#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwu s GLN 32 N 0.00 2.31 -0.26 0.00 -0.21 -1.26 -4.98 119.66 115.26 1qwu s GLN 32 Ca 0.00 1.64 -0.17 0.00 0.02 0.00 0.00 55.36 56.84 1qwu s GLN 32 Cb 0.00 -1.87 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 1qwu s GLN 32 CO 0.00 -1.68 0.48 0.34 -2.12 0.00 0.00 175.29 172.32 1qwu s ASP 33 N -2.23 6.40 0.00 5.90 3.68 -1.26 -4.85 116.67 124.32 1qwu s ASP 33 Ca 0.72 0.48 0.23 0.00 2.13 0.00 0.00 52.55 56.10 1qwu s ASP 33 Cb -0.26 -2.27 0.50 0.00 -1.45 0.00 0.00 42.92 39.44 1qwu s ASP 33 CO 0.44 -0.25 1.43 1.33 0.13 0.00 0.00 175.17 178.25 1qwu n VAL 34 N 5.10 0.39 -0.07 1.11 0.24 -1.26 -4.41 118.33 119.43 1qwu n VAL 34 Ca -0.05 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.49 1qwu n VAL 34 Cb 0.50 0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 33.68 1qwu n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qwu n VAL 35 N 1.18 1.00 0.54 3.34 0.31 -1.26 -4.85 118.33 118.59 1qwu n VAL 35 Ca 0.18 -0.09 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 1qwu n VAL 35 Cb 0.53 -1.79 0.23 0.00 -0.91 0.00 0.00 33.84 31.90 1qwu n VAL 35 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1qwu h GLN 36 N -0.56 0.00 -4.64 5.55 4.20 -1.90 -3.39 115.11 114.36 1qwu h GLN 36 Ca -0.29 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.72 1qwu h GLN 36 Cb 1.14 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.64 1qwu h GLN 36 CO -0.18 0.00 -0.57 -0.51 -0.67 0.00 0.00 178.83 176.90 1qwu s ASP 37 N -4.47 5.45 -0.28 1.46 1.01 -1.26 -4.88 116.67 113.70 1qwu s ASP 37 Ca 0.07 -1.12 -0.29 0.00 0.71 0.00 0.00 52.55 51.92 1qwu s ASP 37 Cb 0.12 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 42.13 1qwu s ASP 37 CO 0.69 -0.35 1.42 -0.69 0.21 0.00 0.00 175.17 176.44 1qwu s VAL 38 N 1.44 3.97 0.49 -1.27 1.01 -1.26 -4.74 120.40 120.04 1qwu s VAL 38 Ca -0.00 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.84 1qwu s VAL 38 Cb -0.20 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1qwu s VAL 38 CO 0.04 -0.42 1.20 -2.65 0.00 0.00 0.00 175.10 173.27 1qwu n PRO 39 N 7.47 1.61 -3.45 2.72 -0.02 -1.26 -4.96 135.00 137.11 1qwu n PRO 39 Ca 0.16 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 1qwu n PRO 39 Cb 0.46 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1qwu n PRO 39 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwu s ASN 40 N -0.79 6.12 0.10 2.55 2.47 -1.26 -5.06 114.94 119.07 1qwu s ASN 40 Ca 0.67 -0.89 0.05 0.00 0.42 0.00 0.00 52.86 53.10 1qwu s ASN 40 Cb -0.47 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.13 1qwu s ASN 40 CO 0.54 -0.47 -0.12 0.68 -3.72 0.00 0.00 177.10 174.01 1qwu s VAL 41 N 1.72 1.08 0.26 -5.21 -7.23 -1.26 -5.04 120.40 104.72 1qwu s VAL 41 Ca 0.06 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1qwu s VAL 41 Cb -0.19 -1.36 0.11 0.00 0.56 0.00 0.00 36.38 35.50 1qwu s VAL 41 CO 0.10 -0.46 1.75 0.44 -0.31 0.00 0.00 175.10 176.62 1qwu h ASP 42 N 3.67 0.75 -3.23 4.85 3.32 -1.86 -3.42 116.42 120.50 1qwu h ASP 42 Ca -0.39 -0.19 -0.53 0.00 0.02 0.00 0.00 57.03 55.95 1qwu h ASP 42 Cb 1.19 -0.20 -0.36 0.00 0.22 0.00 0.00 39.33 40.18 1qwu h ASP 42 CO 0.50 0.83 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.36 1qwu s VAL 43 N -4.95 1.06 -0.22 -1.35 1.01 -0.51 -4.99 120.40 110.46 1qwu s VAL 43 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1qwu s VAL 43 Cb 0.14 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.52 1qwu s VAL 43 CO 0.81 0.37 -0.14 -1.58 0.00 0.00 0.00 175.10 174.56 1qwu s GLN 44 N 1.46 2.44 0.40 2.72 -0.44 -1.26 -1.86 119.66 123.13 1qwu s GLN 44 Ca 0.01 -1.09 0.14 0.00 -2.50 0.00 0.00 55.36 51.91 1qwu s GLN 44 Cb -0.13 -2.70 0.98 0.00 -1.64 0.00 0.00 33.01 29.51 1qwu s GLN 44 CO -0.06 -0.43 1.89 0.52 0.50 0.00 0.00 175.29 177.71 1qwu h MET 45 N 7.86 0.50 -0.50 1.67 2.86 -1.63 0.37 114.93 126.05 1qwu h MET 45 Ca -0.29 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1qwu h MET 45 Cb 1.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1qwu h MET 45 CO 0.52 0.33 -0.16 1.25 1.06 0.00 0.00 176.91 179.91 1qwu h LEU 46 N 0.51 1.00 -0.34 1.22 5.85 -1.93 -0.73 115.31 120.89 1qwu h LEU 46 Ca 0.41 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1qwu h LEU 46 Cb 0.85 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1qwu h LEU 46 CO -0.16 1.14 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.99 1qwu h GLU 47 N 0.86 0.61 -0.54 1.25 4.22 -1.55 -1.81 114.58 117.62 1qwu h GLU 47 Ca 0.12 -0.20 0.01 0.00 0.08 0.00 0.00 59.36 59.37 1qwu h GLU 47 Cb 0.73 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1qwu h GLU 47 CO 0.06 0.74 0.36 1.25 -2.18 0.00 0.00 179.01 179.23 1qwu h LEU 48 N 0.42 0.61 -1.20 1.64 5.85 -0.86 -2.14 115.31 119.62 1qwu h LEU 48 Ca 0.10 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1qwu h LEU 48 Cb 0.47 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1qwu h LEU 48 CO 0.02 0.44 0.55 1.88 -0.34 0.00 0.00 178.44 180.99 1qwu h TYR 49 N 0.73 1.01 -0.74 1.25 -1.99 -0.86 -0.19 116.97 116.17 1qwu h TYR 49 Ca 0.20 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 1qwu h TYR 49 Cb -0.08 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.28 1qwu h TYR 49 CO -0.04 0.60 0.34 0.22 -0.00 0.00 0.00 178.16 179.29 1qwu h ASP 50 N 1.06 0.98 0.66 3.88 -0.00 -0.69 -3.23 116.42 119.07 1qwu h ASP 50 Ca 0.32 -0.14 -0.27 0.00 -0.00 0.00 0.00 57.03 56.94 1qwu h ASP 50 Cb -0.03 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.02 1qwu h ASP 50 CO -0.09 0.85 -1.38 0.03 -0.00 0.00 0.00 179.24 178.65 1qwu h ARG 51 N 1.04 0.09 -7.00 0.28 3.08 -0.97 -3.47 114.38 107.43 1qwu h ARG 51 Ca 0.25 -0.16 -0.54 0.00 0.07 0.00 0.00 59.98 59.60 1qwu h ARG 51 Cb 0.14 0.06 0.12 0.00 0.08 0.00 0.00 29.97 30.37 1qwu h ARG 51 CO -0.03 0.91 0.65 -1.64 -1.07 0.00 0.00 179.97 178.80 1qwu s MET 52 N -2.65 3.55 0.08 0.04 -1.94 -0.15 -4.96 119.30 113.27 1qwu s MET 52 Ca -0.04 2.30 0.18 0.00 -1.71 0.00 0.00 55.69 56.42 1qwu s MET 52 Cb 0.08 -2.53 -0.12 0.00 2.01 0.00 0.00 34.83 34.28 1qwu s MET 52 CO 0.83 -0.88 0.84 0.43 -0.01 0.00 0.00 175.02 176.23 1qwu n SER 53 N -0.43 0.83 -2.07 3.03 7.64 -1.26 -4.97 113.62 116.38 1qwu n SER 53 Ca 0.07 0.36 -0.19 0.00 1.01 0.00 0.00 58.87 60.11 1qwu n SER 53 Cb 0.43 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.86 1qwu n SER 53 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qwu n PHE 54 N -2.84 -0.74 -2.34 1.43 3.01 -1.26 -4.94 117.46 109.78 1qwu n PHE 54 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.96 1qwu n PHE 54 Cb 0.79 -3.68 -0.03 0.00 -0.01 0.00 0.00 39.48 36.55 1qwu n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1qwu s LYS 55 N -4.71 4.43 -1.15 -1.08 -0.14 -1.26 -4.95 119.74 110.89 1qwu s LYS 55 Ca 0.00 1.89 -0.08 0.00 -1.36 0.00 0.00 55.97 56.42 1qwu s LYS 55 Cb 0.00 -3.27 0.26 0.00 -1.68 0.00 0.00 37.83 33.13 1qwu s LYS 55 CO 0.00 -0.22 1.44 -3.47 -0.76 0.00 0.00 175.35 172.34 1qwu n ASP 56 N 3.23 5.76 -4.93 2.83 2.03 -1.26 -5.02 116.55 119.20 1qwu n ASP 56 Ca 0.07 -3.19 -0.28 0.00 0.52 0.00 0.00 54.79 51.92 1qwu n ASP 56 Cb 0.45 -1.38 -0.03 0.00 -0.72 0.00 0.00 41.12 39.43 1qwu n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1qwu s ILE 57 N -1.18 5.25 -0.32 5.18 -5.25 -1.26 -5.03 121.20 118.59 1qwu s ILE 57 Ca 0.34 -0.43 -0.29 0.00 -0.99 0.00 0.00 60.65 59.28 1qwu s ILE 57 Cb 0.00 -3.72 -0.01 0.00 2.95 0.00 0.00 42.46 41.68 1qwu s ILE 57 CO 0.02 -0.10 1.57 -0.62 -1.79 0.00 0.00 174.94 174.01 1qwu s ASP 58 N -3.07 6.25 -0.04 4.36 3.68 -1.26 -4.63 116.67 121.96 1qwu s ASP 58 Ca 0.37 1.23 0.15 0.00 2.13 0.00 0.00 52.55 56.43 1qwu s ASP 58 Cb -0.11 -2.53 0.51 0.00 -1.45 0.00 0.00 42.92 39.33 1qwu s ASP 58 CO 0.28 -1.43 1.40 0.61 0.13 0.00 0.00 175.17 176.17 1qwu n GLY 59 N 4.99 1.76 0.19 2.66 0.00 -0.09 -5.03 105.19 109.67 1qwu n GLY 59 Ca 0.19 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1qwu n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwu n GLY 60 N 1.17 0.66 0.36 -0.02 0.00 -1.26 -3.75 105.19 102.35 1qwu n GLY 60 Ca 0.19 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.55 1qwu n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qwu h VAL 61 N 0.00 1.10 -2.28 1.61 -1.51 -1.94 -2.43 116.25 110.80 1qwu h VAL 61 Ca 0.00 -0.33 -0.70 0.00 -1.23 0.00 0.00 66.70 64.44 1qwu h VAL 61 Cb 0.00 0.05 -0.17 0.00 -2.13 0.00 0.00 31.29 29.04 1qwu h VAL 61 CO 0.00 0.18 0.99 0.86 -1.23 0.00 0.00 177.57 178.36 1qwu s TRP 62 N -5.83 3.17 0.38 5.19 -0.00 -1.23 -4.56 118.94 116.06 1qwu s TRP 62 Ca -0.11 -1.53 0.18 0.00 -0.00 0.00 0.00 56.10 54.64 1qwu s TRP 62 Cb 0.19 -4.31 1.10 0.00 -0.00 0.00 0.00 33.47 30.45 1qwu s TRP 62 CO 0.79 -1.49 1.72 0.87 -0.00 0.00 0.00 176.95 178.84 1qwu h LYS 63 N 8.51 0.37 -0.44 5.86 1.79 -1.71 -1.51 116.57 129.44 1qwu h LYS 63 Ca 0.20 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1qwu h LYS 63 Cb 0.99 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1qwu h LYS 63 CO 1.15 0.24 0.00 1.04 -1.08 0.00 0.00 179.45 180.80 1qwu n GLN 64 N -4.75 3.05 0.00 3.15 6.02 -1.26 -0.92 117.38 122.66 1qwu n GLN 64 Ca 0.28 -2.45 0.00 0.00 -0.01 0.00 0.00 57.00 54.83 1qwu n GLN 64 Cb 0.95 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1qwu n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qwu n GLY 65 N 0.57 2.27 3.84 1.08 0.00 -0.57 -4.67 105.19 107.71 1qwu n GLY 65 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1qwu n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1qwu s TRP 66 N 3.05 -0.11 -0.49 1.61 -2.14 -1.25 -4.23 118.94 115.37 1qwu s TRP 66 Ca 0.00 -0.38 -0.28 0.00 2.66 0.00 0.00 56.10 58.10 1qwu s TRP 66 Cb 0.00 0.70 0.02 0.00 -3.10 0.00 0.00 33.47 31.09 1qwu s TRP 66 CO 0.00 -1.28 1.35 -0.80 -2.66 0.00 0.00 176.95 173.56 1qwu s ASN 67 N -2.95 6.32 0.20 -2.66 0.01 -1.25 -4.71 114.94 109.90 1qwu s ASN 67 Ca 0.12 0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 52.49 1qwu s ASN 67 Cb -0.06 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 38.98 1qwu s ASN 67 CO 0.08 -1.51 1.21 -0.63 -1.51 0.00 0.00 177.10 174.75 1qwu s ILE 68 N 5.46 3.47 0.11 0.60 1.01 -1.26 -5.03 121.20 125.57 1qwu s ILE 68 Ca 0.54 1.26 0.09 0.00 0.00 0.00 0.00 60.65 62.55 1qwu s ILE 68 Cb -0.11 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1qwu s ILE 68 CO 0.29 0.21 -0.24 -0.54 0.00 0.00 0.00 174.94 174.67 1qwu s LYS 69 N -0.36 1.25 0.05 2.79 1.02 -1.26 -4.98 119.74 118.26 1qwu s LYS 69 Ca 0.53 -1.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.26 1qwu s LYS 69 Cb -0.33 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1qwu s LYS 69 CO 0.38 0.38 -0.02 1.52 -0.92 0.00 0.00 175.35 176.69 1qwu s TYR 70 N -1.11 0.49 -0.40 3.18 -0.85 -1.26 -4.99 117.35 112.42 1qwu s TYR 70 Ca 0.10 -1.03 -0.19 0.00 -0.52 0.00 0.00 57.07 55.42 1qwu s TYR 70 Cb -0.10 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 41.88 1qwu s TYR 70 CO 0.05 -0.39 0.55 0.34 -1.52 0.00 0.00 175.55 174.58 1qwu s ASP 71 N -2.90 6.30 0.61 -0.18 2.15 -1.26 -4.94 116.67 116.45 1qwu s ASP 71 Ca 0.07 -0.28 0.29 0.00 0.43 0.00 0.00 52.55 53.06 1qwu s ASP 71 Cb 0.08 -2.28 1.57 0.00 -0.30 0.00 0.00 42.92 41.99 1qwu s ASP 71 CO -0.10 -0.62 1.95 1.55 -0.17 0.00 0.00 175.17 177.79 1qwu h PRO 72 N 8.68 0.00 -0.00 4.34 0.13 -1.99 0.15 132.00 143.30 1qwu h PRO 72 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1qwu h PRO 72 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qwu h PRO 72 CO 0.83 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.87 1qwu n LEU 73 N -3.50 0.02 -0.25 1.56 4.77 -1.26 -3.69 117.00 114.66 1qwu n LEU 73 Ca 0.04 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1qwu n LEU 73 Cb 0.50 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.74 1qwu n LEU 73 CO 0.24 0.00 1.22 0.50 -1.33 0.00 0.00 177.39 178.02 1qwu h LYS 74 N 0.04 1.06 -6.01 3.23 3.64 -1.12 -3.41 116.57 114.00 1qwu h LYS 74 Ca 0.00 -0.08 -0.66 0.00 -1.27 0.00 0.00 60.65 58.63 1qwu h LYS 74 Cb 0.07 -0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 31.54 1qwu h LYS 74 CO 0.00 0.73 -0.60 0.71 -2.27 0.00 0.00 179.45 178.02 1qwu s TYR 75 N -5.84 3.22 0.38 1.91 1.51 -1.24 -4.93 117.35 112.36 1qwu s TYR 75 Ca -0.11 0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 56.05 1qwu s TYR 75 Cb 0.18 -1.75 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1qwu s TYR 75 CO 0.79 0.52 0.67 0.27 -1.11 0.00 0.00 175.55 176.69 1qwu n ASN 76 N 1.52 -1.91 0.03 2.29 0.23 -0.09 -4.91 115.26 112.42 1qwu n ASN 76 Ca -0.15 -2.74 0.21 0.00 -0.53 0.00 0.00 54.58 51.37 1qwu n ASN 76 Cb 0.53 3.31 0.73 0.00 -2.08 0.00 0.00 39.78 42.27 1qwu n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qwu h ALA 77 N 2.02 2.31 -0.04 -2.53 0.00 -1.94 0.12 119.26 119.21 1qwu h ALA 77 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1qwu h ALA 77 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1qwu h ALA 77 CO 0.41 -0.71 0.00 0.72 0.00 0.00 0.00 179.25 179.67 1qwu n HIS 78 N -3.96 0.02 -3.23 0.00 8.25 -1.26 -4.64 115.22 110.40 1qwu n HIS 78 Ca 0.09 -0.01 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 1qwu n HIS 78 Cb 0.66 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 1qwu n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1qwu s HIS 79 N -1.98 -1.00 0.29 4.41 5.04 0.42 -5.15 115.29 117.31 1qwu s HIS 79 Ca 0.31 -0.41 0.02 0.00 -1.54 0.00 0.00 55.06 53.43 1qwu s HIS 79 Cb 0.20 -0.04 -0.03 0.00 0.04 0.00 0.00 32.58 32.75 1qwu s HIS 79 CO 0.31 -1.09 0.46 0.15 -2.34 0.00 0.00 174.74 172.23 1qwu s LYS 80 N 1.47 3.48 -0.31 2.88 1.02 -1.18 -0.91 119.74 126.18 1qwu s LYS 80 Ca 0.19 -0.48 -0.21 0.00 0.02 0.00 0.00 55.97 55.49 1qwu s LYS 80 Cb -0.08 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1qwu s LYS 80 CO -0.05 0.28 0.66 -1.17 -0.92 0.00 0.00 175.35 174.15 1qwu s LEU 81 N -4.04 4.15 -0.28 3.17 2.96 -0.46 -4.86 118.68 119.31 1qwu s LEU 81 Ca 0.38 0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 54.53 1qwu s LEU 81 Cb -0.10 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 1qwu s LEU 81 CO 0.33 -0.52 0.54 -0.75 -1.32 0.00 0.00 176.35 174.62 1qwu s LYS 82 N 2.68 3.97 -0.16 1.98 2.36 0.38 -0.92 119.74 130.04 1qwu s LYS 82 Ca 0.26 0.24 -0.01 0.00 -2.55 0.00 0.00 55.97 53.91 1qwu s LYS 82 Cb -0.15 -3.69 -0.01 0.00 -1.05 0.00 0.00 37.83 32.93 1qwu s LYS 82 CO 0.12 -0.44 -0.10 0.08 1.55 0.00 0.00 175.35 176.56 1qwu s VAL 83 N 2.38 3.19 -0.28 4.02 1.01 0.24 -0.23 120.40 130.72 1qwu s VAL 83 Ca 0.22 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1qwu s VAL 83 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1qwu s VAL 83 CO 0.10 0.50 0.01 -0.36 0.00 0.00 0.00 175.10 175.36 1qwu s PHE 84 N 0.65 3.12 -0.32 5.22 0.40 -0.17 -1.75 117.98 125.13 1qwu s PHE 84 Ca -0.06 -1.30 -0.17 0.00 -0.60 0.00 0.00 56.93 54.81 1qwu s PHE 84 Cb -0.15 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1qwu s PHE 84 CO 0.03 -0.66 0.47 0.08 0.70 0.00 0.00 175.22 175.83 1qwu s VAL 85 N 1.41 5.08 -0.42 -0.44 1.01 -0.35 -0.68 120.40 125.99 1qwu s VAL 85 Ca 0.01 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1qwu s VAL 85 Cb -0.17 -3.87 0.10 0.00 0.00 0.00 0.00 36.38 32.44 1qwu s VAL 85 CO -0.01 -0.07 0.25 -0.69 0.00 0.00 0.00 175.10 174.58 1qwu s VAL 86 N 2.26 3.77 0.36 2.92 1.01 0.46 -1.14 120.40 130.05 1qwu s VAL 86 Ca 0.17 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.10 1qwu s VAL 86 Cb -0.16 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 1qwu s VAL 86 CO 0.12 -0.64 1.38 -2.84 0.00 0.00 0.00 175.10 173.12 1qwu s PRO 87 N 1.28 4.19 0.20 2.72 0.02 -1.26 -0.66 135.00 141.50 1qwu s PRO 87 Ca 0.05 2.36 -0.20 0.00 0.02 0.00 0.00 61.00 63.24 1qwu s PRO 87 Cb -0.24 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.34 1qwu s PRO 87 CO -0.01 -0.38 0.59 -3.38 -0.33 0.00 0.00 177.00 173.48 1qwu s HIS 88 N -1.15 -0.27 -0.11 6.54 -3.43 -0.72 -2.02 115.29 114.13 1qwu s HIS 88 Ca 0.52 -0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.68 1qwu s HIS 88 Cb -0.42 0.51 0.06 0.00 -1.43 0.00 0.00 32.58 31.29 1qwu s HIS 88 CO 0.57 -0.96 0.15 0.45 -2.00 0.00 0.00 174.74 172.95 1qwu s SER 89 N -2.84 1.12 -0.46 7.38 0.15 -1.26 -3.86 113.70 113.93 1qwu s SER 89 Ca 0.07 0.08 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 1qwu s SER 89 Cb -0.02 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1qwu s SER 89 CO -0.04 -0.27 0.98 -2.28 1.20 0.00 0.00 173.24 172.82 1qwu s HIS 90 N 2.27 2.91 -0.18 3.44 2.46 -0.49 -4.76 115.29 120.94 1qwu s HIS 90 Ca 0.04 0.50 -0.03 0.00 0.47 0.00 0.00 55.06 56.04 1qwu s HIS 90 Cb -0.13 -4.05 -0.02 0.00 -0.13 0.00 0.00 32.58 28.25 1qwu s HIS 90 CO -0.07 -1.12 -0.05 -0.80 -2.47 0.00 0.00 174.74 170.24 1qwu s ASN 91 N 2.27 4.52 -0.27 9.88 0.01 -1.26 -0.14 114.94 129.96 1qwu s ASN 91 Ca 0.40 -0.25 -0.14 0.00 -0.71 0.00 0.00 52.86 52.16 1qwu s ASN 91 Cb -0.10 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 1qwu s ASN 91 CO 0.27 0.10 0.32 -1.81 -1.51 0.00 0.00 177.10 174.46 1qwu s ASP 92 N 0.79 6.19 -1.07 -1.22 1.01 -1.26 -4.90 116.67 116.21 1qwu s ASP 92 Ca -0.02 0.21 -0.13 0.00 0.71 0.00 0.00 52.55 53.32 1qwu s ASP 92 Cb -0.15 -2.18 -0.08 0.00 1.01 0.00 0.00 42.92 41.52 1qwu s ASP 92 CO 0.02 -0.14 2.19 -2.65 0.21 0.00 0.00 175.17 174.80 1qwu n PRO 93 N 5.22 2.27 0.00 8.23 -0.02 -1.26 -4.53 135.00 144.91 1qwu n PRO 93 Ca -0.10 -1.91 0.00 0.00 -2.02 0.00 0.00 63.50 59.47 1qwu n PRO 93 Cb 0.51 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1qwu n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qwu n GLY 94 N 4.06 1.74 0.00 -1.23 0.00 -1.26 -4.52 105.19 103.98 1qwu n GLY 94 Ca 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1qwu n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1qwu n TRP 95 N 2.10 0.00 0.02 1.61 -0.00 -1.26 -4.73 117.44 115.18 1qwu n TRP 95 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 1qwu n TRP 95 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.21 1qwu n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1qwu h ILE 96 N 0.00 0.78 -2.38 5.87 1.08 -1.94 0.23 117.51 121.16 1qwu h ILE 96 Ca 0.00 -2.42 -0.54 0.00 -0.39 0.00 0.00 64.86 61.51 1qwu h ILE 96 Cb 0.00 2.29 -0.14 0.00 -3.07 0.00 0.00 36.82 35.91 1qwu h ILE 96 CO 0.00 0.45 -0.66 -1.10 -0.69 0.00 0.00 178.15 176.15 1qwu s GLN 97 N -2.78 1.68 0.79 2.37 -0.21 -1.26 -4.80 119.66 115.45 1qwu s GLN 97 Ca -0.03 -1.88 -0.12 0.00 0.02 0.00 0.00 55.36 53.35 1qwu s GLN 97 Cb 0.08 -1.31 0.07 0.00 1.00 0.00 0.00 33.01 32.86 1qwu s GLN 97 CO 0.81 0.02 1.12 0.95 -2.12 0.00 0.00 175.29 176.07 1qwu s THR 98 N -2.92 2.75 0.18 -0.19 -4.23 -1.26 -4.20 115.64 105.77 1qwu s THR 98 Ca 0.32 0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.86 1qwu s THR 98 Cb 0.05 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.87 1qwu s THR 98 CO 0.14 -0.32 1.59 0.15 -0.54 0.00 0.00 174.62 175.65 1qwu h PHE 99 N -1.03 -0.92 -0.45 3.99 3.57 -1.88 -0.10 116.94 120.11 1qwu h PHE 99 Ca -0.47 