46 1r33 s ASP 570 N -1.91 2.08 0.04 4.85 -4.77 -1.26 -1.77 116.67 113.93 1r33 s ASP 570 Ca 0.04 -0.72 0.01 0.00 -3.30 0.00 0.00 52.55 48.58 1r33 s ASP 570 Cb -0.10 -0.09 -0.02 0.00 -1.09 0.00 0.00 42.92 41.62 1r33 s ASP 570 CO 0.04 -0.06 -0.06 -0.36 0.70 0.00 0.00 175.17 175.43 1r33 s PHE 571 N -1.61 0.50 0.13 2.11 0.40 -0.25 -4.93 117.98 114.33 1r33 s PHE 571 Ca 0.05 -0.55 -0.23 0.00 -0.60 0.00 0.00 56.93 55.60 1r33 s PHE 571 Cb -0.08 -0.32 -0.07 0.00 0.51 0.00 0.00 43.02 43.06 1r33 s PHE 571 CO 0.03 -0.14 0.71 0.71 0.70 0.00 0.00 175.22 177.23 1r33 s TYR 572 N -1.58 3.86 0.09 0.36 2.02 -1.26 -0.86 117.35 119.99 1r33 s TYR 572 Ca -0.11 1.51 0.02 0.00 -0.37 0.00 0.00 57.07 58.12 1r33 s TYR 572 Cb -0.09 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 1r33 s TYR 572 CO -0.01 0.52 -0.07 0.14 -1.57 0.00 0.00 175.55 174.56 1r33 s VAL 573 N -1.04 0.70 -2.15 0.71 -7.23 0.09 -0.92 120.40 110.56 1r33 s VAL 573 Ca 0.34 -1.74 0.20 0.00 -1.81 0.00 0.00 61.98 58.97 1r33 s VAL 573 Cb -0.22 -1.45 0.51 0.00 0.56 0.00 0.00 36.38 35.78 1r33 s VAL 573 CO 0.24 -0.74 1.66 -1.54 -0.31 0.00 0.00 175.10 174.40 1r33 n SER 574 N 0.30 0.81 -3.77 4.85 3.41 -0.55 -0.94 113.62 117.74 1r33 n SER 574 Ca -0.15 -1.54 -0.13 0.00 -0.26 0.00 0.00 58.87 56.79 1r33 n SER 574 Cb 0.59 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 1r33 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r33 s SER 575 N -1.61 -0.21 0.07 4.04 0.15 -1.26 -4.72 113.70 110.16 1r33 s SER 575 Ca 0.31 0.19 0.27 0.00 0.70 0.00 0.00 55.95 57.42 1r33 s SER 575 Cb 0.15 0.38 0.98 0.00 -1.71 0.00 0.00 66.02 65.82 1r33 s SER 575 CO 0.25 -0.37 1.79 -0.81 1.20 0.00 0.00 173.24 175.30 1r33 n PRO 576 N 1.65 0.09 -2.95 5.44 -0.04 -1.26 -4.40 135.00 133.53 1r33 n PRO 576 Ca -0.20 0.07 -0.44 0.00 -0.04 0.00 0.00 63.50 62.89 1r33 n PRO 576 Cb 0.56 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1r33 n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1r33 n PHE 577 N -1.76 3.77 -4.52 0.54 0.99 -1.26 -4.94 117.46 110.28 1r33 n PHE 577 Ca 0.06 -3.15 -0.21 0.00 -0.00 0.00 0.00 57.45 54.16 1r33 n PHE 577 Cb 0.37 -1.71 -0.15 0.00 -1.00 0.00 0.00 39.48 37.00 1r33 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1r33 s VAL 578 N -0.89 0.95 0.19 -4.37 1.01 -1.26 -0.76 120.40 115.27 1r33 s VAL 578 Ca 0.35 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1r33 s VAL 578 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1r33 s VAL 578 CO 0.01 0.24 -0.15 -0.94 0.00 0.00 0.00 175.10 174.27 1r33 s SER 579 N -0.36 2.51 -0.04 3.32 1.04 0.01 -4.82 113.70 115.37 1r33 s SER 579 Ca 0.04 -0.97 0.05 0.00 0.48 0.00 0.00 55.95 55.55 1r33 s SER 579 Cb -0.05 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1r33 s SER 579 CO -0.00 -0.15 -0.18 -0.69 0.98 0.00 0.00 173.24 173.20 1r33 s VAL 580 N -2.73 2.74 0.12 5.02 1.01 -1.26 -1.08 120.40 124.22 1r33 s VAL 580 Ca 0.20 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1r33 s VAL 580 Cb -0.02 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1r33 s VAL 580 CO 0.06 0.58 -0.08 0.42 0.00 0.00 0.00 175.10 176.08 1r33 s THR 581 N -0.70 0.92 0.35 3.92 -4.23 -0.68 -0.60 115.64 114.62 1r33 s THR 581 Ca 0.11 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1r33 s THR 581 Cb -0.10 -1.72 0.07 0.00 1.34 0.00 0.00 72.50 72.08 1r33 s THR 581 CO 0.00 -0.79 0.48 -0.90 -0.54 0.00 0.00 174.62 172.87 1r33 n ASP 582 N -0.05 0.75 0.00 3.99 3.85 -0.47 -1.25 116.55 123.37 1r33 n ASP 582 Ca -0.12 -1.61 0.14 0.00 -0.71 0.00 0.00 54.79 52.50 1r33 n ASP 582 Cb 0.60 -0.30 0.76 0.00 -1.35 0.00 0.00 41.12 40.84 1r33 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1r33 n LEU 583 N 0.00 0.00 -0.70 -2.12 7.94 -1.23 -1.36 117.00 119.53 1r33 n LEU 583 Ca 0.08 0.23 0.08 0.00 -1.11 0.00 0.00 56.01 55.29 1r33 n LEU 583 Cb 0.30 -0.23 0.23 0.00 0.53 0.00 0.00 43.42 44.25 1r33 n LEU 583 CO 0.20 -0.01 0.69 0.00 -1.11 0.00 0.00 177.39 177.15 1r33 n ALA 584 N -1.23 2.46 -1.51 1.96 0.00 -1.26 -4.91 120.51 116.02 1r33 n ALA 584 Ca 0.15 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1r33 n ALA 584 Cb 0.21 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1r33 n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r33 n ASN 585 N 0.60 -4.58 -4.73 0.00 3.02 -0.46 -4.99 115.26 104.11 1r33 n ASN 585 Ca 0.14 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.58 1r33 n ASN 585 Cb 0.34 -3.34 -0.05 0.00 -0.61 0.00 0.00 39.78 36.13 1r33 n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1r33 s ASN 586 N -2.80 7.51 0.56 6.41 0.01 -1.26 -4.76 114.94 120.62 1r33 s ASN 586 Ca 0.00 1.87 -0.20 0.00 -0.71 0.00 0.00 52.86 53.81 1r33 s ASN 586 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1r33 s ASN 586 CO 0.00 -0.03 1.24 -2.84 -1.51 0.00 0.00 177.10 173.97 1r33 s PRO 587 N -0.34 3.12 -0.08 -0.60 0.02 -1.26 -1.37 135.00 134.49 1r33 s PRO 587 Ca 0.46 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.44 1r33 s PRO 587 Cb -0.25 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1r33 s PRO 587 CO 0.31 -1.12 -0.14 0.08 -0.33 0.00 0.00 177.00 175.80 1r33 s VAL 588 N -1.50 1.31 0.29 3.83 1.01 0.23 -4.84 120.40 120.74 1r33 s VAL 588 Ca 0.74 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1r33 s VAL 588 Cb -0.33 -1.19 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 1r33 s VAL 588 CO 0.37 0.40 1.51 -0.70 0.00 0.00 0.00 175.10 176.69 1r33 s GLU 589 N 0.74 4.18 0.11 2.72 2.12 -1.26 -4.29 118.70 123.01 1r33 s GLU 589 Ca -0.13 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1r33 s GLU 589 Cb -0.16 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1r33 s GLU 589 CO 0.03 -0.53 -0.01 0.00 -0.54 0.00 0.00 175.26 174.22 1r33 s ALA 590 N -0.22 0.86 -0.02 6.30 0.00 0.31 -4.29 121.76 124.71 1r33 s ALA 590 Ca 0.60 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1r33 s ALA 590 Cb -0.45 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1r33 s ALA 590 CO 0.49 -0.37 -0.12 -1.14 0.00 0.00 0.00 175.76 174.62 1r33 s GLN 591 N -3.94 1.05 -0.10 0.00 0.74 0.07 -1.15 119.66 116.33 1r33 s GLN 591 Ca 0.16 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1r33 s GLN 591 Cb 0.07 -0.99 -0.02 0.00 1.10 0.00 0.00 33.01 33.17 1r33 s GLN 591 CO -0.03 0.22 -0.11 0.08 -0.55 0.00 0.00 175.29 174.91 1r33 s VAL 592 N -0.13 3.33 0.20 1.34 1.01 0.08 -0.38 120.40 125.86 1r33 s VAL 592 Ca 0.02 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1r33 s VAL 592 Cb -0.06 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1r33 s VAL 592 CO -0.00 0.55 -0.05 -0.44 0.00 0.00 0.00 175.10 175.16 1r33 s SER 593 N -0.16 1.94 0.95 3.32 0.01 -0.30 -1.62 113.70 117.85 1r33 s SER 593 Ca 0.01 -1.13 -0.14 0.00 1.31 0.00 0.00 55.95 55.99 1r33 s SER 593 Cb -0.13 -0.02 0.17 0.00 0.21 0.00 0.00 66.02 66.25 1r33 s SER 593 CO 0.03 -0.41 1.19 -2.84 0.41 0.00 0.00 173.24 171.62 1r33 s PRO 594 N -3.80 0.76 -0.38 12.44 0.02 -1.26 -0.52 135.00 142.27 1r33 s PRO 594 Ca 0.24 0.01 -0.12 0.00 0.02 0.00 0.00 61.00 61.15 1r33 s PRO 594 Cb 0.04 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.76 1r33 s PRO 594 CO 0.06 -2.40 0.22 0.08 -0.33 0.00 0.00 177.00 174.63 1r33 s VAL 595 N -3.46 4.69 -0.18 3.83 1.01 -1.26 -4.36 120.40 120.67 1r33 s VAL 595 Ca 0.67 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1r33 s VAL 595 Cb -0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1r33 s VAL 595 CO 0.53 -0.23 0.08 0.26 0.00 0.00 0.00 175.10 175.73 1r33 s TRP 596 N 1.58 3.29 -0.03 5.22 0.52 -1.26 -1.79 118.94 126.47 1r33 s TRP 596 Ca 0.03 0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.34 1r33 s TRP 596 Cb -0.19 -2.09 -0.01 0.00 -1.15 0.00 0.00 33.47 30.03 1r33 s TRP 596 CO 0.07 0.21 -0.19 -1.54 0.02 0.00 0.00 176.95 175.52 1r33 s SER 597 N 0.31 2.29 0.03 2.95 1.04 -0.24 -4.94 113.70 115.15 1r33 s SER 597 Ca 0.05 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 1r33 s SER 597 Cb -0.12 -0.49 -0.06 0.00 0.10 0.00 0.00 66.02 65.45 1r33 s SER 597 CO -0.00 0.19 0.42 0.26 0.98 0.00 0.00 173.24 175.10 1r33 s TRP 598 N -0.17 3.70 -0.04 5.02 0.52 -1.26 -0.02 118.94 126.69 1r33 s TRP 598 Ca 0.01 0.97 0.03 0.00 0.02 0.00 0.00 56.10 57.13 1r33 s TRP 598 Cb -0.10 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.94 1r33 s TRP 598 CO 0.01 0.60 -0.12 -1.01 0.02 0.00 0.00 176.95 176.45 1r33 s HIS 599 N -1.17 1.26 -0.52 -1.98 3.76 -0.38 -4.97 115.29 111.29 1r33 s HIS 599 Ca 0.27 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.61 1r33 s HIS 599 Cb -0.16 -0.88 0.05 0.00 1.11 0.00 0.00 32.58 32.69 1r33 s HIS 599 CO 0.15 -0.14 0.78 -1.58 -0.85 0.00 0.00 174.74 173.10 1r33 s HIS 600 N 0.21 2.92 -0.60 1.40 2.46 -1.26 -2.09 115.29 118.32 1r33 s HIS 600 Ca -0.05 -0.23 -0.28 0.00 0.47 0.00 0.00 55.06 54.97 1r33 s HIS 600 Cb -0.10 -3.79 0.02 0.00 -0.13 0.00 0.00 32.58 28.58 1r33 s HIS 600 CO 0.01 -1.17 1.31 0.34 -2.47 0.00 0.00 174.74 172.76 1r33 s ASP 601 N 2.70 6.25 0.00 9.88 -1.08 0.07 -4.88 116.67 129.62 1r33 s ASP 601 Ca 0.23 0.08 0.16 0.00 -0.52 0.00 0.00 52.55 52.50 1r33 s ASP 601 Cb -0.15 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.44 1r33 s ASP 601 CO 0.16 -1.65 1.49 1.07 0.52 0.00 0.00 175.17 176.75 1r33 n THR 602 N 6.70 0.85 -0.10 1.71 5.66 -1.26 -0.55 114.28 127.29 1r33 n THR 602 Ca 0.09 0.21 -0.16 0.00 -3.05 0.00 0.00 64.05 61.14 1r33 n THR 602 Cb 0.49 -0.95 -0.07 0.00 -1.55 0.00 0.00 70.33 68.25 1r33 n THR 602 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1r33 n LEU 603 N -1.45 1.86 0.00 1.09 4.77 -1.26 -4.41 117.00 117.60 1r33 n LEU 603 Ca 0.05 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1r33 n LEU 603 Cb 0.17 -0.90 0.50 0.00 -2.33 0.00 0.00 43.42 40.86 1r33 n LEU 603 CO 0.14 0.03 0.81 0.35 -1.33 0.00 0.00 177.39 177.38 1r33 n THR 604 N -4.47 0.02 -3.55 -5.08 -2.24 -1.22 -4.94 114.28 92.80 1r33 n THR 604 Ca -0.25 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1r33 n THR 604 Cb 0.56 -0.28 0.08 0.00 -2.10 0.00 0.00 70.33 68.59 1r33 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1r33 n LYS 605 N -1.53 -7.61 -4.21 -0.78 4.76 0.28 -5.01 118.16 104.07 1r33 n LYS 605 Ca 0.06 0.84 -0.12 0.00 -2.87 0.00 0.00 58.31 56.22 1r33 n LYS 605 Cb 0.34 -5.88 -0.10 0.00 -1.84 0.00 0.00 35.03 27.55 1r33 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r33 s THR 606 N -3.33 0.70 -0.26 -0.18 -4.23 -1.19 -4.98 115.64 102.17 1r33 s THR 606 Ca 0.42 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1r33 s THR 606 Cb -0.18 -1.94 0.02 0.00 1.34 0.00 0.00 72.50 71.74 1r33 s THR 606 CO 0.73 -0.64 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.50 1r33 s ILE 607 N -3.64 3.00 0.07 2.99 1.01 -1.26 -0.75 121.20 122.63 1r33 s ILE 607 Ca 0.19 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1r33 s ILE 607 Cb 0.06 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1r33 s ILE 607 CO 0.00 0.17 0.11 -1.38 0.00 0.00 0.00 174.94 173.85 1r33 s HIS 608 N 1.34 0.27 0.12 3.97 -3.43 -0.89 -4.36 115.29 112.31 1r33 s HIS 608 Ca 0.00 -0.73 -0.08 0.00 -0.80 0.00 0.00 55.06 53.45 1r33 s HIS 608 Cb -0.17 -0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 30.75 1r33 s HIS 608 CO -0.04 -0.48 0.41 -1.25 -2.00 0.00 0.00 174.74 171.39 1r33 s PRO 609 N -3.79 3.72 -0.02 -0.38 0.04 -1.26 -1.25 135.00 132.05 1r33 s PRO 609 Ca 0.05 0.10 0.07 0.00 0.04 0.00 0.00 61.00 61.26 1r33 s PRO 609 Cb 0.05 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 1r33 s PRO 609 CO -0.10 0.50 -0.22 -0.65 0.04 0.00 0.00 177.00 176.57 1r33 s GLN 610 N -2.25 2.22 0.03 4.56 -0.21 0.97 -4.92 119.66 120.06 1r33 s GLN 610 Ca 0.37 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1r33 s GLN 610 Cb -0.13 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1r33 s GLN 610 CO 0.20 0.58 0.10 0.20 -2.12 0.00 0.00 175.29 174.26 1r33 s GLY 611 N -0.70 2.05 0.37 3.09 0.00 -1.26 -1.08 107.32 109.80 1r33 s GLY 611 Ca 0.11 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 1r33 s GLY 611 CO -0.00 -0.82 1.04 -0.45 0.00 0.00 0.00 173.10 172.87 1r33 s SER 612 N -2.02 6.91 0.00 1.64 0.15 -0.74 -4.92 113.70 114.72 1r33 s SER 612 Ca 0.26 2.02 0.16 0.00 0.70 0.00 0.00 55.95 59.09 1r33 s SER 612 Cb -0.12 -2.59 0.35 0.00 -1.71 0.00 0.00 66.02 61.95 1r33 s SER 612 CO 0.18 -0.38 1.26 0.35 1.20 0.00 0.00 173.24 175.85 1r33 n THR 613 N 0.15 0.69 -0.41 6.45 -2.24 -1.26 -4.54 114.28 113.11 1r33 n THR 613 Ca 0.04 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1r33 n THR 613 Cb 0.49 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1r33 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1r33 n THR 614 N 0.97 0.00 -4.23 4.28 -2.24 -1.26 -4.16 114.28 107.64 1r33 n THR 614 Ca 0.15 -0.14 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1r33 n THR 614 Cb 0.48 1.41 -0.13 0.00 -2.10 0.00 0.00 70.33 69.99 1r33 n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r33 s LYS 615 N -0.12 0.72 0.08 -0.78 1.02 -1.26 -4.51 119.74 114.89 1r33 s LYS 615 Ca 0.00 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 1r33 s LYS 615 Cb 0.00 -0.66 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1r33 s LYS 615 CO 0.00 0.16 0.02 0.71 -0.92 0.00 0.00 175.35 175.32 1r33 s TYR 616 N -0.91 0.59 -0.21 3.18 1.51 -0.11 -4.07 117.35 117.33 1r33 s TYR 616 Ca -0.02 -1.07 -0.08 0.00 -1.01 0.00 0.00 57.07 54.89 1r33 s TYR 616 Cb -0.08 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1r33 s TYR 616 CO 0.01 -0.44 0.08 1.03 -1.11 0.00 0.00 175.55 175.12 1r33 s ARG 617 N -3.95 3.92 -0.11 -0.62 0.52 0.32 -0.74 118.95 118.29 1r33 s ARG 617 Ca 0.12 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1r33 s ARG 617 Cb 0.07 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.22 1r33 s ARG 617 CO -0.06 0.13 -0.04 -1.50 0.02 0.00 0.00 175.30 173.84 1r33 s ILE 618 N 0.78 3.90 -0.04 1.52 2.07 -0.03 -1.15 121.20 128.25 1r33 s ILE 618 Ca 0.04 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.93 1r33 s ILE 618 Cb -0.13 -2.65 0.00 0.00 0.13 0.00 0.00 42.46 39.81 1r33 s ILE 618 CO 0.02 0.56 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.84 1r33 s ILE 619 N -0.35 1.21 0.17 2.00 1.01 0.49 -1.09 121.20 124.64 1r33 s ILE 619 Ca 0.06 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 1r33 s ILE 619 Cb -0.12 -1.06 0.04 0.00 0.01 0.00 0.00 42.46 41.33 1r33 s ILE 619 CO 0.02 0.36 0.51 0.72 0.00 0.00 0.00 174.94 176.55 1r33 s PHE 620 N 0.17 -0.24 -0.29 3.97 -0.12 -0.73 -0.75 117.98 119.99 1r33 s PHE 620 Ca -0.05 -0.07 -0.25 0.00 -0.05 0.00 0.00 56.93 56.51 1r33 s PHE 620 Cb -0.11 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 1r33 s PHE 620 CO 0.02 -0.85 0.85 0.21 -0.05 0.00 0.00 175.22 175.40 1r33 s LYS 621 N -3.83 4.03 0.02 1.99 2.20 -1.26 -1.01 119.74 121.88 1r33 s LYS 621 Ca 0.06 0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 56.34 1r33 s LYS 621 Cb -0.00 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1r33 s LYS 621 CO -0.07 -0.69 0.32 0.00 -0.36 0.00 0.00 175.35 174.55 1r33 s ALA 622 N 3.06 3.80 -0.17 3.13 0.00 -0.30 -4.92 121.76 126.36 1r33 s ALA 622 Ca 0.35 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1r33 s ALA 622 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.85 1r33 s ALA 622 CO 0.12 0.60 -0.15 0.50 0.00 0.00 0.00 175.76 176.83 1r33 s ARG 623 N -1.69 2.43 -0.01 0.00 3.52 -1.26 -1.76 118.95 120.17 1r33 s ARG 623 Ca 0.28 -0.73 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1r33 s ARG 623 Cb -0.14 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 1r33 s ARG 623 CO 0.16 -0.29 -0.17 0.08 -0.81 0.00 0.00 175.30 174.27 1r33 s VAL 624 N 1.39 1.37 0.95 7.11 1.01 -0.14 -4.80 120.40 127.30 1r33 s VAL 624 Ca 0.03 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1r33 s VAL 624 Cb -0.14 -1.15 0.16 0.00 0.00 0.00 0.00 36.38 35.26 1r33 s VAL 624 CO -0.11 0.38 1.10 -2.84 0.00 0.00 0.00 175.10 173.63 1r33 s PRO 625 N -0.44 0.78 0.28 2.72 0.02 -1.26 -1.80 135.00 135.30 1r33 s PRO 625 Ca 0.07 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 1r33 s PRO 625 Cb -0.07 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.61 1r33 s PRO 625 CO -0.01 -2.67 1.59 -2.14 -0.33 0.00 0.00 177.00 173.44 1r33 s PRO 626 N -4.70 4.13 -1.65 5.54 0.02 -1.26 -1.85 135.00 135.23 1r33 s PRO 626 Ca 0.66 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 64.12 1r33 s PRO 626 Cb -0.21 -3.03 0.10 0.00 0.02 0.00 0.00 34.50 31.38 1r33 s PRO 626 CO 0.59 -0.62 0.45 -1.33 -0.33 0.00 0.00 177.00 175.76 1r33 n MET 627 N 2.29 -1.97 -1.59 5.54 2.81 -0.46 -4.75 117.12 118.99 1r33 n MET 627 Ca 0.08 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1r33 n MET 627 Cb 0.37 -4.47 0.00 0.00 -0.71 0.00 0.00 