0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 1qwu h PHE 99 Cb 1.29 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 40.49 1qwu h PHE 99 CO 0.41 -0.38 -0.02 1.49 -2.23 0.00 0.00 178.31 177.58 1qwu h GLU 100 N -0.19 0.76 -0.15 1.11 4.57 -1.96 0.17 114.58 118.88 1qwu h GLU 100 Ca 0.21 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1qwu h GLU 100 Cb 0.54 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1qwu h GLU 100 CO -0.63 0.78 0.05 0.93 -1.18 0.00 0.00 179.01 178.96 1qwu h GLU 101 N 0.71 0.23 -0.68 1.92 5.08 -1.76 -1.05 114.58 119.04 1qwu h GLU 101 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1qwu h GLU 101 Cb 0.46 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1qwu h GLU 101 CO 0.02 0.36 0.43 1.88 -1.00 0.00 0.00 179.01 180.70 1qwu h TYR 102 N 0.06 0.87 -0.54 4.33 0.05 -0.86 0.21 116.97 121.10 1qwu h TYR 102 Ca 0.05 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.86 1qwu h TYR 102 Cb 0.22 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1qwu h TYR 102 CO -0.00 0.57 0.34 -0.92 -1.05 0.00 0.00 178.16 177.10 1qwu h TYR 103 N 0.92 0.65 -0.20 4.88 3.20 -0.70 0.16 116.97 125.88 1qwu h TYR 103 Ca 0.25 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.95 1qwu h TYR 103 Cb -0.07 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 37.99 1qwu h TYR 103 CO -0.02 0.39 -0.64 1.96 -1.64 0.00 0.00 178.16 178.21 1qwu h GLN 104 N 0.69 0.70 0.00 1.82 1.08 -0.84 -0.83 115.11 117.73 1qwu h GLN 104 Ca 0.21 -0.49 -0.22 0.00 -1.45 0.00 0.00 58.65 56.70 1qwu h GLN 104 Cb -0.02 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1qwu h GLN 104 CO -0.07 1.11 -1.21 0.45 -0.95 0.00 0.00 178.83 178.16 1qwu h HIS 105 N 0.52 0.00 0.00 2.96 3.86 -0.37 -3.45 115.15 118.67 1qwu h HIS 105 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1qwu h HIS 105 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1qwu h HIS 105 CO 0.06 0.90 -0.03 -0.25 0.86 0.00 0.00 177.93 179.47 1qwu n ASP 106 N -3.19 0.15 -0.22 2.45 8.00 0.46 -4.89 116.55 119.30 1qwu n ASP 106 Ca -0.06 0.36 -0.02 0.00 0.71 0.00 0.00 54.79 55.78 1qwu n ASP 106 Cb 0.94 0.20 0.09 0.00 -0.02 0.00 0.00 41.12 42.33 1qwu n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1qwu h THR 107 N 0.00 0.96 -0.02 -3.53 2.02 -1.37 0.60 112.91 111.57 1qwu h THR 107 Ca 0.00 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1qwu h THR 107 Cb 0.03 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1qwu h THR 107 CO 0.00 0.12 -0.14 0.07 0.37 0.00 0.00 175.52 175.94 1qwu h LYS 108 N 0.65 0.02 -0.09 6.66 2.10 -1.37 0.10 116.57 124.64 1qwu h LYS 108 Ca 0.29 -0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.71 1qwu h LYS 108 Cb 0.19 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1qwu h LYS 108 CO -0.19 0.16 -0.85 0.45 -2.00 0.00 0.00 179.45 177.03 1qwu h HIS 109 N 0.02 0.92 -0.23 0.07 3.86 -1.43 -0.52 115.15 117.85 1qwu h HIS 109 Ca 0.00 -0.44 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1qwu h HIS 109 Cb 0.26 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1qwu h HIS 109 CO 0.00 1.26 0.13 0.82 0.86 0.00 0.00 177.93 180.99 1qwu h ILE 110 N 0.43 1.11 -0.31 2.45 2.04 -0.28 -0.68 117.51 122.26 1qwu h ILE 110 Ca -0.07 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 1qwu h ILE 110 Cb 1.48 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1qwu h ILE 110 CO 0.16 0.11 -0.42 -0.07 0.00 0.00 0.00 178.15 177.93 1qwu h LEU 111 N 0.26 0.84 -0.34 1.44 3.38 -0.97 -0.09 115.31 119.82 1qwu h LEU 111 Ca 0.08 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1qwu h LEU 111 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1qwu h LEU 111 CO -0.01 1.14 0.14 -1.28 0.09 0.00 0.00 178.44 178.52 1qwu h SER 112 N 0.63 0.47 0.53 -0.43 0.87 -0.98 -1.15 113.55 113.49 1qwu h SER 112 Ca 0.05 -0.16 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 1qwu h SER 112 Cb 0.98 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1qwu h SER 112 CO 0.09 0.50 -0.50 0.78 -0.53 0.00 0.00 176.83 177.17 1qwu h ASN 113 N 0.41 0.00 -0.54 6.23 2.35 -1.08 -2.11 115.58 120.84 1qwu h ASN 113 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1qwu h ASN 113 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1qwu h ASN 113 CO -0.01 0.50 0.12 0.00 -1.65 0.00 0.00 177.43 176.39 1qwu h ALA 114 N 1.50 0.71 -0.12 -0.83 0.00 -0.70 0.12 119.26 119.94 1qwu h ALA 114 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qwu h ALA 114 Cb 0.90 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1qwu h ALA 114 CO 0.07 0.43 0.07 1.25 0.00 0.00 0.00 179.25 181.06 1qwu h LEU 115 N 0.77 0.15 0.37 0.00 5.85 -0.93 -0.70 115.31 120.81 1qwu h LEU 115 Ca 0.17 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1qwu h LEU 115 Cb 0.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1qwu h LEU 115 CO 0.01 0.18 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.02 1qwu h ARG 116 N 0.10 -0.48 -0.91 1.25 2.43 -1.24 -1.34 114.38 114.18 1qwu h ARG 116 Ca 0.04 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1qwu h ARG 116 Cb 0.07 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1qwu h ARG 116 CO -0.01 -0.26 0.51 0.45 -1.51 0.00 0.00 179.97 179.15 1qwu h HIS 117 N -0.60 1.25 -0.15 2.20 3.86 -0.72 -1.37 115.15 119.61 1qwu h HIS 117 Ca -0.05 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 58.95 1qwu h HIS 117 Cb 0.44 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1qwu h HIS 117 CO -0.03 0.85 -0.66 -0.07 0.86 0.00 0.00 177.93 178.89 1qwu h LEU 118 N 1.28 0.67 -0.53 2.43 3.38 -1.14 -1.58 115.31 119.81 1qwu h LEU 118 Ca 0.32 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1qwu h LEU 118 Cb 0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1qwu h LEU 118 CO -0.05 1.15 0.32 -0.74 0.09 0.00 0.00 178.44 179.20 1qwu h HIS 119 N 0.42 0.60 0.00 1.13 2.76 -0.94 -3.05 115.15 116.08 1qwu h HIS 119 Ca -0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1qwu h HIS 119 Cb 1.23 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1qwu h HIS 119 CO 0.06 0.35 -0.10 -0.44 -1.30 0.00 0.00 177.93 176.50 1qwu h ASP 120 N 0.64 0.00 -3.36 3.26 3.32 -1.16 -3.40 116.42 115.73 1qwu h ASP 120 Ca 0.21 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.62 1qwu h ASP 120 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 1qwu h ASP 120 CO -0.08 0.02 -0.73 0.20 -1.72 0.00 0.00 179.24 176.92 1qwu s ASN 121 N -4.62 3.61 0.47 6.45 0.01 -0.60 -5.01 114.94 115.26 1qwu s ASN 121 Ca 0.10 -2.89 0.31 0.00 -0.71 0.00 0.00 52.86 49.66 1qwu s ASN 121 Cb 0.12 -1.10 1.40 0.00 0.41 0.00 0.00 41.25 42.08 1qwu s ASN 121 CO 0.62 -0.22 1.72 -0.65 -1.51 0.00 0.00 177.10 177.06 1qwu h PRO 122 N 6.38 0.14 0.00 -0.60 0.11 -1.78 -1.35 132.00 134.90 1qwu h PRO 122 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1qwu h PRO 122 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1qwu h PRO 122 CO 0.52 0.09 -0.46 0.39 -0.21 0.00 0.00 178.00 178.33 1qwu n GLU 123 N -4.43 0.22 -2.29 1.05 -0.58 -1.26 -4.88 120.64 108.47 1qwu n GLU 123 Ca 0.31 0.09 -0.36 0.00 -0.42 0.00 0.00 57.16 56.77 1qwu n GLU 123 Cb 1.27 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 30.46 1qwu n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1qwu s MET 124 N -3.12 3.71 0.22 3.49 1.75 -0.51 -4.69 119.30 120.16 1qwu s MET 124 Ca 0.08 1.71 0.04 0.00 -1.25 0.00 0.00 55.69 56.27 1qwu s MET 124 Cb 0.14 -2.33 -0.05 0.00 2.84 0.00 0.00 34.83 35.43 1qwu s MET 124 CO 0.68 -0.57 -0.04 0.15 -0.65 0.00 0.00 175.02 174.60 1qwu s LYS 125 N -2.82 1.32 -0.25 4.11 -0.14 -1.26 -4.79 119.74 115.91 1qwu s LYS 125 Ca 0.65 -1.65 -0.26 0.00 -1.36 0.00 0.00 55.97 53.36 1qwu s LYS 125 Cb -0.27 -0.72 0.10 0.00 -1.68 0.00 0.00 37.83 35.26 1qwu s LYS 125 CO 0.32 -0.03 0.88 0.12 -0.76 0.00 0.00 175.35 175.88 1qwu s PHE 126 N -3.32 -0.61 0.09 3.18 5.36 -0.46 -4.38 117.98 117.84 1qwu s PHE 126 Ca 0.26 1.44 0.08 0.00 -0.96 0.00 0.00 56.93 57.75 1qwu s PHE 126 Cb 0.04 0.33 -0.04 0.00 -0.34 0.00 0.00 43.02 43.02 1qwu s PHE 126 CO 0.08 -0.32 -0.14 0.96 -1.46 0.00 0.00 175.22 174.33 1qwu s ILE 127 N 0.12 3.10 -0.03 3.12 -4.36 -0.86 -1.13 121.20 121.15 1qwu s ILE 127 Ca 0.01 -1.32 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 1qwu s ILE 127 Cb -0.04 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.27 1qwu s ILE 127 CO -0.02 0.16 -0.06 0.86 0.24 0.00 0.00 174.94 176.12 1qwu s TRP 128 N -1.13 0.75 -0.22 1.37 -0.11 0.20 -4.43 118.94 115.38 1qwu s TRP 128 Ca 0.19 -0.20 -0.00 0.00 1.22 0.00 0.00 56.10 57.31 1qwu s TRP 128 Cb -0.11 -0.62 -0.14 0.00 -1.50 0.00 0.00 33.47 31.11 1qwu s TRP 128 CO 0.11 -0.15 -0.21 0.00 -4.62 0.00 0.00 176.95 172.09 1qwu n ALA 129 N 3.73 1.53 -2.91 5.86 0.00 -1.26 -1.14 120.51 126.32 1qwu n ALA 129 Ca -0.22 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 51.86 1qwu n ALA 129 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 1qwu n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qwu s GLU 130 N -2.43 3.10 0.50 0.00 8.01 -1.26 -3.88 118.70 122.73 1qwu s GLU 130 Ca -0.30 -0.93 0.27 0.00 0.01 0.00 0.00 54.97 54.02 1qwu s GLU 130 Cb 0.08 -4.23 1.27 0.00 -4.31 0.00 0.00 34.13 26.94 1qwu s GLU 130 CO 0.49 -1.74 1.98 0.82 0.01 0.00 0.00 175.26 176.82 1qwu h ILE 131 N 5.96 0.52 -0.64 -1.63 1.08 -1.32 -2.46 117.51 119.02 1qwu h ILE 131 Ca -0.29 -0.74 0.06 0.00 -0.39 0.00 0.00 64.86 63.50 1qwu h ILE 131 Cb 1.07 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 36.27 1qwu h ILE 131 CO 1.16 0.15 0.34 0.77 -0.69 0.00 0.00 178.15 179.88 1qwu h SER 132 N 0.00 0.50 -0.14 1.72 4.64 -1.41 0.23 113.55 119.09 1qwu h SER 132 Ca -0.00 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 1qwu h SER 132 Cb 0.49 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1qwu h SER 132 CO 0.02 0.32 -0.54 1.88 -0.87 0.00 0.00 176.83 177.64 1qwu h TYR 133 N 0.63 0.81 -0.57 4.77 0.99 -1.74 -2.89 116.97 118.97 1qwu h TYR 133 Ca 0.29 -0.34 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 1qwu h TYR 133 Cb 0.20 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.78 1qwu h TYR 133 CO -0.09 1.13 0.22 0.35 -0.00 0.00 0.00 178.16 179.77 1qwu h PHE 134 N 0.25 0.88 -0.75 4.88 3.57 -0.95 -1.17 116.94 123.65 1qwu h PHE 134 Ca -0.03 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1qwu h PHE 134 Cb 1.17 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1qwu h PHE 134 CO 0.10 0.72 0.38 0.00 -2.23 0.00 0.00 178.31 177.28 1qwu h ALA 135 N 1.07 0.97 -0.44 2.41 0.00 -0.63 0.13 119.26 122.76 1qwu h ALA 135 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qwu h ALA 135 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1qwu h ALA 135 CO -0.01 0.52 0.28 -0.09 0.00 0.00 0.00 179.25 179.94 1qwu h ARG 136 N 1.05 0.59 0.40 0.00 9.65 -1.26 -2.19 114.38 122.63 1qwu h ARG 136 Ca 0.26 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1qwu h ARG 136 Cb 0.09 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1qwu h ARG 136 CO -0.04 0.42 -0.19 0.35 2.80 0.00 0.00 179.97 183.31 1qwu h PHE 137 N 0.59 -0.50 -0.71 2.20 3.57 -0.87 -3.19 116.94 118.04 1qwu h PHE 137 Ca 0.16 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1qwu h PHE 137 Cb -0.03 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 1qwu h PHE 137 CO -0.04 -0.19 0.33 -0.92 -2.23 0.00 0.00 178.31 175.27 1qwu h TYR 138 N -0.79 0.58 0.00 0.41 3.20 -0.73 -1.00 116.97 118.65 1qwu h TYR 138 Ca -0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1qwu h TYR 138 Cb 0.53 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1qwu h TYR 138 CO 0.01 0.18 -0.06 0.45 -1.64 0.00 0.00 178.16 177.10 1qwu h HIS 139 N 0.55 0.00 0.00 -3.82 3.86 -1.46 -1.92 115.15 112.36 1qwu h HIS 139 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1qwu h HIS 139 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1qwu h HIS 139 CO -0.13 0.06 -0.31 -0.25 0.86 0.00 0.00 177.93 178.16 1qwu n ASP 140 N -3.28 0.42 -4.78 2.45 9.92 -0.41 -4.92 116.55 115.94 1qwu n ASP 140 Ca -0.01 0.15 -0.36 0.00 -0.53 0.00 0.00 54.79 54.04 1qwu n ASP 140 Cb 0.24 -0.12 -0.03 0.00 -0.64 0.00 0.00 41.12 40.57 1qwu n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qwu s LEU 141 N -3.41 4.09 0.75 0.64 1.43 -0.72 -5.03 118.68 116.42 1qwu s LEU 141 Ca 0.11 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 1qwu s LEU 141 Cb 0.17 -4.22 0.04 0.00 0.03 0.00 0.00 46.19 42.20 1qwu s LEU 141 CO 0.64 -0.59 1.08 -0.83 0.23 0.00 0.00 176.35 176.87 1qwu s GLY 142 N -1.56 1.66 0.37 -3.19 0.00 -1.26 -4.77 107.32 98.58 1qwu s GLY 142 Ca 0.60 0.10 0.09 0.00 0.00 0.00 0.00 44.72 45.50 1qwu s GLY 142 CO 0.28 0.45 1.92 -2.09 0.00 0.00 0.00 173.10 173.66 1qwu h GLU 143 N -0.95 0.65 -0.50 2.90 4.57 -1.97 -0.96 114.58 118.31 1qwu h GLU 143 Ca -0.44 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1qwu h GLU 143 Cb 1.23 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1qwu h GLU 143 CO 0.55 0.43 0.20 -0.97 -1.18 0.00 0.00 179.01 178.04 1qwu h ASN 144 N 0.66 0.69 0.44 1.04 -0.73 -2.00 -2.36 115.58 113.31 1qwu h ASN 144 Ca 0.37 -0.17 -0.15 0.00 1.87 0.00 0.00 56.30 58.23 1qwu h ASN 144 Cb 0.54 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 1qwu h ASN 144 CO -0.14 0.67 -0.62 0.11 -0.37 0.00 0.00 177.43 177.08 1qwu h LYS 145 N 0.67 0.18 -0.79 6.67 1.79 -1.70 -2.37 116.57 121.01 1qwu h LYS 145 Ca 0.17 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1qwu h LYS 145 Cb 0.20 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1qwu h LYS 145 CO -0.01 0.74 0.50 0.87 -1.08 0.00 0.00 179.45 180.47 1qwu h LYS 146 N 0.13 1.06 -0.24 3.15 1.57 -0.99 0.16 116.57 121.41 1qwu h LYS 146 Ca -0.01 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 1qwu h LYS 146 Cb 1.13 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1qwu h LYS 146 CO 0.09 0.72 -0.61 -0.07 -0.57 0.00 0.00 179.45 179.01 1qwu h LEU 147 N 1.08 0.92 -0.76 2.94 3.38 -1.20 -0.57 115.31 121.10 1qwu h LEU 147 Ca 0.29 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1qwu h LEU 147 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1qwu h LEU 147 CO -0.06 1.31 0.30 1.56 0.09 0.00 0.00 178.44 181.65 1qwu h GLN 148 N 0.60 1.13 -0.20 1.13 4.20 -0.88 -1.62 115.11 119.47 1qwu h GLN 148 Ca -0.00 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1qwu h GLN 148 Cb 1.22 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1qwu h GLN 148 CO 0.13 0.92 0.05 1.98 -0.67 0.00 0.00 178.83 181.24 1qwu h MET 149 N 1.09 0.32 -0.64 1.46 4.05 -0.52 -2.10 114.93 118.59 1qwu h MET 149 Ca 0.25 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 1qwu h MET 149 Cb 0.21 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 1qwu h MET 149 CO -0.02 0.45 0.42 0.87 0.23 0.00 0.00 176.91 178.86 1qwu h LYS 150 N 0.14 0.70 -0.05 0.39 1.57 -0.94 -2.23 116.57 116.15 1qwu h LYS 150 Ca 0.06 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 1qwu h LYS 150 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1qwu h LYS 150 CO 0.00 0.47 -0.76 0.66 -0.57 0.00 0.00 179.45 179.25 1qwu h SER 151 N 0.73 0.41 1.13 0.86 4.64 -0.89 -0.37 113.55 120.06 1qwu h SER 151 Ca 0.26 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1qwu h SER 151 Cb 0.12 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qwu h SER 151 CO -0.07 1.03 0.00 2.30 -0.87 0.00 0.00 176.83 179.21 1qwu n ILE 152 N -3.80 0.66 -0.05 0.95 -5.35 -0.83 -1.35 119.36 109.60 1qwu n ILE 152 Ca -0.04 -0.06 -0.18 0.00 -0.27 0.00 0.00 62.75 62.20 1qwu n ILE 152 Cb 0.72 -0.82 -0.13 0.00 -1.74 0.00 0.00 39.64 37.68 1qwu n ILE 152 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1qwu h VAL 153 N 0.00 1.42 -1.00 7.28 2.07 -1.19 -1.36 116.25 123.48 1qwu h VAL 153 Ca 0.00 -2.34 0.06 0.00 0.82 0.00 0.00 66.70 65.24 1qwu h VAL 153 Cb 0.57 2.97 -0.06 0.00 -1.52 0.00 0.00 31.29 33.25 1qwu h VAL 153 CO 0.00 0.56 0.65 0.50 0.02 0.00 0.00 177.57 179.30 1qwu h LYS 154 N -0.81 1.15 -0.00 1.57 3.64 -0.97 -1.63 116.57 119.52 1qwu h LYS 154 Ca -0.15 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1qwu h LYS 154 Cb 1.28 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1qwu h LYS 154 CO -0.02 0.76 0.00 0.27 -2.27 0.00 0.00 179.45 178.19 1qwu n ASN 155 N -4.48 0.14 0.00 4.20 0.23 -0.45 -4.94 115.26 109.95 1qwu n ASN 155 Ca 0.15 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 1qwu n ASN 155 Cb 0.17 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1qwu n ASN 155 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qwu n GLY 156 N 0.97 0.81 0.16 4.83 0.00 -0.61 -4.95 105.19 106.39 1qwu n GLY 156 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1qwu n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qwu h GLN 157 N 3.82 0.49 -5.05 1.61 4.20 -1.62 -3.42 115.11 115.14 1qwu h GLN 157 Ca 0.00 -0.48 -0.65 0.00 0.06 0.00 0.00 58.65 57.58 1qwu h GLN 157 Cb 0.00 0.13 -0.25 0.00 0.30 0.00 0.00 27.48 27.66 1qwu h GLN 157 CO 0.00 1.12 -0.68 -1.17 -0.67 0.00 0.00 178.83 177.44 1qwu s LEU 158 N -8.37 3.16 -0.06 1.46 0.20 -0.57 -1.36 118.68 113.13 1qwu s LEU 158 Ca -0.13 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.46 1qwu s LEU 158 Cb 0.05 -1.81 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 1qwu s LEU 158 CO 0.84 0.02 -0.16 -0.70 -0.29 0.00 0.00 176.35 176.05 1qwu s GLU 159 N 1.28 1.97 0.00 1.98 2.12 -0.28 -4.33 118.70 121.44 1qwu s GLU 159 Ca 0.04 -0.58 -0.25 0.00 0.36 0.00 0.00 54.97 54.54 1qwu s GLU 159 Cb -0.15 -1.62 -0.05 0.00 0.26 0.00 0.00 34.13 32.57 1qwu s GLU 159 CO 0.01 0.15 0.76 -0.06 -0.54 0.00 0.00 175.26 175.57 1qwu s PHE 160 N 0.34 3.67 -0.11 5.30 0.40 -1.26 -0.63 117.98 125.69 1qwu s PHE 160 Ca -0.11 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.64 1qwu s PHE 160 Cb -0.14 -2.84 -0.02 0.00 0.51 0.00 0.00 43.02 40.52 1qwu s PHE 160 CO 0.04 0.18 -0.10 0.14 0.70 0.00 0.00 175.22 176.18 1qwu s VAL 161 N 0.35 3.34 0.00 -0.44 -7.23 -0.29 -4.65 120.40 111.48 1qwu s VAL 161 Ca 0.39 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1qwu s VAL 161 Cb -0.20 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1qwu s VAL 161 CO 0.22 0.55 0.00 0.41 -0.31 0.00 0.00 175.10 175.96 1qwu n THR 162 N 3.04 0.00 -1.19 5.32 -1.04 0.63 -4.23 114.28 116.82 1qwu n THR 162 Ca -0.18 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1qwu n THR 162 Cb 0.53 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1qwu n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qwu n GLY 163 N 0.00 0.38 3.91 3.41 0.00 -1.25 -4.66 105.19 106.97 1qwu n GLY 163 Ca 0.00 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1qwu n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qwu s GLY 164 N -3.00 1.60 0.46 -0.02 0.00 -1.25 -1.69 107.32 103.43 1qwu s GLY 164 Ca 0.00 -0.59 0.14 0.00 0.00 0.00 0.00 44.72 44.27 1qwu s GLY 164 CO 0.00 -0.29 2.05 -0.25 0.00 0.00 0.00 173.10 174.60 1qwu h TRP 165 N -0.26 0.30 -3.45 1.90 -0.00 -1.42 -1.82 115.95 111.20 1qwu h TRP 165 Ca -0.45 0.01 -0.23 0.00 -0.00 0.00 0.00 58.89 58.21 1qwu h TRP 165 Cb 1.25 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 30.25 1qwu h TRP 165 CO 0.49 0.16 -0.19 1.33 -0.00 0.00 0.00 178.44 180.23 1qwu n VAL 166 N -4.48 0.00 -3.66 2.65 0.24 -1.26 -1.33 118.33 110.48 1qwu n VAL 166 Ca 0.05 -1.25 -0.38 0.00 -2.04 0.00 0.00 64.34 60.71 1qwu n VAL 166 Cb 0.24 0.67 -0.10 0.00 -1.47 0.00 0.00 33.84 33.18 1qwu n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1qwu s MET 167 N -2.65 2.31 0.72 7.34 -2.45 -1.26 -4.87 119.30 118.44 1qwu s MET 167 Ca 0.20 -1.91 -0.11 0.00 -1.25 0.00 0.00 55.69 52.63 1qwu s MET 167 Cb 0.00 -3.77 0.02 0.00 1.25 0.00 0.00 34.83 32.34 1qwu s MET 167 CO 0.15 -1.14 1.07 -1.25 1.05 0.00 0.00 175.02 174.89 1qwu s PRO 168 N 1.05 2.70 0.58 4.11 0.04 -1.26 -2.99 135.00 139.23 1qwu s PRO 168 Ca 0.09 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 61.90 1qwu s PRO 168 Cb -0.23 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1qwu s PRO 168 CO -0.03 -1.27 1.25 0.34 0.04 0.00 0.00 177.00 177.33 1qwu s ASP 169 N -3.72 5.20 0.00 6.66 2.15 -0.11 -4.61 116.67 122.24 1qwu s ASP 169 Ca 0.59 2.51 0.07 0.00 0.43 0.00 0.00 52.55 56.15 1qwu s ASP 169 Cb -0.15 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1qwu s ASP 169 CO 0.55 -1.59 0.63 -0.62 -0.17 0.00 0.00 175.17 173.97 1qwu n GLU 170 N -1.40 1.16 -0.11 4.34 1.02 -1.26 -4.42 120.64 119.96 1qwu n GLU 170 Ca 0.13 -0.73 -0.21 0.00 -0.02 0.00 0.00 57.16 56.32 1qwu n GLU 170 Cb 0.48 -1.07 -0.09 0.00 -0.02 0.00 0.00 31.44 30.74 1qwu n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qwu n ALA 171 N 0.06 0.86 0.06 0.62 0.00 -1.26 -4.55 120.51 116.29 1qwu n ALA 171 Ca 0.04 -0.66 0.06 0.00 0.00 0.00 0.00 53.44 52.88 1qwu n ALA 171 Cb 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1qwu n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qwu n ASN 172 N -4.41 0.80 -4.77 0.00 3.02 -1.26 -4.53 115.26 104.12 1qwu n ASN 172 Ca -0.34 0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.14 1qwu n ASN 172 Cb 0.68 0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 40.24 1qwu n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qwu s SER 173 N -5.51 6.46 0.17 6.41 1.04 -1.26 -4.78 113.70 116.24 1qwu s SER 173 Ca -0.02 2.69 -0.24 0.00 0.48 0.00 0.00 55.95 58.85 1qwu s SER 173 Cb 0.09 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 1qwu s SER 173 CO 0.81 -0.75 0.76 -2.28 0.98 0.00 0.00 173.24 172.76 1qwu s HIS 174 N -1.22 3.87 0.50 5.02 2.46 -1.26 -4.24 115.29 120.42 1qwu s HIS 174 Ca 0.54 1.59 0.20 0.00 0.47 0.00 0.00 55.06 57.86 1qwu s HIS 174 Cb -0.39 -2.74 1.25 0.00 -0.13 0.00 0.00 32.58 30.58 1qwu s HIS 174 CO 0.51 0.49 2.02 0.11 -2.47 0.00 0.00 174.74 175.41 1qwu h TRP 175 N 4.19 0.14 -0.92 3.88 5.08 -1.46 -0.04 115.95 126.82 1qwu h TRP 175 Ca -0.47 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.49 1qwu h TRP 175 Cb 1.20 -0.04 -0.04 0.00 -3.00 0.00 0.00 29.16 27.28 1qwu h TRP 175 CO 0.64 0.06 0.54 0.00 -1.28 0.00 0.00 178.44 178.41 1qwu h ARG 176 N 0.13 1.25 0.00 0.12 3.08 -1.92 -0.74 114.38 116.30 1qwu h ARG 176 Ca 0.21 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1qwu h ARG 176 Cb 0.65 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1qwu h ARG 176 CO -0.03 0.88 -0.50 -0.91 -1.07 0.00 0.00 179.97 178.34 1qwu h ASN 177 N 1.27 0.00 -0.36 7.04 2.35 -1.43 -0.24 115.58 124.20 1qwu h ASN 177 Ca 0.33 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 1qwu h ASN 177 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1qwu h ASN 177 CO -0.06 0.50 -0.07 0.58 -1.65 0.00 0.00 177.43 176.73 1qwu h VAL 178 N 0.00 1.27 -0.44 2.81 2.07 -0.89 -0.86 116.25 120.22 1qwu h VAL 178 Ca -0.01 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1qwu h VAL 178 Cb 1.35 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1qwu h VAL 178 CO 0.07 0.37 -0.01 0.25 0.02 0.00 0.00 177.57 178.27 1qwu h LEU 179 N 0.49 0.77 -0.19 2.57 5.85 -1.04 -1.86 115.31 121.89 1qwu h LEU 179 Ca 0.09 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1qwu h LEU 179 Cb 0.58 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1qwu h LEU 179 CO 0.03 0.90 -0.11 0.25 -0.34 0.00 0.00 178.44 179.17 1qwu h LEU 180 N 0.62 -0.36 -0.77 2.25 5.85 -0.87 0.43 115.31 122.46 1qwu h LEU 180 Ca 0.12 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 1qwu h LEU 180 Cb 0.51 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1qwu h LEU 180 CO 0.02 -0.14 -0.44 0.06 -0.34 0.00 0.00 178.44 177.60 1qwu h GLN 181 N -0.10 0.40 -0.35 1.25 -0.00 -1.11 -0.47 115.11 114.73 1qwu h GLN 181 Ca 0.11 -0.21 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 1qwu h GLN 181 Cb 0.26 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.73 1qwu h GLN 181 CO -0.25 0.76 0.16 1.25 -0.00 0.00 0.00 178.83 180.75 1qwu h LEU 182 N 0.32 0.47 -0.83 0.06 5.85 -0.97 -0.80 115.31 119.42 1qwu h LEU 182 Ca 0.02 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1qwu h LEU 182 Cb 0.90 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1qwu h LEU 182 CO 0.08 0.48 0.08 0.74 -0.34 0.00 0.00 178.44 179.48 1qwu h THR 183 N 0.43 1.25 -0.44 1.05 2.02 -0.62 -1.00 112.91 115.60 1qwu h THR 183 Ca 0.12 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1qwu h THR 183 Cb 0.15 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1qwu h THR 183 CO -0.01 0.36 0.19 -0.08 0.37 0.00 0.00 175.52 176.36 1qwu h GLU 184 N 0.90 0.64 -0.20 6.66 4.57 -0.85 0.34 114.58 126.64 1qwu h GLU 184 Ca 0.18 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 1qwu h GLU 184 Cb 0.42 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1qwu h GLU 184 CO 0.01 0.57 -0.43 0.78 -1.18 0.00 0.00 179.01 178.76 1qwu h GLY 185 N 0.56 0.70 1.95 1.92 0.00 -1.28 -2.90 103.07 104.02 1qwu h GLY 185 Ca 0.15 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 1qwu h GLY 185 CO -0.02 0.76 -0.49 1.46 0.00 0.00 0.00 176.54 178.25 1qwu h GLN 186 N 0.32 0.06 -0.41 4.80 4.20 -0.27 -0.57 115.11 123.24 1qwu h GLN 186 Ca 0.00 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1qwu h GLN 186 Cb 1.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1qwu h GLN 186 CO 0.09 0.54 -0.28 1.15 -0.67 0.00 0.00 178.83 179.66 1qwu h THR 187 N 0.05 1.28 -0.16 -0.54 2.02 -0.96 -0.33 112.91 114.27 1qwu h THR 187 Ca -0.00 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 1qwu h THR 187 Cb 0.88 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1qwu h THR 187 CO 0.07 0.49 0.07 -0.25 0.37 0.00 0.00 175.52 176.27 1qwu h TRP 188 N 0.73 0.22 -0.68 3.16 7.01 -1.31 -2.04 115.95 123.04 1qwu h TRP 188 Ca 0.08 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1qwu h TRP 188 Cb 0.86 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 1qwu h TRP 188 CO 0.06 0.26 0.44 -0.07 -2.79 0.00 0.00 178.44 176.34 1qwu h LEU 189 N 0.12 0.75 -0.43 0.65 3.38 -0.89 -0.44 115.31 118.45 1qwu h LEU 189 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1qwu h LEU 189 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1qwu h LEU 189 CO -0.01 0.53 0.20 0.50 0.09 0.00 0.00 178.44 179.75 1qwu h LYS 190 N 0.88 0.62 0.03 1.13 3.64 -0.95 0.23 116.57 122.16 1qwu h LYS 190 Ca 0.26 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1qwu h LYS 190 Cb -0.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1qwu h LYS 190 CO -0.08 0.55 -0.01 0.37 -2.27 0.00 0.00 179.45 178.00 1qwu h GLN 191 N 0.55 -0.03 0.00 1.90 4.15 -0.90 -2.50 115.11 118.27 1qwu h GLN 191 Ca 0.15 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.40 1qwu h GLN 191 Cb 0.13 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1qwu h GLN 191 CO -0.02 0.19 -1.96 1.19 -1.93 0.00 0.00 178.83 176.31 1qwu n PHE 192 N -5.00 0.28 0.37 3.99 3.01 -0.22 -4.51 117.46 115.39 1qwu n PHE 192 Ca -0.08 0.09 0.04 0.00 1.01 0.00 0.00 57.45 58.51 1qwu n PHE 192 Cb 0.14 -0.84 -0.04 0.00 -0.01 0.00 0.00 39.48 38.73 1qwu n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1qwu n MET 193 N -2.60 3.94 -3.71 -1.08 2.81 0.61 -4.99 117.12 112.09 1qwu n MET 193 Ca -0.16 -0.11 -0.26 0.00 -1.81 0.00 0.00 57.70 55.37 1qwu n MET 193 Cb 0.84 -0.91 0.06 0.00 -0.71 0.00 0.00 33.22 32.51 1qwu n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qwu n ASN 194 N -1.00 -5.28 -3.89 7.83 5.15 0.01 -4.88 115.26 113.21 1qwu n ASN 194 Ca 0.02 -0.64 -0.11 0.00 -0.60 0.00 0.00 54.58 53.25 1qwu n ASN 194 Cb 0.13 -4.59 -0.10 0.00 -0.53 0.00 0.00 39.78 34.69 1qwu n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1qwu s VAL 195 N -3.33 0.08 -0.27 3.44 -7.23 -1.20 -4.97 120.40 106.92 1qwu s VAL 195 Ca 0.55 -0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 60.05 1qwu s VAL 195 Cb -0.26 -0.38 0.08 0.00 0.56 0.00 0.00 36.38 36.39 1qwu s VAL 195 CO 0.77 -0.36 0.05 -0.89 -0.31 0.00 0.00 175.10 174.36 1qwu s THR 196 N -1.25 0.99 0.34 5.32 2.01 -1.26 -3.27 115.64 118.52 1qwu s THR 196 Ca -0.13 -1.20 -0.28 0.00 0.31 0.00 0.00 61.69 60.39 1qwu s THR 196 Cb -0.07 -1.58 -0.12 0.00 0.01 0.00 0.00 72.50 70.73 1qwu s THR 196 CO 0.01 -0.44 1.22 -2.65 -0.69 0.00 0.00 174.62 172.07 1qwu n PRO 197 N 4.83 1.93 -0.00 4.92 -0.02 -1.26 -4.91 135.00 140.49 1qwu n PRO 197 Ca -0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1qwu n PRO 197 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1qwu n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qwu n THR 198 N 0.25 0.25 -5.24 3.45 -2.24 -1.26 -4.77 114.28 104.73 1qwu n THR 198 Ca 0.06 -0.63 -0.32 0.00 -2.27 0.00 0.00 64.05 60.90 1qwu n THR 198 Cb 0.36 0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 1qwu n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwu s ALA 199 N -0.28 2.19 0.10 6.98 0.00 -1.26 -0.76 121.76 128.74 1qwu s ALA 199 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1qwu s ALA 199 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1qwu s ALA 199 CO 0.00 0.40 0.07 0.45 0.00 0.00 0.00 175.76 176.69 1qwu s SER 200 N -0.10 5.42 -0.17 0.00 0.15 -0.44 -0.27 113.70 118.28 1qwu s SER 200 Ca -0.05 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 1qwu s SER 200 Cb -0.14 -1.41 0.06 0.00 -1.71 0.00 0.00 66.02 62.81 1qwu s SER 200 CO 0.04 0.15 0.05 0.86 1.20 0.00 0.00 173.24 175.54 1qwu s TRP 201 N -1.46 0.68 -0.41 3.44 -0.11 -1.26 -1.58 118.94 118.24 1qwu s TRP 201 Ca 0.29 -0.59 0.02 0.00 1.22 0.00 0.00 56.10 57.04 1qwu s TRP 201 Cb -0.12 -0.88 0.13 0.00 -1.50 0.00 0.00 33.47 31.11 1qwu s TRP 201 CO 0.22 -0.54 0.22 0.00 -4.62 0.00 0.00 176.95 172.22 1qwu s ALA 202 N 1.97 1.92 -1.36 5.86 0.00 -0.72 -4.85 121.76 124.58 1qwu s ALA 202 Ca 0.01 -2.40 0.21 0.00 0.00 0.00 0.00 51.96 49.77 1qwu s ALA 202 Cb -0.16 -1.83 -0.15 0.00 0.00 0.00 0.00 23.12 20.98 1qwu s ALA 202 CO -0.08 -2.04 0.96 0.44 0.00 0.00 0.00 175.76 175.04 1qwu n ILE 203 N 3.74 0.00 0.00 0.00 -5.35 -1.26 -3.05 119.36 113.44 1qwu n ILE 203 Ca 0.08 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1qwu n ILE 203 Cb 0.35 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1qwu n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1qwu n ASP 204 N -0.96 1.17 -4.68 7.28 4.64 -1.26 -4.39 116.55 118.35 1qwu n ASP 204 Ca 0.06 -0.34 -0.37 0.00 -1.38 0.00 0.00 54.79 52.75 1qwu n ASP 204 Cb 0.38 0.92 0.06 0.00 -1.04 0.00 0.00 41.12 41.44 1qwu n ASP 204 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1qwu n PRO 205 N -1.04 1.09 -2.75 -0.67 -0.02 -1.26 -4.87 135.00 125.47 1qwu n PRO 205 Ca 0.00 0.42 -0.44 0.00 -2.02 0.00 0.00 63.50 61.47 1qwu n PRO 205 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1qwu n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qwu n PHE 206 N -1.75 4.41 0.00 6.00 3.72 -1.26 -4.34 117.46 124.25 1qwu n PHE 206 Ca 0.14 -3.18 0.00 0.00 -0.05 0.00 0.00 57.45 54.37 1qwu n PHE 206 Cb 0.47 -2.16 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 1qwu n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qwu n GLY 207 N 3.82 2.34 3.18 1.37 0.00 -0.97 -4.59 105.19 110.34 1qwu n GLY 207 Ca 0.39 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 1qwu n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qwu s HIS 208 N -2.75 1.30 0.02 1.61 3.76 -1.03 -4.65 115.29 113.54 1qwu s HIS 208 Ca 0.00 -0.41 0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1qwu s HIS 208 Cb 0.00 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.92 1qwu s HIS 208 CO 0.00 0.07 -0.15 0.45 -0.85 0.00 0.00 174.74 174.26 1qwu s SER 209 N -1.53 4.01 0.00 1.40 0.15 -1.26 -1.05 113.70 115.42 1qwu s SER 209 Ca 0.00 -0.32 0.18 0.00 0.70 0.00 0.00 55.95 56.51 1qwu s SER 209 Cb -0.09 -0.75 0.85 0.00 -1.71 0.00 0.00 66.02 64.32 1qwu s SER 209 CO 0.02 0.28 1.55 -0.81 1.20 0.00 0.00 173.24 175.48 1qwu n PRO 210 N 1.69 0.16 0.25 5.44 -0.04 -1.26 -2.17 135.00 139.07 1qwu n PRO 210 Ca -0.16 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1qwu n PRO 210 Cb 0.52 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.14 1qwu n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qwu h THR 211 N 0.00 0.86 0.58 0.52 2.02 -1.94 -2.35 112.91 112.60 1qwu h THR 211 Ca 0.00 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1qwu h THR 211 Cb 0.22 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1qwu h THR 211 CO 0.00 0.10 -0.28 0.24 0.37 0.00 0.00 175.52 175.95 1qwu h MET 212 N 0.00 -0.75 -0.02 6.66 2.86 -1.85 -1.58 114.93 120.25 1qwu h MET 212 Ca -0.00 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1qwu h MET 212 Cb 0.22 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1qwu h MET 212 CO 0.01 -0.44 0.01 -1.00 1.06 0.00 0.00 176.91 176.55 1qwu h PRO 213 N -1.07 0.03 0.19 -0.22 0.13 -1.75 0.72 132.00 130.04 1qwu h PRO 213 Ca -0.08 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1qwu h PRO 213 Cb 0.66 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 1qwu h PRO 213 CO 0.13 0.03 -0.26 -0.92 -0.23 0.00 0.00 178.00 176.74 1qwu h TYR 214 N 0.03 -0.70 -0.33 1.56 3.20 -1.14 0.90 116.97 120.49 1qwu h TYR 214 Ca 0.01 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1qwu h TYR 214 Cb 0.01 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1qwu h TYR 214 CO 0.00 -0.38 -0.16 0.82 -1.64 0.00 0.00 178.16 176.81 1qwu h ILE 215 N -0.52 1.29 -0.41 1.81 2.04 -0.91 -3.07 117.51 117.74 1qwu h ILE 215 Ca 0.01 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1qwu h ILE 215 Cb 0.51 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1qwu h ILE 215 CO -0.10 0.41 0.15 -0.07 0.00 0.00 0.00 178.15 178.53 1qwu h LEU 216 N 0.45 0.59 -1.93 1.44 3.38 -0.76 -2.00 115.31 116.48 1qwu h LEU 216 Ca 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1qwu h LEU 216 Cb 0.69 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1qwu h LEU 216 CO 0.05 0.62 -0.12 -0.61 0.09 0.00 0.00 178.44 178.47 1qwu h GLN 217 N 0.52 0.00 -0.50 1.13 -0.00 -0.87 0.29 115.11 115.67 1qwu h GLN 217 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1qwu h GLN 217 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.71 1qwu h GLN 217 CO -0.01 0.12 0.00 1.63 0.00 0.00 0.00 178.83 180.57 1qwu n LYS 218 N -3.81 2.19 -0.51 1.69 5.02 -0.83 -3.71 118.16 118.18 1qwu n LYS 218 Ca -0.02 -1.84 0.06 0.00 -2.02 0.00 0.00 58.31 54.49 1qwu n LYS 218 Cb 0.22 -1.40 0.12 0.00 -0.02 0.00 0.00 35.03 33.94 1qwu n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qwu n SER 219 N 1.00 1.54 0.00 4.39 7.64 -0.03 -1.58 113.62 126.58 1qwu n SER 219 Ca 0.17 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1qwu n SER 219 Cb 0.44 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1qwu n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qwu n GLY 220 N -0.81 1.17 3.79 0.23 0.00 -1.12 -4.93 105.19 103.52 1qwu n GLY 220 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1qwu n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qwu s PHE 221 N -3.25 2.82 -0.01 1.61 0.40 -0.48 -4.83 117.98 114.24 1qwu s PHE 221 Ca 0.00 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 1qwu s PHE 221 Cb 0.00 -3.15 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 1qwu s PHE 221 CO 0.00 -1.27 0.02 1.63 0.70 0.00 0.00 175.22 176.30 1qwu n LYS 222 N -1.49 1.87 -3.68 0.44 4.01 0.06 -4.57 118.16 114.79 1qwu n LYS 222 Ca 0.10 -0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.78 1qwu n LYS 222 Cb 0.52 -0.89 -0.06 0.00 -0.51 0.00 0.00 35.03 34.09 1qwu n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1qwu s ASN 223 N -1.81 -0.21 0.06 4.39 -0.87 -1.06 -3.82 114.94 111.62 1qwu s ASN 223 Ca -0.00 -0.17 -0.16 0.00 -1.57 0.00 0.00 52.86 50.96 1qwu s ASN 223 Cb 0.01 0.42 0.03 0.00 -0.02 0.00 0.00 41.25 41.69 1qwu s ASN 223 CO 0.03 -0.72 0.36 0.00 -2.57 0.00 0.00 177.10 174.21 1qwu s MET 224 N -2.98 0.90 -0.02 -0.60 0.23 -0.49 -1.32 119.30 115.01 1qwu s MET 224 Ca -0.02 -0.48 0.03 0.00 -1.03 0.00 0.00 55.69 54.19 1qwu s MET 224 Cb 0.00 0.39 -0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1qwu s MET 224 CO -0.06 -0.31 -0.10 -1.17 -2.03 0.00 0.00 175.02 171.35 1qwu s LEU 225 N -2.16 1.87 0.15 0.18 0.20 -0.61 -0.69 118.68 117.62 1qwu s LEU 225 Ca -0.04 -0.21 0.05 0.00 0.69 0.00 0.00 54.13 54.63 1qwu s LEU 225 Cb -0.00 -0.59 -0.04 0.00 -0.43 0.00 0.00 46.19 45.12 1qwu s LEU 225 CO -0.04 0.09 -0.11 0.27 -0.29 0.00 0.00 176.35 176.27 1qwu s ILE 226 N 0.05 1.24 0.04 6.68 -4.36 -0.35 -1.76 121.20 122.75 1qwu s ILE 226 Ca -0.01 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1qwu s ILE 226 Cb -0.08 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.82 1qwu s ILE 226 CO 0.00 -0.69 0.00 1.67 0.24 0.00 0.00 174.94 176.16 1qwu n GLN 227 N -0.12 0.00 -2.46 0.37 -0.06 -1.17 -1.33 117.38 112.61 1qwu n GLN 227 Ca -0.11 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.51 1qwu n GLN 227 Cb 0.60 -0.16 -0.03 0.00 -4.06 0.00 0.00 30.24 26.59 1qwu n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1qwu s ARG 228 N -2.00 3.41 0.16 3.69 0.52 -1.26 -4.74 118.95 118.73 1qwu s ARG 228 Ca 0.00 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.24 1qwu s ARG 228 Cb 0.00 -5.32 -0.04 0.00 0.52 0.00 0.00 34.95 30.11 1qwu s ARG 228 CO 0.00 -2.47 -0.15 0.95 0.02 0.00 0.00 175.30 173.66 1qwu s THR 229 N 5.99 1.53 0.15 0.02 -4.23 -1.26 -2.29 115.64 115.54 1qwu s THR 229 Ca 0.52 -1.94 -0.34 0.00 -1.18 0.00 0.00 61.69 58.74 1qwu s THR 229 Cb -0.01 -1.78 -0.16 0.00 1.34 0.00 0.00 72.50 71.89 1qwu s THR 229 CO -0.06 -0.49 1.30 1.57 -0.54 0.00 0.00 174.62 176.39 1qwu n HIS 230 N 0.13 1.56 -0.06 3.99 -0.00 -1.26 -4.76 115.22 114.83 1qwu n HIS 230 Ca -0.12 0.60 0.19 0.00 0.46 0.00 0.00 57.72 58.85 1qwu n HIS 230 Cb 0.58 -2.34 0.64 0.00 -0.12 0.00 0.00 29.99 28.75 1qwu n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 1qwu h TYR 231 N 4.16 0.14 -0.27 1.57 -0.00 -1.83 -0.12 116.97 120.62 1qwu h TYR 231 Ca -0.45 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.14 1qwu h TYR 231 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 38.00 1qwu h TYR 231 CO 0.57 0.05 -0.42 0.77 -0.00 0.00 0.00 178.16 179.14 1qwu h SER 232 N 0.12 0.69 -0.29 0.10 0.02 -1.89 -2.24 113.55 110.06 1qwu h SER 232 Ca 0.29 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1qwu h SER 232 Cb 1.