33.22 28.41 1r33 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r33 n GLY 628 N -1.76 4.40 3.10 3.03 0.00 -0.77 -4.82 105.19 108.38 1r33 n GLY 628 Ca -0.10 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1r33 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r33 s LEU 629 N 0.00 2.36 -0.09 0.99 1.43 -0.11 -1.29 118.68 121.97 1r33 s LEU 629 Ca 0.00 -0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1r33 s LEU 629 Cb 0.00 -0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.14 1r33 s LEU 629 CO 0.00 -0.32 0.20 0.00 0.23 0.00 0.00 176.35 176.47 1r33 s ALA 630 N -2.30 -0.46 -0.09 4.21 0.00 -0.59 -1.71 121.76 120.83 1r33 s ALA 630 Ca -0.01 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1r33 s ALA 630 Cb -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1r33 s ALA 630 CO -0.02 -0.16 0.10 0.99 0.00 0.00 0.00 175.76 176.67 1r33 s THR 631 N 0.96 5.09 0.17 0.00 2.01 -0.09 -1.14 115.64 122.65 1r33 s THR 631 Ca -0.07 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1r33 s THR 631 Cb -0.09 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1r33 s THR 631 CO -0.06 0.56 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.08 1r33 s TYR 632 N -1.04 1.26 -0.07 4.92 1.51 0.03 -3.47 117.35 120.50 1r33 s TYR 632 Ca 0.17 -0.92 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 1r33 s TYR 632 Cb -0.12 -0.70 0.01 0.00 -0.11 0.00 0.00 41.96 41.04 1r33 s TYR 632 CO 0.06 -0.09 -0.14 0.08 -1.11 0.00 0.00 175.55 174.35 1r33 s VAL 633 N -3.51 1.27 -0.20 0.71 1.01 -0.38 -0.94 120.40 118.35 1r33 s VAL 633 Ca 0.21 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1r33 s VAL 633 Cb 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1r33 s VAL 633 CO 0.03 0.38 0.07 -0.76 0.00 0.00 0.00 175.10 174.83 1r33 s LEU 634 N 0.59 3.74 -0.02 3.92 1.43 -0.11 -1.69 118.68 126.54 1r33 s LEU 634 Ca -0.15 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1r33 s LEU 634 Cb -0.16 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1r33 s LEU 634 CO 0.04 0.11 -0.16 -0.89 0.23 0.00 0.00 176.35 175.69 1r33 s THR 635 N 0.76 1.28 0.34 5.49 2.01 -0.24 -0.99 115.64 124.29 1r33 s THR 635 Ca 0.04 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1r33 s THR 635 Cb -0.13 -1.09 -0.07 0.00 0.01 0.00 0.00 72.50 71.22 1r33 s THR 635 CO 0.02 0.37 0.69 -0.51 -0.69 0.00 0.00 174.62 174.50 1r33 s ILE 636 N -0.19 4.83 0.16 1.82 2.07 -0.49 -0.81 121.20 128.58 1r33 s ILE 636 Ca 0.02 0.56 -0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1r33 s ILE 636 Cb -0.08 -3.69 -0.04 0.00 0.13 0.00 0.00 42.46 38.78 1r33 s ILE 636 CO 0.00 -0.34 0.07 -0.94 -1.91 0.00 0.00 174.94 171.82 1r33 s SER 637 N -2.85 0.43 0.01 4.50 1.04 0.06 -4.93 113.70 111.96 1r33 s SER 637 Ca 0.50 -1.25 0.27 0.00 0.48 0.00 0.00 55.95 55.94 1r33 s SER 637 Cb -0.10 0.29 1.12 0.00 0.10 0.00 0.00 66.02 67.42 1r33 s SER 637 CO 0.27 -0.73 1.85 -0.90 0.98 0.00 0.00 173.24 174.70 1r33 n ASP 638 N -0.17 0.05 -2.91 7.02 5.68 -1.26 -4.72 116.55 120.24 1r33 n ASP 638 Ca -0.04 0.51 -0.14 0.00 -0.50 0.00 0.00 54.79 54.62 1r33 n ASP 638 Cb 0.64 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 1r33 n ASP 638 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1r33 n SER 639 N -1.55 -1.42 -4.68 -1.12 3.41 -1.26 -5.05 113.62 101.94 1r33 n SER 639 Ca 0.06 -2.81 -0.49 0.00 -0.26 0.00 0.00 58.87 55.37 1r33 n SER 639 Cb 0.32 2.60 -0.05 0.00 -0.26 0.00 0.00 64.21 66.82 1r33 n SER 639 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r33 n LYS 640 N -0.56 2.04 -2.35 4.33 5.02 -1.26 -4.84 118.16 120.54 1r33 n LYS 640 Ca -0.00 0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 1r33 n LYS 640 Cb 0.57 -2.59 -0.01 0.00 -0.02 0.00 0.00 35.03 32.98 1r33 n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1r33 s PRO 641 N 4.10 3.59 0.41 1.97 0.02 -1.26 -4.97 135.00 138.86 1r33 s PRO 641 Ca 0.94 1.57 0.07 0.00 0.02 0.00 0.00 61.00 63.60 1r33 s PRO 641 Cb -0.74 -2.13 0.86 0.00 0.02 0.00 0.00 34.50 32.51 1r33 s PRO 641 CO 0.53 -0.64 2.05 1.49 -0.33 0.00 0.00 177.00 180.10 1r33 h GLU 642 N 1.52 0.55 -0.46 5.54 4.81 -1.98 -3.04 114.58 121.52 1r33 h GLU 642 Ca -0.50 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1r33 h GLU 642 Cb 1.25 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1r33 h GLU 642 CO 0.58 0.36 0.04 0.72 -0.73 0.00 0.00 179.01 179.98 1r33 n HIS 643 N -4.47 1.62 -4.84 0.92 8.25 -1.26 -4.90 115.22 110.53 1r33 n HIS 643 Ca 0.04 -0.92 -0.29 0.00 -0.26 0.00 0.00 57.72 56.29 1r33 n HIS 643 Cb 0.08 -0.46 -0.17 0.00 1.12 0.00 0.00 29.99 30.56 1r33 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1r33 s THR 644 N -2.86 1.63 0.36 1.59 2.01 -1.15 -0.53 115.64 116.69 1r33 s THR 644 Ca 0.49 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.81 1r33 s THR 644 Cb 0.39 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1r33 s THR 644 CO 0.12 0.47 0.17 -0.94 -0.69 0.00 0.00 174.62 173.74 1r33 s SER 645 N 0.58 4.68 -0.07 3.53 1.04 -0.30 -4.69 113.70 118.49 1r33 s SER 645 Ca -0.15 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.51 1r33 s SER 645 Cb -0.17 -0.68 -0.00 0.00 0.10 0.00 0.00 66.02 65.28 1r33 s SER 645 CO 0.05 -0.37 -0.20 -0.31 0.98 0.00 0.00 173.24 173.38 1r33 s TYR 646 N -2.46 2.11 0.51 5.02 1.51 -1.26 -0.74 117.35 122.04 1r33 s TYR 646 Ca 0.39 -0.72 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 1r33 s TYR 646 Cb -0.02 -1.42 -0.07 0.00 -0.11 0.00 0.00 41.96 40.34 1r33 s TYR 646 CO 0.23 -0.27 1.06 0.00 -1.11 0.00 0.00 175.55 175.47 1r33 s ALA 647 N 0.16 2.81 0.42 3.71 0.00 -0.64 -4.93 121.76 123.30 1r33 s ALA 647 Ca -0.10 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1r33 s ALA 647 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1r33 s ALA 647 CO 0.05 -0.49 0.68 -1.54 0.00 0.00 0.00 175.76 174.46 1r33 s SER 648 N -2.01 6.21 -0.02 0.00 1.04 -0.29 -4.86 113.70 113.77 1r33 s SER 648 Ca 0.68 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.77 1r33 s SER 648 Cb -0.18 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 63.89 1r33 s SER 648 CO 0.24 -0.49 -0.01 0.20 0.98 0.00 0.00 173.24 174.16 1r33 s ASN 649 N -4.09 0.36 -0.13 7.02 0.01 -1.26 -1.05 114.94 115.80 1r33 s ASN 649 Ca 0.44 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1r33 s ASN 649 Cb -0.10 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.43 1r33 s ASN 649 CO 0.40 -0.06 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.61 1r33 s LEU 650 N 0.69 1.41 -0.31 0.60 2.96 0.87 -0.75 118.68 124.16 1r33 s LEU 650 Ca -0.07 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1r33 s LEU 650 Cb -0.10 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1r33 s LEU 650 CO -0.01 -0.09 0.17 -0.22 -1.32 0.00 0.00 176.35 174.88 1r33 s LEU 651 N 1.57 4.15 -0.29 -0.68 1.98 0.79 -0.55 118.68 125.65 1r33 s LEU 651 Ca 0.04 -0.41 -0.09 0.00 -2.89 0.00 0.00 54.13 50.78 1r33 s LEU 651 Cb -0.13 -2.05 -0.02 0.00 0.66 0.00 0.00 46.19 44.66 1r33 s LEU 651 CO -0.09 -0.18 0.13 -0.76 -1.89 0.00 0.00 176.35 173.56 1r33 s LEU 652 N 1.66 3.90 -0.22 -0.68 1.43 0.72 -2.06 118.68 123.43 1r33 s LEU 652 Ca 0.05 -0.40 -0.34 0.00 -1.03 0.00 0.00 54.13 52.42 1r33 s LEU 652 Cb -0.17 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.22 1r33 s LEU 652 CO 0.08 -0.14 1.24 0.00 0.23 0.00 0.00 176.35 177.76 1r33 s ARG 653 N 1.62 0.25 0.45 1.70 1.70 -0.04 -1.87 118.95 122.77 1r33 s ARG 653 Ca 0.05 -0.05 -0.08 0.00 -0.47 0.00 0.00 55.73 55.18 1r33 s ARG 653 Cb -0.16 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.28 1r33 s ARG 653 CO 0.06 -0.10 0.79 0.15 -1.08 0.00 0.00 175.30 175.12 1r33 s LYS 654 N -1.96 3.66 -1.12 3.89 1.02 -1.26 -4.29 119.74 119.68 1r33 s LYS 654 Ca 0.08 0.36 -0.01 0.00 0.02 0.00 0.00 55.97 56.43 1r33 s LYS 654 Cb -0.01 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1r33 s LYS 654 CO -0.05 -0.15 0.94 -1.71 -0.92 0.00 0.00 175.35 173.47 1r33 n ASN 655 N -1.83 -2.98 -4.87 2.83 5.15 -1.26 -4.98 115.26 107.32 1r33 n ASN 655 Ca 0.02 -0.61 -0.31 0.00 -0.60 0.00 0.00 54.58 53.07 1r33 n ASN 655 Cb 0.54 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.83 1r33 n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1r33 s PRO 656 N -5.10 3.64 0.15 1.20 0.04 -1.26 -5.09 135.00 128.58 1r33 s PRO 656 Ca 0.09 0.77 0.06 0.00 0.04 0.00 0.00 61.00 61.96 1r33 s PRO 656 Cb -0.01 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1r33 s PRO 656 CO 0.70 -0.53 -0.14 0.95 0.04 0.00 0.00 177.00 178.02 1r33 s THR 657 N -3.11 1.44 0.80 1.26 -4.23 -1.26 -5.13 115.64 105.41 1r33 s THR 657 Ca 0.55 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1r33 s THR 657 Cb -0.11 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.02 1r33 s THR 657 CO 0.51 -0.50 0.70 -1.54 -0.54 0.00 0.00 174.62 173.25 1r33 n SER 658 N 0.20 -0.75 -3.36 3.99 3.41 -1.26 -5.01 113.62 110.84 1r33 n SER 658 Ca -0.13 0.53 -0.25 0.00 -0.26 0.00 0.00 58.87 58.76 1r33 n SER 658 Cb 0.58 -1.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.14 1r33 n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r33 s LEU 659 N -2.01 1.00 0.53 1.04 1.43 -1.26 -5.10 118.68 114.32 1r33 s LEU 659 Ca 0.66 -2.67 -0.19 0.00 -1.03 0.00 0.00 54.13 50.90 1r33 s LEU 659 Cb -0.30 -0.20 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 1r33 s LEU 659 CO 0.58 -0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.88 1r33 s PRO 660 N 0.45 3.51 -0.20 1.29 0.04 -1.26 -4.60 135.00 134.23 1r33 s PRO 660 Ca 0.28 1.44 0.16 0.00 0.04 0.00 0.00 61.00 62.92 1r33 s PRO 660 Cb -0.04 -2.04 0.45 0.00 0.04 0.00 0.00 34.50 32.91 1r33 s PRO 660 CO -0.13 -0.69 1.17 1.28 0.04 0.00 0.00 177.00 178.68 1r33 n LEU 661 N -1.32 2.66 0.00 -3.56 4.77 -1.26 -4.72 117.00 113.56 1r33 n LEU 661 Ca 0.10 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.58 1r33 n LEU 661 Cb 0.52 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1r33 n LEU 661 CO 0.42 1.31 0.00 0.61 -1.33 0.00 0.00 177.39 178.40 1r33 n GLY 662 N -0.52 3.38 0.00 -0.72 0.00 -1.26 -1.76 105.19 104.31 1r33 n GLY 662 Ca 0.20 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1r33 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r33 n GLN 663 N 14.00 0.59 -1.64 1.61 6.02 -1.26 -4.84 117.38 131.85 1r33 n GLN 663 Ca 0.00 0.01 -0.54 0.00 -0.01 0.00 0.00 57.00 56.46 1r33 n GLN 663 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 1r33 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1r33 n TYR 664 N -1.19 1.78 0.67 1.08 9.36 -0.72 -4.82 117.16 123.32 1r33 n TYR 664 Ca 0.17 0.55 0.07 0.00 3.32 0.00 0.00 57.90 62.01 1r33 n TYR 664 Cb 0.19 -2.40 0.37 0.00 -0.63 0.00 0.00 39.34 36.86 1r33 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1r33 n PRO 665 N 3.78 0.17 -4.79 2.98 -0.04 -1.26 -4.73 135.00 131.11 1r33 n PRO 665 Ca 0.21 0.16 -0.29 0.00 -0.04 0.00 0.00 63.50 63.54 1r33 n PRO 665 Cb 0.18 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.97 1r33 n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1r33 s GLU 666 N -2.65 2.50 0.33 0.54 2.56 -1.26 -5.11 118.70 115.61 1r33 s GLU 666 Ca 0.13 -0.68 -0.27 0.00 0.00 0.00 0.00 54.97 54.14 1r33 s GLU 666 Cb 0.10 -2.00 -0.09 0.00 2.00 0.00 0.00 34.13 34.14 1r33 s GLU 666 CO 0.24 0.05 1.09 -0.51 -0.56 0.00 0.00 175.26 175.57 1r33 s ASP 667 N 0.66 7.05 0.40 -1.70 1.01 -1.26 -4.93 116.67 117.89 1r33 s ASP 667 Ca -0.13 2.21 -0.26 0.00 0.71 0.00 0.00 52.55 55.08 1r33 s ASP 667 Cb -0.16 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.06 1r33 s ASP 667 CO 0.03 -0.30 1.30 -0.69 0.21 0.00 0.00 175.17 175.73 1r33 s VAL 668 N -1.33 2.63 0.16 -1.27 1.01 -1.26 -4.71 120.40 115.63 1r33 s VAL 668 Ca 0.50 0.57 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1r33 s VAL 668 Cb -0.29 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1r33 s VAL 668 CO 0.37 0.09 0.07 -0.54 0.00 0.00 0.00 175.10 175.09 1r33 s LYS 669 N -2.19 2.66 0.22 2.72 1.02 0.07 -5.00 119.74 119.25 1r33 s LYS 669 Ca 0.56 -0.97 0.07 0.00 0.02 0.00 0.00 55.97 55.65 1r33 s LYS 669 Cb -0.38 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1r33 s LYS 669 CO 0.49 0.48 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.23 1r33 s PHE 670 N -1.71 1.71 -0.02 3.18 0.40 -1.26 -0.15 117.98 120.12 1r33 s PHE 670 Ca 0.29 -0.65 -0.30 0.00 -0.60 0.00 0.00 56.93 55.66 1r33 s PHE 670 Cb -0.10 -0.86 0.11 0.00 0.51 0.00 0.00 43.02 42.68 1r33 s PHE 670 CO 0.21 0.28 1.19 0.20 0.70 0.00 0.00 175.22 177.79 1r33 s GLY 671 N -3.33 -0.36 0.52 4.36 0.00 -0.88 -4.90 107.32 102.73 1r33 s GLY 671 Ca 0.24 0.81 -0.18 0.00 0.00 0.00 0.00 44.72 45.60 1r33 s GLY 671 CO 0.08 0.20 1.01 0.99 0.00 0.00 0.00 173.10 175.37 1r33 s ASP 672 N -2.77 6.42 0.31 1.64 1.01 -1.26 -0.86 116.67 121.16 1r33 s ASP 672 Ca 0.12 1.71 -0.27 0.00 0.71 0.00 0.00 52.55 54.82 1r33 s ASP 672 Cb 0.02 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.29 1r33 s ASP 672 CO -0.03 -0.72 0.91 -2.65 0.21 0.00 0.00 175.17 172.88 1r33 n PRO 673 N -1.43 1.13 -3.48 8.23 -0.02 -1.26 -4.68 135.00 133.49 1r33 n PRO 673 Ca 0.08 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1r33 n PRO 673 Cb 0.53 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1r33 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1r33 s ARG 674 N -1.56 0.99 0.54 -0.52 1.70 -1.26 -5.00 118.95 113.84 1r33 s ARG 674 Ca 0.60 -0.31 -0.21 0.00 -0.47 0.00 0.00 55.73 55.34 1r33 s ARG 674 Cb -0.70 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.09 1r33 s ARG 674 CO 0.59 -0.42 1.28 -1.21 -1.08 0.00 0.00 175.30 174.46 1r33 s GLU 675 N -3.14 3.21 0.05 3.89 2.02 -1.26 -4.14 118.70 119.32 1r33 s GLU 675 Ca 0.02 2.05 0.04 0.00 0.02 0.00 0.00 54.97 57.10 1r33 s GLU 675 Cb -0.01 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 1r33 s GLU 675 CO -0.09 -1.08 -0.11 0.42 0.02 0.00 0.00 175.26 174.43 1r33 s ILE 676 N -1.41 0.84 -0.01 -1.63 -1.09 -0.88 -4.97 121.20 112.04 1r33 s ILE 676 Ca 0.71 -1.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 1r33 s ILE 676 Cb -0.36 -0.82 -0.00 0.00 -1.58 0.00 0.00 42.46 39.70 1r33 s ILE 676 CO 0.42 -0.20 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.28 1r33 s SER 677 N -1.41 1.08 0.04 3.58 0.15 -1.26 -0.08 113.70 115.79 1r33 s SER 677 Ca -0.04 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1r33 s SER 677 Cb -0.09 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1r33 s SER 677 CO 0.01 0.10 -0.05 -0.76 1.20 0.00 0.00 173.24 173.74 1r33 s LEU 678 N -0.12 2.30 -0.13 3.45 1.43 0.22 -4.98 118.68 120.85 1r33 s LEU 678 Ca 0.02 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1r33 s LEU 678 Cb -0.05 -0.00 0.06 0.00 0.03 0.00 0.00 46.19 46.24 1r33 s LEU 678 CO -0.00 -0.32 0.29 -0.60 0.23 0.00 0.00 176.35 175.95 1r33 s ARG 679 N -2.02 0.20 -0.13 1.70 3.52 -1.26 -0.59 118.95 120.38 1r33 s ARG 679 Ca -0.08 0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1r33 s ARG 679 Cb -0.06 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1r33 s ARG 679 CO -0.02 -0.24 -0.02 0.08 -0.81 0.00 0.00 175.30 174.29 1r33 s VAL 680 N 2.06 4.11 0.00 7.11 1.01 -1.26 -4.99 120.40 128.44 1r33 s VAL 680 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1r33 s VAL 680 Cb -0.11 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1r33 s VAL 680 CO -0.09 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1r33 n GLY 681 N 2.95 2.81 1.30 4.51 0.00 -1.26 -1.78 105.19 113.72 1r33 n GLY 681 Ca -0.18 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1r33 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r33 n ASN 682 N 1.21 4.11 -3.13 1.61 3.02 -1.26 -4.98 115.26 115.84 1r33 n ASN 682 Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 1r33 n ASN 682 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1r33 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r33 n GLY 683 N 1.11 -2.14 3.77 7.41 0.00 -0.73 -4.97 105.19 109.64 1r33 n GLY 683 Ca 0.23 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1r33 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r33 s PRO 684 N -1.03 2.30 -0.20 1.61 0.04 -1.26 -4.81 135.00 131.65 1r33 s PRO 684 Ca 0.00 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 1r33 s PRO 684 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1r33 s PRO 684 CO 0.00 -1.61 0.02 0.99 0.04 0.00 0.00 177.00 176.44 1r33 s THR 685 N -2.91 4.19 -0.10 1.26 2.01 0.23 -4.28 115.64 116.04 1r33 s THR 685 Ca 0.61 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 1r33 s THR 685 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 1r33 s THR 685 CO 0.56 0.42 -0.08 -0.76 -0.69 0.00 0.00 174.62 174.07 1r33 s LEU 686 N 0.94 3.09 -0.05 4.42 1.43 0.24 -0.68 118.68 128.07 1r33 s LEU 686 Ca 