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1qwu h SER 232 CO -0.03 1.02 0.01 0.58 -1.14 0.00 0.00 176.83 177.27 1qwu h VAL 233 N 0.53 1.25 -0.19 2.27 2.07 -1.39 -1.10 116.25 119.69 1qwu h VAL 233 Ca 0.04 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1qwu h VAL 233 Cb 0.94 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1qwu h VAL 233 CO 0.09 0.29 -0.11 0.11 0.02 0.00 0.00 177.57 177.96 1qwu h LYS 234 N 0.30 -0.10 -0.09 1.57 1.57 -1.32 0.02 116.57 118.52 1qwu h LYS 234 Ca 0.08 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1qwu h LYS 234 Cb 0.41 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1qwu h LYS 234 CO 0.01 -0.07 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.52 1qwu h LYS 235 N -0.10 -0.10 0.16 3.15 3.64 -1.26 0.11 116.57 122.17 1qwu h LYS 235 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1qwu h LYS 235 Cb 0.26 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1qwu h LYS 235 CO -0.26 -0.07 -0.17 1.49 -2.27 0.00 0.00 179.45 178.17 1qwu h GLU 236 N -0.10 -0.36 -0.30 1.90 4.57 -0.89 -1.66 114.58 117.75 1qwu h GLU 236 Ca 0.06 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1qwu h GLU 236 Cb 0.19 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1qwu h GLU 236 CO -0.15 -0.24 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.25 1qwu h LEU 237 N -0.37 0.49 -0.52 1.64 3.38 -0.89 -2.77 115.31 116.27 1qwu h LEU 237 Ca 0.01 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1qwu h LEU 237 Cb 0.36 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1qwu h LEU 237 CO -0.05 0.65 0.33 0.00 0.09 0.00 0.00 178.44 179.46 1qwu h ALA 238 N 1.40 0.67 0.00 1.53 0.00 -0.46 0.28 119.26 122.68 1qwu h ALA 238 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1qwu h ALA 238 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qwu h ALA 238 CO 0.03 0.06 -0.09 1.96 0.00 0.00 0.00 179.25 181.21 1qwu h GLN 239 N 0.67 0.00 -0.39 0.00 4.20 -1.02 -1.17 115.11 117.40 1qwu h GLN 239 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1qwu h GLN 239 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1qwu h GLN 239 CO -0.07 0.09 0.00 1.04 -0.67 0.00 0.00 178.83 179.22 1qwu n GLN 240 N -4.18 2.50 -3.80 1.46 1.13 -0.90 -4.95 117.38 108.64 1qwu n GLN 240 Ca -0.03 -2.29 -0.24 0.00 -1.94 0.00 0.00 57.00 52.50 1qwu n GLN 240 Cb 0.17 -1.51 0.02 0.00 0.11 0.00 0.00 30.24 29.03 1qwu n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1qwu n ARG 241 N 1.48 -4.59 -1.01 -1.09 1.74 -0.10 -4.89 116.66 108.21 1qwu n ARG 241 Ca 0.19 0.56 -0.06 0.00 -0.77 0.00 0.00 57.85 57.77 1qwu n ARG 241 Cb 0.60 -5.07 0.16 0.00 -1.02 0.00 0.00 32.46 27.13 1qwu n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qwu n GLN 242 N -4.37 2.15 0.16 5.56 6.02 0.79 -4.62 117.38 123.06 1qwu n GLN 242 Ca -0.24 -3.45 0.13 0.00 -0.01 0.00 0.00 57.00 53.42 1qwu n GLN 242 Cb 0.65 -1.86 0.33 0.00 1.02 0.00 0.00 30.24 30.39 1qwu n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1qwu h LEU 243 N 1.29 0.00 -8.51 1.08 3.38 -1.81 -3.42 115.31 107.32 1qwu h LEU 243 Ca 0.18 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.49 1qwu h LEU 243 Cb 1.34 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.81 1qwu h LEU 243 CO 0.37 0.00 -0.79 -1.61 0.09 0.00 0.00 178.44 176.50 1qwu s GLU 244 N -3.18 3.30 0.22 1.13 2.02 -1.26 -0.06 118.70 120.88 1qwu s GLU 244 Ca 0.09 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 1qwu s GLU 244 Cb 0.09 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.72 1qwu s GLU 244 CO 0.61 0.14 0.52 -0.59 0.02 0.00 0.00 175.26 175.96 1qwu s PHE 245 N 0.53 0.07 -0.54 1.61 -0.12 -0.15 -4.36 117.98 115.01 1qwu s PHE 245 Ca -0.10 -0.44 -0.16 0.00 -0.05 0.00 0.00 56.93 56.18 1qwu s PHE 245 Cb -0.16 0.35 0.12 0.00 -0.63 0.00 0.00 43.02 42.70 1qwu s PHE 245 CO 0.04 -0.98 0.52 -0.51 -0.05 0.00 0.00 175.22 174.23 1qwu s LEU 246 N -2.94 6.01 -0.43 -1.99 1.43 -0.56 0.48 118.68 120.69 1qwu s LEU 246 Ca 0.15 -1.68 -0.27 0.00 -1.03 0.00 0.00 54.13 51.29 1qwu s LEU 246 Cb -0.01 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1qwu s LEU 246 CO 0.03 -0.87 1.00 0.86 0.23 0.00 0.00 176.35 177.60 1qwu s TRP 247 N 1.75 2.96 0.32 0.29 -0.11 -0.78 -1.57 118.94 121.80 1qwu s TRP 247 Ca 0.04 0.67 0.09 0.00 1.22 0.00 0.00 56.10 58.12 1qwu s TRP 247 Cb -0.29 -3.99 -0.05 0.00 -1.50 0.00 0.00 33.47 27.64 1qwu s TRP 247 CO 0.04 -1.04 0.05 -0.98 -4.62 0.00 0.00 176.95 170.39 1qwu s ARG 248 N 3.88 2.21 0.55 5.86 1.70 -0.18 -1.87 118.95 131.10 1qwu s ARG 248 Ca 0.41 -1.61 -0.20 0.00 -0.47 0.00 0.00 55.73 53.87 1qwu s ARG 248 Cb -0.10 -2.06 -0.06 0.00 -0.57 0.00 0.00 34.95 32.17 1qwu s ARG 248 CO 0.25 0.18 1.14 -0.65 -1.08 0.00 0.00 175.30 175.14 1qwu s GLN 249 N -3.74 3.33 0.58 3.89 -1.52 -1.26 -4.26 119.66 116.67 1qwu s GLN 249 Ca 0.35 1.64 0.28 0.00 -1.95 0.00 0.00 55.36 55.68 1qwu s GLN 249 Cb -0.02 -2.01 1.66 0.00 -0.22 0.00 0.00 33.01 32.42 1qwu s GLN 249 CO 0.20 -0.88 2.16 -0.84 -0.25 0.00 0.00 175.29 175.68 1qwu h ILE 250 N 1.19 0.56 -0.01 1.08 3.07 -1.94 -1.65 117.51 119.81 1qwu h ILE 250 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1qwu h ILE 250 Cb 1.27 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1qwu h ILE 250 CO 0.57 0.00 -0.52 -2.67 -1.05 0.00 0.00 178.15 174.47 1qwu n TRP 251 N -3.92 0.00 -2.28 0.16 2.14 -1.26 -4.56 117.44 107.71 1qwu n TRP 251 Ca -0.00 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.20 1qwu n TRP 251 Cb 0.22 -0.06 -0.04 0.00 -0.81 0.00 0.00 31.31 30.63 1qwu n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1qwu s ASP 252 N -2.63 5.73 0.15 -0.67 2.15 -0.62 -4.72 116.67 116.06 1qwu s ASP 252 Ca 0.17 -0.51 -0.03 0.00 0.43 0.00 0.00 52.55 52.61 1qwu s ASP 252 Cb 0.18 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 1qwu s ASP 252 CO 0.63 -2.15 1.38 -1.13 -0.17 0.00 0.00 175.17 173.73 1qwu h ASN 253 N 11.68 0.53 0.30 -0.34 -0.73 -1.87 -3.32 115.58 121.83 1qwu h ASN 253 Ca -0.07 -0.38 -0.28 0.00 1.87 0.00 0.00 56.30 57.44 1qwu h ASN 253 Cb 1.06 -0.16 0.02 0.00 0.27 0.00 0.00 38.32 39.51 1qwu h ASN 253 CO 1.28 1.14 -1.22 0.50 -0.37 0.00 0.00 177.43 178.76 1qwu h LYS 254 N 0.27 0.49 0.00 6.67 3.64 -1.98 -3.44 116.57 122.23 1qwu h LYS 254 Ca -0.05 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 1qwu h LYS 254 Cb 1.42 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1qwu h LYS 254 CO 0.14 1.30 0.00 0.41 -2.27 0.00 0.00 179.45 179.03 1qwu n GLY 255 N 1.37 1.04 0.03 5.01 0.00 -1.25 -4.98 105.19 106.41 1qwu n GLY 255 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1qwu n GLY 255 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qwu n ASP 256 N 0.00 0.16 -0.27 1.61 8.00 -1.26 -2.32 116.55 122.48 1qwu n ASP 256 Ca 0.00 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.17 1qwu n ASP 256 Cb 0.00 -0.57 0.47 0.00 -0.02 0.00 0.00 41.12 41.00 1qwu n ASP 256 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1qwu n THR 257 N -1.67 0.00 -1.71 -3.53 -2.24 -1.26 -4.97 114.28 98.89 1qwu n THR 257 Ca 0.04 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1qwu n THR 257 Cb 0.23 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1qwu n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwu n ALA 258 N -0.53 1.59 -3.72 6.98 0.00 -0.98 -4.70 120.51 119.16 1qwu n ALA 258 Ca 0.14 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1qwu n ALA 258 Cb 0.33 -2.31 -0.17 0.00 0.00 0.00 0.00 19.45 17.30 1qwu n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qwu s LEU 259 N -0.84 0.84 0.21 0.00 2.96 -0.78 -4.91 118.68 116.16 1qwu s LEU 259 Ca 0.59 -0.00 -0.32 0.00 -0.22 0.00 0.00 54.13 54.18 1qwu s LEU 259 Cb -0.56 -0.22 -0.12 0.00 0.50 0.00 0.00 46.19 45.79 1qwu s LEU 259 CO 0.58 -0.15 1.68 0.33 -1.32 0.00 0.00 176.35 177.47 1qwu n PHE 260 N 4.56 2.69 -4.53 5.38 7.35 -1.25 -1.86 117.46 129.80 1qwu n PHE 260 Ca -0.18 0.10 -0.22 0.00 -0.76 0.00 0.00 57.45 56.38 1qwu n PHE 260 Cb 0.50 -2.64 -0.16 0.00 0.35 0.00 0.00 39.48 37.53 1qwu n PHE 260 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1qwu s THR 261 N 0.98 0.99 -0.24 -2.13 2.01 0.18 -1.39 115.64 116.03 1qwu s THR 261 Ca 0.74 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.24 1qwu s THR 261 Cb -0.53 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.12 1qwu s THR 261 CO 0.35 0.30 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.27 1qwu s HIS 262 N 0.19 3.03 -0.20 4.92 2.46 0.14 -0.98 115.29 124.84 1qwu s HIS 262 Ca -0.04 -1.18 -0.14 0.00 0.47 0.00 0.00 55.06 54.17 1qwu s HIS 262 Cb -0.10 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.19 1qwu s HIS 262 CO 0.01 -0.62 0.33 1.41 -2.47 0.00 0.00 174.74 173.39 1qwu s MET 263 N 1.42 4.16 0.54 2.88 1.75 0.92 -1.21 119.30 129.76 1qwu s MET 263 Ca 0.03 0.07 -0.20 0.00 -1.25 0.00 0.00 55.69 54.34 1qwu s MET 263 Cb -0.16 -3.52 -0.06 0.00 2.84 0.00 0.00 34.83 33.94 1qwu s MET 263 CO -0.03 0.02 1.16 -1.64 -0.65 0.00 0.00 175.02 173.89 1qwu s MET 264 N 1.13 3.36 0.24 4.11 -1.94 -0.44 -4.80 119.30 120.95 1qwu s MET 264 Ca 0.16 1.72 0.23 0.00 -1.71 0.00 0.00 55.69 56.09 1qwu s MET 264 Cb -0.14 -2.09 0.23 0.00 2.01 0.00 0.00 34.83 34.84 1qwu s MET 264 CO 0.06 -0.87 1.30 -1.00 -0.01 0.00 0.00 175.02 174.51 1qwu h PRO 265 N 1.33 0.00 0.00 2.03 0.13 -1.92 -3.46 132.00 130.11 1qwu h PRO 265 Ca -0.50 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.21 1qwu h PRO 265 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1qwu h PRO 265 CO 0.57 0.00 -0.14 1.19 -0.23 0.00 0.00 178.00 179.39 1qwu n PHE 266 N -2.61 -1.53 0.03 1.56 0.99 -1.26 -4.81 117.46 109.83 1qwu n PHE 266 Ca 0.02 -1.75 0.01 0.00 -0.00 0.00 0.00 57.45 55.73 1qwu n PHE 266 Cb 0.51 -0.39 0.33 0.00 -1.00 0.00 0.00 39.48 38.93 1qwu n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1qwu h TYR 267 N 0.38 0.46 -4.32 1.38 3.20 -1.95 -3.46 116.97 112.66 1qwu h TYR 267 Ca -0.25 -0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.39 1qwu h TYR 267 Cb 0.99 -0.13 -0.14 0.00 1.54 0.00 0.00 36.73 38.99 1qwu h TYR 267 CO 0.00 0.48 -0.50 0.45 -1.64 0.00 0.00 178.16 176.95 1qwu s SER 268 N -6.78 0.11 0.00 -2.11 0.15 -1.26 -5.02 113.70 98.79 1qwu s SER 268 Ca -0.07 -1.23 0.23 0.00 0.70 0.00 0.00 55.95 55.59 1qwu s SER 268 Cb 0.15 0.41 0.46 0.00 -1.71 0.00 0.00 66.02 65.34 1qwu s SER 268 CO 0.76 -0.89 1.41 0.00 1.20 0.00 0.00 173.24 175.72 1qwu n TYR 269 N -0.26 0.29 -1.18 3.44 0.18 -1.26 -4.51 117.16 113.85 1qwu n TYR 269 Ca -0.01 -0.15 -0.29 0.00 1.88 0.00 0.00 57.90 59.34 1qwu n TYR 269 Cb 0.65 0.00 0.18 0.00 -0.38 0.00 0.00 39.34 39.78 1qwu n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1qwu s ASP 270 N -1.67 2.61 0.21 9.48 1.47 -1.26 -4.59 116.67 122.92 1qwu s ASP 270 Ca 0.35 1.16 -0.10 0.00 1.18 0.00 0.00 52.55 55.14 1qwu s ASP 270 Cb 0.21 -1.82 0.16 0.00 -0.34 0.00 0.00 42.92 41.12 1qwu s ASP 270 CO 0.31 -3.14 1.87 0.40 0.68 0.00 0.00 175.17 175.28 1qwu h ILE 271 N -1.90 1.21 -0.21 2.11 2.04 -1.88 -2.26 117.51 116.62 1qwu h ILE 271 Ca -0.55 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 64.95 1qwu h ILE 271 Cb 1.33 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1qwu h ILE 271 CO 0.58 0.21 0.21 -0.65 0.00 0.00 0.00 178.15 178.50 1qwu h PRO 272 N 1.04 0.00 -0.29 2.37 0.11 -1.88 -2.07 132.00 131.29 1qwu h PRO 272 Ca 0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 1qwu h PRO 272 Cb -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1qwu h PRO 272 CO -0.06 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.46 1qwu n HIS 273 N -3.91 1.04 0.00 0.65 8.25 -0.88 -3.72 115.22 116.64 1qwu n HIS 273 Ca 0.02 -0.95 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 1qwu n HIS 273 Cb 0.34 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qwu n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1qwu n THR 274 N -0.53 0.00 0.10 1.59 -2.24 -0.78 -4.59 114.28 107.83 1qwu n THR 274 Ca 0.23 -0.28 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1qwu n THR 274 Cb 0.93 0.93 -0.00 0.00 -2.10 0.00 0.00 70.33 70.09 1qwu n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwu n GLY 276 N 1.24 -1.40 0.29 0.00 0.00 -1.26 -3.48 105.19 100.59 1qwu n GLY 276 Ca -0.02 -1.01 0.18 0.00 0.00 0.00 0.00 46.02 45.16 1qwu n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwu h PRO 277 N 0.00 0.00 -4.36 1.61 0.13 -1.93 -3.42 132.00 124.03 1qwu h PRO 277 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1qwu h PRO 277 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1qwu h PRO 277 CO 0.00 0.03 -0.44 0.34 -0.23 0.00 0.00 178.00 177.71 1qwu s ASP 278 N -5.64 5.59 0.58 1.44 -1.08 -1.26 -3.47 116.67 112.83 1qwu s ASP 278 Ca -0.01 -1.88 0.29 0.00 -0.52 0.00 0.00 52.55 50.43 1qwu s ASP 278 Cb 0.11 -1.97 1.77 0.00 -1.46 0.00 0.00 42.92 41.37 1qwu s ASP 278 CO 0.52 -0.64 2.23 1.55 0.52 0.00 0.00 175.17 179.35 1qwu h PRO 279 N 8.36 0.00 -0.04 4.34 0.13 -1.80 -0.64 132.00 142.34 1qwu h PRO 279 Ca -0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.85 1qwu h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1qwu h PRO 279 CO 0.81 0.01 -0.35 -0.22 -0.23 0.00 0.00 178.00 178.02 1qwu h LYS 280 N 0.00 0.07 0.00 0.86 3.64 -1.92 -0.71 116.57 118.51 1qwu h LYS 280 Ca -0.00 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1qwu h LYS 280 Cb 0.04 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1qwu h LYS 280 CO 0.00 0.42 -0.70 0.28 -2.27 0.00 0.00 179.45 177.18 1qwu h VAL 281 N 0.07 1.29 -0.69 2.00 2.07 -1.55 -3.37 116.25 116.07 1qwu h VAL 281 Ca 0.01 -2.24 0.07 0.00 0.82 0.00 0.00 66.70 65.36 1qwu h VAL 281 Cb 0.65 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 1qwu h VAL 281 CO 0.05 0.44 0.46 0.00 0.02 0.00 0.00 177.57 178.53 1qwu n GLN 284 N -4.48 0.26 -0.38 0.00 6.02 -0.38 -1.98 117.38 116.44 1qwu n GLN 284 Ca 0.03 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 57.22 1qwu n GLN 284 Cb 0.27 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.26 1qwu n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1qwu n PHE 285 N -1.25 0.69 -3.56 1.08 3.72 0.95 -4.14 117.46 114.94 1qwu n PHE 285 Ca 0.08 -0.99 -0.41 0.00 -0.05 0.00 0.00 57.45 56.08 1qwu n PHE 285 Cb 0.12 -0.29 -0.07 0.00 -0.94 0.00 0.00 39.48 38.30 1qwu n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qwu s ASP 286 N -2.27 5.80 0.00 4.37 -1.08 -0.84 -4.94 116.67 117.72 1qwu s ASP 286 Ca 0.40 -2.51 0.13 0.00 -0.52 0.00 0.00 52.55 50.05 1qwu s ASP 286 Cb 0.33 -2.00 0.78 0.00 -1.46 0.00 0.00 42.92 40.57 1qwu s ASP 286 CO 0.06 -0.53 1.21 0.49 0.52 0.00 0.00 175.17 176.92 1qwu n PHE 287 N 4.08 0.00 1.43 -5.34 3.01 -1.26 -1.74 117.46 117.64 1qwu n PHE 287 Ca 0.04 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.64 1qwu n PHE 287 Cb 0.41 0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.43 1qwu n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1qwu n LYS 288 N -0.96 1.00 -1.30 -1.08 4.81 -1.26 -4.19 118.16 115.19 1qwu n LYS 288 Ca 0.10 -0.47 -0.27 0.00 -0.87 0.00 0.00 58.31 56.79 1qwu n LYS 288 Cb 0.05 -1.49 0.12 0.00 0.02 0.00 0.00 35.03 33.73 1qwu n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qwu n ARG 289 N -0.58 2.52 0.00 1.64 1.74 -0.71 -4.54 116.66 116.72 1qwu n ARG 289 Ca 0.16 -3.25 0.11 0.00 -0.77 0.00 0.00 57.85 54.10 1qwu n ARG 289 Cb 0.30 -2.20 0.12 0.00 -1.02 0.00 0.00 32.46 29.65 1qwu n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1qwu n MET 290 N -1.01 0.02 0.00 5.56 2.81 -1.26 -4.32 117.12 118.92 1qwu n MET 290 Ca 0.58 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 1qwu n MET 290 Cb 1.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.09 1qwu n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qwu n GLY 291 N 1.50 3.68 0.32 3.03 0.00 -1.24 -4.99 105.19 107.49 1qwu n GLY 291 Ca 0.05 -0.62 0.20 0.00 0.00 0.00 0.00 46.02 45.65 1qwu n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qwu h SER 292 N 0.00 0.00 -0.02 1.61 4.64 -1.90 -0.95 113.55 116.93 1qwu h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qwu h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qwu h SER 292 CO 0.00 0.01 -0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1qwu n PHE 293 N -3.23 0.00 -1.44 4.77 3.01 -1.26 -4.95 117.46 114.36 1qwu n PHE 293 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.39 1qwu n PHE 293 Cb 0.12 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1qwu n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qwu n GLY 294 N 1.23 0.58 3.37 1.37 0.00 -0.36 -5.03 105.19 106.34 1qwu n GLY 294 Ca 0.17 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 1qwu n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qwu s LEU 295 N -1.25 2.48 0.31 0.99 1.43 -1.26 -5.05 118.68 116.32 1qwu s LEU 295 Ca 0.00 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 1qwu s LEU 295 Cb 0.00 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1qwu s LEU 295 CO 0.00 -0.02 0.58 -0.94 0.23 0.00 0.00 176.35 176.20 1qwu s SER 296 N -2.88 0.21 -0.28 2.29 1.04 -1.26 -3.63 113.70 109.18 1qwu s SER 296 Ca 0.19 -1.11 -0.14 0.00 0.48 0.00 0.00 55.95 55.37 1qwu s SER 296 Cb -0.05 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1qwu s SER 296 CO 0.08 -1.35 0.33 0.00 0.98 0.00 0.00 173.24 173.28 1qwu h PRO 298 N 8.24 0.00 -0.05 0.00 0.13 -1.97 -1.81 132.00 136.54 1qwu h PRO 298 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1qwu h PRO 298 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qwu h PRO 298 CO 0.63 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.31 1qwu n TRP 299 N -2.74 0.06 -0.92 1.56 8.01 -1.26 -4.91 117.44 117.24 1qwu n TRP 299 Ca -0.01 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 1qwu n TRP 299 Cb 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1qwu n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1qwu n LYS 300 N -0.45 -0.71 -4.08 -0.99 5.02 -0.68 -4.98 118.16 111.28 1qwu n LYS 300 Ca 0.09 0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 56.23 1qwu n LYS 300 Cb 0.09 -3.87 -0.15 0.00 -0.02 0.00 0.00 35.03 31.07 1qwu n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qwu s VAL 301 N -1.78 2.20 0.61 -0.18 1.01 -1.26 -5.06 120.40 115.93 1qwu s VAL 301 Ca 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 1qwu s VAL 301 Cb 0.00 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1qwu s VAL 301 CO 0.00 0.32 0.95 -2.16 0.00 0.00 0.00 175.10 174.21 1qwu s PRO 302 N 1.23 3.11 0.65 2.72 0.04 -1.26 -4.50 135.00 136.99 1qwu s PRO 302 Ca -0.00 0.27 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 1qwu s PRO 302 Cb -0.16 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1qwu s PRO 302 CO -0.09 -0.69 1.05 -1.25 0.04 0.00 0.00 177.00 176.06 1qwu s PRO 303 N -5.08 3.20 -0.03 0.56 0.04 -1.26 -4.74 135.00 127.69 1qwu s PRO 303 Ca 0.54 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1qwu s PRO 303 Cb -0.11 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1qwu s PRO 303 CO 0.48 -0.89 -0.14 1.03 0.04 0.00 0.00 177.00 177.52 1qwu s ARG 304 N -4.81 1.36 0.26 4.56 0.52 -1.26 -4.82 118.95 114.76 1qwu s ARG 304 Ca 0.59 -0.50 -0.31 0.00 -0.52 0.00 0.00 55.73 54.99 1qwu s ARG 304 Cb -0.14 -1.25 -0.13 0.00 0.52 0.00 0.00 34.95 33.96 1qwu s ARG 304 CO 0.50 0.24 1.36 2.41 0.02 0.00 0.00 175.30 179.82 1qwu n THR 305 N 3.03 1.19 -2.70 0.02 -1.04 -1.26 -4.92 114.28 108.60 1qwu n THR 305 Ca -0.17 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.05 61.14 1qwu n THR 305 Cb 0.54 -1.44 -0.05 0.00 -1.82 0.00 0.00 70.33 67.56 1qwu n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qwu s ILE 306 N -0.30 4.10 0.30 12.58 -1.09 -1.26 -4.98 121.20 130.54 1qwu s ILE 306 Ca 0.66 1.99 0.03 0.00 -2.23 0.00 0.00 60.65 61.09 1qwu s ILE 306 Cb -0.65 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 35.94 1qwu s ILE 306 CO 0.52 0.42 0.27 -0.94 -1.23 0.00 0.00 174.94 173.99 1qwu s SER 307 N -0.77 1.13 0.46 3.58 1.04 -1.26 -4.99 113.70 112.89 1qwu s SER 307 Ca 0.43 -1.60 0.22 0.00 0.48 0.00 0.00 55.95 55.48 1qwu s SER 307 Cb -0.26 0.53 1.11 0.00 0.10 0.00 0.00 66.02 67.49 1qwu s SER 307 CO 0.33 -1.04 1.94 0.44 0.98 0.00 0.00 173.24 175.89 1qwu h ASP 308 N 2.26 0.00 1.57 7.02 3.32 -2.00 -0.99 116.42 127.60 1qwu h ASP 308 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1qwu h ASP 308 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1qwu h ASP 308 CO 0.41 0.22 -0.18 1.56 -1.72 0.00 0.00 179.24 179.53 1qwu h GLN 309 N 0.00 0.00 0.00 3.56 7.50 -1.99 -3.37 115.11 120.80 1qwu h GLN 309 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1qwu h GLN 309 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1qwu h GLN 309 CO 0.03 0.00 0.00 0.27 -1.50 0.00 0.00 178.83 177.63 1qwu n ASN 310 N -2.64 0.40 -0.05 1.46 0.23 -1.04 -4.78 115.26 108.84 1qwu n ASN 310 Ca 0.04 -0.70 0.06 0.00 -0.53 0.00 0.00 54.58 53.45 1qwu n ASN 310 Cb 0.49 0.42 0.43 0.00 -2.08 0.00 0.00 39.78 39.03 1qwu n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1qwu h VAL 311 N 0.09 1.05 -0.30 3.53 3.04 -1.35 0.67 116.25 122.97 1qwu h VAL 311 Ca 0.00 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.43 1qwu h VAL 311 Cb 0.04 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1qwu h VAL 311 CO 0.00 0.10 -0.07 0.00 -1.01 0.00 0.00 177.57 176.59 1qwu h ALA 312 N 1.71 0.42 -0.23 3.17 0.00 -1.85 0.20 119.26 122.67 1qwu h ALA 312 Ca 0.21 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1qwu h ALA 312 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qwu h ALA 312 CO -0.05 0.24 -0.58 0.00 0.00 0.00 0.00 179.25 178.86 1qwu h ALA 313 N 0.80 0.54 -0.36 0.00 0.00 -1.77 -1.44 119.26 117.02 1qwu h ALA 313 Ca 0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1qwu h ALA 313 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1qwu h ALA 313 CO 0.03 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 1qwu h ARG 314 N 0.56 0.68 -0.63 0.00 2.47 -0.80 -2.55 114.38 114.11 1qwu h ARG 314 Ca 0.00 -0.25 -0.04 0.00 -1.26 0.00 0.00 59.98 58.44 1qwu h ARG 314 Cb 1.16 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 1qwu h ARG 314 CO 0.12 0.82 0.24 0.77 0.56 0.00 0.00 179.97 182.48 1qwu h SER 315 N 0.48 0.85 -0.23 7.04 0.02 -0.56 -1.39 113.55 119.75 1qwu h SER 315 Ca 0.09 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1qwu h SER 315 Cb 0.56 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1qwu h SER 315 CO 0.03 0.77 -0.01 0.44 -1.14 0.00 0.00 176.83 176.92 1qwu h ASP 316 N 0.91 -0.11 -0.23 3.07 3.45 -1.06 0.24 116.42 122.69 1qwu h ASP 316 Ca 0.21 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 1qwu h ASP 316 Cb 0.20 0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1qwu h ASP 316 CO -0.02 -0.02 0.09 -0.07 -1.57 0.00 0.00 179.24 177.64 1qwu h LEU 317 N 0.06 0.31 -0.02 1.55 3.38 -1.08 -2.45 115.31 117.07 1qwu h LEU 317 Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qwu h LEU 317 Cb 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1qwu h LEU 317 CO -0.19 0.40 -0.00 0.25 0.09 0.00 0.00 178.44 178.99 1qwu h LEU 318 N 0.21 0.03 -1.70 1.67 5.85 -1.02 -2.32 115.31 118.04 1qwu h LEU 318 Ca 0.07 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1qwu h LEU 318 Cb 0.19 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1qwu h LEU 318 CO -0.01 0.34 0.24 0.58 -0.34 0.00 0.00 178.44 179.26 1qwu h VAL 319 N -0.28 1.04 -0.47 1.05 2.07 -0.59 -0.88 116.25 118.19 1qwu h VAL 319 Ca 0.01 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 1qwu h VAL 319 Cb 0.33 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1qwu h VAL 319 CO 0.00 0.07 -0.22 -0.78 0.02 0.00 0.00 177.57 176.66 1qwu h ASP 320 N 0.40 1.00 -0.34 0.57 1.82 -1.13 -0.18 116.42 118.56 1qwu h ASP 320 Ca 0.15 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 1qwu h ASP 320 Cb 0.09 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1qwu h ASP 320 CO -0.03 1.17 0.16 1.56 -1.61 0.00 0.00 179.24 180.48 1qwu h GLN 321 N 0.84 0.49 -0.42 0.28 1.08 -0.80 -1.79 115.11 114.79 1qwu h GLN 321 Ca 0.11 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1qwu h GLN 321 Cb 0.79 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1qwu h GLN 321 CO 0.07 0.45 0.22 -1.49 -0.95 0.00 0.00 178.83 177.13 1qwu h TRP 322 N 0.41 0.41 -0.12 2.96 6.55 -0.89 -0.12 115.95 125.15 1qwu h TRP 322 Ca 0.12 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.89 1qwu h TRP 322 Cb 0.13 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 1qwu h TRP 322 CO -0.01 0.22 -0.29 0.87 -1.05 0.00 0.00 178.44 178.18 1qwu h LYS 323 N 0.45 0.22 -0.12 0.49 1.57 -0.91 0.11 116.57 118.37 1qwu h LYS 323 Ca 0.17 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1qwu h LYS 323 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1qwu h LYS 323 CO -0.11 0.50 -0.02 0.87 -0.57 0.00 0.00 179.45 180.12 1qwu h LYS 324 N 0.20 0.23 -0.99 3.15 1.57 -0.76 -2.74 116.57 117.23 1qwu h LYS 324 Ca 0.03 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1qwu h LYS 324 Cb 0.62 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1qwu h LYS 324 CO 0.04 0.51 0.65 -0.22 -0.57 0.00 0.00 179.45 179.86 1qwu h LYS 325 N -0.07 1.18 0.00 3.15 3.64 -0.58 -1.48 116.57 122.40 1qwu h LYS 325 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1qwu h LYS 325 Cb 0.42 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1qwu h LYS 325 CO 0.01 0.78 -0.03 0.00 -2.27 0.00 0.00 179.45 177.94 1qwu h ALA 326 N 1.44 1.54 0.00 5.00 0.00 -0.59 -2.05 119.26 124.61 1qwu h ALA 326 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1qwu h ALA 326 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qwu h ALA 326 CO -0.14 0.04 0.00 0.93 0.00 0.00 0.00 179.25 180.08 1qwu h GLU 327 N 0.00 0.00 -0.00 0.00 4.39 -0.97 -2.43 114.58 115.57 1qwu h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qwu h GLU 327 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1qwu h GLU 327 CO 0.00 0.00 -0.12 1.28 -1.16 0.00 0.00 179.01 179.02 1qwu n LEU 328 N -3.01 0.44 -4.52 1.33 4.77 -0.77 -4.89 117.00 110.36 1qwu n LEU 328 Ca -0.01 0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 1qwu n LEU 328 Cb 0.18 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1qwu n LEU 328 CO 0.23 0.08 -0.31 -0.31 -1.33 0.00 0.00 177.39 175.75 1qwu s TYR 329 N -2.52 2.21 -0.33 -1.77 1.51 -0.91 -4.43 117.35 111.12 1qwu s TYR 329 Ca 0.28 -0.75 0.23 0.00 -1.01 0.00 0.00 57.07 55.82 1qwu s TYR 329 Cb 0.20 -1.44 -0.07 0.00 -0.11 0.00 0.00 41.96 40.54 1qwu s TYR 329 CO 0.48 0.29 0.89 0.54 -1.11 0.00 0.00 175.55 176.65 1qwu n ARG 330 N -0.78 0.50 -3.71 -0.62 1.74 -1.26 -4.99 116.66 107.54 1qwu n ARG 330 Ca -0.04 -0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 1qwu n ARG 330 Cb 0.66 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1qwu n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qwu s THR 331 N -3.34 1.68 -0.38 0.55 -4.23 -1.26 -4.70 115.64 103.97 1qwu s THR 331 Ca -0.01 -1.39 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1qwu s THR 331 Cb 0.13 -2.07 0.66 0.00 1.34 0.00 0.00 72.50 72.56 1qwu s THR 331 CO 0.83 0.00 1.55 -0.46 -0.54 0.00 0.00 174.62 176.00 1qwu n ASN 332 N -1.90 4.78 -4.28 3.99 6.94 -1.26 -4.82 115.26 118.71 1qwu n ASN 332 Ca 0.02 -2.82 -0.35 0.00 -0.02 0.00 0.00 54.58 51.41 1qwu n ASN 332 Cb 0.64 -0.67 -0.14 0.00 -2.36 0.00 0.00 39.78 37.25 1qwu n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qwu s VAL 333 N -2.48 3.15 -0.14 3.53 1.01 -1.26 -0.47 120.40 123.74 1qwu s VAL 333 Ca 0.45 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1qwu s VAL 333 Cb 0.35 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1qwu s VAL 333 CO 0.13 0.44 -0.07 -0.22 0.00 0.00 0.00 175.10 175.37 1qwu s LEU 334 N 1.44 3.04 -0.23 3.92 2.96 0.67 -4.97 118.68 125.52 1qwu s LEU 334 Ca 0.06 -0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 1qwu s LEU 334 Cb -0.14 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1qwu s LEU 334 CO -0.05 0.17 0.28 -0.22 -1.32 0.00 0.00 176.35 175.21 1qwu s LEU 335 N 0.32 4.12 -0.43 -0.68 2.96 -1.26 -0.99 118.68 122.71 1qwu s LEU 335 Ca -0.06 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1qwu s LEU 335 Cb -0.15 -2.30 0.12 0.00 0.50 0.00 0.00 46.19 44.36 1qwu s LEU 335 CO 0.04 -0.02 0.19 -0.63 -1.32 0.00 0.00 176.35 174.61 1qwu s ILE 336 N 1.30 1.82 0.51 6.68 -1.09 0.14 -4.97 121.20 125.58 1qwu s ILE 336 Ca 0.13 -2.58 -0.22 0.00 -2.23 0.00 0.00 60.65 55.75 1qwu s ILE 336 Cb -0.14 -2.29 -0.06 0.00 -1.58 0.00 0.00 42.46 38.39 1qwu s ILE 336 CO 0.07 -0.79 1.27 -2.84 -1.23 0.00 0.00 174.94 171.42 1qwu s PRO 337 N 0.43 3.43 -0.37 2.79 0.02 -1.26 -0.40 135.00 139.64 1qwu s PRO 337 Ca 0.15 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1qwu s PRO 337 Cb -0.23 -2.32 0.12 0.00 0.02 0.00 0.00 34.50 32.09 1qwu s PRO 337 CO -0.05 -0.89 0.18 -1.17 -0.33 0.00 0.00 177.00 174.75 1qwu s LEU 338 N -3.30 1.85 0.00 -5.54 2.96 0.17 -4.75 118.68 110.07 1qwu s LEU 338 Ca 0.68 -2.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.47 1qwu s LEU 338 Cb -0.35 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.61 1qwu s LEU 338 CO 0.41 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 1qwu n GLY 339 N 4.18 -1.46 0.33 7.98 0.00 -1.26 -1.76 105.19 113.20 1qwu n GLY 339 Ca 0.06 -1.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.04 1qwu n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qwu n ASP 340 N 0.75 -0.16 -4.70 1.61 -0.08 -1.25 -3.15 116.55 109.57 1qwu n ASP 340 Ca 0.00 -1.09 -0.42 0.00 -1.51 0.00 0.00 54.79 51.77 1qwu n ASP 340 Cb 0.00 0.26 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 1qwu n ASP 340 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1qwu s ASN 341 N -1.20 6.46 -1.70 1.67 0.01 -1.26 -1.40 114.94 117.52 1qwu s ASN 341 Ca 0.02 2.73 -0.16 0.00 -0.71 0.00 0.00 52.86 54.74 1qwu s ASN 341 Cb -0.00 -2.58 0.15 0.00 0.41 0.00 0.00 41.25 39.23 1qwu s ASN 341 CO 0.01 -0.95 0.67 0.49 -1.51 0.00 0.00 177.10 175.80 1qwu n PHE 342 N 4.96 -1.60 -2.10 2.20 3.01 0.81 -4.80 117.46 119.94 1qwu n PHE 342 Ca 0.16 0.76 -0.27 0.00 1.01 0.00 0.00 57.45 59.11 1qwu n PHE 342 Cb 0.38 -2.83 0.10 0.00 -0.01 0.00 0.00 39.48 37.12 1qwu n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1qwu s ARG 343 N -6.98 1.73 -1.22 -1.08 1.81 -1.16 -4.42 118.95 107.63 1qwu s ARG 343 Ca 0.64 -0.28 -0.07 0.00 -1.72 0.00 0.00 55.73 54.30 1qwu s ARG 343 Cb -0.35 -2.05 0.01 0.00 -0.45 0.00 0.00 34.95 32.10 1qwu s ARG 343 CO 0.95 -1.62 1.06 1.19 -0.68 0.00 0.00 175.30 176.19 1qwu n PHE 344 N -3.21 -2.53 0.01 -0.53 3.01 -1.26 -4.73 117.46 108.22 1qwu n PHE 344 Ca 0.10 0.92 -0.21 0.00 1.01 0.00 0.00 57.45 59.27 1qwu n PHE 344 Cb 0.60 -4.75 -0.14 0.00 -0.01 0.00 0.00 39.48 35.18 1qwu n PHE 344 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1qwu h LYS 345 N -2.35 0.25 -6.00 -1.08 3.64 -1.89 -3.39 116.57 105.74 1qwu h LYS 345 Ca -0.53 -0.42 -0.65 0.00 -1.27 0.00 0.00 60.65 57.78 1qwu h LYS 345 Cb 1.33 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 33.23 1qwu h LYS 345 CO 0.50 1.20 -0.56 -0.65 -2.27 0.00 0.00 179.45 177.67 1qwu s GLN 346 N -2.47 3.11 0.27 1.90 -0.21 -1.26 -4.23 119.66 116.78 1qwu s GLN 346 Ca -0.19 -0.50 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 1qwu s GLN 346 Cb 0.04 -2.88 0.48 0.00 1.00 0.00 0.00 33.01 31.65 1qwu s GLN 346 CO 0.77 0.63 1.84 -0.91 -2.12 0.00 0.00 175.29 175.51 1qwu h ASN 347 N 3.81 0.91 0.26 5.90 4.21 -1.95 0.15 115.58 128.87 1qwu h ASN 347 Ca -0.48 0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.03 1qwu h ASN 347 Cb 1.18 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1qwu h ASN 347 CO 0.65 0.52 -0.15 0.71 -1.29 0.00 0.00 177.43 177.87 1qwu h THR 348 N 1.01 0.85 -0.18 2.81 1.35 -1.99 -1.51 112.91 115.25 1qwu h THR 348 Ca 0.46 -0.57 -0.11 0.00 -0.55 0.00 0.00 66.41 65.63 1qwu h THR 348 Cb 0.37 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1qwu h THR 348 CO -0.23 0.15 -0.32 -0.08 -0.25 0.00 0.00 175.52 174.78 1qwu h GLU 349 N 0.00 0.54 -0.52 4.72 4.81 -1.13 -1.54 114.58 121.45 1qwu h GLU 349 Ca -0.00 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1qwu h GLU 349 Cb 0.32 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1qwu h GLU 349 CO 0.02 0.94 0.27 -1.49 -0.73 0.00 0.00 179.01 178.02 1qwu h TRP 350 N 0.20 0.49 -0.02 0.92 4.06 -0.61 -1.99 115.95 119.01 1qwu h TRP 350 Ca 0.01 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1qwu h TRP 350 Cb 0.91 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1qwu h TRP 350 CO 0.09 0.24 0.01 -0.44 -3.56 0.00 0.00 178.44 174.78 1qwu h ASP 351 N 0.52 0.02 -0.89 -3.49 3.32 -1.29 -0.56 116.42 114.05 1qwu h ASP 351 Ca 0.23 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1qwu h ASP 351 Cb 0.13 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1qwu h ASP 351 CO -0.16 0.15 0.48 1.62 -1.72 0.00 0.00 179.24 179.61 1qwu h VAL 352 N -0.11 1.26 -0.00 -1.35 3.04 -1.09 0.86 116.25 118.86 1qwu h VAL 352 Ca 0.01 -0.67 -0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1qwu h VAL 352 Cb 0.14 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1qwu h VAL 352 CO -0.00 0.30 -0.01 1.56 -1.01 0.00 0.00 177.57 178.41 1qwu h GLN 353 N 1.26 0.01 -0.15 4.17 1.08 -1.35 -3.15 115.11 116.97 1qwu h GLN 353 Ca 0.31 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.52 1qwu h GLN 353 Cb 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1qwu h GLN 353 CO -0.05 0.61 0.08 -0.09 -0.95 0.00 0.00 178.83 178.43 1qwu h ARG 354 N -0.59 0.17 -0.07 1.46 2.43 -0.87 -2.41 114.38 114.49 1qwu h ARG 354 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qwu h ARG 354 Cb 0.61 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1qwu h ARG 354 CO 0.00 0.11 0.03 0.28 -1.51 0.00 0.00 179.97 178.88 1qwu h VAL 355 N 0.18 1.13 -0.66 0.20 2.07 -0.96 0.14 116.25 118.35 1qwu h VAL 355 Ca 0.06 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1qwu h VAL 355 Cb 0.00 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1qwu h VAL 355 CO -0.04 0.11 0.39 0.78 0.02 0.00 0.00 177.57 178.83 1qwu h ASN 356 N -0.03 0.80 -0.20 0.57 2.35 -1.57 -1.39 115.58 116.11 1qwu h ASN 356 Ca 0.02 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1qwu h ASN 356 Cb 0.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1qwu h ASN 356 CO -0.00 0.64 -0.17 1.88 -1.65 0.00 0.00 177.43 178.13 1qwu h TYR 357 N 0.90 0.68 -0.73 1.19 -1.99 -1.28 -2.00 116.97 113.73 1qwu h TYR 357 Ca 0.23 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 1qwu h TYR 357 Cb -0.00 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.52 1qwu h TYR 357 CO -0.01 0.75 0.29 0.93 -0.00 0.00 0.00 178.16 180.11 1qwu h GLU 358 N 0.56 1.09 -0.67 4.88 5.08 -0.48 0.64 114.58 125.67 1qwu h GLU 358 Ca 0.09 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1qwu h GLU 358 Cb 0.60 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1qwu h GLU 358 CO 0.04 0.89 0.31 0.00 -1.00 0.00 0.00 179.01 179.25 1qwu h ARG 359 N 1.06 0.97 -0.30 2.33 3.08 -0.77 -0.22 114.38 120.53 1qwu h ARG 359 Ca 0.25 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1qwu h ARG 359 Cb 0.21 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1qwu h ARG 359 CO -0.02 0.78 0.08 -0.07 -1.07 0.00 0.00 179.97 179.67 1qwu h LEU 360 N 0.93 0.44 -0.66 3.04 3.38 -0.88 -2.43 115.31 119.13 1qwu h LEU 360 Ca 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1qwu h LEU 360 Cb 0.14 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1qwu h LEU 360 CO -0.03 0.55 0.38 -0.26 0.09 0.00 0.00 178.44 179.17 1qwu h PHE 361 N 0.32 0.89 -0.37 1.13 0.05 -0.64 0.34 116.94 118.66 1qwu h PHE 361 Ca 0.09 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.88 1qwu h PHE 361 Cb 0.27 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 37.91 1qwu h PHE 361 CO 0.01 0.62 0.23 1.49 -0.18 0.00 0.00 178.31 180.49 1qwu h GLU 362 N 0.90 0.46 0.33 1.51 4.81 -0.88 -0.57 114.58 121.14 1qwu h GLU 362 Ca 0.23 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1qwu h GLU 362 Cb 0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1qwu h GLU 362 CO -0.04 0.31 -0.16 1.25 -0.73 0.00 0.00 179.01 179.64 1qwu h HIS 363 N 0.48 -0.41 -0.45 0.92 2.76 -1.21 -2.90 115.15 114.33 1qwu h HIS 363 Ca 0.14 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1qwu h HIS 363 Cb -0.03 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.00 1qwu h HIS 363 CO -0.06 -0.10 0.10 0.82 -1.30 0.00 0.00 177.93 177.40 1qwu h ILE 364 N -0.75 0.78 0.00 6.26 2.04 -0.85 -1.55 117.51 123.44 1qwu h ILE 364 Ca -0.05 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1qwu h ILE 364 Cb 0.50 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1qwu h ILE 364 CO 0.07 0.04 0.00 0.78 0.00 0.00 0.00 178.15 179.05 1qwu h ASN 365 N 0.25 0.00 0.01 1.72 2.35 -1.18 -2.57 115.58 116.15 1qwu h ASN 365 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1qwu h ASN 365 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1qwu h ASN 365 CO -0.27 0.00 -0.34 -1.54 -1.65 0.00 0.00 177.43 173.63 1qwu n SER 366 N -2.95 2.13 -4.29 5.81 3.41 -0.66 -4.67 113.62 112.40 1qwu n SER 366 Ca 0.00 -1.56 -0.45 0.00 -0.26 0.00 0.00 58.87 56.61 1qwu n SER 366 Cb 0.26 0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1qwu n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qwu s GLN 367 N -2.36 3.68 0.39 4.33 -1.52 -0.74 -4.94 119.66 118.50 1qwu s GLN 367 Ca 0.22 -2.78 0.22 0.00 -1.95 0.00 0.00 55.36 51.06 1qwu s GLN 367 Cb 0.19 -4.37 1.27 0.00 -0.22 0.00 0.00 33.01 29.88 1qwu s GLN 367 CO 0.50 -1.26 1.64 0.00 -0.25 0.00 0.00 175.29 175.91 1qwu h ALA 368 N 7.21 2.30 0.00 6.09 0.00 -1.83 0.35 119.26 133.38 1qwu h ALA 368 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1qwu h ALA 368 Cb 0.96 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qwu h ALA 368 CO 0.84 -0.95 0.07 1.12 0.00 0.00 0.00 179.25 180.33 