0.02 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1r33 s LEU 686 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1r33 s LEU 686 CO 0.02 0.28 -0.11 0.00 0.23 0.00 0.00 176.35 176.78 1r33 s ALA 687 N -0.34 2.82 0.13 4.21 0.00 -0.68 -0.61 121.76 127.30 1r33 s ALA 687 Ca 0.05 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.14 1r33 s ALA 687 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1r33 s ALA 687 CO 0.02 0.57 -0.21 -0.06 0.00 0.00 0.00 175.76 176.08 1r33 s PHE 688 N -0.80 1.91 0.90 0.00 0.40 0.88 -0.08 117.98 121.20 1r33 s PHE 688 Ca 0.12 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 55.91 1r33 s PHE 688 Cb -0.11 -1.02 0.13 0.00 0.51 0.00 0.00 43.02 42.54 1r33 s PHE 688 CO 0.02 0.28 1.16 -1.54 0.70 0.00 0.00 175.22 175.83 1r33 s SER 689 N -2.16 3.64 0.00 1.36 1.04 0.58 -2.07 113.70 116.09 1r33 s SER 689 Ca 0.11 0.86 0.11 0.00 0.48 0.00 0.00 55.95 57.50 1r33 s SER 689 Cb -0.09 -1.36 0.48 0.00 0.10 0.00 0.00 66.02 65.15 1r33 s SER 689 CO 0.05 -2.46 1.33 -1.84 0.98 0.00 0.00 173.24 171.30 1r33 n GLU 690 N -3.69 0.04 -0.37 4.02 0.28 -1.26 -0.98 120.64 118.68 1r33 n GLU 690 Ca 0.08 0.28 0.09 0.00 -0.16 0.00 0.00 57.16 57.45 1r33 n GLU 690 Cb 0.60 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.24 1r33 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1r33 n GLN 691 N -1.45 2.66 -1.00 3.44 6.02 -1.26 -4.40 117.38 121.38 1r33 n GLN 691 Ca 0.03 -2.22 -0.00 0.00 -0.01 0.00 0.00 57.00 54.80 1r33 n GLN 691 Cb 0.12 -1.56 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 1r33 n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r33 n GLY 692 N 1.32 0.43 3.64 1.08 0.00 -0.15 -4.90 105.19 106.62 1r33 n GLY 692 Ca 0.20 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1r33 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r33 s LEU 693 N -0.02 3.40 0.31 0.99 1.43 -1.26 -4.76 118.68 118.78 1r33 s LEU 693 Ca 0.00 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 1r33 s LEU 693 Cb 0.00 -1.79 -0.13 0.00 0.03 0.00 0.00 46.19 44.30 1r33 s LEU 693 CO 0.00 0.36 1.27 -0.11 0.23 0.00 0.00 176.35 178.10 1r33 n LEU 694 N 2.06 3.20 0.00 1.79 7.94 -1.26 -0.30 117.00 130.42 1r33 n LEU 694 Ca -0.18 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1r33 n LEU 694 Cb 0.53 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.04 1r33 n LEU 694 CO 0.28 -0.62 -0.34 2.29 -1.11 0.00 0.00 177.39 177.89 1r33 n LYS 695 N 0.86 2.07 -3.47 1.96 2.85 0.88 -2.18 118.16 121.13 1r33 n LYS 695 Ca 0.07 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.19 1r33 n LYS 695 Cb 0.35 -0.84 -0.03 0.00 -0.65 0.00 0.00 35.03 33.85 1r33 n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1r33 s SER 696 N -1.55 -0.57 -0.07 -5.58 1.04 -1.12 -1.63 113.70 104.22 1r33 s SER 696 Ca 0.00 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1r33 s SER 696 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1r33 s SER 696 CO 0.00 -0.79 -0.09 -0.63 0.98 0.00 0.00 173.24 172.72 1r33 s ILE 697 N -2.74 0.92 -0.30 -1.02 1.01 -0.56 -1.69 121.20 116.83 1r33 s ILE 697 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1r33 s ILE 697 Cb -0.01 -0.88 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1r33 s ILE 697 CO -0.05 0.32 0.02 -1.58 0.00 0.00 0.00 174.94 173.65 1r33 s GLN 698 N 0.96 2.66 0.11 2.79 0.74 0.14 -1.28 119.66 125.79 1r33 s GLN 698 Ca -0.10 -1.12 -0.18 0.00 0.05 0.00 0.00 55.36 54.02 1r33 s GLN 698 Cb -0.15 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1r33 s GLN 698 CO 0.00 -0.55 1.61 -0.07 -0.55 0.00 0.00 175.29 175.73 1r33 h LEU 699 N 8.09 0.46 -9.12 3.68 3.38 -1.86 0.66 115.31 120.60 1r33 h LEU 699 Ca -0.26 -0.22 -0.45 0.00 0.09 0.00 0.00 57.88 57.04 1r33 h LEU 699 Cb 1.09 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1r33 h LEU 699 CO 0.57 0.56 -0.63 0.42 0.09 0.00 0.00 178.44 179.44 1r33 s THR 700 N -5.35 1.21 0.40 0.22 -4.23 -1.26 -4.08 115.64 102.55 1r33 s THR 700 Ca -0.13 -2.03 0.15 0.00 -1.18 0.00 0.00 61.69 58.49 1r33 s THR 700 Cb 0.09 -2.63 0.36 0.00 1.34 0.00 0.00 72.50 71.65 1r33 s THR 700 CO 0.74 -0.12 1.87 -0.61 -0.54 0.00 0.00 174.62 175.95 1r33 h GLN 701 N 2.23 0.48 0.00 3.99 4.15 -1.92 -2.87 115.11 121.17 1r33 h GLN 701 Ca -0.40 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 58.85 1r33 h GLN 701 Cb 1.24 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 1r33 h GLN 701 CO 0.68 0.32 -1.77 -0.25 -1.93 0.00 0.00 178.83 175.88 1r33 n ASP 702 N -4.53 0.40 -4.61 -0.69 8.00 -1.26 -5.02 116.55 108.84 1r33 n ASP 702 Ca 0.18 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.55 1r33 n ASP 702 Cb 0.61 0.94 0.20 0.00 -0.02 0.00 0.00 41.12 42.85 1r33 n ASP 702 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r33 s SER 703 N -5.28 2.19 0.70 -2.24 1.04 -1.09 -4.98 113.70 104.04 1r33 s SER 703 Ca -0.06 1.99 -0.14 0.00 0.48 0.00 0.00 55.95 58.22 1r33 s SER 703 Cb 0.10 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.74 1r33 s SER 703 CO 0.84 -3.53 1.14 -2.16 0.98 0.00 0.00 173.24 170.52 1r33 s PRO 704 N -4.57 2.47 -0.81 4.02 0.04 -1.26 -4.84 135.00 130.06 1r33 s PRO 704 Ca 0.67 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 1r33 s PRO 704 Cb -0.24 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1r33 s PRO 704 CO 0.60 -1.53 1.15 -1.01 0.04 0.00 0.00 177.00 176.25 1r33 s HIS 705 N -2.28 2.69 -0.03 0.56 3.76 -1.26 -4.38 115.29 114.34 1r33 s HIS 705 Ca 0.69 -0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 1r33 s HIS 705 Cb -0.23 -4.42 -0.05 0.00 1.11 0.00 0.00 32.58 28.99 1r33 s HIS 705 CO 0.44 -1.74 1.45 0.08 -0.85 0.00 0.00 174.74 174.13 1r33 s VAL 706 N 4.18 3.73 0.04 -0.90 1.01 -0.40 -4.77 120.40 123.29 1r33 s VAL 706 Ca 0.31 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 1r33 s VAL 706 Cb -0.09 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1r33 s VAL 706 CO 0.03 -0.04 1.85 -2.84 0.00 0.00 0.00 175.10 174.10 1r33 s PRO 707 N 2.97 4.15 -0.25 2.72 0.02 -1.26 -1.49 135.00 141.86 1r33 s PRO 707 Ca 0.65 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 64.15 1r33 s PRO 707 Cb -0.31 -3.96 0.12 0.00 0.02 0.00 0.00 34.50 30.37 1r33 s PRO 707 CO 0.26 -0.89 0.29 0.08 -0.33 0.00 0.00 177.00 176.40 1r33 s VAL 708 N 3.86 -0.42 -0.13 3.83 1.01 -0.65 -4.22 120.40 123.69 1r33 s VAL 708 Ca 0.83 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1r33 s VAL 708 Cb -0.41 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1r33 s VAL 708 CO 0.37 -0.32 -0.15 -1.00 0.00 0.00 0.00 175.10 174.00 1r33 s HIS 709 N 2.39 2.76 0.15 5.22 3.76 -0.32 -2.94 115.29 126.31 1r33 s HIS 709 Ca 0.09 -0.77 -0.16 0.00 -0.15 0.00 0.00 55.06 54.07 1r33 s HIS 709 Cb -0.15 -1.82 -0.07 0.00 1.11 0.00 0.00 32.58 31.65 1r33 s HIS 709 CO -0.23 -0.28 0.59 -0.06 -0.85 0.00 0.00 174.74 173.90 1r33 s PHE 710 N 0.41 3.65 -0.08 1.40 2.99 -0.93 -0.71 117.98 124.71 1r33 s PHE 710 Ca -0.12 1.16 -0.09 0.00 0.00 0.00 0.00 56.93 57.87 1r33 s PHE 710 Cb -0.16 -2.44 0.02 0.00 0.00 0.00 0.00 43.02 40.44 1r33 s PHE 710 CO 0.06 0.44 0.25 0.21 -0.00 0.00 0.00 175.22 176.18 1r33 s LYS 711 N -1.83 0.36 -0.13 0.44 2.20 -0.12 -4.73 119.74 115.93 1r33 s LYS 711 Ca 0.37 0.23 -0.02 0.00 -0.36 0.00 0.00 55.97 56.20 1r33 s LYS 711 Cb -0.16 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1r33 s LYS 711 CO 0.19 -0.06 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.01 1r33 s PHE 712 N -0.15 2.99 0.31 4.03 0.40 -1.26 -0.33 117.98 123.97 1r33 s PHE 712 Ca -0.03 -0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1r33 s PHE 712 Cb -0.03 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1r33 s PHE 712 CO 0.01 0.07 0.14 -0.51 0.70 0.00 0.00 175.22 175.63 1r33 s LEU 713 N -0.00 1.74 -0.00 -0.37 1.02 -0.24 -1.86 118.68 118.97 1r33 s LEU 713 Ca 0.00 -1.54 0.02 0.00 0.02 0.00 0.00 54.13 52.63 1r33 s LEU 713 Cb -0.13 0.10 -0.01 0.00 0.02 0.00 0.00 46.19 46.17 1r33 s LEU 713 CO 0.03 -0.85 -0.06 -1.59 0.02 0.00 0.00 176.35 173.89 1r33 s LYS 714 N -3.83 0.50 0.09 1.70 -2.85 0.52 -1.13 119.74 114.74 1r33 s LYS 714 Ca 0.35 -0.26 0.03 0.00 -1.00 0.00 0.00 55.97 55.09 1r33 s LYS 714 Cb 0.05 -0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 35.32 1r33 s LYS 714 CO 0.17 0.13 0.11 0.71 0.10 0.00 0.00 175.35 176.56 1r33 s TYR 715 N -0.23 3.23 0.00 1.78 1.51 -0.18 -1.06 117.35 122.40 1r33 s TYR 715 Ca 0.01 0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.16 1r33 s TYR 715 Cb -0.03 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1r33 s TYR 715 CO -0.00 0.53 0.00 0.41 -1.11 0.00 0.00 175.55 175.38 1r33 n GLY 716 N 0.29 5.73 3.32 0.71 0.00 -1.26 -1.59 105.19 112.39 1r33 n GLY 716 Ca -0.08 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 1r33 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r33 s VAL 717 N 0.66 1.87 0.34 1.61 1.01 -1.25 -3.33 120.40 121.30 1r33 s VAL 717 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 61.98 59.99 1r33 s VAL 717 Cb 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 1r33 s VAL 717 CO 0.00 -0.11 1.24 -0.13 0.00 0.00 0.00 175.10 176.10 1r33 s ARG 718 N -2.21 4.33 0.24 2.72 0.52 -1.25 -4.65 118.95 118.65 1r33 s ARG 718 Ca 0.11 2.06 0.21 0.00 -0.52 0.00 0.00 55.73 57.60 1r33 s ARG 718 Cb -0.09 -3.00 0.06 0.00 0.52 0.00 0.00 34.95 32.44 1r33 s ARG 718 CO 0.05 -0.15 1.17 0.66 0.02 0.00 0.00 175.30 177.05 1r33 h SER 719 N 3.29 0.00 -4.17 0.23 4.64 -1.98 -3.46 113.55 112.11 1r33 h SER 719 Ca -0.48 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.45 1r33 h SER 719 Cb 1.23 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.05 1r33 h SER 719 CO 0.65 0.10 -0.78 -1.38 -0.87 0.00 0.00 176.83 174.55 1r33 s HIS 720 N -3.25 0.86 0.00 4.77 0.00 -1.26 -5.09 115.29 111.32 1r33 s HIS 720 Ca 0.01 -0.23 0.00 0.00 -3.00 0.00 0.00 55.06 51.84 1r33 s HIS 720 Cb 0.08 -0.54 0.00 0.00 -4.00 0.00 0.00 32.58 28.13 1r33 s HIS 720 CO 0.76 -0.01 0.00 0.41 -1.00 0.00 0.00 174.74 174.90 1r33 n GLY 721 N 2.52 -1.73 3.76 -1.38 0.00 -1.26 -4.97 105.19 102.14 1r33 n GLY 721 Ca -0.15 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 1r33 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r33 s ASP 722 N -4.00 6.96 -0.08 1.61 -0.00 -1.26 -5.00 116.67 114.90 1r33 s ASP 722 Ca 0.00 2.47 -0.05 0.00 -0.00 0.00 0.00 52.55 54.96 1r33 s ASP 722 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 1r33 s ASP 722 CO 0.00 -0.38 0.14 -0.13 -0.00 0.00 0.00 175.17 174.80 1r33 s ARG 723 N -1.71 3.40 0.60 8.23 1.81 -1.26 -4.58 118.95 125.43 1r33 s ARG 723 Ca 0.48 -0.21 -0.19 0.00 -1.72 0.00 0.00 55.73 54.09 1r33 s ARG 723 Cb -0.35 -3.13 -0.03 0.00 -0.45 0.00 0.00 34.95 30.99 1r33 s ARG 723 CO 0.46 0.74 1.21 -1.12 -0.68 0.00 0.00 175.30 175.91 1r33 s SER 724 N -1.30 5.17 0.00 0.23 0.01 -1.26 -4.56 113.70 111.98 1r33 s SER 724 Ca 0.19 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.83 1r33 s SER 724 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1r33 s SER 724 CO 0.08 -1.61 0.00 0.61 0.41 0.00 0.00 173.24 172.74 1r33 n GLY 725 N 0.49 3.72 0.36 3.44 0.00 -0.73 -4.56 105.19 107.91 1r33 n GLY 725 Ca 0.14 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.22 1r33 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r33 h ALA 726 N 1.58 2.22 0.00 4.61 0.00 -1.85 -3.22 119.26 122.60 1r33 h ALA 726 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 1r33 h ALA 726 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1r33 h ALA 726 CO 0.00 -0.36 -2.04 0.66 0.00 0.00 0.00 179.25 177.51 1r33 n TYR 727 N -4.44 0.42 -3.26 0.00 4.02 -1.26 -2.67 117.16 109.96 1r33 n TYR 727 Ca 0.09 0.18 -0.38 0.00 -0.01 0.00 0.00 57.90 57.77 1r33 n TYR 727 Cb 0.46 -1.04 -0.06 0.00 -0.02 0.00 0.00 39.34 38.68 1r33 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1r33 s LEU 728 N -7.62 4.52 -0.32 7.72 1.43 -1.22 -1.02 118.68 122.17 1r33 s LEU 728 Ca -0.35 1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1r33 s LEU 728 Cb 0.11 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.44 1r33 s LEU 728 CO 0.54 0.26 0.06 0.12 0.23 0.00 0.00 176.35 177.56 1r33 s PHE 729 N -1.14 3.27 -0.54 0.29 5.99 -1.17 -1.77 117.98 122.91 1r33 s PHE 729 Ca 0.30 -1.65 0.07 0.00 0.00 0.00 0.00 56.93 55.64 1r33 s PHE 729 Cb -0.19 -2.24 0.24 0.00 0.00 0.00 0.00 43.02 40.83 1r33 s PHE 729 CO 0.19 -0.77 0.62 1.28 -0.00 0.00 0.00 175.22 176.54 1r33 n LEU 730 N 4.72 2.16 -4.73 6.12 4.77 -1.26 -4.67 117.00 124.11 1r33 n LEU 730 Ca -0.12 -5.09 -0.35 0.00 -0.03 0.00 0.00 56.01 50.42 1r33 n LEU 730 Cb 0.44 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1r33 n LEU 730 CO 0.29 2.03 0.82 -2.16 -1.33 0.00 0.00 177.39 177.04 1r33 s PRO 731 N -1.78 2.32 -0.95 3.23 0.04 -1.26 -3.96 135.00 132.63 1r33 s PRO 731 Ca 0.36 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 1r33 s PRO 731 Cb 0.13 -1.85 0.21 0.00 0.04 0.00 0.00 34.50 33.04 1r33 s PRO 731 CO -0.07 -1.72 2.24 0.27 0.04 0.00 0.00 177.00 177.76 1r33 n ASN 732 N -2.43 7.40 0.00 6.66 6.94 -1.21 -4.75 115.26 127.87 1r33 n ASN 732 Ca 0.14 -3.46 0.00 0.00 -0.02 0.00 0.00 54.58 51.24 1r33 n ASN 732 Cb 0.50 -1.22 0.00 0.00 -2.36 0.00 0.00 39.78 36.70 1r33 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r33 n GLY 733 N 0.55 0.46 3.65 4.83 0.00 -1.26 -4.84 105.19 108.58 1r33 n GLY 733 Ca 0.53 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1r33 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r33 n PRO 734 N 0.28 0.22 -2.02 1.61 -0.02 -1.26 -4.78 135.00 129.02 1r33 n PRO 734 Ca 0.00 0.14 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 1r33 n PRO 734 Cb 0.00 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.18 1r33 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r33 s ALA 735 N -2.07 2.56 -0.01 3.55 0.00 -1.26 -4.94 121.76 119.57 1r33 s ALA 735 Ca 0.72 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1r33 s ALA 735 Cb -0.30 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1r33 s ALA 735 CO 0.52 -1.09 -0.01 -1.12 0.00 0.00 0.00 175.76 174.06 1r33 s SER 736 N -1.82 5.05 0.45 0.00 0.01 -0.22 -4.85 113.70 112.32 1r33 s SER 736 Ca 0.74 -0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.75 1r33 s SER 736 Cb -0.27 -1.31 -0.08 0.00 0.21 0.00 0.00 66.02 64.57 1r33 s SER 736 CO 0.33 0.29 1.29 -2.84 0.41 0.00 0.00 173.24 172.72 1r33 s PRO 737 N -1.43 3.75 0.14 12.44 0.02 -1.26 -0.35 135.00 148.31 1r33 s PRO 737 Ca 0.18 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.99 1r33 s PRO 737 Cb -0.11 -2.58 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 1r33 s PRO 737 CO 0.09 -0.65 1.20 0.08 -0.33 0.00 0.00 177.00 177.38 1r33 s VAL 738 N -1.33 3.72 -0.26 3.83 1.01 -0.78 -4.77 120.40 121.83 1r33 s VAL 738 Ca 0.61 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 1r33 s VAL 738 Cb -0.36 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1r33 s VAL 738 CO 0.46 0.18 1.27 -1.61 0.00 0.00 0.00 175.10 175.40 1r33 s GLU 739 N 0.19 4.03 0.21 2.72 0.41 -1.26 -4.92 118.70 120.08 1r33 s GLU 739 Ca 0.55 1.36 0.19 0.00 -0.41 0.00 0.00 54.97 56.66 1r33 s GLU 739 Cb -0.32 -3.83 0.02 0.00 -1.78 0.00 0.00 34.13 28.23 1r33 s GLU 739 CO 0.34 -0.97 1.16 -0.07 -0.49 0.00 0.00 175.26 175.24 1r33 h LEU 740 N 10.44 0.00 0.00 1.80 3.38 -1.98 -3.45 115.31 125.51 1r33 h LEU 740 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1r33 h LEU 740 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1r33 h LEU 740 CO 1.01 0.32 0.00 0.61 0.09 0.00 0.00 178.44 180.47 1r33 n GLY 741 N 1.25 0.82 2.85 0.83 0.00 -1.26 -3.83 105.19 105.85 1r33 n GLY 741 Ca -0.02 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1r33 n GLY 741 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r33 n GLN 742 N 6.84 1.82 -1.70 1.61 6.02 -1.26 -5.10 117.38 125.61 1r33 n GLN 742 Ca 0.00 -4.46 -0.35 0.00 -0.01 0.00 0.00 57.00 52.19 1r33 n GLN 742 Cb 0.00 -2.26 0.06 0.00 1.02 0.00 0.00 30.24 29.06 1r33 n GLN 742 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1r33 s PRO 743 N -1.49 2.55 -0.02 -1.09 0.04 -1.25 -4.96 135.00 128.78 1r33 s PRO 743 Ca 0.26 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 1r33 s PRO 743 Cb -0.03 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1r33 s PRO 743 CO -0.16 -1.51 0.87 0.08 0.04 0.00 0.00 177.00 176.31 1r33 s VAL 744 N -1.89 4.93 -0.10 -0.36 1.01 -1.26 -4.85 120.40 117.87 1r33 s VAL 744 Ca 0.74 1.82 0.03 0.00 0.00 0.00 0.00 61.98 64.57 1r33 s VAL 744 Cb -0.28 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1r33 s VAL 744 CO 0.40 0.20 -0.20 -0.69 0.00 0.00 0.00 175.10 174.82 1r33 s VAL 745 N 0.89 2.46 -0.18 2.92 1.01 -0.78 -2.47 120.40 124.25 1r33 s VAL 745 Ca 0.46 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1r33 