1qwu h HIS 369 N 0.17 0.00 0.00 0.00 2.07 -1.93 0.13 115.15 115.60 1qwu h HIS 369 Ca 0.78 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 58.10 1qwu h HIS 369 Cb 2.11 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 32.06 1qwu h HIS 369 CO -0.01 0.00 -1.13 0.74 -3.07 0.00 0.00 177.93 174.46 1qwu h PHE 370 N 0.00 0.00 -6.23 6.12 0.05 -1.22 -3.48 116.94 112.18 1qwu h PHE 370 Ca 0.00 0.00 -0.45 0.00 3.82 0.00 0.00 57.97 61.34 1qwu h PHE 370 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.09 1qwu h PHE 370 CO 0.00 0.84 -0.82 0.09 -0.18 0.00 0.00 178.31 178.25 1qwu n ASN 371 N -3.19 -2.23 -4.18 2.17 3.02 0.45 -4.88 115.26 106.44 1qwu n ASN 371 Ca -0.05 -0.84 -0.23 0.00 -0.03 0.00 0.00 54.58 53.43 1qwu n ASN 371 Cb 0.91 -3.83 -0.14 0.00 -0.61 0.00 0.00 39.78 36.11 1qwu n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qwu s VAL 372 N -3.59 1.33 -0.25 2.41 1.01 -1.26 -1.35 120.40 118.71 1qwu s VAL 372 Ca 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1qwu s VAL 372 Cb -0.11 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.18 1qwu s VAL 372 CO 0.83 0.19 -0.00 -1.58 0.00 0.00 0.00 175.10 174.54 1qwu s GLN 373 N -0.89 1.28 0.08 2.72 2.00 -0.09 -4.34 119.66 120.41 1qwu s GLN 373 Ca 0.05 -0.98 0.07 0.00 -2.00 0.00 0.00 55.36 52.51 1qwu s GLN 373 Cb -0.08 -2.46 -0.04 0.00 0.80 0.00 0.00 33.01 31.24 1qwu s GLN 373 CO 0.01 -0.70 -0.15 0.00 -0.50 0.00 0.00 175.29 173.95 1qwu s ALA 374 N 1.47 2.76 0.09 1.58 0.00 -1.26 -0.59 121.76 125.81 1qwu s ALA 374 Ca -0.01 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1qwu s ALA 374 Cb -0.18 -0.79 0.08 0.00 0.00 0.00 0.00 23.12 22.23 1qwu s ALA 374 CO -0.10 0.60 0.90 1.14 0.00 0.00 0.00 175.76 178.30 1qwu s GLN 375 N -1.85 1.05 0.46 0.00 0.00 -0.72 -4.90 119.66 113.71 1qwu s GLN 375 Ca 0.18 -0.50 -0.23 0.00 -0.00 0.00 0.00 55.36 54.81 1qwu s GLN 375 Cb -0.11 0.41 -0.08 0.00 0.00 0.00 0.00 33.01 33.24 1qwu s GLN 375 CO 0.09 -0.47 1.14 -0.06 0.00 0.00 0.00 175.29 175.99 1qwu s PHE 376 N -3.26 2.92 0.31 9.60 2.99 -1.26 -1.22 117.98 128.06 1qwu s PHE 376 Ca 0.08 1.55 -0.13 0.00 0.00 0.00 0.00 56.93 58.44 1qwu s PHE 376 Cb -0.01 -3.32 0.02 0.00 0.00 0.00 0.00 43.02 39.70 1qwu s PHE 376 CO -0.03 -1.36 0.60 0.20 -0.00 0.00 0.00 175.22 174.62 1qwu s GLY 377 N -1.44 0.61 0.46 4.36 0.00 -0.29 -4.76 107.32 106.26 1qwu s GLY 377 Ca 0.64 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.53 1qwu s GLY 377 CO 0.33 -0.54 0.45 -0.51 0.00 0.00 0.00 173.10 172.82 1qwu s THR 378 N -3.35 2.42 0.13 0.90 -4.23 -1.26 -4.18 115.64 106.06 1qwu s THR 378 Ca 0.21 -1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 59.25 1qwu s THR 378 Cb -0.03 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 1qwu s THR 378 CO 0.12 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.13 1qwu h LEU 379 N 0.83 0.52 -1.26 4.79 5.85 -1.95 -2.65 115.31 121.44 1qwu h LEU 379 Ca -0.39 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 1qwu h LEU 379 Cb 1.28 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1qwu h LEU 379 CO 0.54 0.54 0.22 -0.61 -0.34 0.00 0.00 178.44 178.79 1qwu h GLN 380 N 0.46 0.73 -0.59 1.25 5.75 -1.96 -1.65 115.11 119.10 1qwu h GLN 380 Ca 0.13 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1qwu h GLN 380 Cb 0.18 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1qwu h GLN 380 CO -0.01 0.59 0.36 0.93 -2.65 0.00 0.00 178.83 178.05 1qwu h GLU 381 N 0.73 0.80 0.54 1.69 5.08 -1.90 0.11 114.58 121.62 1qwu h GLU 381 Ca 0.18 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1qwu h GLU 381 Cb 0.12 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1qwu h GLU 381 CO -0.02 0.57 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.33 1qwu h TYR 382 N 0.80 -0.80 -0.95 4.33 3.20 -1.02 -2.12 116.97 120.41 1qwu h TYR 382 Ca 0.21 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1qwu h TYR 382 Cb -0.03 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 1qwu h TYR 382 CO -0.02 -0.47 0.62 0.74 -1.64 0.00 0.00 178.16 177.38 1qwu h PHE 383 N -0.79 1.16 -0.84 -3.82 0.05 -1.13 -0.93 116.94 110.64 1qwu h PHE 383 Ca -0.07 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.73 1qwu h PHE 383 Cb 0.63 -0.38 -0.04 0.00 2.00 0.00 0.00 35.95 38.16 1qwu h PHE 383 CO -0.08 0.66 0.45 -0.44 -0.18 0.00 0.00 178.31 178.72 1qwu h ASP 384 N 1.19 1.06 -0.48 2.17 3.32 -0.68 -1.40 116.42 121.61 1qwu h ASP 384 Ca 0.38 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 1qwu h ASP 384 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1qwu h ASP 384 CO -0.13 0.86 -0.17 0.00 -1.72 0.00 0.00 179.24 178.09 1qwu h ALA 385 N 1.24 0.76 -0.43 3.45 0.00 -0.80 -1.04 119.26 122.44 1qwu h ALA 385 Ca 0.29 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1qwu h ALA 385 Cb 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1qwu h ALA 385 CO -0.04 0.67 0.24 0.28 0.00 0.00 0.00 179.25 180.39 1qwu h VAL 386 N 0.86 1.01 0.00 0.00 2.07 -0.61 -0.48 116.25 119.10 1qwu h VAL 386 Ca 0.12 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1qwu h VAL 386 Cb 0.73 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qwu h VAL 386 CO 0.06 0.09 -0.57 0.45 0.02 0.00 0.00 177.57 177.61 1qwu h HIS 387 N 0.48 0.00 -0.68 1.57 -0.00 -1.08 0.13 115.15 115.57 1qwu h HIS 387 Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1qwu h HIS 387 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1qwu h HIS 387 CO -0.08 0.57 0.20 1.96 -0.00 0.00 0.00 177.93 180.58 1qwu h GLN 388 N 0.00 1.06 -0.57 2.45 4.20 -0.58 0.29 115.11 121.96 1qwu h GLN 388 Ca -0.01 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 1qwu h GLN 388 Cb 1.01 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1qwu h GLN 388 CO 0.07 0.92 0.08 0.00 -0.67 0.00 0.00 178.83 179.23 1qwu h ALA 389 N 1.09 0.76 -0.03 3.87 0.00 -0.32 -1.50 119.26 123.13 1qwu h ALA 389 Ca 0.22 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qwu h ALA 389 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1qwu h ALA 389 CO -0.01 0.52 -0.11 1.49 0.00 0.00 0.00 179.25 181.15 1qwu h GLU 390 N 0.85 -0.16 0.00 0.00 4.81 -0.52 -1.64 114.58 117.92 1qwu h GLU 390 Ca 0.17 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1qwu h GLU 390 Cb 0.44 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1qwu h GLU 390 CO 0.01 -0.11 -0.14 0.00 -0.73 0.00 0.00 179.01 178.05 1qwu h ARG 391 N -0.17 0.00 0.00 1.92 3.08 -0.18 -0.55 114.38 118.48 1qwu h ARG 391 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1qwu h ARG 391 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1qwu h ARG 391 CO -0.13 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1qwu n ALA 392 N -2.44 2.50 -1.26 0.04 0.00 -0.59 -4.85 120.51 113.91 1qwu n ALA 392 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 1qwu n ALA 392 Cb 0.22 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1qwu n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qwu n GLY 393 N 0.67 0.51 0.34 0.00 0.00 -0.21 -4.94 105.19 101.55 1qwu n GLY 393 Ca 0.18 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1qwu n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwu n GLN 394 N -2.60 1.08 -3.49 1.61 10.64 -0.69 -4.93 117.38 119.01 1qwu n GLN 394 Ca -0.03 -0.68 -0.15 0.00 -1.83 0.00 0.00 57.00 54.32 1qwu n GLN 394 Cb 0.17 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 28.02 1qwu n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1qwu s ALA 395 N -2.38 -1.72 -0.01 2.61 0.00 -1.26 -4.85 121.76 114.15 1qwu s ALA 395 Ca 0.27 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1qwu s ALA 395 Cb 0.19 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1qwu s ALA 395 CO 0.48 -0.53 -0.09 -1.83 0.00 0.00 0.00 175.76 173.80 1qwu s GLU 396 N -2.20 0.72 -0.03 0.00 -1.05 -1.26 -4.68 118.70 110.20 1qwu s GLU 396 Ca -0.05 -0.30 -0.01 0.00 -0.15 0.00 0.00 54.97 54.45 1qwu s GLU 396 Cb -0.00 -0.69 -0.04 0.00 -0.44 0.00 0.00 34.13 32.96 1qwu s GLU 396 CO 0.00 0.18 0.07 -0.06 0.95 0.00 0.00 175.26 176.40 1qwu s PHE 397 N -0.16 3.28 0.69 4.83 0.40 -1.26 -5.08 117.98 120.68 1qwu s PHE 397 Ca 0.03 0.22 -0.13 0.00 -0.60 0.00 0.00 56.93 56.45 1qwu s PHE 397 Cb -0.04 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1qwu s PHE 397 CO -0.00 0.55 1.09 -1.25 0.70 0.00 0.00 175.22 176.30 1qwu s PRO 398 N -1.53 2.74 0.14 0.24 0.04 -1.26 -4.81 135.00 130.56 1qwu s PRO 398 Ca 0.20 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1qwu s PRO 398 Cb -0.12 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1qwu s PRO 398 CO 0.11 -1.27 0.28 0.95 0.04 0.00 0.00 177.00 177.11 1qwu s THR 399 N -2.67 5.32 -0.05 1.26 -4.23 -1.26 -1.49 115.64 112.52 1qwu s THR 399 Ca 0.63 -0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 60.38 1qwu s THR 399 Cb -0.17 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 69.97 1qwu s THR 399 CO 0.48 -0.06 0.36 -0.22 -0.54 0.00 0.00 174.62 174.64 1qwu s LEU 400 N -3.12 0.66 0.04 4.79 0.20 -0.61 -1.42 118.68 119.22 1qwu s LEU 400 Ca 0.35 0.30 -0.01 0.00 0.69 0.00 0.00 54.13 55.46 1qwu s LEU 400 Cb -0.11 1.38 -0.03 0.00 -0.43 0.00 0.00 46.19 46.99 1qwu s LEU 400 CO 0.28 -0.38 -0.02 -0.94 -0.29 0.00 0.00 176.35 175.00 1qwu s SER 401 N -0.94 0.36 0.00 3.68 1.04 -0.77 -1.01 113.70 116.06 1qwu s SER 401 Ca -0.10 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1qwu s SER 401 Cb -0.04 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1qwu s SER 401 CO 0.04 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1qwu n GLY 402 N 0.78 0.66 2.65 7.32 0.00 -1.26 -1.55 105.19 113.80 1qwu n GLY 402 Ca -0.19 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 1qwu n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qwu n ASP 403 N 0.87 1.92 -2.89 1.61 5.75 -1.26 -4.46 116.55 118.09 1qwu n ASP 403 Ca 0.00 -2.68 -0.22 0.00 -0.01 0.00 0.00 54.79 51.88 1qwu n ASP 403 Cb 0.00 0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 40.66 1qwu n ASP 403 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1qwu n PHE 404 N -0.81 2.43 -4.38 2.11 3.01 -0.22 -4.91 117.46 114.70 1qwu n PHE 404 Ca -0.09 -3.62 -0.22 0.00 1.01 0.00 0.00 57.45 54.53 1qwu n PHE 404 Cb 0.48 -0.38 -0.13 0.00 -0.01 0.00 0.00 39.48 39.44 1qwu n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qwu s PHE 405 N -3.14 1.44 -0.18 1.38 0.40 -1.26 -2.47 117.98 114.15 1qwu s PHE 405 Ca 0.43 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 56.28 1qwu s PHE 405 Cb 0.35 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 1qwu s PHE 405 CO -0.11 0.08 0.14 0.99 0.70 0.00 0.00 175.22 177.02 1qwu s THR 406 N -0.96 5.42 0.41 0.64 2.01 -1.26 -5.09 115.64 116.82 1qwu s THR 406 Ca 0.03 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.98 1qwu s THR 406 Cb -0.09 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1qwu s THR 406 CO 0.02 0.47 1.32 -0.47 -0.69 0.00 0.00 174.62 175.27 1qwu s TYR 407 N 0.11 2.76 -0.04 4.92 5.04 -1.26 -4.80 117.35 124.08 1qwu s TYR 407 Ca 0.10 1.39 -0.01 0.00 -2.44 0.00 0.00 57.07 56.11 1qwu s TYR 407 Cb -0.11 -3.70 0.03 0.00 0.35 0.00 0.00 41.96 38.53 1qwu s TYR 407 CO -0.01 -2.20 0.07 0.00 -1.34 0.00 0.00 175.55 172.08 1qwu s ALA 408 N -1.26 0.03 -0.35 3.97 0.00 -1.26 -0.56 121.76 122.32 1qwu s ALA 408 Ca 0.58 0.38 0.23 0.00 0.00 0.00 0.00 51.96 53.14 1qwu s ALA 408 Cb -0.39 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.38 1qwu s ALA 408 CO 0.49 -0.25 1.09 -0.40 0.00 0.00 0.00 175.76 176.70 1qwu n ASP 409 N 4.55 0.79 -3.54 0.00 5.75 -1.22 -2.83 116.55 120.04 1qwu n ASP 409 Ca -0.20 0.23 -0.11 0.00 -0.01 0.00 0.00 54.79 54.71 1qwu n ASP 409 Cb 0.50 0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 40.99 1qwu n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qwu s ARG 410 N -3.31 0.74 0.00 0.11 1.70 -1.26 -4.79 118.95 112.14 1qwu s ARG 410 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1qwu s ARG 410 Cb 0.11 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1qwu s ARG 410 CO 0.78 -0.27 0.00 -1.13 -1.08 0.00 0.00 175.30 173.60 1qwu n SER 411 N 0.39 0.00 -1.17 -2.89 3.41 -1.26 -0.92 113.62 111.18 1qwu n SER 411 Ca -0.11 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.58 1qwu n SER 411 Cb 0.59 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.83 1qwu n SER 411 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qwu n ASP 412 N 1.73 4.20 -4.58 4.04 5.75 -1.26 -4.87 116.55 121.57 1qwu n ASP 412 Ca 0.00 -2.65 -0.42 0.00 -0.01 0.00 0.00 54.79 51.71 1qwu n ASP 412 Cb 0.00 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 39.57 1qwu n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1qwu s ASN 413 N -1.31 6.75 -0.06 -1.12 0.02 -0.09 -4.96 114.94 114.17 1qwu s ASN 413 Ca 0.43 -2.31 -0.20 0.00 -1.02 0.00 0.00 52.86 49.75 1qwu s ASN 413 Cb 0.30 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.95 1qwu s ASN 413 CO 0.16 -1.27 0.58 -0.31 0.02 0.00 0.00 177.10 176.28 1qwu s TYR 414 N 4.52 3.59 -1.41 2.20 1.51 -1.26 -3.45 117.35 123.05 1qwu s TYR 414 Ca 0.54 1.10 -0.07 0.00 -1.01 0.00 0.00 57.07 57.63 1qwu s TYR 414 Cb 0.03 -2.64 0.06 0.00 -0.11 0.00 0.00 41.96 39.30 1qwu s TYR 414 CO 0.06 0.22 2.56 0.91 -1.11 0.00 0.00 175.55 178.19 1qwu n TRP 415 N 3.34 2.54 0.89 2.71 7.02 0.27 -2.84 117.44 131.37 1qwu n TRP 415 Ca -0.05 -2.90 0.10 0.00 -1.02 0.00 0.00 57.50 53.62 1qwu n TRP 415 Cb 0.51 -2.03 0.03 0.00 -2.42 0.00 0.00 31.31 27.40 1qwu n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1qwu n SER 416 N 2.27 2.23 -0.16 -0.99 3.41 -1.22 -4.43 113.62 114.73 1qwu n SER 416 Ca 0.67 -1.61 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 1qwu n SER 416 Cb 0.24 0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1qwu n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1qwu h GLY 417 N 4.25 1.03 1.66 5.00 0.00 -1.39 -2.90 103.07 110.72 1qwu h GLY 417 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1qwu h GLY 417 CO 0.00 0.74 0.00 1.58 0.00 0.00 0.00 176.54 178.86 1qwu n TYR 418 N -4.15 0.00 0.49 5.60 0.18 -1.07 -1.06 117.16 117.15 1qwu n TYR 418 Ca 0.02 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.90 1qwu n TYR 418 Cb 0.39 -0.33 0.43 0.00 -0.38 0.00 0.00 39.34 39.45 1qwu n TYR 418 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1qwu n TYR 419 N -1.33 0.52 0.00 -3.48 0.53 -1.09 -3.95 117.16 108.35 1qwu n TYR 419 Ca 0.05 0.19 0.00 0.00 -1.02 0.00 0.00 57.90 57.12 1qwu n TYR 419 Cb 0.10 -0.81 0.00 0.00 -1.03 0.00 0.00 39.34 37.60 1qwu n TYR 419 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 1qwu n THR 420 N -1.96 0.00 -1.52 -0.72 -1.04 -0.22 -2.33 114.28 106.48 1qwu n THR 420 Ca 0.03 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.53 1qwu n THR 420 Cb 0.24 -0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 68.20 1qwu n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qwu n SER 421 N -1.46 0.43 -3.54 8.00 7.64 -0.85 -2.45 113.62 121.41 1qwu n SER 421 Ca 0.00 1.14 -0.26 0.00 1.01 0.00 0.00 58.87 60.77 1qwu n SER 421 Cb 0.28 -1.08 0.05 0.00 -1.01 0.00 0.00 64.21 62.46 1qwu n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qwu n ARG 422 N 1.53 -1.67 0.28 1.43 3.00 -1.26 -4.07 116.66 115.90 1qwu n ARG 422 Ca 0.17 0.60 0.15 0.00 -0.01 0.00 0.00 57.85 58.76 1qwu n ARG 422 Cb 0.20 -4.73 0.83 0.00 0.00 0.00 0.00 32.46 28.75 1qwu n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1qwu h PRO 423 N -1.62 0.00 -0.32 5.56 0.13 -1.80 -2.72 132.00 131.23 1qwu h PRO 423 Ca -0.65 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.51 1qwu h PRO 423 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1qwu h PRO 423 CO 0.47 0.07 0.15 -0.92 -0.23 0.00 0.00 178.00 177.54 1qwu h TYR 424 N 0.00 0.27 0.00 1.56 3.20 -1.89 -0.96 116.97 119.15 1qwu h TYR 424 Ca -0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1qwu h TYR 424 Cb 0.25 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1qwu h TYR 424 CO 0.00 0.14 -0.32 0.45 -1.64 0.00 0.00 178.16 176.79 1qwu h HIS 425 N 0.31 0.00 -0.28 -3.82 3.86 -1.86 -0.16 115.15 113.19 1qwu h HIS 425 Ca 0.14 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 1qwu h HIS 425 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1qwu h HIS 425 CO -0.11 0.32 -0.39 0.87 0.86 0.00 0.00 177.93 179.48 1qwu h LYS 426 N 0.00 0.67 -0.14 2.45 1.57 -1.27 -0.60 116.57 119.26 1qwu h LYS 426 Ca -0.00 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.26 1qwu h LYS 426 Cb 1.02 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1qwu h LYS 426 CO 0.04 0.95 -0.57 -0.09 -0.57 0.00 0.00 179.45 179.21 1qwu h ARG 427 N 0.55 0.64 -0.71 3.15 9.65 -0.82 -3.04 114.38 123.80 1qwu h ARG 427 Ca 0.05 -0.50 0.08 0.00 -1.10 0.00 0.00 59.98 58.51 1qwu h ARG 427 Cb 0.92 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.55 1qwu h ARG 427 CO 0.08 1.12 0.47 1.98 2.80 0.00 0.00 179.97 186.42 1qwu h MET 428 N 0.31 0.65 -0.64 0.20 4.05 -0.87 -1.82 114.93 116.80 1qwu h MET 428 Ca -0.03 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1qwu h MET 428 Cb 1.20 -0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 31.79 1qwu h MET 428 CO 0.12 0.43 0.32 0.22 0.23 0.00 0.00 176.91 178.23 1qwu h ASP 429 N 0.67 0.43 0.30 1.39 1.82 -0.98 -0.38 116.42 119.66 1qwu h ASP 429 Ca 0.32 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.87 1qwu h ASP 429 Cb 0.37 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1qwu h ASP 429 CO -0.11 0.27 -0.56 0.03 -1.61 0.00 0.00 179.24 177.26 1qwu h ARG 430 N 0.57 0.27 -0.09 0.28 2.47 -1.37 0.04 114.38 116.55 1qwu h ARG 430 Ca 0.30 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1qwu h ARG 430 Cb 0.27 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1qwu h ARG 430 CO -0.23 0.75 -0.02 0.28 0.56 0.00 0.00 179.97 181.32 1qwu h VAL 431 N 0.21 1.29 -0.56 2.04 2.07 -0.98 -2.71 116.25 117.60 1qwu h VAL 431 Ca 0.00 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 1qwu h VAL 431 Cb 1.04 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1qwu h VAL 431 CO 0.09 0.26 0.04 0.25 0.02 0.00 0.00 177.57 178.23 1qwu h LEU 432 N -0.16 0.89 -0.65 2.57 5.85 -0.99 -1.56 115.31 121.27 1qwu h LEU 432 Ca 0.02 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.66 1qwu h LEU 432 Cb 0.42 -0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.10 1qwu h LEU 432 CO 0.01 0.93 -0.02 -0.03 -0.34 0.00 0.00 178.44 178.99 1qwu h MET 433 N 0.87 0.10 -0.28 1.25 4.05 -0.92 0.12 114.93 120.11 1qwu h MET 433 Ca 0.17 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.41 1qwu h MET 433 Cb 0.45 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1qwu h MET 433 CO 0.02 0.06 -0.50 1.25 0.23 0.00 0.00 176.91 177.97 1qwu h HIS 434 N 0.10 1.05 -0.78 1.39 -0.00 -1.12 -2.31 115.15 113.47 1qwu h HIS 434 Ca 0.34 -0.37 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 1qwu h HIS 434 Cb 0.56 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1qwu h HIS 434 CO -0.40 1.19 0.30 1.88 -0.00 0.00 0.00 177.93 180.90 1qwu h TYR 435 N 0.61 1.20 -0.06 5.26 -1.99 -0.65 0.15 116.97 121.49 1qwu h TYR 435 Ca 0.02 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1qwu h TYR 435 Cb 1.11 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 1qwu h TYR 435 CO 0.08 0.92 0.03 0.28 -0.00 0.00 0.00 178.16 179.46 1qwu h VAL 436 N 1.14 1.11 -0.64 -2.88 2.07 -0.74 0.68 116.25 116.99 1qwu h VAL 436 Ca 0.26 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1qwu h VAL 436 Cb 0.23 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1qwu h VAL 436 CO -0.02 0.09 0.42 -0.09 0.02 0.00 0.00 177.57 177.99 1qwu h ARG 437 N -0.02 0.84 -0.47 1.57 2.43 -1.01 -0.84 114.38 116.88 1qwu h ARG 437 Ca 0.02 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1qwu h ARG 437 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1qwu h ARG 437 CO -0.00 0.56 -0.08 0.00 -1.51 0.00 0.00 179.97 178.94 1qwu h ALA 438 N 1.24 0.97 -0.17 2.80 0.00 -0.43 -0.96 119.26 122.71 1qwu h ALA 438 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1qwu h ALA 438 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qwu h ALA 438 CO -0.05 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 1qwu h ALA 439 N 1.14 0.23 -0.62 0.00 0.00 -0.59 -0.58 119.26 118.83 1qwu h ALA 439 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1qwu h ALA 439 Cb 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1qwu h ALA 439 CO 0.03 -0.02 0.22 0.93 0.00 0.00 0.00 179.25 180.42 1qwu h GLU 440 N 0.03 0.92 0.03 0.00 5.08 -1.05 -2.45 114.58 117.14 1qwu h GLU 440 Ca 0.04 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1qwu h GLU 440 Cb 0.45 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1qwu h GLU 440 CO 0.01 0.77 -0.01 1.98 -1.00 0.00 0.00 179.01 180.76 1qwu h MET 441 N 0.90 -0.04 -0.88 2.33 4.05 -1.08 -2.24 114.93 117.97 1qwu h MET 441 Ca 0.21 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.65 1qwu h MET 441 Cb 0.21 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 1qwu h MET 441 CO -0.01 0.48 0.58 -0.07 0.23 0.00 0.00 176.91 178.12 1qwu h LEU 442 N -0.58 0.98 0.00 3.39 3.38 -1.10 -2.25 115.31 119.12 1qwu h LEU 442 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qwu h LEU 442 Cb 0.54 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1qwu h LEU 442 CO 0.01 0.69 -0.37 -1.54 0.09 0.00 0.00 178.44 177.32 1qwu n SER 443 N -4.43 0.49 0.21 -0.43 3.41 -0.93 -3.73 113.62 108.22 1qwu n SER 443 Ca 0.11 0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.91 1qwu n SER 443 Cb 0.07 -0.07 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 1qwu n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qwu h ALA 444 N 2.79 1.22 -0.09 7.33 0.00 -0.76 -3.06 119.26 126.68 1qwu h ALA 444 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1qwu h ALA 444 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qwu h ALA 444 CO 0.00 0.39 0.07 -1.49 0.00 0.00 0.00 179.25 178.22 1qwu h TRP 445 N 0.00 0.00 -2.11 0.00 4.06 -1.64 -3.43 115.95 112.83 1qwu h TRP 445 Ca -0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.35 1qwu h TRP 445 Cb 0.66 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.69 1qwu h TRP 445 CO 0.00 0.00 -0.68 -1.01 -3.56 0.00 0.00 178.44 173.19 1qwu s HIS 446 N -5.04 2.30 -0.11 0.49 3.76 -1.16 -5.09 115.29 110.43 1qwu s HIS 446 Ca -0.05 -0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 54.22 1qwu s HIS 446 Cb 0.17 -1.30 -0.05 0.00 1.11 0.00 0.00 32.58 32.52 1qwu s HIS 446 CO 0.68 0.53 0.23 0.45 -0.85 0.00 0.00 174.74 175.78 1qwu s SER 447 N -3.57 6.47 -0.01 1.40 0.15 -1.26 -4.98 113.70 111.91 1qwu s SER 447 Ca 0.32 0.56 0.06 0.00 0.70 0.00 0.00 55.95 57.59 1qwu s SER 447 Cb 0.02 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1qwu s SER 447 CO 0.15 0.29 -0.20 0.26 1.20 0.00 0.00 173.24 174.95 1qwu s TRP 448 N -0.54 2.52 0.40 3.44 0.52 -1.26 -5.01 118.94 119.01 1qwu s TRP 448 Ca 0.16 -0.29 -0.27 0.00 0.02 0.00 0.00 56.10 55.72 1qwu s TRP 448 Cb -0.13 -1.53 -0.10 0.00 -1.15 0.00 0.00 33.47 30.56 1qwu s TRP 448 CO 0.05 0.13 1.44 0.34 0.02 0.00 0.00 176.95 178.93 1qwu s ASP 449 N -0.91 6.23 0.58 2.95 -1.08 -1.26 -4.29 116.67 118.89 1qwu s ASP 449 Ca 0.12 2.94 0.28 0.00 -0.52 0.00 0.00 52.55 55.37 1qwu s ASP 449 Cb -0.10 -2.66 1.52 0.00 -1.46 0.00 0.00 42.92 40.22 1qwu s ASP 449 CO 0.01 -0.94 1.99 1.23 0.52 0.00 0.00 175.17 177.99 1qwu h GLY 450 N 2.79 0.00 2.00 2.66 0.00 -2.01 0.23 103.07 108.74 1qwu h GLY 450 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1qwu h GLY 450 CO 0.63 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.84 1qwu h MET 451 N 0.00 0.00 0.00 4.80 2.86 -2.05 -2.05 114.93 118.49 1qwu h MET 451 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1qwu h MET 451 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1qwu h MET 451 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1qwu h ALA 452 N 2.16 1.00 -4.92 6.32 0.00 -0.88 -3.47 119.26 119.47 1qwu h ALA 452 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1qwu h ALA 452 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1qwu h ALA 452 CO 0.00 0.00 -0.61 0.54 0.00 0.00 0.00 179.25 179.18 1qwu n ARG 453 N -2.75 -4.75 -0.04 0.00 1.74 -0.77 -4.90 116.66 105.19 1qwu n ARG 453 Ca 0.03 0.77 -0.13 0.00 -0.77 0.00 0.00 57.85 57.75 1qwu n ARG 453 Cb 0.36 -5.61 -0.11 0.00 -1.02 0.00 0.00 32.46 26.07 1qwu n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1qwu h ILE 454 N -1.40 1.59 -0.99 0.55 1.08 -1.85 -2.40 117.51 114.09 1qwu h ILE 454 Ca -0.51 -1.78 0.02 0.00 -0.39 0.00 0.00 64.86 62.21 1qwu h ILE 454 Cb 1.35 2.80 -0.05 0.00 -3.07 0.00 0.00 36.82 37.84 1qwu h ILE 454 CO 0.56 0.46 0.65 -0.33 -0.69 0.00 0.00 178.15 178.81 1qwu h GLU 455 N -0.76 1.26 -0.00 2.37 3.07 -1.93 -0.89 114.58 117.69 1qwu h GLU 455 Ca -0.00 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1qwu h GLU 455 Cb 0.75 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1qwu h GLU 455 CO 0.00 0.84 0.00 1.49 -1.40 0.00 0.00 179.01 179.94 1qwu h GLU 456 N 1.30 0.00 -0.49 2.33 4.81 -1.96 -0.61 114.58 119.97 1qwu h GLU 456 Ca 0.38 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 1qwu h GLU 456 Cb -0.08 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1qwu h GLU 456 CO -0.10 0.18 -0.08 0.00 -0.73 0.00 0.00 179.01 178.28 1qwu h ARG 457 N -0.18 0.88 -0.51 1.92 -0.00 -1.15 -2.24 114.38 113.10 1qwu h ARG 457 Ca 0.00 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.98 59.08 1qwu h ARG 457 Cb 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.06 1qwu h ARG 457 CO -0.00 0.93 -0.10 -0.07 0.00 0.00 0.00 179.97 180.73 1qwu h LEU 458 N 0.80 0.96 -0.59 3.04 3.38 -1.10 -1.65 115.31 120.15 1qwu h LEU 458 Ca 0.13 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1qwu h LEU 458 Cb 0.59 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1qwu h LEU 458 CO 0.04 1.09 0.29 -0.08 0.09 0.00 0.00 178.44 179.86 1qwu h GLU 459 N 0.82 0.84 -0.68 1.13 4.81 -0.97 0.06 114.58 120.59 1qwu h GLU 459 Ca 0.13 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1qwu h GLU 459 Cb 0.65 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1qwu h GLU 459 CO 0.05 0.68 0.29 0.37 -0.73 0.00 0.00 179.01 179.66 1qwu h GLN 460 N 0.80 1.01 -0.45 1.92 4.15 -1.25 -1.28 115.11 120.01 1qwu h GLN 460 Ca 0.20 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 1qwu h GLN 460 Cb 0.11 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1qwu h GLN 460 CO -0.03 0.83 -0.03 0.00 -1.93 0.00 0.00 178.83 177.67 1qwu h ALA 461 N 1.13 0.61 -0.93 3.38 0.00 -0.87 -1.67 119.26 120.91 1qwu h ALA 461 Ca 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1qwu h ALA 461 Cb 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1qwu h ALA 461 CO -0.02 0.43 0.53 0.00 0.00 0.00 0.00 179.25 180.19 1qwu h ARG 462 N 0.66 1.27 -0.40 0.00 3.08 -0.84 -2.13 114.38 116.03 1qwu h ARG 462 Ca 0.12 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1qwu h ARG 462 Cb 0.54 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1qwu h ARG 462 CO 0.03 0.91 -0.33 0.00 -1.07 0.00 0.00 179.97 179.51 1qwu h ARG 463 N 1.29 0.91 -0.29 0.04 3.08 -1.01 0.68 114.38 119.08 1qwu h ARG 463 Ca 0.33 -0.44 -0.17 0.00 0.07 0.00 0.00 59.98 59.76 1qwu h ARG 463 Cb -0.01 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1qwu h ARG 463 CO -0.06 1.10 -0.50 0.93 -1.07 0.00 0.00 179.97 180.37 1qwu h GLU 464 N 0.76 0.85 -0.60 0.04 4.39 -1.21 0.71 114.58 119.51 1qwu h GLU 464 Ca 0.08 -0.53 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 1qwu h GLU 464 Cb 0.91 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1qwu h GLU 464 CO 0.08 1.16 0.07 1.25 -1.16 0.00 0.00 179.01 180.42 1qwu h LEU 465 N 0.63 0.98 -0.57 1.33 5.85 -1.40 -2.46 115.31 119.66 1qwu h LEU 465 Ca 0.02 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1qwu h LEU 465 Cb 1.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1qwu h LEU 465 CO 0.11 1.01 0.30 0.28 -0.34 0.00 0.00 178.44 179.81 1qwu h SER 466 N 0.92 0.72 -0.78 1.25 0.02 -0.74 -2.55 113.55 112.40 1qwu h SER 466 Ca 0.18 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1qwu h SER 466 Cb 0.46 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1qwu h SER 466 CO 0.02 0.62 0.49 0.25 -1.14 0.00 0.00 176.83 177.07 1qwu h LEU 467 N 0.77 0.80 -0.98 5.07 5.85 -0.68 -1.36 115.31 124.78 1qwu h LEU 467 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1qwu h LEU 467 Cb 0.06 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1qwu h LEU 467 CO -0.03 0.54 0.00 0.33 -0.34 0.00 0.00 178.44 178.94 1qwu n PHE 468 N -4.63 0.70 0.65 1.25 7.35 -0.94 -1.64 117.46 120.20 1qwu n PHE 468 Ca 0.09 0.32 0.10 0.00 -0.76 0.00 0.00 57.45 57.20 1qwu n PHE 468 Cb 0.11 -1.01 0.43 0.00 0.35 0.00 0.00 39.48 39.36 1qwu n PHE 468 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1qwu n GLN 469 N -2.18 0.03 -1.48 -4.13 1.13 -0.51 -0.89 117.38 109.36 1qwu n GLN 469 Ca 0.00 0.19 -0.38 0.00 -1.94 0.00 0.00 57.00 54.87 1qwu n GLN 469 Cb 0.12 -1.55 0.04 0.00 0.11 0.00 0.00 30.24 28.96 1qwu n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1qwu n HIS 470 N -1.61 -0.57 1.02 1.08 -0.00 -0.65 -0.93 115.22 113.55 1qwu n HIS 470 Ca 0.05 0.44 0.02 0.00 -0.00 0.00 0.00 57.72 58.23 1qwu n HIS 470 Cb 0.24 -1.97 0.14 0.00 -0.00 0.00 0.00 29.99 28.40 1qwu n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1qwu n HIS 471 N -1.67 0.00 -0.27 1.57 1.44 -1.16 -0.87 115.22 114.26 1qwu n HIS 471 Ca 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.83 1qwu n HIS 471 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1qwu n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1qwu n ASP 472 N -0.64 1.18 0.00 4.39 8.00 -1.26 -4.68 116.55 123.54 1qwu n ASP 472 Ca 0.03 -1.45 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1qwu n ASP 472 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1qwu n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwu n GLY 473 N -0.22 0.98 0.33 0.44 0.00 -0.05 -3.40 105.19 103.28 1qwu n GLY 473 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1qwu n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qwu h ILE 474 N 0.00 0.14 0.00 -0.61 2.10 -1.05 -1.29 117.51 116.80 1qwu h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1qwu h ILE 474 Cb 0.00 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1qwu h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 1qwu h THR 475 N 0.00 0.00 -1.08 2.19 1.35 -1.81 -3.43 112.91 110.12 1qwu h THR 475 Ca 0.02 -0.34 -0.16 0.00 -0.55 0.00 0.00 66.41 65.37 1qwu h THR 475 Cb 0.23 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1qwu h THR 475 CO -0.00 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 175.68 1qwu n GLY 476 N -0.33 0.14 0.99 5.82 0.00 -0.49 -4.44 105.19 106.88 1qwu n GLY 476 Ca -0.00 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.51 1qwu n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qwu n THR 477 N -3.87 2.37 -3.63 2.61 -2.24 -1.25 -4.59 114.28 103.68 1qwu n THR 477 Ca -0.10 -2.08 -0.20 0.00 -2.27 0.00 0.00 64.05 59.40 1qwu n THR 477 Cb 0.54 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1qwu n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwu s ALA 478 N -2.94 4.03 0.76 6.98 0.00 -1.22 -4.89 121.76 124.49 1qwu s ALA 478 Ca 0.43 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1qwu s ALA 478 Cb 0.36 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 22.17 1qwu s ALA 478 CO 0.07 -0.04 1.10 0.15 0.00 0.00 0.00 175.76 177.04 1qwu s LYS 479 N -4.09 2.27 0.19 0.00 1.02 0.07 -4.73 119.74 114.47 1qwu s LYS 479 Ca 0.44 1.23 -0.18 0.00 0.02 0.00 0.00 55.97 57.48 1qwu s LYS 479 Cb -0.07 -1.90 0.14 0.00 -0.52 0.00 0.00 37.83 35.49 1qwu s LYS 479 CO 0.29 -1.64 1.61 1.15 -0.92 0.00 0.00 175.35 175.84 1qwu h THR 480 N -0.97 0.30 0.00 2.17 2.02 -1.94 0.09 112.91 114.58 1qwu h THR 480 Ca -0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1qwu h THR 480 Cb 1.24 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1qwu h THR 480 CO 0.51 0.00 -0.04 1.12 0.37 0.00 0.00 175.52 177.48 1qwu h HIS 481 N -0.12 0.00 0.05 3.16 2.07 -1.96 -1.80 115.15 116.55 1qwu h HIS 481 Ca 0.23 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.53 1qwu h HIS 481 Cb 0.50 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.50 1qwu h HIS 481 CO -0.53 0.04 -0.90 0.28 -3.07 0.00 0.00 177.93 173.75 1qwu h VAL 482 N 0.00 1.37 -0.93 6.12 2.07 -1.35 -2.28 116.25 121.26 1qwu h VAL 482 Ca -0.00 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1qwu h VAL 482 Cb 0.47 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 1qwu h VAL 482 CO 0.01 0.68 0.60 0.58 0.02 0.00 0.00 177.57 179.45 1qwu h VAL 483 N 0.06 1.12 -0.79 2.57 2.07 -0.95 -0.50 116.25 119.82 1qwu h VAL 483 Ca -0.13 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1qwu h VAL 483 Cb 1.61 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1qwu h VAL 483 CO 0.17 0.21 0.37 0.58 0.02 0.00 0.00 177.57 178.92 1qwu h VAL 484 N 1.14 1.25 -0.51 2.57 2.07 -1.26 -0.93 116.25 120.58 1qwu h VAL 484 Ca 0.38 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1qwu h VAL 484 Cb 0.06 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1qwu h VAL 484 CO -0.14 0.30 0.23 -0.78 0.02 0.00 0.00 177.57 177.20 1qwu h ASP 485 N 1.13 0.68 -0.67 0.57 -0.00 -0.60 -0.46 116.42 117.06 1qwu h ASP 485 Ca 0.27 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.03 57.13 1qwu h ASP 485 Cb 0.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.26 1qwu h ASP 485 CO -0.03 0.63 0.33 1.88 -0.00 0.00 0.00 179.24 182.05 1qwu h TYR 486 N 0.67 0.99 -0.25 0.28 0.99 -0.69 -1.55 116.97 117.41 1qwu h TYR 486 Ca 0.17 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 1qwu h TYR 486 Cb 0.15 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 1qwu h TYR 486 CO -0.00 0.72 0.06 1.49 -0.00 0.00 0.00 178.16 180.43 1qwu h GLU 487 N 0.98 0.40 -0.73 4.88 4.81 -0.60 -0.15 114.58 124.18 1qwu h GLU 487 Ca 0.24 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1qwu h GLU 487 Cb 0.11 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1qwu h GLU 487 CO -0.03 0.51 0.26 1.96 -0.73 0.00 0.00 179.01 180.98 1qwu h GLN 488 N 0.23 1.10 -0.18 1.92 4.20 -0.94 0.21 115.11 121.65 1qwu h GLN 488 Ca 0.08 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1qwu h GLN 488 Cb 0.29 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1qwu h GLN 488 CO 0.00 0.92 0.10 0.00 -0.67 0.00 0.00 178.83 179.18 1qwu h ARG 489 N 1.05 0.25 -0.48 1.46 3.08 -1.14 -1.37 114.38 117.23 1qwu h ARG 489 Ca 0.24 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1qwu h ARG 489 Cb 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1qwu h ARG 489 CO -0.01 0.25 0.10 0.52 -1.07 0.00 0.00 179.97 179.75 1qwu h MET 490 N 0.18 0.73 -0.69 0.04 2.86 -0.65 -0.37 114.93 117.03 1qwu h MET 490 Ca 0.06 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1qwu h MET 490 Cb 0.08 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1qwu h MET 490 CO -0.01 0.68 0.44 0.37 1.06 0.00 0.00 176.91 179.45 1qwu h GLN 491 N 0.71 0.91 -0.37 1.72 5.75 -0.19 0.18 115.11 123.82 1qwu h GLN 491 Ca 0.16 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1qwu h GLN 491 Cb 0.29 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1qwu h GLN 491 CO 0.00 0.62 -0.11 0.93 -2.65 0.00 0.00 178.83 177.62 1qwu h GLU 492 N 0.93 0.65 -0.63 1.69 4.39 -0.64 -2.01 114.58 118.96 1qwu h GLU 492 Ca 0.25 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1qwu h GLU 492 Cb -0.09 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1qwu h GLU 492 CO -0.05 0.74 0.20 0.00 -1.16 0.00 0.00 179.01 178.74 1qwu h ALA 493 N 1.29 0.82 -0.35 3.43 0.00 0.25 -0.84 119.26 123.86 1qwu h ALA 493 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1qwu h ALA 493 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1qwu h ALA 493 CO 0.03 0.49 0.19 -0.07 0.00 0.00 0.00 179.25 179.89 1qwu h LEU 494 N 0.90 0.44 -1.07 0.00 3.38 -0.30 -1.26 115.31 117.41 1qwu h LEU 494 Ca 0.20 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1qwu h LEU 494 Cb 0.29 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1qwu h LEU 494 CO -0.01 0.41 0.62 0.11 0.09 0.00 0.00 178.44 179.66 1qwu h LYS 495 N 0.44 1.24 -0.24 1.13 1.57 -1.13 -0.81 116.57 118.77 1qwu h LYS 495 Ca 0.12 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1qwu h LYS 495 Cb 0.07 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1qwu h LYS 495 CO -0.02 0.83 0.13 0.00 -0.57 0.00 0.00 179.45 179.82 1qwu h ALA 496 N 1.40 0.31 -0.43 3.86 0.00 -0.82 -1.17 119.26 122.42 1qwu h ALA 496 Ca 0.34 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1qwu h ALA 496 Cb -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1qwu h ALA 496 CO -0.07 -0.15 0.23 0.00 0.00 0.00 0.00 179.25 179.26 1qwu h GLN 498 N 0.46 -0.04 -0.33 0.00 4.15 -0.93 0.18 115.11 118.60 1qwu h GLN 498 Ca 0.18 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1qwu h GLN 498 Cb 0.06 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 1qwu h GLN 498 CO -0.11 -0.02 0.01 1.98 -1.93 0.00 0.00 178.83 178.75 1qwu h MET 499 N -0.04 0.10 -0.34 1.69 4.05 -0.88 0.46 114.93 119.97 1qwu h MET 499 Ca 0.07 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1qwu h MET 499 Cb 0.14 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1qwu h MET 499 CO -0.16 0.07 0.10 0.28 0.23 0.00 0.00 176.91 177.43 1qwu h VAL 500 N 0.10 1.21 -0.06 -5.77 2.07 -0.95 -2.05 116.25 110.81 1qwu h VAL 500 Ca 0.16 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1qwu h VAL 500 Cb 0.22 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1qwu h VAL 500 CO -0.26 0.24 0.04 0.24 0.02 0.00 0.00 177.57 177.85 1qwu h MET 501 N 0.40 0.08 -0.39 1.57 2.07 -0.27 -0.61 114.93 117.78 1qwu h MET 501 Ca 0.11 -0.01 -0.10 0.00 -2.07 0.00 0.00 59.70 57.64 1qwu h MET 501 Cb 0.27 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 1qwu h MET 501 CO -0.00 0.07 -0.16 -0.56 1.07 0.00 0.00 176.91 177.33 1qwu h GLN 502 N 0.07 0.71 -0.76 