s VAL 745 Cb -0.20 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1r33 s VAL 745 CO 0.24 0.55 -0.11 -0.22 0.00 0.00 0.00 175.10 175.56 1r33 s LEU 746 N 0.23 2.62 -0.20 3.92 2.96 0.87 -0.20 118.68 128.89 1r33 s LEU 746 Ca -0.13 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1r33 s LEU 746 Cb -0.16 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 1r33 s LEU 746 CO 0.07 0.04 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.37 1r33 s VAL 747 N 1.08 3.09 -0.17 1.68 1.01 0.28 -0.89 120.40 126.48 1r33 s VAL 747 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1r33 s VAL 747 Cb -0.15 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1r33 s VAL 747 CO -0.03 0.46 -0.12 -0.89 0.00 0.00 0.00 175.10 174.52 1r33 s THR 748 N 1.30 2.92 -0.20 3.92 2.01 -0.35 -0.09 115.64 125.15 1r33 s THR 748 Ca 0.04 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1r33 s THR 748 Cb -0.14 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.13 1r33 s THR 748 CO -0.04 0.49 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.48 1r33 s LYS 749 N 0.93 2.92 0.25 4.92 2.20 -0.21 -0.36 119.74 130.38 1r33 s LYS 749 Ca -0.02 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.71 1r33 s LYS 749 Cb -0.15 -2.72 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1r33 s LYS 749 CO -0.01 -0.28 0.08 0.20 -0.36 0.00 0.00 175.35 174.98 1r33 s GLY 750 N 1.29 1.68 0.25 5.54 0.00 -0.92 -1.13 107.32 114.03 1r33 s GLY 750 Ca 0.03 -1.84 0.04 0.00 0.00 0.00 0.00 44.72 42.94 1r33 s GLY 750 CO -0.10 -1.60 1.60 0.50 0.00 0.00 0.00 173.10 173.50 1r33 h LYS 751 N 2.41 0.30 0.00 2.90 1.57 -1.96 -3.33 116.57 118.46 1r33 h LYS 751 Ca -0.38 -0.18 -0.29 0.00 -1.87 0.00 0.00 60.65 57.93 1r33 h LYS 751 Cb 1.24 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1r33 h LYS 751 CO 0.62 0.75 -2.18 1.28 -0.57 0.00 0.00 179.45 179.35 1r33 n LEU 752 N -3.95 0.00 -3.71 2.94 4.77 -1.26 -4.52 117.00 111.28 1r33 n LEU 752 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1r33 n LEU 752 Cb 0.56 0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.94 1r33 n LEU 752 CO 0.44 0.39 0.06 -0.70 -1.33 0.00 0.00 177.39 176.26 1r33 s GLU 753 N -2.51 0.42 0.25 3.23 2.12 -1.25 -4.47 118.70 116.48 1r33 s GLU 753 Ca -0.09 0.71 0.06 0.00 0.36 0.00 0.00 54.97 56.01 1r33 s GLU 753 Cb 0.06 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 1r33 s GLU 753 CO 0.73 -0.12 -0.05 -1.12 -0.54 0.00 0.00 175.26 174.15 1r33 s SER 754 N 1.00 2.37 0.04 -1.70 0.01 -0.41 -2.17 113.70 112.84 1r33 s SER 754 Ca -0.06 -1.17 -0.27 0.00 1.31 0.00 0.00 55.95 55.76 1r33 s SER 754 Cb -0.07 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.15 1r33 s SER 754 CO -0.08 -0.38 0.74 -0.94 0.41 0.00 0.00 173.24 172.99 1r33 s SER 755 N -3.36 -0.51 -0.11 2.44 1.04 0.51 -0.50 113.70 113.20 1r33 s SER 755 Ca 0.27 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1r33 s SER 755 Cb 0.04 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1r33 s SER 755 CO 0.09 -0.73 -0.15 -0.69 0.98 0.00 0.00 173.24 172.74 1r33 s VAL 756 N -2.78 1.53 -0.02 5.02 1.01 -0.50 -1.21 120.40 123.46 1r33 s VAL 756 Ca -0.01 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1r33 s VAL 756 Cb -0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1r33 s VAL 756 CO -0.06 0.45 -0.19 -0.44 0.00 0.00 0.00 175.10 174.86 1r33 s SER 757 N 1.02 2.22 -0.01 3.32 0.01 -0.06 -0.55 113.70 119.65 1r33 s SER 757 Ca -0.06 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1r33 s SER 757 Cb -0.15 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.82 1r33 s SER 757 CO -0.02 0.23 0.01 0.54 0.41 0.00 0.00 173.24 174.40 1r33 s VAL 758 N -0.42 -0.00 -0.78 3.43 0.11 0.02 -0.09 120.40 122.67 1r33 s VAL 758 Ca 0.07 0.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.96 1r33 s VAL 758 Cb -0.08 -0.04 0.10 0.00 -1.53 0.00 0.00 36.38 34.83 1r33 s VAL 758 CO -0.01 0.03 1.04 -0.83 -3.33 0.00 0.00 175.10 172.00 1r33 s GLY 759 N 0.31 1.61 0.36 6.54 0.00 -1.03 -1.21 107.32 113.89 1r33 s GLY 759 Ca -0.03 -2.26 0.03 0.00 0.00 0.00 0.00 44.72 42.47 1r33 s GLY 759 CO -0.01 2.04 0.53 1.08 0.00 0.00 0.00 173.10 176.74 1r33 s LEU 760 N 3.47 3.94 0.08 0.66 1.43 0.31 -4.40 118.68 124.18 1r33 s LEU 760 Ca 0.27 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1r33 s LEU 760 Cb -0.12 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 1r33 s LEU 760 CO 0.01 -0.42 1.66 -2.84 0.23 0.00 0.00 176.35 174.99 1r33 s PRO 761 N -4.28 4.19 0.00 1.29 0.02 -1.26 -1.95 135.00 133.01 1r33 s PRO 761 Ca 0.43 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1r33 s PRO 761 Cb -0.10 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.87 1r33 s PRO 761 CO 0.34 -0.73 0.00 0.43 -0.33 0.00 0.00 177.00 176.71 1r33 n SER 762 N 5.45 0.00 -3.68 2.53 7.64 -1.26 -4.97 113.62 119.34 1r33 n SER 762 Ca 0.16 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1r33 n SER 762 Cb 0.40 -0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 63.05 1r33 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1r33 s VAL 763 N -2.96 -0.34 -0.42 0.44 1.01 -0.82 -0.33 120.40 116.97 1r33 s VAL 763 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1r33 s VAL 763 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1r33 s VAL 763 CO 0.00 0.07 0.45 -0.69 0.00 0.00 0.00 175.10 174.92 1r33 s VAL 764 N 2.05 5.08 -0.20 2.92 1.01 -0.58 -0.53 120.40 130.14 1r33 s VAL 764 Ca -0.04 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1r33 s VAL 764 Cb -0.11 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1r33 s VAL 764 CO -0.12 -0.44 0.21 -2.28 0.00 0.00 0.00 175.10 172.47 1r33 s HIS 765 N 2.16 3.39 -0.05 5.22 5.04 -0.35 -0.86 115.29 129.83 1r33 s HIS 765 Ca 0.12 0.39 0.03 0.00 -1.54 0.00 0.00 55.06 54.06 1r33 s HIS 765 Cb -0.17 -2.28 0.01 0.00 0.04 0.00 0.00 32.58 30.18 1r33 s HIS 765 CO 0.14 0.17 -0.11 -0.65 -2.34 0.00 0.00 174.74 171.94 1r33 s GLN 766 N 0.73 1.37 -0.24 2.88 -0.21 0.79 -0.80 119.66 124.18 1r33 s GLN 766 Ca 0.11 -0.37 -0.03 0.00 0.02 0.00 0.00 55.36 55.09 1r33 s GLN 766 Cb -0.13 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.70 1r33 s GLN 766 CO 0.03 0.08 -0.05 0.99 -2.12 0.00 0.00 175.29 174.22 1r33 s THR 767 N 0.43 3.14 -0.12 -0.19 2.01 0.28 -1.01 115.64 120.19 1r33 s THR 767 Ca -0.09 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 1r33 s THR 767 Cb -0.13 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1r33 s THR 767 CO 0.02 0.31 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.56 1r33 s ILE 768 N 1.41 3.63 -0.12 1.82 1.01 0.12 -1.40 121.20 127.67 1r33 s ILE 768 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1r33 s ILE 768 Cb -0.15 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1r33 s ILE 768 CO -0.04 0.53 -0.22 -0.04 0.00 0.00 0.00 174.94 175.18 1r33 s MET 769 N -0.02 3.08 -0.03 2.79 -1.94 0.34 -0.75 119.30 122.77 1r33 s MET 769 Ca -0.00 -0.85 0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1r33 s MET 769 Cb -0.14 -2.40 0.06 0.00 2.01 0.00 0.00 34.83 34.37 1r33 s MET 769 CO 0.03 0.11 0.90 0.54 -0.01 0.00 0.00 175.02 176.59 1r33 n ARG 770 N 3.75 1.33 0.00 2.03 1.74 -1.26 -1.29 116.66 122.95 1r33 n ARG 770 Ca -0.19 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.49 1r33 n ARG 770 Cb 0.52 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 1r33 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r33 n GLY 771 N -0.49 1.67 0.00 -0.13 0.00 -1.26 -4.89 105.19 100.09 1r33 n GLY 771 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1r33 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r33 n GLY 772 N -0.44 5.20 3.75 -0.02 0.00 -1.26 -3.46 105.19 108.96 1r33 n GLY 772 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1r33 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r33 n ALA 773 N -3.00 2.26 -1.14 4.61 0.00 -1.26 -4.62 120.51 117.36 1r33 n ALA 773 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1r33 n ALA 773 Cb 0.00 -2.41 0.11 0.00 0.00 0.00 0.00 19.45 17.15 1r33 n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r33 s PRO 774 N -1.47 1.87 -0.11 0.00 0.04 -1.24 -4.79 135.00 129.30 1r33 s PRO 774 Ca 0.58 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.79 1r33 s PRO 774 Cb -0.50 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1r33 s PRO 774 CO 0.58 -1.92 -0.02 -2.00 0.04 0.00 0.00 177.00 173.67 1r33 s GLU 775 N -4.85 3.24 -0.11 4.56 2.12 0.07 -1.82 118.70 121.91 1r33 s GLU 775 Ca 0.63 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.49 1r33 s GLU 775 Cb -0.18 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 1r33 s GLU 775 CO 0.57 0.51 -0.13 0.42 -0.54 0.00 0.00 175.26 176.09 1r33 s ILE 776 N -0.36 3.12 -0.05 -3.70 -1.09 -0.20 0.13 121.20 119.05 1r33 s ILE 776 Ca 0.06 -0.66 0.04 0.00 -2.23 0.00 0.00 60.65 57.87 1r33 s ILE 776 Cb -0.12 -2.29 -0.00 0.00 -1.58 0.00 0.00 42.46 38.47 1r33 s ILE 776 CO 0.02 0.54 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.98 1r33 s ARG 777 N 0.03 1.86 -0.20 2.79 0.52 -0.18 -0.69 118.95 123.09 1r33 s ARG 777 Ca -0.04 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 1r33 s ARG 777 Cb -0.14 -1.58 0.03 0.00 0.52 0.00 0.00 34.95 33.77 1r33 s ARG 777 CO 0.04 0.21 -0.18 -0.80 0.02 0.00 0.00 175.30 174.59 1r33 s ASN 778 N 0.15 3.46 -0.56 0.23 0.01 0.11 -0.15 114.94 118.19 1r33 s ASN 778 Ca -0.07 -0.83 -0.20 0.00 -0.71 0.00 0.00 52.86 51.05 1r33 s ASN 778 Cb -0.13 -1.50 0.07 0.00 0.41 0.00 0.00 41.25 40.11 1r33 s ASN 778 CO 0.03 -0.05 0.74 -0.22 -1.51 0.00 0.00 177.10 176.10 1r33 s LEU 779 N 1.25 4.88 -0.31 0.60 2.96 -0.04 -0.90 118.68 127.12 1r33 s LEU 779 Ca 0.02 -1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 52.79 1r33 s LEU 779 Cb -0.15 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1r33 s LEU 779 CO -0.11 -1.09 0.30 -0.69 -1.32 0.00 0.00 176.35 173.44 1r33 s VAL 780 N 3.05 5.23 -0.37 1.68 1.01 0.67 -1.53 120.40 130.13 1r33 s VAL 780 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1r33 s VAL 780 Cb -0.19 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.62 1r33 s VAL 780 CO 0.11 0.08 0.19 -0.62 0.00 0.00 0.00 175.10 174.85 1r33 s ASP 781 N 1.72 3.57 0.00 3.32 3.68 0.55 -1.94 116.67 127.57 1r33 s ASP 781 Ca 0.10 -2.18 0.17 0.00 2.13 0.00 0.00 52.55 52.78 1r33 s ASP 781 Cb -0.16 -0.79 0.95 0.00 -1.45 0.00 0.00 42.92 41.46 1r33 s ASP 781 CO 0.11 -0.33 1.49 0.00 0.13 0.00 0.00 175.17 176.57 1r33 n ILE 782 N 4.11 0.29 0.00 4.11 3.06 -1.26 -4.29 119.36 125.38 1r33 n ILE 782 Ca 0.06 0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 1r33 n ILE 782 Cb 0.37 -0.79 0.00 0.00 0.54 0.00 0.00 39.64 39.76 1r33 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1r33 n GLY 783 N 0.14 2.69 1.24 4.50 0.00 -1.26 -1.45 105.19 111.04 1r33 n GLY 783 Ca 0.10 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 1r33 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r33 n SER 784 N 3.25 3.33 -4.56 1.61 3.41 -1.26 -4.91 113.62 114.48 1r33 n SER 784 Ca 0.00 -3.44 -0.32 0.00 -0.26 0.00 0.00 58.87 54.85 1r33 n SER 784 Cb 0.00 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.28 1r33 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r33 s LEU 785 N -3.08 3.30 0.62 1.04 1.43 -0.53 -4.95 118.68 116.51 1r33 s LEU 785 Ca 0.46 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 1r33 s LEU 785 Cb 0.39 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1r33 s LEU 785 CO 0.05 -2.33 1.22 -1.81 0.23 0.00 0.00 176.35 173.71 1r33 s ASP 786 N 6.63 4.99 -1.38 2.29 1.11 -1.26 -3.56 116.67 125.48 1r33 s ASP 786 Ca 0.62 2.40 -0.04 0.00 0.18 0.00 0.00 52.55 55.71 1r33 s ASP 786 Cb -0.03 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1r33 s ASP 786 CO -0.00 -1.73 0.42 0.59 1.18 0.00 0.00 175.17 175.63 1r33 n ASN 787 N -1.79 -0.86 -3.97 0.27 3.02 -0.16 -4.98 115.26 106.79 1r33 n ASN 787 Ca 0.14 -1.05 -0.17 0.00 -0.03 0.00 0.00 54.58 53.46 1r33 n ASN 787 Cb 0.50 -2.85 -0.15 0.00 -0.61 0.00 0.00 39.78 36.67 1r33 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1r33 s THR 788 N -3.94 0.51 -0.12 3.41 2.01 -0.62 -3.90 115.64 112.98 1r33 s THR 788 Ca 0.07 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1r33 s THR 788 Cb -0.03 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.06 1r33 s THR 788 CO 0.90 0.15 -0.17 -1.61 -0.69 0.00 0.00 174.62 173.20 1r33 s GLU 789 N -0.09 2.42 -0.22 4.92 2.02 -0.62 -1.11 118.70 126.02 1r33 s GLU 789 Ca 0.02 -0.64 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 1r33 s GLU 789 Cb -0.03 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1r33 s GLU 789 CO -0.00 -0.05 0.31 0.42 0.02 0.00 0.00 175.26 175.97 1r33 s ILE 790 N 0.93 5.25 0.00 -1.63 1.01 -0.35 -1.01 121.20 125.42 1r33 s ILE 790 Ca -0.07 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.16 1r33 s ILE 790 Cb -0.15 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1r33 s ILE 790 CO -0.01 0.28 -0.20 0.54 0.00 0.00 0.00 174.94 175.55 1r33 s VAL 791 N 1.26 2.61 -0.24 2.92 0.11 -0.28 0.29 120.40 127.07 1r33 s VAL 791 Ca 0.15 -1.07 -0.07 0.00 -2.93 0.00 0.00 61.98 58.06 1r33 s VAL 791 Cb -0.14 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 1r33 s VAL 791 CO 0.07 0.47 0.06 -0.32 -3.33 0.00 0.00 175.10 172.04 1r33 s MET 792 N -1.03 3.66 0.06 1.54 1.75 -0.35 -1.07 119.30 123.85 1r33 s MET 792 Ca 0.12 -0.48 0.08 0.00 -1.25 0.00 0.00 55.69 54.17 1r33 s MET 792 Cb -0.10 -3.29 -0.03 0.00 2.84 0.00 0.00 34.83 34.24 1r33 s MET 792 CO 0.02 -0.15 -0.21 0.50 -0.65 0.00 0.00 175.02 174.53 1r33 s ARG 793 N 1.50 1.90 -0.16 4.11 3.52 0.55 -0.75 118.95 129.62 1r33 s ARG 793 Ca 0.06 -1.08 -0.02 0.00 -0.13 0.00 0.00 55.73 54.56 1r33 s ARG 793 Cb -0.15 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 31.13 1r33 s ARG 793 CO 0.03 0.52 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.46 1r33 s LEU 794 N -1.52 2.98 -0.19 -0.88 1.43 0.78 -0.95 118.68 120.34 1r33 s LEU 794 Ca 0.14 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1r33 s LEU 794 Cb -0.10 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1r33 s LEU 794 CO 0.05 0.13 -0.07 -1.61 0.23 0.00 0.00 176.35 175.08 1r33 s GLU 795 N 0.59 3.42 0.37 1.70 2.02 0.11 -2.05 118.70 124.86 1r33 s GLU 795 Ca -0.05 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.37 1r33 s GLU 795 Cb -0.15 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1r33 s GLU 795 CO 0.03 -0.03 0.21 0.95 0.02 0.00 0.00 175.26 176.44 1r33 s THR 796 N 1.02 0.24 -0.94 3.63 -4.23 -0.33 -1.17 115.64 113.85 1r33 s THR 796 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.66 1r33 s THR 796 Cb -0.15 -2.42 0.46 0.00 1.34 0.00 0.00 72.50 71.73 1r33 s THR 796 CO -0.00 0.00 1.38 1.41 -0.54 0.00 0.00 174.62 176.87 1r33 n HIS 797 N -0.75 0.78 -1.71 3.99 8.25 -1.26 -4.58 115.22 119.95 1r33 n HIS 797 Ca 0.01 -0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 56.45 1r33 n HIS 797 Cb 0.63 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 1r33 n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1r33 n ILE 798 N 0.56 0.25 -2.10 1.59 5.41 -1.26 -4.87 119.36 118.95 1r33 n ILE 798 Ca 0.17 -0.06 -0.42 0.00 1.00 0.00 0.00 62.75 63.44 1r33 n ILE 798 Cb 0.61 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1r33 n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1r33 n ASP 799 N 3.37 5.39 0.15 4.38 4.64 -1.26 -2.71 116.55 130.50 1r33 n ASP 799 Ca 0.15 -3.03 0.12 0.00 -1.38 0.00 0.00 54.79 50.65 1r33 n ASP 799 Cb 0.33 -1.51 0.19 0.00 -1.04 0.00 0.00 41.12 39.09 1r33 n ASP 799 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1r33 h SER 800 N 5.61 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.16 1r33 h SER 800 Ca 0.50 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1r33 h SER 800 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1r33 h SER 800 CO 1.68 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 178.26 1r33 n GLY 801 N 1.20 3.14 0.72 -0.77 0.00 -1.26 -1.96 105.19 106.25 1r33 n GLY 801 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1r33 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r33 n ASP 802 N 9.32 3.21 -4.75 1.61 3.85 -1.26 -3.04 116.55 125.49 1r33 n ASP 802 Ca 0.00 -2.29 -0.36 0.00 -0.71 0.00 0.00 54.79 51.44 1r33 n ASP 802 Cb 0.00 -0.32 -0.08 0.00 -1.35 0.00 0.00 41.12 39.37 1r33 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1r33 s ILE 803 N -1.52 4.73 0.24 2.12 -1.09 -0.83 -0.08 121.20 124.76 1r33 s ILE 803 Ca 0.29 -0.10 -0.14 0.00 -2.23 0.00 0.00 60.65 58.46 1r33 s ILE 803 Cb 0.18 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 1r33 s ILE 803 CO 0.14 0.60 0.50 0.72 -1.23 0.00 0.00 174.94 175.67 1r33 s PHE 804 N -0.94 0.21 -0.01 3.97 -0.12 -0.67 -4.73 117.98 115.69 1r33 s PHE 804 Ca 0.14 -0.58 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 1r33 s PHE 804 Cb -0.12 0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 42.54 1r33 s PHE 804 CO 0.03 -0.99 -0.17 0.71 -0.05 0.00 0.00 175.22 174.75 1r33 s TYR 805 N -3.98 1.54 0.11 3.49 1.51 0.13 0.12 117.35 120.28 1r33 s TYR 805 Ca 0.18 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1r33 s TYR 805 Cb -0.01 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1r33 s TYR 805 CO 0.06 -0.01 -0.07 0.95 -1.11 0.00 0.00 175.55 175.37 1r33 s THR 806 N -0.46 0.79 0.38 -0.71 -4.23 -1.03 -1.21 115.64 109.17 1r33 s THR 806 Ca 0.06 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1r33 s THR 806 Cb -0.07 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 1r33 s THR 806 CO -0.00 -0.82 0.56 1.51 -0.54 0.00 0.00 174.62 175.32 1r33 s ASP 807 N -3.08 5.99 -0.24 3.99 3.84 -0.91 -0.77 116.67 125.48 1r33 s ASP 807 Ca 0.14 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 1r33 s ASP 807 Cb 0.05 -1.53 0.04 0.00 -1.38 0.00 0.00 42.92 40.10 1r33 s ASP 807 CO -0.03 -0.50 -0.09 -0.76 -0.00 0.00 0.00 175.17 173.79 1r33 s LEU 808 N -4.34 3.14 -1.12 2.11 1.43 0.62 -4.35 118.68 116.17 1r33 s LEU 808 Ca 0.45 -1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1r33 s LEU 808 Cb -0.10 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1r33 s LEU 808 CO 0.34 -0.13 0.13 0.59 0.23 0.00 0.00 176.35 177.51 1r33 n ASN 809 N 4.59 -3.97 -1.14 2.29 4.13 -1.26 -0.86 115.26 119.04 1r33 n ASN 809 Ca -0.16 0.06 -0.15 0.00 1.68 0.00 0.00 54.58 56.01 1r33 n ASN 809 Cb 0.46 -3.35 -0.06 0.00 -1.54 0.00 0.00 39.78 35.29 1r33 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r33 n GLY 810 N -0.91 1.50 0.05 7.41 0.00 -1.26 -0.48 105.19 111.50 1r33 n GLY 810 Ca -0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 1r33 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r33 n LEU 811 N -1.69 1.13 -3.55 0.99 7.94 -0.04 -4.89 117.00 116.90 1r33 n LEU 811 Ca -0.15 -0.02 -0.13 0.00 -1.11 0.00 0.00 56.01 54.60 1r33 n LEU 811 Cb 0.52 -0.02 -0.04 0.00 0.53 0.00 0.00 43.42 44.41 1r33 n LEU 811 CO 0.23 0.41 0.29 0.00 -1.11 0.00 0.00 177.39 177.20 1r33 s GLN 812 N -2.23 1.11 -0.14 1.96 -2.07 -1.18 -4.99 119.66 112.12 1r33 s GLN 812 Ca -0.09 -0.39 -0.03 0.00 -1.82 0.00 0.00 55.36 53.03 1r33 s GLN 812 Cb 0.03 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.43 1r33 s GLN 812 CO 0.34 -0.43 -0.04 -0.06 -1.32 0.00 0.00 175.29 173.78 1r33 s PHE 813 N -3.08 3.03 -0.04 9.60 0.40 -1.26 -0.28 117.98 126.36 1r33 s PHE 813 Ca -0.02 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1r33 s PHE 813 Cb -0.00 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1r33 s PHE 813 CO -0.07 0.06 -0.19 -1.50 0.70 0.00 0.00 175.22 174.22 1r33 s ILE 814 N 0.10 2.64 0.14 0.64 2.07 0.05 -1.97 121.20 124.88 1r33 s ILE 814 Ca -0.00 -0.88 -0.30 0.00 -1.41 0.00 0.00 60.65 58.05 1r33 s ILE 814 Cb -0.13 -1.99 -0.08 0.00 0.13 0.00 0.00 42.46 40.39 1r33 s ILE 814 CO 0.03 0.59 1.26 -0.75 -1.91 0.00 0.00 174.94 174.15 1r33 s LYS 815 N -0.65 4.42 0.11 3.50 2.20 -0.11 -2.45 119.74 126.76 1r33 s LYS 815 Ca 0.10 1.92 0.09 0.00 -0.36 0.00 0.00 55.97 57.73 1r33 s LYS 815 Cb -0.11 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1r33 s LYS 815 CO 0.00 -0.24 -0.19 1.03 -0.36 0.00 0.00 175.35 175.60 1r33 s ARG 816 N 0.41 1.77 -0.13 4.03 1.81 0.12 -4.97 118.95 121.99 1r33 s ARG 816 Ca 0.58 -1.18 -0.00 0.00 -1.72 0.00 0.00 55.73 53.40 1r33 s ARG 816 Cb -0.33 -2.10 0.02 0.00 -0.45 0.00 0.00 34.95 32.09 1r33 s ARG 816 CO 0.34 0.48 -0.10 0.50 -0.68 0.00 0.00 175.30 175.84 1r33 s ARG 817 N -2.10 1.80 0.20 3.54 3.52 -1.26 -1.66 118.95 123.00 1r33 s ARG 817 Ca 0.17 -0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 55.10 1r33 s ARG 817 Cb -0.11 -1.77 -0.10 0.00 -1.56 0.00 0.00 34.95 31.41 1r33 s ARG 817 CO 0.10 -0.25 1.51 0.50 -0.81 0.00 0.00 175.30 176.35 1r33 s ARG 818 N 1.62 4.23 -0.26 5.12 3.52 0.89 -4.99 118.95 129.07 1r33 s ARG 818 Ca 0.05 2.34 0.02 0.00 -0.13 0.00 0.00 55.73 58.00 1r33 s ARG 818 Cb -0.13 -3.13 0.05 0.00 -1.56 0.00 0.00 34.95 30.18 1r33 s ARG 818 CO -0.09 -0.53 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.27 1r33 s LEU 819 N 0.46 3.47 0.04 -0.88 1.43 -1.26 -4.92 118.68 117.03 1r33 s LEU 819 Ca 0.65 -1.32 0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1r33 s LEU 819 Cb -0.43 -1.59 0.81 0.00 0.03 0.00 0.00 46.19 45.01 1r33 s LEU 819 CO 0.37 -0.19 1.61 0.47 0.23 0.00 0.00 176.35 178.83 1r33 n ASP 820 N 4.49 0.13 0.00 2.29 8.00 -1.26 -1.45 116.55 128.74 1r33 n ASP 820 Ca -0.14 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.01 1r33 n ASP 820 Cb 0.43 -0.55 0.63 0.00 -0.02 0.00 0.00 41.12 41.60 1r33 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1r33 n LYS 821 N -1.63 0.25 -4.26 -1.24 2.85 -1.26 -4.72 118.16 108.15 1r33 n LYS 821 Ca 0.04 0.04 -0.27 0.00 -1.05 0.00 0.00 58.31 57.08 1r33 n LYS 821 Cb 0.23 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.02 1r33 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r33 s LEU 822 N -2.71 3.08 0.86 -5.58 1.43 -0.53 -5.05 118.68 110.18 1r33 s LEU 822 Ca 0.21 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1r33 s LEU 822 Cb 0.17 -1.77 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1r33 s LEU 822 CO 0.42 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 176.05 1r33 s PRO 823 N -2.79 1.52 0.22 1.29 0.04 -1.26 -4.88 135.00 129.14 1r33 s PRO 823 Ca 0.25 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1r33 s PRO 823 Cb -0.09 -1.81 0.27 0.00 0.04 0.00 0.00 34.50 32.91 1r33 s PRO 823 CO 0.16 -2.16 1.63 1.25 0.04 0.00 0.00 177.00 177.92 1r33 h LEU 824 N -1.51 -0.53 -2.38 -3.56 6.46 -1.95 -0.52 115.31 111.32 1r33 h LEU 824 Ca -0.46 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1r33 h LEU 824 Cb 1.26 0.38 -0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1r33 h LEU 824 CO 0.49 -0.20 -0.01 0.06 -0.62 0.00 0.00 178.44 178.16 1r33 h GLN 825 N 0.03 0.00 0.00 1.25 -0.00 -1.92 -0.09 115.11 114.38 1r33 h GLN 825 Ca 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.96 1r33 h GLN 825 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1r33 h GLN 825 CO -0.65 0.01 -0.04 0.00 -0.00 0.00 0.00 178.83 178.15 1r33 h ALA 826 N 1.99 0.98 -0.09 0.06 0.00 -1.43 -3.02 119.26 117.74 1r33 h ALA 826 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r33 h ALA 826 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r33 h ALA 826 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1r33 n ASN 827 N -3.12 1.50 -4.79 0.00 3.02 -0.05 -4.59 115.26 107.24 1r33 n ASN 827 Ca 0.03 -1.59 -0.39 0.00 -0.03 0.00 0.00 54.58 52.60 1r33 n ASN 827 Cb 0.50 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 1r33 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1r33 s TYR 828 N -1.89 3.83 0.16 3.10 1.51 -1.14 -4.61 117.35 118.30 1r33 s TYR 828 Ca 0.35 1.43 0.04 0.00 -1.01 0.00 0.00 57.07 57.88 1r33 s TYR 828 Cb 0.19 -2.64 -0.05 0.00 -0.11 0.00 0.00 41.96 39.35 1r33 s TYR 828 CO 0.30 0.51 -0.07 0.71 -1.11 0.00 0.00 175.55 175.89 1r33 s TYR 829 N -0.96 1.24 0.44 2.71 1.51 -0.13 -4.69 117.35 117.47 1r33 s TYR 829 Ca 0.33 -0.84 -0.25 0.00 -1.01 0.00 0.00 57.07 55.29 1r33 s TYR 829 Cb -0.21 -0.67 -0.08 0.00 -0.11 0.00 0.00 41.96 40.89 1r33 s TYR 829 CO 0.22 -0.01 1.31 -2.14 -1.11 0.00 0.00 175.55 173.82 1r33 s PRO 830 N -3.80 3.79 -0.64 -1.71 0.02 -1.26 -1.59 135.00 129.81 1r33 s PRO 830 Ca 0.19 2.16 0.06 0.00 0.02 0.00 0.00 61.00 63.42 1r33 s PRO 830 Cb 0.04 -2.63 0.21 0.00 0.02 0.00 0.00 34.50 32.14 1r33 s PRO 830 CO 0.01 -0.64 0.62 -0.89 -0.33 0.00 0.00 177.00 175.77 1r33 n ILE 831 N -0.15 1.76 0.24 2.83 2.08 0.64 -4.56 119.36 122.21 1r33 n ILE 831 Ca 0.05 -4.94 0.08 0.00 0.56 0.00 0.00 62.75 58.50 1r33 n ILE 831 Cb 0.44 -2.11 0.61 0.00 -0.75 0.00 0.00 39.64 37.84 1r33 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1r33 h PRO 832 N 4.71 0.00 0.00 0.38 0.13 -1.78 -2.84 132.00 132.60 1r33 h PRO 832 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1r33 h PRO 832 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1r33 h PRO 832 CO 0.75 0.12 0.00 -1.13 -0.23 0.00 0.00 178.00 177.51 1r33 n SER 833 N -4.17 0.00 -3.59 1.44 3.41 -1.26 -3.76 113.62 105.69 1r33 n SER 833 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.54 1r33 n SER 833 Cb 0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1r33 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1r33 s GLY 834 N 0.00 -0.31 0.06 5.00 0.00 -1.26 -0.15 107.32 110.66 1r33 s GLY 834 Ca 0.00 1.54 -0.17 0.00 0.00 0.00 0.00 44.72 46.09 1r33 s GLY 834 CO 0.00 0.51 0.39 -3.16 0.00 0.00 0.00 173.10 170.84 1r33 s MET 835 N -2.46 0.93 0.09 2.90 0.23 -0.52 -2.15 119.30 118.32 1r33 s MET 835 Ca 0.09 -0.45 -0.22 0.00 -1.03 0.00 0.00 55.69 54.09 1r33 s MET 835 Cb -0.01 0.41 0.06 0.00 -1.53 0.00 0.00 34.83 33.76 1r33 s MET 835 CO -0.05 -0.33 0.53 -0.59 -2.03 0.00 0.00 175.02 172.56 1r33 s PHE 836 N -2.73 -0.43 0.09 3.16 -0.12 -0.35 -0.56 117.98 117.05 1r33 s PHE 836 Ca -0.04 0.36 0.07 0.00 -0.05 0.00 0.00 56.93 57.27 1r33 s PHE 836 Cb -0.00 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1r33 s PHE 836 CO -0.04 -0.71 -0.18 0.96 -0.05 0.00 0.00 175.22 175.19 1r33 s ILE 837 N -3.02 1.49 0.16 -4.49 -4.36 -0.81 -0.69 121.20 109.47 1r33 s ILE 837 Ca -0.02 -1.46 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1r33 s ILE 837 Cb -0.00 -1.38 0.03 0.00 1.25 0.00 0.00 42.46 42.36 1r33 s ILE 837 CO -0.06 -0.13 0.46 -1.83 0.24 0.00 0.00 174.94 173.62 1r33 s GLU 838 N -1.86 1.23 0.00 0.37 -1.05 -1.26 -1.20 118.70 114.93 1r33 s GLU 838 Ca 0.03 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 1r33 s GLU 838 Cb -0.10 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1r33 s GLU 838 CO 0.03 -0.50 0.00 -0.40 0.95 0.00 0.00 175.26 175.34 1r33 n ASP 839 N -0.29 1.24 0.26 0.83 5.68 -0.38 -4.15 116.55 119.74 1r33 n ASP 839 Ca -0.13 -0.12 0.10 0.00 -0.50 0.00 0.00 54.79 54.14 1r33 n ASP 839 Cb 0.63 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.28 1r33 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r33 h ALA 840 N 1.00 1.62 0.00 2.12 0.00 -1.98 -3.34 119.26 118.68 1r33 h ALA 840 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1r33 h ALA 840 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1r33 h ALA 840 CO 0.00 0.12 -1.38 0.09 0.00 0.00 0.00 179.25 178.08 1r33 n ASN 841 N -4.10 3.60 -4.15 0.00 3.02 -1.26 -3.70 115.26 108.67 1r33 n ASN 841 Ca -0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.30 1r33 n ASN 841 Cb 0.18 0.69 -0.14 0.00 -0.61 0.00 0.00 39.78 39.90 1r33 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1r33 s THR 842 N -2.16 1.23 0.04 3.41 2.01 -1.26 -0.21 115.64 118.70 1r33 s THR 842 Ca -0.03 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1r33 s THR 842 Cb 0.02 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1r33 s THR 842 CO 0.23 0.19 -0.12 -0.60 -0.69 0.00 0.00 174.62 173.63 1r33 s ARG 843 N -0.78 0.81 -0.12 4.92 3.52 -0.31 -1.24 118.95 125.74 1r33 s ARG 843 Ca 0.04 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1r33 s ARG 843 Cb -0.07 -0.77 0.02 0.00 -1.56 0.00 0.00 34.95 32.57 1r33 s ARG 843 CO 0.00 0.19 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.38 1r33 s LEU 844 N -1.16 1.57 -0.09 -0.88 2.96 -0.34 -1.38 118.68 119.36 1r33 s LEU 844 Ca -0.01 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1r33 s LEU 844 Cb -0.08 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 1r33 s LEU 844 CO 0.01 -0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.94 1r33 s THR 845 N 1.26 2.70 -0.24 3.68 2.01 -0.06 -1.92 115.64 123.07 1r33 s THR 845 Ca -0.02 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 1r33 s THR 845 Cb -0.14 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1r33 s THR 845 CO -0.05 0.55 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.15 1r33 s LEU 846 N 0.03 3.09 0.06 4.42 2.96 0.28 -0.86 118.68 128.66 1r33 s LEU 846 Ca -0.06 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.04 1r33 s LEU 846 Cb -0.15 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1r33 s LEU 846 CO 0.05 -0.10 0.26 -0.76 -1.32 0.00 0.00 176.35 174.47 1r33 s LEU 847 N 1.35 4.34 0.17 -0.68 2.01 -0.44 -1.43 118.68 124.00 1r33 s LEU 847 Ca 0.01 0.42 0.09 0.00 0.01 0.00 0.00 54.13 54.67 1r33 s LEU 847 Cb -0.16 -2.96 -0.04 0.00 0.01 0.00 0.00 46.19 43.04 1r33 s LEU 847 CO -0.05 0.17 -0.20 0.42 1.01 0.00 0.00 176.35 177.70 1r33 s THR 848 N -1.49 1.96 -1.32 5.49 -4.23 0.78 -1.75 115.64 115.09 1r33 s THR 848 Ca 0.34 -1.96 0.19 0.00 -1.18 0.00 0.00 61.69 59.08 1r33 s THR 848 Cb -0.13 -1.92 0.65 0.00 1.34 0.00 0.00 72.50 72.44 1r33 s THR 848 CO 0.24 -0.27 1.56 0.61 -0.54 0.00 0.00 174.62 176.21 1r33 n GLY 849 N 0.26 2.75 3.52 3.99 0.00 -0.40 -4.76 105.19 110.56 1r33 n GLY 849 Ca -0.13 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1r33 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r33 s GLN 850 N -1.55 0.96 0.12 1.61 0.00 -1.26 -4.73 119.66 114.81 1r33 s GLN 850 Ca 0.47 0.13 -0.29 0.00 -0.00 0.00 0.00 55.36 55.67 1r33 s GLN 850 Cb 0.29 0.45 -0.06 0.00 0.00 0.00 0.00 33.01 33.68 1r33 s GLN 850 CO 0.26 -0.32 0.93 -1.25 0.00 0.00 0.00 175.29 174.91 1r33 s PRO 851 N -1.52 4.68 0.26 9.60 0.04 -1.25 -4.68 135.00 142.13 1r33 s PRO 851 Ca -0.07 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 1r33 s PRO 851 Cb -0.00 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1r33 s PRO 851 CO 0.05 0.26 0.35 -0.51 0.04 0.00 0.00 177.00 177.19 1r33 s LEU 852 N -0.14 0.82 0.19 -3.56 1.43 -1.07 -4.78 118.68 111.57 1r33 s LEU 852 Ca 0.45 -1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1r33 s LEU 852 Cb -0.23 1.18 -0.05 0.00 0.03 0.00 0.00 46.19 47.12 1r33 s LEU 852 CO 0.29 -1.07 0.40 -0.83 0.23 0.00 0.00 176.35 175.36 1r33 s GLY 853 N -3.13 1.88 0.20 -3.19 0.00 -0.97 -0.26 107.32 101.85 1r33 s GLY 853 Ca 0.31 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1r33 s GLY 853 CO 0.13 -0.71 0.76 0.61 0.00 0.00 0.00 173.10 173.90 1r33 n GLY 854 N -0.53 0.89 2.00 0.20 0.00 -0.62 -0.53 105.19 106.59 1r33 n GLY 854 Ca -0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 1r33 n GLY 854 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r33 n SER 855 N -1.24 -0.83 -3.63 1.61 2.88 -0.51 -0.96 113.62 110.94 1r33 n SER 855 Ca -0.04 -1.39 -0.29 0.00 -1.33 0.00 0.00 58.87 55.82 1r33 n SER 855 Cb 0.47 1.33 -0.14 0.00 -0.75 0.00 0.00 64.21 65.12 1r33 n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1r33 s SER 856 N -2.31 3.69 0.00 -3.46 0.15 -1.26 -0.80 113.70 109.72 1r33 s SER 856 Ca 0.13 -1.65 0.28 0.00 0.70 0.00 0.00 55.95 55.41 1r33 s SER 856 Cb -0.01 -0.63 1.00 0.00 -1.71 0.00 0.00 66.02 64.67 1r33 s SER 856 CO 0.02 -0.40 1.73 0.18 1.20 0.00 0.00 173.24 175.97 1r33 n LEU 857 N 4.80 0.40 -3.60 3.45 4.77 -1.26 -4.82 117.00 120.74 1r33 n LEU 857 Ca -0.01 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 1r33 n LEU 857 Cb 0.41 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1r33 n LEU 857 CO 0.10 0.08 0.27 0.00 -1.33 0.00 0.00 177.39 176.52 1r33 s ALA 858 N -2.75 -1.35 0.21 -1.18 0.00 -1.26 -5.09 121.76 110.34 1r33 s ALA 858 Ca 0.20 0.79 -0.32 0.00 0.00 0.00 0.00 51.96 52.63 1r33 s ALA 858 Cb 0.19 0.17 -0.15 0.00 0.00 0.00 0.00 23.12 23.33 1r33 s ALA 858 CO 0.55 -0.40 1.22 0.45 0.00 0.00 0.00 175.76 177.58 1r33 n SER 859 N 0.79 1.78 0.00 0.00 2.88 -1.17 -1.35 113.62 116.56 1r33 n SER 859 Ca -0.19 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1r33 n SER 859 Cb 0.58 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1r33 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r33 n GLY 860 N 1.92 0.96 3.72 0.46 0.00 -1.10 -4.89 105.19 106.26 1r33 n GLY 860 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1r33 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r33 s GLU 861 N -0.17 2.59 0.01 1.61 2.02 -0.46 -1.19 118.70 123.11 1r33 s GLU 861 Ca 0.00 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.91 1r33 s GLU 861 Cb 0.00 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 1r33 s GLU 861 CO 0.00 0.44 -0.03 -0.51 0.02 0.00 0.00 175.26 175.18 1r33 s LEU 862 N -3.25 2.07 0.01 1.80 1.43 -0.87 -4.51 118.68 115.37 1r33 s LEU 862 Ca 0.30 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1r33 s LEU 862 Cb -0.09 -0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.04 1r33 s LEU 862 CO 0.21 -0.05 0.22 -1.83 0.23 0.00 0.00 176.35 175.14 1r33 s GLU 863 N -0.45 0.64 -0.13 1.70 -1.05 0.02 -0.16 118.70 119.27 1r33 s GLU 863 Ca -0.03 -0.42 -0.07 0.00 -0.15 0.00 0.00 54.97 54.30 1r33 s GLU 863 Cb -0.03 0.27 0.05 0.00 -0.44 0.00 0.00 34.13 33.98 1r33 s GLU 863 CO -0.00 -0.18 0.31 -1.50 0.95 0.00 0.00 175.26 174.84 1r33 s ILE 864 N -1.87 -0.06 0.25 1.83 2.07 0.07 -1.42 121.20 122.07 1r33 s ILE 864 Ca -0.10 0.13 -0.30 0.00 -1.41 0.00 0.00 60.65 58.97 1r33 s ILE 864 Cb -0.04 -0.47 -0.09 0.00 0.13 0.00 0.00 42.46 41.99 1r33 s ILE 864 CO 0.00 0.05 1.21 -0.32 -1.91 0.00 0.00 174.94 173.98 1r33 s MET 865 N 1.37 4.49 -0.22 3.50 -2.45 0.31 -1.21 119.30 125.09 1r33 s MET 865 Ca -0.09 1.97 -0.10 0.00 -1.25 0.00 0.00 55.69 56.21 1r33 s MET 865 Cb -0.10 -3.17 -0.19 0.00 1.25 0.00 0.00 34.83 32.62 1r33 s MET 865 CO -0.10 -0.05 0.01 1.04 1.05 0.00 0.00 175.02 176.97 1r33 n GLN 866 N 1.70 0.64 -3.61 4.11 1.13 0.15 -4.47 117.38 117.03 1r33 n GLN 866 Ca 0.02 0.32 -0.08 0.00 -1.94 0.00 0.00 57.00 55.32 1r33 n GLN 866 Cb 0.44 -1.62 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 1r33 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1r33 s ASP 867 N -6.99 -0.34 -0.10 1.08 -1.08 -1.22 -4.84 116.67 103.18 1r33 s ASP 867 Ca -0.31 -0.21 -0.08 0.00 -0.52 0.00 0.00 52.55 51.43 1r33 s ASP 867 Cb 0.09 0.52 0.03 0.00 -1.46 0.00 0.00 42.92 42.10 1r33 s ASP 867 CO 0.61 -0.90 0.25 0.00 0.52 0.00 0.00 175.17 175.65 1r33 s ARG 868 N -3.44 0.28 -0.14 4.34 1.70 -1.26 -1.21 118.95 119.21 1r33 s ARG 868 Ca 0.07 0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 55.70 1r33 s ARG 868 Cb -0.02 0.10 0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1r33 s ARG 868 CO -0.04 -0.06 -0.04 0.50 -1.08 0.00 0.00 175.30 174.58 1r33 s ARG 869 N 0.33 1.23 -0.12 3.89 3.52 -0.26 -4.86 118.95 122.68 1r33 s ARG 869 Ca -0.02 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 1r33 s ARG 869 Cb -0.03 -1.76 0.02 0.00 -1.56 0.00 0.00 34.95 31.62 1r33 s ARG 869 CO -0.01 -0.40 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.41 1r33 s LEU 870 N 1.73 1.74 0.26 -0.88 1.43 -0.11 -0.99 118.68 121.86 1r33 s LEU 870 Ca 0.02 -0.44 0.13 0.00 -1.03 0.00 0.00 54.13 52.80 1r33 s LEU 870 Cb -0.14 -1.12 0.24 0.00 0.03 0.00 0.00 46.19 45.19 1r33 s LEU 870 CO -0.07 0.01 1.53 0.00 0.23 0.00 0.00 176.35 178.04 1r33 h ALA 871 N 7.49 0.76 -2.42 4.21 0.00 -1.88 0.46 119.26 127.88 1r33 h ALA 871 Ca -0.32 -0.58 -0.52 0.00 0.00 0.00 0.00 54.91 53.49 1r33 h ALA 871 Cb 1.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1r33 h ALA 871 CO 0.50 0.80 -0.48 -1.12 0.00 0.00 0.00 179.25 178.95 1r33 s SER 872 N -6.63 6.11 0.29 0.00 0.01 -1.26 -4.16 113.70 108.05 1r33 s SER 872 Ca 0.01 0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.11 1r33 s SER 872 Cb 0.11 -1.76 -0.09 0.00 0.21 0.00 0.00 66.02 64.48 1r33 s SER 872 CO 0.75 0.01 0.79 -0.62 0.41 0.00 0.00 173.24 174.58 1r33 s ASP 873 N -3.51 7.02 -0.37 2.44 -1.08 -1.26 -3.98 116.67 115.92 1r33 s ASP 873 Ca 0.34 1.48 0.07 0.00 -0.52 0.00 0.00 52.55 53.92 1r33 s ASP 873 Cb -0.10 -2.45 0.63 0.00 -1.46 0.00 0.00 42.92 39.55 1r33 s ASP 873 CO 0.27 -0.09 1.76 -0.90 0.52 0.00 0.00 175.17 176.73 1r33 n ASP 874 N 0.28 3.59 -2.76 -0.34 5.68 -1.26 -4.83 116.55 116.90 1r33 n ASP 874 Ca 0.01 -3.57 -0.21 0.00 -0.50 0.00 0.00 54.79 50.52 1r33 n ASP 874 Cb 0.52 -0.76 0.01 0.00 -1.14 0.00 0.00 41.12 39.75 1r33 n ASP 874 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1r33 n GLU 875 N -0.95 -3.39 -0.14 0.11 1.02 -1.26 -4.86 120.64 111.17 1r33 n GLU 875 Ca 0.48 0.90 0.07 0.00 -0.02 0.00 0.00 57.16 58.58 1r33 n GLU 875 Cb 1.42 -5.66 0.13 0.00 -0.02 0.00 0.00 31.44 27.31 1r33 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1r33 n ARG 876 N -3.54 2.27 0.00 3.49 5.12 -1.26 -5.00 116.66 117.74 1r33 n ARG 876 Ca -0.16 -2.29 0.00 0.00 -1.93 0.00 0.00 57.85 53.47 1r33 n ARG 876 Cb 0.64 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1r33 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r33 n GLY 877 N -0.76 1.04 0.19 -0.13 0.00 -1.26 -4.95 105.19 99.33 1r33 n GLY 877 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 1r33 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r33 h LEU 878 N 0.00 0.27 1.04 0.99 5.85 -1.94 -3.47 115.31 118.05 1r33 h LEU 878 Ca 0.00 -0.12 -0.22 0.00 0.84 0.00 0.00 57.88 58.38 1r33 h LEU 878 Cb 0.00 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1r33 h LEU 878 CO 0.00 0.69 -0.24 0.61 -0.34 0.00 0.00 178.44 179.16 1r33 n GLY 879 N -0.10 0.54 3.63 3.75 0.00 -1.26 -4.83 105.19 106.93 1r33 n GLY 879 Ca -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1r33 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r33 s GLN 880 N -3.75 1.23 0.00 1.61 -2.07 -1.26 -4.99 119.66 110.42 1r33 s GLN 880 Ca 0.00 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 52.95 1r33 s GLN 880 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1r33 s GLN 880 CO 0.00 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.83 1r33 n GLY 881 N -0.39 0.93 3.04 2.60 0.00 -1.26 -4.12 105.19 106.00 1r33 n GLY 881 Ca -0.09 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1r33 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r33 s VAL 882 N 1.06 2.84 -0.08 1.61 1.01 0.16 -4.89 120.40 122.12 1r33 s VAL 882 Ca 0.00 -2.66 0.12 0.00 0.00 0.00 0.00 61.98 59.44 1r33 s VAL 882 Cb 0.00 -2.98 0.18 0.00 0.00 0.00 0.00 36.38 33.58 1r33 s VAL 882 CO 0.00 -0.72 1.08 0.18 0.00 0.00 0.00 175.10 175.63 1r33 n LEU 883 N 3.88 1.60 -1.59 3.92 4.77 -1.26 -0.94 117.00 127.39 1r33 n LEU 883 Ca 0.04 -2.34 -0.08 0.00 -0.03 0.00 0.00 56.01 53.60 1r33 n LEU 883 Cb 0.38 -0.27 0.23 0.00 -2.33 0.00 0.00 43.42 41.43 1r33 n LEU 883 CO 0.30 0.55 0.93 -0.90 -1.33 0.00 0.00 177.39 176.93 1r33 n ASP 884 N -0.93 3.51 -4.67 -1.43 3.85 -1.26 -5.04 116.55 110.58 1r33 n ASP 884 Ca 0.10 -3.51 -0.38 0.00 -0.71 0.00 0.00 54.79 50.28 1r33 n ASP 884 Cb 0.62 -0.70 0.05 0.00 -1.35 0.00 0.00 41.12 39.74 1r33 n ASP 884 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1r33 n ASN 885 N -0.84 1.55 -4.01 -1.12 4.13 -1.26 -5.03 115.26 108.68 1r33 n ASN 885 Ca 0.40 0.88 -0.08 0.00 1.68 0.00 0.00 54.58 57.47 1r33 n ASN 885 Cb 1.27 -1.46 -0.09 0.00 -1.54 0.00 0.00 39.78 37.95 1r33 n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1r33 s LYS 886 N -2.81 0.75 0.22 3.52 -2.85 -1.26 -4.96 119.74 112.34 1r33 s LYS 886 Ca 0.74 -1.15 -0.32 0.00 -1.00 0.00 0.00 55.97 54.25 1r33 s LYS 886 Cb -0.43 0.27 -0.13 0.00 -2.06 0.00 0.00 37.83 35.48 1r33 s LYS 886 CO 0.48 -0.19 1.53 -2.30 0.10 0.00 0.00 175.35 174.96 1r33 n PRO 887 N 0.02 2.26 -4.21 1.78 -0.02 -1.26 -4.82 135.00 128.74 1r33 n PRO 887 Ca -0.13 0.81 -0.16 0.00 -2.02 0.00 0.00 63.50 61.99 1r33 n PRO 887 Cb 0.62 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 1r33 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1r33 s VAL 888 N 0.41 0.55 -0.49 -1.45 0.11 -0.82 -4.92 120.40 113.79 1r33 s VAL 888 Ca 0.72 -0.42 -0.14 0.00 -2.93 0.00 0.00 61.98 59.21 1r33 s VAL 888 Cb -0.62 -0.48 0.10 0.00 -1.53 0.00 0.00 36.38 33.85 1r33 s VAL 888 CO 0.44 0.07 0.41 -0.22 -3.33 0.00 0.00 175.10 172.47 1r33 s LEU 889 N -0.38 5.79 0.09 2.54 2.96 -1.26 -0.24 118.68 128.17 1r33 s LEU 889 Ca 0.01 -1.60 -0.22 0.00 -0.22 0.00 0.00 54.13 52.10 1r33 s LEU 889 Cb -0.04 -2.15 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 1r33 s LEU 889 CO -0.00 -0.72 0.65 -1.00 -1.32 0.00 0.00 176.35 173.96 1r33 s HIS 890 N 1.56 3.81 0.12 5.38 3.76 -0.08 -4.91 115.29 124.93 1r33 s HIS 890 Ca 0.04 1.39 0.08 0.00 -0.15 0.00 0.00 55.06 56.42 1r33 s HIS 890 Cb -0.27 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1r33 s HIS 890 CO 0.04 0.50 -0.21 0.96 -0.85 0.00 0.00 174.74 175.18 1r33 s ILE 891 N -0.88 1.78 0.19 0.60 -4.36 -1.26 -0.71 121.20 116.55 1r33 s ILE 891 Ca 0.32 -1.64 -0.13 0.00 -0.26 0.00 0.00 60.65 58.94 1r33 s ILE 891 Cb -0.20 -1.65 0.01 0.00 1.25 0.00 0.00 42.46 41.86 1r33 s ILE 891 CO 0.21 -0.10 0.41 -0.31 0.24 0.00 0.00 174.94 175.39 1r33 s TYR 892 N -1.33 0.16 -0.02 1.37 1.51 0.13 -1.27 117.35 117.91 1r33 s TYR 892 Ca 0.09 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1r33 s TYR 892 Cb -0.09 0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.91 1r33 s TYR 892 CO 0.05 -0.83 -0.18 1.03 -1.11 0.00 0.00 175.55 174.51 1r33 s ARG 893 N -3.93 1.50 -0.25 -0.62 1.81 -0.71 -1.03 118.95 115.71 1r33 s ARG 893 Ca 0.14 -0.65 0.01 0.00 -1.72 0.00 0.00 55.73 53.51 1r33 s ARG 893 Cb 0.01 -1.44 0.04 0.00 -0.45 0.00 0.00 34.95 33.12 1r33 s ARG 893 CO -0.00 0.38 -0.09 -1.17 -0.68 0.00 0.00 175.30 173.73 1r33 s LEU 894 N -0.38 3.24 -0.32 2.53 2.96 -0.76 -1.33 118.68 124.62 1r33 s LEU 894 Ca 0.06 -1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 52.83 1r33 s LEU 894 Cb -0.07 -1.60 0.05 0.00 0.50 0.00 0.00 46.19 45.07 1r33 s LEU 894 CO -0.00 -0.15 0.05 -0.69 -1.32 0.00 0.00 176.35 174.24 1r33 s VAL 895 N 1.22 3.24 -0.16 1.68 1.01 -0.04 -3.70 120.40 123.65 1r33 s VAL 895 Ca -0.03 -1.40 -0.13 0.00 0.00 0.00 0.00 61.98 60.41 1r33 s VAL 895 Cb -0.18 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1r33 s VAL 895 CO -0.05 -0.20 0.26 -0.22 0.00 0.00 0.00 175.10 174.88 1r33 s LEU 896 N 1.28 4.25 0.06 3.92 2.96 -1.26 -0.89 118.68 129.01 1r33 s LEU 896 Ca -0.03 0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.28 1r33 s LEU 896 Cb -0.20 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 1r33 s LEU 896 CO -0.00 0.14 0.16 -1.61 -1.32 0.00 0.00 176.35 173.71 1r33 s GLU 897 N 0.31 0.74 -0.01 1.98 2.02 -0.48 -5.02 118.70 118.25 1r33 s GLU 897 Ca 0.15 -0.85 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 1r33 s GLU 897 Cb -0.13 0.30 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1r33 s GLU 897 CO 0.03 -0.21 0.56 0.15 0.02 0.00 0.00 175.26 175.81 1r33 s LYS 898 N -3.28 4.27 -0.02 1.61 -0.14 -1.26 -1.17 119.74 119.74 1r33 s LYS 898 Ca 0.01 0.67 0.03 0.00 -1.36 0.00 0.00 55.97 55.32 1r33 s LYS 898 Cb 0.02 -3.33 0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1r33 s LYS 898 CO -0.08 0.41 0.92 1.33 -0.76 0.00 0.00 175.35 177.17 1r33 n VAL 899 N 2.60 0.86 0.29 3.17 0.24 0.71 -4.77 118.33 121.43 1r33 n VAL 899 Ca -0.08 -0.92 0.16 0.00 -2.04 0.00 0.00 64.34 61.45 1r33 n VAL 899 Cb 0.51 0.49 0.88 0.00 -1.47 0.00 0.00 33.84 34.25 1r33 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1r33 h ASN 900 N 0.00 0.00 0.06 -1.34 -1.07 -1.63 -1.54 115.58 110.07 1r33 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1r33 h ASN 900 Cb 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 1r33 h ASN 900 CO 0.00 0.05 -0.20 0.59 0.07 0.00 0.00 177.43 177.95 1r33 n ASN 901 N -3.57 1.75 -4.75 6.14 3.02 -1.26 -4.95 115.26 111.64 1r33 n ASN 901 Ca -0.02 -1.40 -0.40 0.00 -0.03 0.00 0.00 54.58 52.73 1r33 n ASN 901 Cb 0.16 0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1r33 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r33 s VAL 903 N -1.13 4.06 0.34 0.00 1.01 0.19 -4.99 120.40 119.87 1r33 s VAL 903 Ca 0.41 0.70 0.07 0.00 0.00 0.00 0.00 61.98 63.17 1r33 s VAL 903 Cb -0.26 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 1r33 s VAL 903 CO 0.32 -1.37 0.31 -0.13 0.00 0.00 0.00 175.10 174.23 1r33 s ARG 904 N 4.84 2.72 0.79 2.72 0.52 -1.26 -4.44 118.95 124.85 1r33 s ARG 904 Ca 0.39 -1.30 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 1r33 s ARG 904 Cb -0.09 -2.48 0.07 0.00 0.52 0.00 0.00 34.95 32.97 1r33 s ARG 904 CO 0.23 0.07 1.10 -2.14 0.02 0.00 0.00 175.30 174.58 1r33 s PRO 905 N -4.01 2.07 1.07 3.54 0.02 -1.26 -4.89 135.00 131.53 1r33 s PRO 905 Ca 0.42 1.24 -0.12 0.00 0.02 0.00 0.00 61.00 62.55 1r33 s PRO 905 Cb -0.06 -1.87 0.23 0.00 0.02 0.00 0.00 34.50 32.82 1r33 s PRO 905 CO 0.27 -1.79 1.06 -1.54 -0.33 0.00 0.00 177.00 174.67 1r33 s SER 906 N -3.26 1.90 0.60 2.53 1.04 -1.26 -4.89 113.70 110.37 1r33 s SER 906 Ca 0.62 1.40 0.32 0.00 0.48 0.00 0.00 55.95 58.77 1r33 s SER 906 Cb -0.18 -2.11 1.91 0.00 0.10 0.00 0.00 66.02 65.73 1r33 s SER 906 CO 0.56 -3.61 2.26 0.11 0.98 0.00 0.00 173.24 173.54 1r33 h LYS 907 N -2.22 0.00 -0.02 4.02 1.57 -2.00 -2.02 116.57 115.90 1r33 h LYS 907 Ca -0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1r33 h LYS 907 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1r33 h LYS 907 CO 0.53 0.00 -0.12 1.28 -0.57 0.00 0.00 179.45 180.57 1r33 n LEU 908 N -3.71 1.82 -4.74 2.94 4.77 -1.26 -4.91 117.00 111.91 1r33 n LEU 908 Ca -0.03 -0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 54.95 1r33 n LEU 908 Cb 0.11 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1r33 n LEU 908 CO 0.26 0.31 0.78 -2.28 -1.33 0.00 0.00 177.39 175.13 1r33 s HIS 909 N -2.18 3.62 -1.74 -1.77 2.46 -0.76 -4.94 115.29 109.99 1r33 s HIS 909 Ca 0.30 1.62 0.29 0.00 0.47 0.00 0.00 55.06 57.75 1r33 s HIS 909 Cb 0.20 -3.25 1.35 0.00 -0.13 0.00 0.00 32.58 30.75 1r33 s HIS 909 CO 0.40 -0.51 1.93 -0.35 -2.47 0.00 0.00 174.74 173.74 1r33 n PRO 910 N 2.41 0.77 -3.81 2.88 -0.05 -1.26 -4.89 135.00 131.04 1r33 n PRO 910 Ca 0.03 -0.22 -0.22 0.00 -0.05 0.00 0.00 63.50 63.04 1r33 n PRO 910 Cb 0.46 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.38 1r33 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1r33 s ALA 911 N -2.38 3.82 0.13 0.55 0.00 -1.26 -0.93 121.76 121.69 1r33 s ALA 911 Ca 0.32 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1r33 s ALA 911 Cb 0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1r33 s ALA 911 CO 0.45 -0.06 -0.04 0.20 0.00 0.00 0.00 175.76 176.31 1r33 s GLY 912 N -4.00 0.94 0.03 0.00 0.00 -0.83 -4.75 107.32 98.71 1r33 s GLY 912 Ca 0.42 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1r33 s GLY 912 CO 0.26 -1.49 -0.06 -0.19 0.00 0.00 0.00 173.10 171.63 1r33 s TYR 913 N -3.62 0.48 0.72 1.90 1.51 -1.26 -4.01 117.35 113.08 1r33 s TYR 913 Ca 0.16 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.69 1r33 s TYR 913 Cb 0.05 -0.30 0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1r33 s TYR 913 CO -0.01 -0.10 1.09 -0.51 -1.11 0.00 0.00 175.55 174.90 1r33 s LEU 914 N -1.26 2.86 0.58 -1.29 1.43 -1.26 -4.72 118.68 115.03 1r33 s LEU 914 Ca -0.10 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1r33 s LEU 914 Cb -0.08 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1r33 s LEU 914 CO -0.00 -1.50 0.83 0.42 0.23 0.00 0.00 176.35 176.33 1r33 s THR 915 N -3.24 2.77 0.18 5.49 -4.23 -1.26 -1.18 115.64 114.16 1r33 s THR 915 Ca 0.59 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 60.45 1r33 s THR 915 Cb -0.12 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.71 1r33 s THR 915 CO 0.53 -0.06 1.78 -1.28 -0.54 0.00 0.00 174.62 175.05 1r33 h SER 916 N -0.07 0.35 -0.70 3.99 0.87 -1.94 -0.69 113.55 115.36 1r33 h SER 916 Ca -0.43 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.12 1r33 h SER 916 Cb 1.29 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1r33 h SER 916 CO 0.55 0.24 0.30 0.00 -0.53 0.00 0.00 176.83 177.39 1r33 h ALA 917 N 1.26 1.18 -0.14 6.23 0.00 -1.99 0.02 119.26 125.82 1r33 h ALA 917 Ca 0.21 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1r33 h ALA 917 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1r33 h ALA 917 CO -0.15 0.60 -0.63 0.00 0.00 0.00 0.00 179.25 179.06 1r33 h ALA 918 N 1.30 0.63 -0.28 0.00 0.00 -1.83 -0.69 119.26 118.39 1r33 h ALA 918 Ca 0.24 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1r33 h ALA 918 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r33 h ALA 918 CO -0.02 0.71 -0.07 1.25 0.00 0.00 0.00 179.25 181.12 1r33 h HIS 919 N 0.38 0.62 -0.32 0.00 2.76 -0.86 -1.08 115.15 116.64 1r33 h HIS 919 Ca -0.01 -0.13 -0.07 0.00 -2.20 0.00 0.00 60.37 57.95 1r33 h HIS 919 Cb 1.19 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.99 1r33 h HIS 919 CO 0.05 0.75 -0.11 0.87 -1.30 0.00 0.00 177.93 178.19 1r33 h LYS 920 N 0.30 0.54 -0.69 5.26 1.57 -0.91 -1.33 116.57 121.31 1r33 h LYS 920 Ca 0.07 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1r33 h LYS 920 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1r33 h LYS 920 CO 0.03 0.65 0.36 0.00 -0.57 0.00 0.00 179.45 179.92 1r33 h ALA 921 N 1.39 0.89 -0.51 3.86 0.00 -0.91 -0.61 119.26 123.38 1r33 h ALA 921 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r33 h ALA 921 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1r33 h ALA 921 CO 0.03 0.42 0.27 1.03 0.00 0.00 0.00 179.25 181.00 1r33 h SER 922 N 0.96 0.64 -0.13 0.00 0.87 -0.63 -2.34 113.55 112.91 1r33 h SER 922 Ca 0.24 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1r33 h SER 922 Cb 0.07 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1r33 h SER 922 CO -0.04 0.55 0.03 1.56 -0.53 0.00 0.00 176.83 178.41 1r33 h GLN 923 N 0.67 0.27 0.00 2.24 4.20 -0.81 -1.51 115.11 120.18 1r33 h GLN 923 Ca 0.18 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1r33 h GLN 923 Cb 0.06 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1r33 h GLN 923 CO -0.03 0.27 -0.29 0.66 -0.67 0.00 0.00 178.83 178.77 1r33 h SER 924 N 0.27 0.00 0.15 1.46 4.64 -0.58 0.80 113.55 120.29 1r33 h SER 924 Ca 0.07 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.10 1r33 h SER 924 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1r33 h SER 924 CO -0.00 0.29 -1.42 -0.07 -0.87 0.00 0.00 176.83 174.76 1r33 h LEU 925 N 0.00 0.49 0.04 5.97 3.38 -1.07 -3.35 115.31 120.78 1r33 h LEU 925 Ca -0.00 -0.90 -0.30 0.00 0.09 0.00 0.00 57.88 56.78 1r33 h LEU 925 Cb 0.59 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1r33 h LEU 925 CO 0.04 1.64 -1.62 -0.07 0.09 0.00 0.00 178.44 178.51 1r33 h LEU 926 N -0.17 0.15 -6.00 1.67 3.38 -1.26 -3.41 115.31 109.66 1r33 h LEU 926 Ca -0.29 -0.26 -0.56 0.00 0.09 0.00 0.00 57.88 56.86 1r33 h LEU 926 Cb 1.86 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 42.16 1r33 h LEU 926 CO 0.12 1.23 -0.98 0.47 0.09 0.00 0.00 178.44 179.37 1r33 n ASP 927 N -3.24 1.36 -4.38 -0.43 8.00 0.27 -4.63 116.55 113.50 1r33 n ASP 927 Ca -0.17 -2.97 -0.29 0.00 0.71 0.00 0.00 54.79 52.07 1r33 n ASP 927 Cb 1.04 -0.64 0.19 0.00 -0.02 0.00 0.00 41.12 41.69 1r33 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1r33 s PRO 928 N -1.81 -0.02 0.51 -0.24 0.04 -1.25 -4.71 135.00 127.52 1r33 s PRO 928 Ca 0.38 0.21 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1r33 s PRO 928 Cb 0.20 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.97 1r33 s PRO 928 CO -0.08 -2.96 1.26 -0.51 0.04 0.00 0.00 177.00 174.74 1r33 s LEU 929 N -6.52 3.91 0.03 -3.56 1.43 -1.26 -4.73 118.68 107.99 1r33 s LEU 929 Ca 0.67 2.54 -0.09 0.00 -1.03 0.00 0.00 54.13 56.23 1r33 s LEU 929 Cb -0.14 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 1r33 s LEU 929 CO 0.56 -1.28 0.33 -1.81 0.23 0.00 0.00 176.35 174.38 1r33 s ASP 930 N -1.17 6.58 -0.08 2.29 1.01 -0.37 -4.91 116.67 120.03 1r33 s ASP 930 Ca 0.68 0.69 0.05 0.00 0.71 0.00 0.00 52.55 54.68 1r33 s ASP 930 Cb -0.35 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 1r33 s ASP 930 CO 0.41 0.23 -0.23 -0.54 0.21 0.00 0.00 175.17 175.25 1r33 s LYS 931 N -1.75 2.64 -0.05 8.23 1.02 -1.26 -0.80 119.74 127.77 1r33 s LYS 931 Ca 0.29 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.51 1r33 s LYS 931 Cb -0.14 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1r33 s LYS 931 CO 0.16 0.25 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.58 1r33 s PHE 932 N 0.15 2.02 -0.18 3.18 0.40 0.78 -1.02 117.98 123.31 1r33 s PHE 932 Ca -0.12 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.58 1r33 s PHE 932 Cb -0.16 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1r33 s PHE 932 CO 0.06 -0.19 -0.05 0.42 0.70 0.00 0.00 175.22 176.15 1r33 s ILE 933 N -0.03 3.52 0.17 0.64 1.01 -0.02 -1.12 121.20 125.37 1r33 s ILE 933 Ca -0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 1r33 s ILE 933 Cb -0.13 -2.56 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 1r33 s ILE 933 CO 0.03 0.47 1.52 0.12 0.00 0.00 0.00 174.94 177.08 1r33 s PHE 934 N 0.85 3.09 0.03 3.97 5.36 -0.78 -1.15 117.98 129.34 1r33 s PHE 934 Ca -0.01 0.73 -0.17 0.00 -0.96 0.00 0.00 56.93 56.52 1r33 s PHE 934 Cb -0.15 -3.87 -0.29 0.00 -0.34 0.00 0.00 43.02 38.37 1r33 s PHE 934 CO 0.01 -3.16 1.07 0.00 -1.46 0.00 0.00 175.22 171.68 1r33 h ALA 935 N 6.57 -0.01 -2.17 11.12 0.00 -0.69 -3.46 119.26 130.62 1r33 h ALA 935 Ca -0.43 -0.73 -0.45 0.00 0.00 0.00 0.00 54.91 53.29 1r33 h ALA 935 Cb 1.21 0.10 0.15 0.00 0.00 0.00 0.00 17.79 19.24 1r33 h ALA 935 CO 0.89 0.59 0.41 -1.21 0.00 0.00 0.00 179.25 179.94 1r33 s GLU 936 N -2.94 1.01 0.16 0.00 2.02 -1.26 -5.00 118.70 112.70 1r33 s GLU 936 Ca -0.11 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 1r33 s GLU 936 Cb 0.05 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.40 1r33 s GLU 936 CO 0.90 -2.18 1.40 -0.91 0.02 0.00 0.00 175.26 174.49 1r33 h ASN 937 N -1.46 0.50 -3.58 -0.19 2.35 -1.97 -3.45 115.58 107.77 1r33 h ASN 937 Ca -0.45 -0.35 -0.39 0.00 -0.55 0.00 0.00 56.30 54.56 1r33 h ASN 937 Cb 1.26 -0.15 -0.33 0.00 0.05 0.00 0.00 38.32 39.16 1r33 h ASN 937 CO 0.45 1.11 -0.77 -0.70 -1.65 0.00 0.00 177.43 175.87 1r33 s GLU 938 N -3.52 0.74 -0.63 0.81 2.12 -1.26 -4.96 118.70 112.01 1r33 s GLU 938 Ca -0.06 -0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.02 1r33 s GLU 938 Cb 0.10 -0.74 0.16 0.00 0.26 0.00 0.00 34.13 33.91 1r33 s GLU 938 CO 0.85 -0.03 0.54 -0.46 -0.54 0.00 0.00 175.26 175.62 1r33 s TRP 939 N 0.65 3.48 0.05 5.30 -0.00 -1.26 -5.05 118.94 122.10 1r33 s TRP 939 Ca -0.09 -1.83 -0.30 0.00 -0.00 0.00 0.00 56.10 53.88 1r33 s TRP 939 Cb -0.12 -3.66 -0.05 0.00 -0.00 0.00 0.00 33.47 29.64 1r33 s TRP 939 CO 0.00 -0.98 1.17 0.42 -0.00 0.00 0.00 176.95 177.56 1r33 s ILE 940 N 0.88 4.16 0.00 5.86 1.01 -1.26 -3.29 121.20 128.57 1r33 s ILE 940 Ca 0.10 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1r33 s ILE 940 Cb -0.21 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1r33 s ILE 940 CO -0.03 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1r33 n GLY 941 N 3.19 0.68 3.71 6.18 0.00 -1.26 -4.78 105.19 112.90 1r33 n GLY 941 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1r33 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r33 n ALA 942 N 0.09 1.38 -2.50 4.61 0.00 -1.21 -0.95 120.51 121.94 1r33 n ALA 942 Ca 0.00 0.30 -0.26 0.00 0.00 0.00 0.00 53.44 53.48 1r33 n ALA 942 Cb 0.00 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 1r33 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r33 s GLN 943 N -2.10 1.78 0.25 0.00 -0.21 0.11 -4.87 119.66 114.62 1r33 s GLN 943 Ca 0.59 -1.52 0.23 0.00 0.02 0.00 0.00 55.36 54.68 1r33 s GLN 943 Cb -0.52 -1.94 0.25 0.00 1.00 0.00 0.00 33.01 31.80 1r33 s GLN 943 CO 0.60 0.39 1.34 0.78 -2.12 0.00 0.00 175.29 176.27 1r33 h GLY 944 N 2.74 0.00 -3.56 3.09 0.00 -1.93 -3.43 103.07 99.98 1r33 h GLY 944 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1r33 h GLY 944 CO 0.54 0.00 0.28 1.62 0.00 0.00 0.00 176.54 178.97 1r33 s GLN 945 N -3.25 1.07 -0.01 4.80 0.74 -1.26 -0.91 119.66 120.84 1r33 s GLN 945 Ca 0.04 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.34 1r33 s GLN 945 Cb 0.09 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.71 1r33 s GLN 945 CO 0.72 -0.41 -0.01 0.12 -0.55 0.00 0.00 175.29 175.17 1r33 s PHE 946 N -2.45 0.12 0.00 1.67 5.36 -0.69 -4.88 117.98 117.10 1r33 s PHE 946 Ca -0.03 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1r33 s PHE 946 Cb -0.01 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.56 1r33 s PHE 946 CO -0.02 -0.02 0.00 0.41 -1.46 0.00 0.00 175.22 174.12 1r33 n GLY 947 N 3.27 0.70 0.33 13.12 0.00 -1.26 -0.93 105.19 120.42 1r33 n GLY 947 Ca -0.15 -0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.05 1r33 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r33 h GLY 948 N 0.00 0.00 -2.14 -0.02 0.00 -1.90 0.24 103.07 99.26 1r33 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r33 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1r33 n ASP 949 N -3.28 3.23 -4.76 0.19 5.75 -1.26 -4.94 116.55 111.49 1r33 n ASP 949 Ca -0.03 -1.96 -0.40 0.00 -0.01 0.00 0.00 54.79 52.39 1r33 n ASP 949 Cb 0.08 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.85 1r33 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1r33 s HIS 950 N -1.45 3.52 0.32 2.11 3.76 0.07 -4.98 115.29 118.65 1r33 s HIS 950 Ca 0.39 1.65 -0.29 0.00 -0.15 0.00 0.00 55.06 56.67 1r33 s HIS 950 Cb 0.22 -3.33 -0.11 0.00 1.11 0.00 0.00 32.58 30.48 1r33 s HIS 950 CO 0.31 -0.71 1.47 -2.14 -0.85 0.00 0.00 174.74 172.82 1r33 s PRO 951 N -1.36 4.19 -0.58 8.40 0.02 -1.26 -4.69 135.00 139.71 1r33 s PRO 951 Ca 0.46 2.46 -0.17 0.00 0.02 0.00 0.00 61.00 63.77 1r33 s PRO 951 Cb -0.33 -3.03 0.13 0.00 0.02 0.00 0.00 34.50 31.30 1r33 s PRO 951 CO 0.42 -0.48 0.58 0.45 -0.33 0.00 0.00 177.00 177.64 1r33 s SER 952 N 0.05 6.24 0.72 2.53 0.15 -1.26 -4.65 113.70 117.48 1r33 s SER 952 Ca 0.56 -1.77 -0.12 0.00 0.70 0.00 0.00 55.95 55.33 1r33 s SER 952 Cb -0.45 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1r33 s SER 952 CO 0.54 -0.91 1.08 0.00 1.20 0.00 0.00 173.24 175.15 1r33 s ALA 953 N 1.80 2.47 0.43 5.45 0.00 0.35 -2.38 121.76 129.88 1r33 s ALA 953 Ca 0.07 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1r33 s ALA 953 Cb -0.27 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.51 1r33 s ALA 953 CO 0.03 -1.43 0.92 -2.13 0.00 0.00 0.00 175.76 173.14 1r33 n ARG 954 N -3.13 1.17 0.19 0.00 0.63 -1.26 -4.69 116.66 109.57 1r33 n ARG 954 Ca 0.09 0.42 0.17 0.00 -0.92 0.00 0.00 57.85 57.61 1r33 n ARG 954 Cb 0.53 -1.94 0.81 0.00 0.45 0.00 0.00 32.46 32.31 1r33 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1r33 h GLU 955 N 1.35 0.00 -0.01 -0.14 4.11 -1.96 -1.16 114.58 116.76 1r33 h GLU 955 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1r33 h GLU 955 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1r33 h GLU 955 CO 0.56 0.00 -0.04 -0.40 0.07 0.00 0.00 179.01 179.20 1r33 n ASP 956 N -3.85 0.97 -4.86 3.06 5.75 -1.26 -4.85 116.55 111.50 1r33 n ASP 956 Ca 0.02 -1.20 -0.37 0.00 -0.01 0.00 0.00 54.79 53.23 1r33 n ASP 956 Cb 0.34 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 1r33 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1r33 s LEU 957 N -2.11 4.38 0.03 -2.12 2.96 -0.44 -0.76 118.68 120.61 1r33 s LEU 957 Ca 0.38 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1r33 s LEU 957 Cb 0.21 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1r33 s LEU 957 CO 0.38 0.37 -0.10 -0.62 -1.32 0.00 0.00 176.35 175.07 1r33 s ASP 958 N -0.87 1.11 -0.85 3.68 2.15 0.28 -4.77 116.67 117.39 1r33 s ASP 958 Ca 0.15 -0.42 -0.16 0.00 0.43 0.00 0.00 52.55 52.56 1r33 s ASP 958 Cb -0.12 -0.04 0.19 0.00 -0.30 0.00 0.00 42.92 42.64 1r33 s ASP 958 CO 0.04 -0.06 0.89 -0.69 -0.17 0.00 0.00 175.17 175.18 1r33 s VAL 959 N -0.91 5.29 0.28 1.11 1.01 -1.26 -1.37 120.40 124.54 1r33 s VAL 959 Ca -0.03 -2.12 -0.03 0.00 0.00 0.00 0.00 61.98 59.80 1r33 s VAL 959 Cb -0.07 -4.57 0.24 0.00 0.00 0.00 0.00 36.38 31.97 1r33 s VAL 959 CO 0.01 -1.19 1.92 0.28 0.00 0.00 0.00 175.10 176.12 1r33 h SER 960 N 8.19 0.98 -3.70 3.32 0.02 -1.29 -3.43 113.55 117.64 1r33 h SER 960 Ca 0.11 -0.06 -0.28 0.00 -0.84 0.00 0.00 61.79 60.72 1r33 h SER 960 Cb 1.04 -0.25 -0.30 0.00 0.14 0.00 0.00 62.40 63.03 1r33 h SER 960 CO 0.89 0.76 -0.73 -0.69 -1.14 0.00 0.00 176.83 175.91 1r33 s VAL 961 N -5.83 0.11 -0.11 2.27 1.01 -1.13 -4.96 120.40 111.76 1r33 s VAL 961 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1r33 s VAL 961 Cb 0.17 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.45 1r33 s VAL 961 CO 0.80 0.06 -0.01 -0.32 0.00 0.00 0.00 175.10 175.63 1r33 s MET 962 N 0.27 0.89 -0.09 2.72 0.00 -1.26 -0.89 119.30 120.95 1r33 s MET 962 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 55.69 55.51 1r33 s MET 962 Cb -0.04 -1.41 0.05 0.00 0.00 0.00 0.00 34.83 33.43 1r33 s MET 962 CO -0.01 -0.37 0.17 0.50 0.00 0.00 0.00 175.02 175.31 1r33 s ARG 963 N 1.86 0.05 0.14 4.11 3.52 0.19 -3.37 118.95 125.47 1r33 s ARG 963 Ca 0.04 0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.88 1r33 s ARG 963 Cb -0.13 -0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 32.94 1r33 s ARG 963 CO -0.07 -0.28 1.25 0.50 -0.81 0.00 0.00 175.30 175.89 1r33 s ARG 964 N 2.13 4.43 0.00 5.12 3.52 -1.26 -0.29 118.95 132.60 1r33 s ARG 964 Ca 0.01 1.91 0.19 0.00 -0.13 0.00 0.00 55.73 57.71 1r33 s ARG 964 Cb -0.12 -3.26 -0.07 0.00 -1.56 0.00 0.00 34.95 29.94 1r33 s ARG 964 CO -0.06 -0.22 0.89 1.28 -0.81 0.00 0.00 175.30 176.38 1r33 n LEU 965 N 3.14 1.49 -4.42 -0.88 4.77 0.72 -4.90 117.00 116.92 1r33 n LEU 965 Ca 0.07 -0.68 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 1r33 n LEU 965 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1r33 n LEU 965 CO 0.57 0.30 -0.54 0.42 -1.33 0.00 0.00 177.39 176.81 1r33 s THR 966 N -2.33 2.49 0.70 -5.08 -4.23 -1.23 -4.95 115.64 101.01 1r33 s THR 966 Ca 0.13 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1r33 s THR 966 Cb 0.15 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.95 1r33 s THR 966 CO 0.56 0.17 1.02 -0.54 -0.54 0.00 0.00 174.62 175.29 1r33 s LYS 967 N -1.87 2.34 0.61 3.99 1.02 -1.26 -4.89 119.74 119.68 1r33 s LYS 967 Ca 0.15 -0.12 0.37 0.00 0.02 0.00 0.00 55.97 56.39 1r33 s LYS 967 Cb -0.10 -2.15 1.99 0.00 -0.52 0.00 0.00 37.83 37.05 1r33 s LYS 967 CO 0.07 -1.18 2.25 0.66 -0.92 0.00 0.00 175.35 176.23 1r33 h SER 968 N -0.59 0.00 0.79 2.83 4.64 -1.96 -2.39 113.55 116.87 1r33 h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1r33 h SER 968 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1r33 h SER 968 CO 0.61 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 1r33 n SER 969 N -3.37 0.05 -4.68 4.97 3.41 -1.26 -4.76 113.62 107.98 1r33 n SER 969 Ca -0.02 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 1r33 n SER 969 Cb 0.13 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1r33 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r33 s ALA 970 N -3.01 3.55 0.23 7.33 0.00 -0.90 -4.92 121.76 124.03 1r33 s ALA 970 Ca 0.10 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1r33 s ALA 970 Cb 0.14 -3.55 0.21 0.00 0.00 0.00 0.00 23.12 19.91 1r33 s ALA 970 CO 0.41 -0.90 1.90 -0.22 0.00 0.00 0.00 175.76 176.96 1r33 h LYS 971 N 7.71 1.13 -4.67 0.00 3.64 -1.91 -3.36 116.57 119.12 1r33 h LYS 971 Ca -0.32 -0.07 -0.69 0.00 -1.27 0.00 0.00 60.65 58.30 1r33 h LYS 971 Cb 1.15 -0.26 -0.23 0.00 -0.41 0.00 0.00 32.23 32.48 1r33 h LYS 971 CO 0.91 0.75 -0.52 0.99 -2.27 0.00 0.00 179.45 179.31 1r33 s THR 972 N -6.13 4.70 0.41 1.00 2.01 -1.26 -4.78 115.64 111.59 1r33 s THR 972 Ca -0.13 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 1r33 s THR 972 Cb 0.16 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 69.05 1r33 s THR 972 CO 0.80 -0.11 0.95 -1.10 -0.69 0.00 0.00 174.62 174.47 1r33 s GLN 973 N 1.60 4.30 -0.02 4.92 -1.52 -0.82 -4.86 119.66 123.26 1r33 s GLN 973 Ca 0.04 1.18 0.02 0.00 -1.95 0.00 0.00 55.36 54.65 1r33 s GLN 973 Cb -0.18 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 1r33 s GLN 973 CO 0.07 0.03 -0.07 1.03 -0.25 0.00 0.00 175.29 176.10 1r33 s ARG 974 N -2.91 0.74 -0.07 2.91 0.52 -1.26 -0.77 118.95 118.11 1r33 s ARG 974 Ca 0.59 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.58 1r33 s ARG 974 Cb -0.12 -0.72 0.01 0.00 0.52 0.00 0.00 34.95 34.65 1r33 s ARG 974 CO 0.16 0.11 -0.13 0.08 0.02 0.00 0.00 175.30 175.54 1r33 s VAL 975 N 0.11 1.19 -0.02 3.52 1.01 -0.01 -0.20 120.40 126.01 1r33 s VAL 975 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1r33 s VAL 975 Cb -0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1r33 s VAL 975 CO 0.00 0.37 0.07 -0.83 0.00 0.00 0.00 175.10 174.71 1r33 s GLY 976 N 0.70 1.99 -0.02 4.51 0.00 0.60 -0.89 107.32 114.22 1r33 s GLY 976 Ca -0.14 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1r33 s GLY 976 CO 0.03 -0.71 -0.11 -0.19 0.00 0.00 0.00 173.10 172.12 1r33 s TYR 977 N -1.14 1.04 -0.20 1.90 1.51 0.53 -0.64 117.35 120.35 1r33 s TYR 977 Ca 0.21 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1r33 s TYR 977 Cb -0.12 -0.71 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 1r33 s TYR 977 CO 0.12 -0.08 -0.06 0.08 -1.11 0.00 0.00 175.55 174.50 1r33 s VAL 978 N 0.02 3.31 -0.17 0.71 1.01 -0.06 -0.83 120.40 124.38 1r33 s VAL 978 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1r33 s VAL 978 Cb -0.07 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1r33 s VAL 978 CO 0.00 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 1r33 s LEU 979 N 1.27 3.19 -0.09 3.92 2.01 0.43 -0.73 118.68 128.68 1r33 s LEU 979 Ca 0.03 -0.18 0.03 0.00 0.01 0.00 0.00 54.13 54.02 1r33 s LEU 979 Cb -0.14 -1.78 0.01 0.00 0.01 0.00 0.00 46.19 44.28 1r33 s LEU 979 CO -0.02 0.13 -0.18 -2.28 1.01 0.00 0.00 176.35 175.00 1r33 s HIS 980 N 0.62 2.04 -0.18 0.29 5.65 -0.47 -1.14 115.29 122.10 1r33 s HIS 980 Ca -0.02 -0.83 -0.02 0.00 0.25 0.00 0.00 55.06 54.44 1r33 s HIS 980 Cb -0.14 -1.41 -0.01 0.00 -1.18 0.00 0.00 32.58 29.83 1r33 s HIS 980 CO 0.02 -0.37 -0.08 0.50 -0.65 0.00 0.00 174.74 174.16 1r33 s ARG 981 N 0.55 3.40 0.14 2.88 3.52 -0.67 -0.56 118.95 128.22 1r33 s ARG 981 Ca -0.16 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.79 1r33 s ARG 981 Cb -0.17 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 1r33 s ARG 981 CO 0.05 0.00 0.19 -2.37 -0.81 0.00 0.00 175.30 172.36 1r33 n THR 982 N 4.18 0.00 -4.01 4.11 5.66 0.06 -0.27 114.28 124.01 1r33 n THR 982 Ca -0.18 -0.23 -0.26 0.00 -3.05 0.00 0.00 64.05 60.33 1r33 n THR 982 Cb 0.52 -1.53 -0.17 0.00 -1.55 0.00 0.00 70.33 67.60 1r33 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1r33 s ASN 983 N -1.73 2.01 -0.02 1.09 2.47 -1.26 -3.71 114.94 113.79 1r33 s ASN 983 Ca 0.12 -0.27 0.03 0.00 0.42 0.00 0.00 52.86 53.15 1r33 s ASN 983 Cb -0.01 -0.79 -0.03 0.00 -1.45 0.00 0.00 41.25 38.98 1r33 s ASN 983 CO 0.08 -0.10 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.53 1r33 s LEU 984 N 1.54 3.15 0.34 3.21 1.43 -1.26 -4.22 118.68 122.88 1r33 s LEU 984 Ca 0.01 -0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1r33 s LEU 984 Cb -0.13 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 1r33 s LEU 984 CO -0.06 0.31 1.30 -0.04 0.23 0.00 0.00 176.35 178.09 1r33 s MET 985 N -1.23 4.29 -0.41 1.70 -1.94 -0.32 -4.97 119.30 116.41 1r33 s MET 985 Ca 0.16 2.19 -0.26 0.00 -1.71 0.00 0.00 55.69 56.06 1r33 s MET 985 Cb -0.11 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 33.74 1r33 s MET 985 CO 0.06 -0.23 0.97 -0.65 -0.01 0.00 0.00 175.02 175.15 1r33 s GLN 986 N -1.88 3.75 -0.07 2.03 -1.52 -1.26 -4.67 119.66 116.04 1r33 s GLN 986 Ca 0.50 0.49 0.10 0.00 -1.95 0.00 0.00 55.36 54.51 1r33 s GLN 986 Cb -0.39 -3.85 0.15 0.00 -0.22 0.00 0.00 33.01 28.70 1r33 s GLN 986 CO 0.52 -1.09 1.05 0.00 -0.25 0.00 0.00 175.29 175.51 1r33 n GLY 988 N -0.91 0.66 3.62 0.00 0.00 -1.26 -4.65 105.19 102.65 1r33 n GLY 988 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1r33 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r33 s THR 989 N -2.06 4.94 0.48 2.61 2.01 -1.26 -4.95 115.64 117.43 1r33 s THR 989 Ca 0.00 1.16 0.28 0.00 0.31 0.00 0.00 61.69 63.44 1r33 s THR 989 Cb 0.00 -3.98 0.47 0.00 0.01 0.00 0.00 72.50 69.00 1r33 s THR 989 CO 0.00 -0.03 1.82 -0.65 -0.69 0.00 0.00 174.62 175.07 1r33 h PRO 990 N 7.92 0.15 -2.21 4.92 0.11 -2.05 -3.46 132.00 137.39 1r33 h PRO 990 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1r33 h PRO 990 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1r33 h PRO 990 CO 0.80 0.10 -0.21 0.39 -0.21 0.00 0.00 178.00 178.87 1r33 n GLU 991 N -4.37 -0.11 0.00 1.05 1.02 -1.26 -4.96 120.64 112.01 1r33 n GLU 991 Ca 0.23 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1r33 n GLU 991 Cb 1.02 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 1r33 n GLU 991 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1r33 n GLU 992 N 0.81 0.00 0.00 3.49 -0.58 -1.26 -5.01 120.64 118.09 1r33 n GLU 992 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1r33 n GLU 992 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1r33 n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1r33 n HIS 993 N 0.00 0.00 -4.09 -0.32 1.44 -1.26 -4.99 115.22 106.00 1r33 n HIS 993 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 1r33 n HIS 993 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 1r33 n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1r33 s THR 994 N 0.00 0.32 0.09 0.61 -4.23 -1.26 -5.07 115.64 106.10 1r33 s THR 994 Ca 0.00 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 1r33 s THR 994 Cb 0.00 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1r33 s THR 994 CO 0.00 -0.88 0.19 -1.10 -0.54 0.00 0.00 174.62 172.29 1r33 s GLN 995 N -3.46 3.27 0.27 3.99 -0.21 -1.00 -4.94 119.66 117.57 1r33 s GLN 995 Ca 0.04 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 54.57 1r33 s GLN 995 Cb 0.04 -2.92 -0.10 0.00 1.00 0.00 0.00 33.01 31.03 1r33 s GLN 995 CO -0.07 0.58 1.29 0.15 -2.12 0.00 0.00 175.29 175.11 1r33 s LYS 996 N -2.65 4.40 -0.28 2.91 -0.14 -1.26 -4.15 119.74 118.57 1r33 s LYS 996 Ca 0.33 2.10 -0.09 0.00 -1.36 0.00 0.00 55.97 56.95 1r33 s LYS 996 Cb -0.12 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.87 1r33 s LYS 996 CO 0.26 -0.17 0.12 -1.17 -0.76 0.00 0.00 175.35 173.64 1r33 s LEU 997 N -1.02 3.85 -0.41 3.17 2.96 -1.26 -4.88 118.68 121.08 1r33 s LEU 997 Ca 0.52 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1r33 s LEU 997 Cb -0.38 -1.98 0.11 0.00 0.50 0.00 0.00 46.19 44.44 1r33 s LEU 997 CO 0.45 -0.12 0.20 -0.62 -1.32 0.00 0.00 176.35 174.94 1r33 s ASP 998 N 1.63 5.21 0.56 3.68 3.68 -1.26 -4.63 116.67 125.54 1r33 s ASP 998 Ca 0.05 -2.07 0.28 0.00 2.13 0.00 0.00 52.55 52.95 1r33 s ASP 998 Cb -0.16 -1.81 1.65 0.00 -1.45 0.00 0.00 42.92 41.15 1r33 s ASP 998 CO 0.06 -0.53 2.18 -0.37 0.13 0.00 0.00 175.17 176.64 1r33 h VAL 999 N 6.35 0.57 0.00 1.11 -1.51 -1.96 -2.16 116.25 118.66 1r33 h VAL 999 Ca -0.12 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1r33 h VAL 999 Cb 1.04 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1r33 h VAL 999 CO 0.68 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 177.07 1r33 n HIS 1001N -2.74 1.09 0.10 0.00 8.25 -0.81 -4.49 115.22 116.61 1r33 n HIS 1001Ca 0.01 -0.60 -0.01 0.00 -0.26 0.00 0.00 57.72 56.86 1r33 n HIS 1001Cb 0.25 -0.16 0.25 0.00 1.12 0.00 0.00 29.99 31.45 1r33 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1r33 h LEU 1002N 3.37 0.25 -9.45 2.41 3.38 -1.47 -3.42 115.31 110.37 1r33 h LEU 1002Ca 0.00 -0.09 -0.66 0.00 0.09 0.00 0.00 57.88 57.22 1r33 h LEU 1002Cb 1.20 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 1r33 h LEU 1002CO 0.13 0.60 -0.62 -0.76 0.09 0.00 0.00 178.44 177.88 1r33 s LEU 1003N -8.34 3.63 0.96 1.67 1.43 -1.26 -5.11 118.68 111.65 1r33 s LEU 1003Ca -0.05 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1r33 s LEU 1003Cb 0.14 -2.14 0.16 0.00 0.03 0.00 0.00 46.19 44.38 1r33 s LEU 1003CO 0.77 0.26 1.12 -2.16 0.23 0.00 0.00 176.35 176.56 1r33 s PRO 1004N -1.74 0.78 -1.46 1.29 0.04 -1.26 -4.24 135.00 128.40 1r33 s PRO 1004Ca 0.22 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.56 1r33 s PRO 1004Cb -0.12 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1r33 s PRO 1004CO 0.13 -2.46 0.90 0.09 0.04 0.00 0.00 177.00 175.69 1r33 n ASN 1005N -3.97 -5.88 -4.75 6.66 5.03 -1.26 -4.78 115.26 106.31 1r33 n ASN 1005Ca 0.06 -0.47 -0.41 0.00 0.87 0.00 0.00 54.58 54.62 1r33 n ASN 1005Cb 0.58 -4.69 -0.02 0.00 -1.02 0.00 0.00 39.78 34.63 1r33 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1r33 s VAL 1006N -3.24 2.79 -0.01 2.41 0.11 -1.26 -2.25 120.40 118.96 1r33 s VAL 1006Ca 0.48 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 1r33 s VAL 1006Cb -0.22 -3.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1r33 s VAL 1006CO 0.60 0.12 0.01 0.00 -3.33 0.00 0.00 175.10 172.50 1r33 n ALA 1007N 1.99 2.02 -3.55 1.54 0.00 0.77 -4.89 120.51 118.39 1r33 n ALA 1007Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1r33 n ALA 1007Cb 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1r33 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1r33 s ARG 1008N -1.48 0.96 -0.04 0.00 3.52 -1.18 -4.99 118.95 115.74 1r33 s ARG 1008Ca 0.00 0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.95 1r33 s ARG 1008Cb 0.00 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.87 1r33 s ARG 1008CO 0.01 -0.27 0.02 0.00 -0.81 0.00 0.00 175.30 174.24 1r33 s GLU 1010N 1.53 1.13 0.03 0.00 2.02 -0.33 -0.76 118.70 122.31 1r33 s GLU 1010Ca -0.03 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.07 1r33 s GLU 1010Cb -0.13 -1.13 -0.06 0.00 0.10 0.00 0.00 34.13 32.91 1r33 s GLU 1010CO -0.03 0.30 0.58 0.50 0.02 0.00 0.00 175.26 176.63 1r33 s ARG 1011N -0.81 4.27 0.34 1.61 3.52 -0.09 -0.55 118.95 127.24 1r33 s ARG 1011Ca 0.04 0.73 0.03 0.00 -0.13 0.00 0.00 55.73 56.41 1r33 s ARG 1011Cb -0.07 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1r33 s ARG 1011CO 0.01 0.48 0.11 0.95 -0.81 0.00 0.00 175.30 176.04 1r33 s THR 1012N -0.57 0.72 0.97 4.11 -4.23 -0.20 0.34 115.64 116.78 1r33 s THR 1012Ca 0.30 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 1r33 s THR 1012Cb -0.19 -2.56 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1r33 s THR 1012CO 0.18 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.77 1r33 s THR 1013N -3.40 2.32 -0.27 3.99 -4.23 -0.68 -3.90 115.64 109.46 1r33 s THR 1013Ca 0.32 0.10 0.25 0.00 -1.18 0.00 0.00 61.69 61.18 1r33 s THR 1013Cb 0.06 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.85 1r33 s THR 1013CO 0.15 -0.13 1.76 -0.07 -0.54 0.00 0.00 174.62 175.78 1r33 h LEU 1014N -1.95 0.00 -0.97 4.79 3.38 -1.64 -0.12 115.31 118.80 1r33 h LEU 1014Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1r33 h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1r33 h LEU 1014CO 0.49 0.00 -0.11 0.35 0.09 0.00 0.00 178.44 179.26 1r33 n THR 1015N -2.37 0.00 -0.97 0.22 -2.24 -1.26 -4.93 114.28 102.72 1r33 n THR 1015Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1r33 n THR 1015Cb 0.16 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1r33 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1r33 n PHE 1016N 0.09 0.00 0.61 4.78 0.99 -0.06 -4.90 117.46 118.96 1r33 n PHE 1016Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.73 1r33 n PHE 1016Cb 0.40 -1.13 0.27 0.00 -1.00 0.00 0.00 39.48 38.02 1r33 n PHE 1016CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1r33 n LEU 1017N 0.00 0.74 -3.83 4.37 4.77 -1.26 -4.80 117.00 116.98 1r33 n LEU 1017Ca 0.00 0.37 -0.17 0.00 -0.03 0.00 0.00 56.01 56.18 1r33 n LEU 1017Cb 0.26 -0.24 -0.16 0.00 -2.33 0.00 0.00 43.42 40.95 1r33 n LEU 1017CO 0.00 -0.10 -0.38 -1.58 -1.33 0.00 0.00 177.39 174.00 1r33 s GLN 1018N -3.13 0.32 -0.06 3.23 0.74 -1.26 -5.02 119.66 114.48 1r33 s GLN 1018Ca 0.08 0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.24 1r33 s GLN 1018Cb 0.13 -0.47 -0.02 0.00 1.10 0.00 0.00 33.01 33.75 1r33 s GLN 1018CO 0.67 -0.11 1.01 -0.80 -0.55 0.00 0.00 175.29 175.50 1r33 s ASN 1019N 0.89 7.29 -0.13 6.67 0.01 -1.26 -1.69 114.94 126.72 1r33 s ASN 1019Ca -0.09 1.60 0.13 0.00 -0.71 0.00 0.00 52.86 53.79 1r33 s ASN 1019Cb -0.12 -2.56 -0.18 0.00 0.41 0.00 0.00 41.25 38.79 1r33 s ASN 1019CO -0.01 -0.37 0.08 0.18 -1.51 0.00 0.00 177.10 175.46 1r33 n LEU 1020N 4.52 0.00 -3.69 0.60 4.77 0.15 -4.96 117.00 118.39 1r33 n LEU 1020Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1r33 n LEU 1020Cb 0.50 0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.81 1r33 n LEU 1020CO 0.52 0.33 0.12 -0.70 -1.33 0.00 0.00 177.39 176.33 1r33 s GLU 1021N -2.41 0.48 -0.21 3.23 2.12 -0.98 -4.96 118.70 115.97 1r33 s GLU 1021Ca -0.07 0.80 -0.20 0.00 0.36 0.00 0.00 54.97 55.86 1r33 s GLU 1021Cb 0.05 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 1r33 s GLU 1021CO 0.60 -0.13 0.60 -1.58 -0.54 0.00 0.00 175.26 174.21 1r33 s HIS 1022N 1.07 3.36 -0.14 5.30 5.65 -1.26 -0.91 115.29 128.36 1r33 s HIS 1022Ca -0.07 0.87 -0.17 0.00 0.25 0.00 0.00 55.06 55.94 1r33 s HIS 1022Cb -0.06 -2.77 -0.04 0.00 -1.18 0.00 0.00 32.58 28.52 1r33 s HIS 1022CO -0.09 -0.18 0.42 -0.51 -0.65 0.00 0.00 174.74 173.72 1r33 s LEU 1023N 1.93 4.25 0.28 8.88 1.43 0.06 -4.99 118.68 130.52 1r33 s LEU 1023Ca 0.27 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.77 1r33 s LEU 1023Cb -0.16 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.37 1r33 s LEU 1023CO 0.10 0.02 1.52 -1.81 0.23 0.00 0.00 176.35 176.40 1r33 s ASP 1024N 0.63 6.50 -0.56 2.29 -0.00 -1.26 -1.58 116.67 122.68 1r33 s ASP 1024Ca 0.23 2.83 0.00 0.00 -0.00 0.00 0.00 52.55 55.60 1r33 s ASP 1024Cb -0.14 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.14 1r33 s ASP 1024CO 0.08 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.05 1r33 n GLY 1025N 2.09 0.57 3.30 0.21 0.00 -1.26 -2.02 105.19 108.08 1r33 n GLY 1025Ca 0.07 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1r33 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1r33 n MET 1026N -0.43 -4.80 -4.70 1.61 2.81 -0.61 -4.96 117.12 106.04 1r33 n MET 1026Ca -0.05 0.73 -0.33 0.00 -1.81 0.00 0.00 57.70 56.23 1r33 n MET 1026Cb 0.48 -5.56 -0.14 0.00 -0.71 0.00 0.00 33.22 27.29 1r33 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1r33 s VAL 1027N -3.13 3.27 -0.30 2.03 1.01 -0.86 -4.61 120.40 117.81 1r33 s VAL 1027Ca 0.41 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 1r33 s VAL 1027Cb -0.20 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1r33 s VAL 1027CO 0.50 0.53 0.43 0.00 0.00 0.00 0.00 175.10 176.56 1r33 s ALA 1028N 0.20 3.53 0.37 5.51 0.00 -1.26 -4.65 121.76 125.47 1r33 s ALA 1028Ca -0.07 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1r33 s ALA 1028Cb -0.15 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 1r33 s ALA 1028CO 0.04 -0.90 1.19 -2.14 0.00 0.00 0.00 175.76 173.96 1r33 s PRO 1029N 2.18 4.17 0.86 0.00 0.02 -1.26 -4.56 135.00 136.41 1r33 s PRO 1029Ca 0.16 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 1r33 s PRO 1029Cb -0.16 -2.81 0.11 0.00 0.02 0.00 0.00 34.50 31.66 1r33 s PRO 1029CO 0.11 -0.24 1.09 -1.21 -0.33 0.00 0.00 177.00 176.42 1r33 s GLU 1030N -2.11 1.56 0.45 5.54 2.02 -1.26 -5.02 118.70 119.89 1r33 s GLU 1030Ca 0.54 0.80 0.04 0.00 0.02 0.00 0.00 54.97 56.37 1r33 s GLU 1030Cb -0.33 -1.85 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1r33 s GLU 1030CO 0.42 -2.03 0.64 0.14 0.02 0.00 0.00 175.26 174.46 1r33 s VAL 1031N -2.99 3.34 0.65 2.63 -7.23 -1.26 -5.10 120.40 110.44 1r33 s VAL 1031Ca 0.62 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 1r33 s VAL 1031Cb -0.17 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1r33 s VAL 1031CO 0.56 -0.11 1.05 0.00 -0.31 0.00 0.00 175.10 176.29 1r33 n PRO 1033N -2.85 2.34 -1.02 0.00 -0.02 -1.26 -1.19 135.00 131.01 1r33 n PRO 1033Ca 0.06 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.37 1r33 n PRO 1033Cb 0.55 -2.56 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1r33 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1r33 n MET 1034N 2.33 -0.98 -3.98 -0.52 2.81 0.63 -4.91 117.12 112.50 1r33 n MET 1034Ca 0.11 0.28 -0.24 0.00 -1.81 0.00 0.00 57.70 56.04 1r33 n MET 1034Cb 0.33 -4.03 -0.03 0.00 -0.71 0.00 0.00 33.22 28.78 1r33 n MET 1034CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1r33 s GLU 1035N -1.09 3.33 -0.03 0.03 2.12 -0.33 -4.93 118.70 117.79 1r33 s GLU 1035Ca 0.00 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.62 1r33 s GLU 1035Cb 0.00 -2.87 0.02 0.00 0.26 0.00 0.00 34.13 31.54 1r33 s GLU 1035CO 0.00 0.48 -0.03 0.99 -0.54 0.00 0.00 175.26 176.15 1r33 s THR 1036N -1.85 0.39 0.14 -1.70 2.01 -1.26 -1.67 115.64 111.69 1r33 s THR 1036Ca 0.34 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.27 1r33 s THR 1036Cb -0.10 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1r33 s THR 1036CO 0.28 0.17 -0.06 0.00 -0.69 0.00 0.00 174.62 174.32 1r33 s ALA 1037N 0.62 1.25 0.01 7.40 0.00 -0.29 -4.98 121.76 125.77 1r33 s ALA 1037Ca -0.07 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.48 1r33 s ALA 1037Cb -0.10 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 1r33 s ALA 1037CO -0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 175.76 175.36 1r33 s ALA 1038N -3.54 1.52 0.04 0.00 0.00 -1.25 -0.43 121.76 118.10 1r33 s ALA 1038Ca 0.17 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1r33 s ALA 1038Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1r33 s ALA 1038CO -0.00 0.35 -0.09 0.71 0.00 0.00 0.00 175.76 176.72 1r33 s TYR 1039N -0.62 0.81 -0.09 0.00 1.51 -0.01 -1.03 117.35 117.92 1r33 s TYR 1039Ca 0.06 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1r33 s TYR 1039Cb -0.08 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1r33 s TYR 1039CO 0.00 -0.04 -0.14 0.08 -1.11 0.00 0.00 175.55 174.35 1r33 s VAL 1040N -1.16 1.38 -0.05 0.71 1.01 0.29 -0.35 120.40 122.22 1r33 s VAL 1040Ca -0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1r33 s VAL 1040Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1r33 s VAL 1040CO 0.01 0.41 0.05 -0.94 0.00 0.00 0.00 175.10 174.64 1r33 s SER 1041N 0.85 5.57 -0.06 3.32 1.04 -0.07 -1.19 113.70 123.17 1r33 s SER 1041Ca -0.10 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.54 1r33 s SER 1041Cb -0.15 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1r33 s SER 1041CO 0.01 0.33 -0.13 -0.44 0.98 0.00 0.00 173.24 173.99 1r33 s SER 1042N -1.29 4.10 -0.04 7.02 0.01 -0.24 -0.83 113.70 122.43 1r33 s SER 1042Ca 0.18 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1r33 s SER 1042Cb -0.12 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.15 1r33 s SER 1042CO 0.08 0.33 -0.13 -1.00 0.41 0.00 0.00 173.24 172.93 1r33 s HIS 1043N -0.62 1.34 -2.15 2.43 3.76 0.05 -0.16 115.29 119.94 1r33 s HIS 1043Ca 0.09 -0.39 0.31 0.00 -0.15 0.00 0.00 55.06 54.92 1r33 s HIS 1043Cb -0.11 -0.94 1.66 0.00 1.11 0.00 0.00 32.58 34.30 1r33 s HIS 1043CO 0.01 -0.16 2.09 -1.13 -0.85 0.00 0.00 174.74 174.70