1.72 -0.00 -0.89 0.35 115.11 116.30 1qwu h GLN 502 Ca 0.02 -0.25 -0.06 0.00 -0.00 0.00 0.00 58.65 58.37 1qwu h GLN 502 Cb 0.01 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 27.40 1qwu h GLN 502 CO -0.00 0.83 0.25 1.96 -0.00 0.00 0.00 178.83 181.87 1qwu h GLN 503 N 0.64 1.18 -0.37 0.06 1.08 -1.24 -1.24 115.11 115.21 1qwu h GLN 503 Ca 0.10 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 1qwu h GLN 503 Cb 0.62 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1qwu h GLN 503 CO 0.04 0.99 0.14 0.77 -0.95 0.00 0.00 178.83 179.82 1qwu h SER 504 N 1.13 0.52 -0.53 1.46 0.02 -0.47 -2.12 113.55 113.56 1qwu h SER 504 Ca 0.25 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1qwu h SER 504 Cb 0.29 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1qwu h SER 504 CO -0.01 0.56 0.27 0.58 -1.14 0.00 0.00 176.83 177.09 1qwu h VAL 505 N 0.45 1.19 -0.49 2.27 2.07 -0.72 -0.53 116.25 120.49 1qwu h VAL 505 Ca 0.12 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1qwu h VAL 505 Cb 0.21 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1qwu h VAL 505 CO -0.01 0.21 0.22 0.22 0.02 0.00 0.00 177.57 178.23 1qwu h TYR 506 N 0.71 0.40 -0.44 1.57 3.20 -1.04 -0.96 116.97 120.41 1qwu h TYR 506 Ca 0.18 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1qwu h TYR 506 Cb 0.09 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1qwu h TYR 506 CO -0.01 0.18 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.36 1qwu h ARG 507 N 0.43 0.91 -0.01 1.82 2.43 -1.09 -2.79 114.38 116.09 1qwu h ARG 507 Ca 0.22 -0.39 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1qwu h ARG 507 Cb 0.17 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1qwu h ARG 507 CO -0.18 1.04 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.78 1qwu h LEU 508 N 0.78 0.01 -3.24 3.80 3.38 -0.73 -3.26 115.31 116.06 1qwu h LEU 508 Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1qwu h LEU 508 Cb 0.79 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1qwu h LEU 508 CO 0.07 0.48 -0.01 0.18 0.09 0.00 0.00 178.44 179.25 1qwu n LEU 509 N -3.98 3.72 -4.20 1.67 4.77 -0.40 -4.91 117.00 113.68 1qwu n LEU 509 Ca -0.02 -3.18 -0.30 0.00 -0.03 0.00 0.00 56.01 52.49 1qwu n LEU 509 Cb 0.49 -0.55 -0.17 0.00 -2.33 0.00 0.00 43.42 40.87 1qwu n LEU 509 CO 0.40 0.79 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.82 1qwu s THR 510 N -2.92 1.85 -0.15 -5.08 2.01 -1.06 -0.36 115.64 109.93 1qwu s THR 510 Ca 0.41 -0.92 -0.40 0.00 0.31 0.00 0.00 61.69 61.09 1qwu s THR 510 Cb 0.35 -1.59 -0.18 0.00 0.01 0.00 0.00 72.50 71.09 1qwu s THR 510 CO 0.06 0.52 1.45 1.17 -0.69 0.00 0.00 174.62 177.13 1qwu n LYS 511 N 3.32 0.70 -0.27 4.92 4.81 -0.52 -4.68 118.16 126.43 1qwu n LYS 511 Ca -0.19 0.25 0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1qwu n LYS 511 Cb 0.52 -1.85 0.22 0.00 0.02 0.00 0.00 35.03 33.94 1qwu n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1qwu h PRO 512 N 5.12 0.26 0.00 1.64 0.11 -1.92 -0.89 132.00 136.32 1qwu h PRO 512 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qwu h PRO 512 Cb 1.36 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qwu h PRO 512 CO 0.84 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 1qwu n SER 513 N -5.17 0.00 -0.05 -2.05 3.41 -1.26 -2.74 113.62 105.76 1qwu n SER 513 Ca 0.17 -0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 58.18 1qwu n SER 513 Cb 0.53 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 1qwu n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1qwu n ILE 514 N -1.08 0.72 -1.58 -1.33 5.41 -0.45 -4.99 119.36 116.06 1qwu n ILE 514 Ca 0.16 -0.43 -0.54 0.00 1.00 0.00 0.00 62.75 62.94 1qwu n ILE 514 Cb 0.11 -0.74 -0.07 0.00 -0.71 0.00 0.00 39.64 38.23 1qwu n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qwu n TYR 515 N -2.42 1.87 -3.47 1.39 9.36 -0.56 -4.91 117.16 118.42 1qwu n TYR 515 Ca -0.17 0.36 -0.27 0.00 3.32 0.00 0.00 57.90 61.14 1qwu n TYR 515 Cb 0.83 -2.51 -0.10 0.00 -0.63 0.00 0.00 39.34 36.92 1qwu n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1qwu s SER 516 N 5.28 2.00 0.29 2.98 0.15 -1.26 -5.04 113.70 118.11 1qwu s SER 516 Ca 1.03 -3.08 -0.29 0.00 0.70 0.00 0.00 55.95 54.31 1qwu s SER 516 Cb -0.95 -0.59 -0.09 0.00 -1.71 0.00 0.00 66.02 62.67 1qwu s SER 516 CO 0.57 -0.17 1.06 -2.16 1.20 0.00 0.00 173.24 173.74 1qwu s PRO 517 N -0.04 4.59 -0.37 5.44 0.04 -1.26 -5.02 135.00 138.38 1qwu s PRO 517 Ca 0.30 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1qwu s PRO 517 Cb 0.00 -3.08 0.08 0.00 0.04 0.00 0.00 34.50 31.53 1qwu s PRO 517 CO -0.17 0.21 0.14 0.34 0.04 0.00 0.00 177.00 177.55 1qwu s ASP 518 N -1.07 5.22 0.00 6.66 -1.08 -1.26 -4.98 116.67 120.16 1qwu s ASP 518 Ca 0.46 -1.59 0.04 0.00 -0.52 0.00 0.00 52.55 50.94 1qwu s ASP 518 Cb -0.29 -1.83 0.17 0.00 -1.46 0.00 0.00 42.92 39.52 1qwu s ASP 518 CO 0.37 -0.43 1.01 0.49 0.52 0.00 0.00 175.17 177.13 1qwu n PHE 519 N 4.69 0.00 0.59 -5.34 3.72 -1.26 -1.01 117.46 118.85 1qwu n PHE 519 Ca -0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.39 1qwu n PHE 519 Cb 0.43 -0.37 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 1qwu n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qwu n SER 520 N -1.37 1.91 -4.87 4.37 3.41 -1.26 -4.99 113.62 110.82 1qwu n SER 520 Ca 0.01 -1.46 -0.31 0.00 -0.26 0.00 0.00 58.87 56.86 1qwu n SER 520 Cb 0.03 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1qwu n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qwu s PHE 521 N -1.35 3.43 -0.60 7.33 5.36 -0.18 -5.05 117.98 126.92 1qwu s PHE 521 Ca 0.15 0.97 -0.12 0.00 -0.96 0.00 0.00 56.93 56.97 1qwu s PHE 521 Cb 0.11 -2.35 0.15 0.00 -0.34 0.00 0.00 43.02 40.60 1qwu s PHE 521 CO 0.23 0.12 0.51 -1.12 -1.46 0.00 0.00 175.22 173.50 1qwu s SER 522 N -2.65 6.08 0.26 6.13 0.01 -1.26 -4.90 113.70 117.36 1qwu s SER 522 Ca 0.50 -2.19 0.08 0.00 1.31 0.00 0.00 55.95 55.65 1qwu s SER 522 Cb -0.11 -2.11 0.32 0.00 0.21 0.00 0.00 66.02 64.34 1qwu s SER 522 CO 0.24 -0.68 1.59 1.88 0.41 0.00 0.00 173.24 176.69 1qwu h TYR 523 N 8.25 0.11 -3.99 2.43 -1.99 -1.94 -3.42 116.97 116.41 1qwu h TYR 523 Ca -0.13 -0.04 -0.20 0.00 2.00 0.00 0.00 58.73 60.35 1qwu h TYR 523 Cb 1.06 -0.02 -0.18 0.00 2.00 0.00 0.00 36.73 39.58 1qwu h TYR 523 CO 0.78 0.68 -0.71 -0.06 -0.00 0.00 0.00 178.16 178.85 1qwu s PHE 524 N -3.66 0.58 -0.02 4.88 0.40 -1.26 -0.70 117.98 118.19 1qwu s PHE 524 Ca -0.02 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1qwu s PHE 524 Cb 0.12 -0.37 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 1qwu s PHE 524 CO 0.78 -0.19 -0.21 0.95 0.70 0.00 0.00 175.22 177.24 1qwu s THR 525 N -2.41 2.46 0.31 0.64 -4.23 -0.46 -4.88 115.64 107.07 1qwu s THR 525 Ca -0.03 -1.00 -0.28 0.00 -1.18 0.00 0.00 61.69 59.20 1qwu s THR 525 Cb -0.03 -1.91 -0.09 0.00 1.34 0.00 0.00 72.50 71.80 1qwu s THR 525 CO -0.03 0.56 1.04 -0.22 -0.54 0.00 0.00 174.62 175.42 1qwu s LEU 526 N -0.75 4.43 -0.20 4.79 2.96 -1.26 -1.02 118.68 127.63 1qwu s LEU 526 Ca 0.11 2.09 0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1qwu s LEU 526 Cb -0.10 -3.83 0.03 0.00 0.50 0.00 0.00 46.19 42.79 1qwu s LEU 526 CO 0.00 -0.17 -0.16 -0.62 -1.32 0.00 0.00 176.35 174.07 1qwu s ASP 527 N -1.23 3.51 -0.22 3.68 2.15 0.14 -4.90 116.67 119.81 1qwu s ASP 527 Ca 0.48 -0.88 0.02 0.00 0.43 0.00 0.00 52.55 52.60 1qwu s ASP 527 Cb -0.26 -1.47 0.04 0.00 -0.30 0.00 0.00 42.92 40.93 1qwu s ASP 527 CO 0.33 -0.07 -0.16 -0.62 -0.17 0.00 0.00 175.17 174.49 1qwu s ASP 528 N 1.25 3.74 0.49 -0.34 -1.08 -1.26 -4.10 116.67 115.37 1qwu s ASP 528 Ca 0.00 -1.00 0.29 0.00 -0.52 0.00 0.00 52.55 51.33 1qwu s ASP 528 Cb -0.15 -1.51 0.93 0.00 -1.46 0.00 0.00 42.92 40.73 1qwu s ASP 528 CO -0.10 -0.09 1.82 0.28 0.52 0.00 0.00 175.17 177.60 1qwu h SER 529 N 7.86 0.00 -0.07 -0.34 0.02 -1.98 -3.33 113.55 115.71 1qwu h SER 529 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1qwu h SER 529 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1qwu h SER 529 CO 0.55 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.78 1qwu n ARG 530 N -3.04 1.04 -3.69 3.45 1.74 -1.26 -4.30 116.66 110.60 1qwu n ARG 530 Ca 0.02 -1.21 -0.11 0.00 -0.77 0.00 0.00 57.85 55.78 1qwu n ARG 530 Cb 0.40 -1.12 -0.12 0.00 -1.02 0.00 0.00 32.46 30.60 1qwu n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1qwu s TRP 531 N -0.68 -0.53 -0.10 -1.55 -0.11 -1.25 -3.66 118.94 111.07 1qwu s TRP 531 Ca 0.09 1.13 0.28 0.00 1.22 0.00 0.00 56.10 58.82 1qwu s TRP 531 Cb 0.05 0.16 1.36 0.00 -1.50 0.00 0.00 33.47 33.54 1qwu s TRP 531 CO 0.07 -0.34 1.84 -1.35 -4.62 0.00 0.00 176.95 172.56 1qwu h PRO 532 N 7.51 0.00 0.00 5.86 0.11 -1.86 -3.43 132.00 140.18 1qwu h PRO 532 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1qwu h PRO 532 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qwu h PRO 532 CO 0.26 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.46 1qwu n GLY 533 N -0.70 2.33 3.70 -0.55 0.00 -1.24 -4.41 105.19 104.32 1qwu n GLY 533 Ca -0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1qwu n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qwu s SER 534 N 0.00 6.48 0.00 1.61 0.15 -1.26 -1.21 113.70 119.46 1qwu s SER 534 Ca 0.00 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1qwu s SER 534 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1qwu s SER 534 CO 0.00 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.11 1qwu n GLY 535 N 4.05 1.17 0.14 9.45 0.00 -1.26 -4.83 105.19 113.90 1qwu n GLY 535 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1qwu n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qwu n VAL 536 N -2.00 1.30 -3.64 1.61 0.31 -0.35 -5.00 118.33 110.57 1qwu n VAL 536 Ca 0.00 -0.47 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 1qwu n VAL 536 Cb 0.00 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 31.47 1qwu n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1qwu s GLU 537 N -2.45 0.59 -1.15 5.55 2.12 -1.04 -4.99 118.70 117.34 1qwu s GLU 537 Ca -0.31 1.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.90 1qwu s GLU 537 Cb 0.09 0.17 0.10 0.00 0.26 0.00 0.00 34.13 34.75 1qwu s GLU 537 CO 0.50 -0.13 1.48 0.34 -0.54 0.00 0.00 175.26 176.91 1qwu s ASP 538 N 1.65 6.79 -0.00 -1.70 -1.08 -1.26 -4.60 116.67 116.47 1qwu s ASP 538 Ca -0.09 -2.31 0.09 0.00 -0.52 0.00 0.00 52.55 49.72 1qwu s ASP 538 Cb -0.05 -2.50 -0.10 0.00 -1.46 0.00 0.00 42.92 38.81 1qwu s ASP 538 CO -0.18 -1.11 0.34 -1.54 0.52 0.00 0.00 175.17 173.20 1qwu n SER 539 N 7.41 0.87 -4.77 -0.34 3.41 -1.26 -5.02 113.62 113.93 1qwu n SER 539 Ca 0.38 -0.58 -0.39 0.00 -0.26 0.00 0.00 58.87 58.02 1qwu n SER 539 Cb 0.47 1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 65.45 1qwu n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qwu s ARG 540 N -1.98 4.55 0.09 4.33 0.52 -1.26 -5.03 118.95 120.17 1qwu s ARG 540 Ca 0.02 1.62 -0.14 0.00 -0.52 0.00 0.00 55.73 56.72 1qwu s ARG 540 Cb 0.07 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 1qwu s ARG 540 CO 0.37 0.18 0.48 0.95 0.02 0.00 0.00 175.30 177.30 1qwu s THR 541 N -1.34 4.94 -0.04 0.02 -4.23 -1.26 -5.05 115.64 108.68 1qwu s THR 541 Ca 0.48 0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 61.55 1qwu s THR 541 Cb -0.27 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 1qwu s THR 541 CO 0.34 0.35 0.56 -0.89 -0.54 0.00 0.00 174.62 174.44 1qwu s THR 542 N -1.34 5.01 -0.37 3.99 2.01 -1.26 -4.52 115.64 119.16 1qwu s THR 542 Ca 0.33 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 1qwu s THR 542 Cb -0.15 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1qwu s THR 542 CO 0.18 0.38 1.26 -0.63 -0.69 0.00 0.00 174.62 175.11 1qwu s ILE 543 N 0.11 4.16 -0.41 1.82 1.01 0.29 -4.92 121.20 123.24 1qwu s ILE 543 Ca 0.30 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 62.03 1qwu s ILE 543 Cb -0.17 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.01 1qwu s ILE 543 CO 0.15 -0.67 0.48 -0.63 0.00 0.00 0.00 174.94 174.27 1qwu s ILE 544 N 4.53 5.04 0.23 2.92 1.01 -1.26 -1.68 121.20 131.99 1qwu s ILE 544 Ca 0.54 -0.19 0.11 0.00 0.00 0.00 0.00 60.65 61.11 1qwu s ILE 544 Cb -0.13 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1qwu s ILE 544 CO 0.26 -0.42 -0.20 -0.76 0.00 0.00 0.00 174.94 173.82 1qwu s LEU 545 N 2.27 2.59 0.00 2.97 1.43 -1.26 -4.70 118.68 121.98 1qwu s LEU 545 Ca 0.14 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1qwu s LEU 545 Cb -0.16 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1qwu s LEU 545 CO 0.14 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1qwu n GLY 546 N -0.17 1.75 0.38 -3.19 0.00 0.67 -4.83 105.19 99.80 1qwu n GLY 546 Ca -0.09 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 45.92 1qwu n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qwu h GLU 547 N 0.00 0.47 -0.64 1.61 4.81 -1.97 0.31 114.58 119.17 1qwu h GLU 547 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1qwu h GLU 547 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1qwu h GLU 547 CO 0.00 0.31 0.00 -0.25 -0.73 0.00 0.00 179.01 178.34 1qwu n ASP 548 N -4.51 4.58 0.00 1.04 8.00 -1.26 -4.64 116.55 119.76 1qwu n ASP 548 Ca 0.16 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 53.13 1qwu n ASP 548 Cb 0.55 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1qwu n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qwu n ILE 549 N 0.84 0.00 -3.49 0.53 0.13 -0.27 -5.13 119.36 111.97 1qwu n ILE 549 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.89 1qwu n ILE 549 Cb 0.90 -0.40 -0.04 0.00 -0.84 0.00 0.00 39.64 39.26 1qwu n ILE 549 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1qwu s LEU 550 N -4.91 -0.77 0.31 9.51 2.96 -0.06 -4.91 118.68 120.81 1qwu s LEU 550 Ca 0.00 1.06 0.16 0.00 -0.22 0.00 0.00 54.13 55.13 1qwu s LEU 550 Cb 0.00 1.88 0.14 0.00 0.50 0.00 0.00 46.19 48.71 1qwu s LEU 550 CO 0.00 -0.15 1.49 1.55 -1.32 0.00 0.00 176.35 177.92 1qwu h PRO 551 N 7.62 0.00 -3.49 0.98 0.13 -1.90 0.19 132.00 135.54 1qwu h PRO 551 Ca -0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1qwu h PRO 551 Cb 1.11 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1qwu h PRO 551 CO 0.09 0.42 -0.05 -1.54 -0.23 0.00 0.00 178.00 176.69 1qwu s SER 552 N -6.41 -0.15 -0.11 1.44 1.04 -1.26 -1.10 113.70 107.14 1qwu s SER 552 Ca 0.04 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 1qwu s SER 552 Cb 0.07 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.82 1qwu s SER 552 CO 0.73 -1.12 0.29 -0.75 0.98 0.00 0.00 173.24 173.36 1qwu s LYS 553 N -3.96 0.29 0.11 4.02 2.47 -0.02 -4.97 119.74 117.68 1qwu s LYS 553 Ca 0.17 0.50 -0.20 0.00 -1.56 0.00 0.00 55.97 54.88 1qwu s LYS 553 Cb -0.01 0.03 -0.07 0.00 -1.46 0.00 0.00 37.83 36.31 1qwu s LYS 553 CO 0.05 -0.10 0.62 -1.01 0.16 0.00 0.00 175.35 175.07 1qwu s HIS 554 N 0.75 3.80 0.09 4.03 3.76 -1.26 -1.19 115.29 125.28 1qwu s HIS 554 Ca -0.05 1.34 0.05 0.00 -0.15 0.00 0.00 55.06 56.25 1qwu s HIS 554 Cb -0.06 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1qwu s HIS 554 CO -0.05 0.54 -0.12 0.14 -0.85 0.00 0.00 174.74 174.40 1qwu s VAL 555 N -1.18 1.08 -0.01 -0.90 -7.23 -0.22 -1.93 120.40 110.01 1qwu s VAL 555 Ca 0.32 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1qwu s VAL 555 Cb -0.20 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1qwu s VAL 555 CO 0.21 -0.38 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.87 1qwu s VAL 556 N -1.85 0.48 -0.05 1.32 1.01 0.37 -1.11 120.40 120.56 1qwu s VAL 556 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1qwu s VAL 556 Cb -0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1qwu s VAL 556 CO 0.02 0.16 -0.05 -0.04 0.00 0.00 0.00 175.10 175.18 1qwu s MET 557 N 0.16 2.75 -0.01 2.72 -1.94 -0.52 0.00 119.30 122.45 1qwu s MET 557 Ca -0.02 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 53.46 1qwu s MET 557 Cb -0.06 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 1qwu s MET 557 CO -0.00 0.66 -0.18 -1.58 -0.01 0.00 0.00 175.02 173.91 1qwu s HIS 558 N -0.88 2.58 -0.30 -0.03 5.04 0.38 -1.92 115.29 120.16 1qwu s HIS 558 Ca 0.14 -0.24 0.03 0.00 -1.54 0.00 0.00 55.06 53.44 1qwu s HIS 558 Cb -0.11 -1.55 0.08 0.00 0.04 0.00 0.00 32.58 31.05 1qwu s HIS 558 CO 0.03 0.17 -0.00 1.21 -2.34 0.00 0.00 174.74 173.81 1qwu s ASN 559 N -0.96 4.53 0.27 9.88 2.47 -0.42 -0.65 114.94 130.07 1qwu s ASN 559 Ca 0.12 -1.81 0.25 0.00 0.42 0.00 0.00 52.86 51.84 1qwu s ASN 559 Cb -0.10 -1.50 0.95 0.00 -1.45 0.00 0.00 41.25 39.14 1qwu s ASN 559 CO 0.02 -0.32 1.75 0.00 -3.72 0.00 0.00 177.10 174.83 1qwu h THR 560 N 6.65 0.00 -3.89 -5.21 1.03 -1.86 -1.77 112.91 107.86 1qwu h THR 560 Ca -0.10 -0.33 -0.48 0.00 -0.01 0.00 0.00 66.41 65.48 1qwu h THR 560 Cb 1.03 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1qwu h THR 560 CO 0.49 0.00 0.40 -0.76 -0.01 0.00 0.00 175.52 175.64 1qwu s LEU 561 N -4.65 4.32 -0.09 0.00 1.43 -1.26 -4.52 118.68 113.91 1qwu s LEU 561 Ca 0.06 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1qwu s LEU 561 Cb 0.10 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 1qwu s LEU 561 CO 0.46 -0.24 2.63 -0.81 0.23 0.00 0.00 176.35 178.62 1qwu n PRO 562 N 0.48 1.59 -3.66 1.29 -0.04 -1.26 -0.87 135.00 132.53 1qwu n PRO 562 Ca 0.02 -0.80 -0.14 0.00 -0.04 0.00 0.00 63.50 62.55 1qwu n PRO 562 Cb 0.49 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1qwu n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1qwu s HIS 563 N -0.10 -0.33 0.29 0.54 -3.43 -1.26 -0.69 115.29 110.31 1qwu s HIS 563 Ca 0.33 0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 54.72 1qwu s HIS 563 Cb 0.18 0.23 -0.13 0.00 -1.43 0.00 0.00 32.58 31.43 1qwu s HIS 563 CO -0.02 -0.54 1.21 0.91 -2.00 0.00 0.00 174.74 174.30 1qwu n TRP 564 N 0.77 1.86 -3.83 0.38 7.02 -1.26 -4.00 117.44 118.38 1qwu n TRP 564 Ca -0.19 0.59 -0.13 0.00 -1.02 0.00 0.00 57.50 56.75 1qwu n TRP 564 Cb 0.58 -2.36 -0.14 0.00 -2.42 0.00 0.00 31.31 26.97 1qwu n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1qwu s ARG 565 N -1.38 0.05 -0.04 -0.99 3.52 -0.73 -4.94 118.95 114.44 1qwu s ARG 565 Ca 0.60 0.11 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 1qwu s ARG 565 Cb -0.65 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 32.69 1qwu s ARG 565 CO 0.58 -0.04 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.72 1qwu s GLU 566 N 0.26 2.55 -0.22 5.12 2.02 -1.26 -1.39 118.70 125.79 1qwu s GLU 566 Ca -0.02 -0.68 -0.25 0.00 0.02 0.00 0.00 54.97 54.04 1qwu s GLU 566 Cb -0.03 -2.46 0.07 0.00 0.10 0.00 0.00 34.13 31.81 1qwu s GLU 566 CO -0.01 0.62 0.69 -1.14 0.02 0.00 0.00 175.26 175.44 1qwu s GLN 567 N -0.98 0.86 0.31 1.61 0.74 -0.88 -4.99 119.66 116.33 1qwu s GLN 567 Ca 0.13 0.82 -0.29 0.00 0.05 0.00 0.00 55.36 56.07 1qwu s GLN 567 Cb -0.11 0.41 -0.10 0.00 1.10 0.00 0.00 33.01 34.32 1qwu s GLN 567 CO 0.03 -0.14 1.16 -0.51 -0.55 0.00 0.00 175.29 175.27 1qwu s LEU 568 N 0.05 4.48 0.07 3.68 1.43 -1.26 -1.02 118.68 126.11 1qwu s LEU 568 Ca -0.02 2.38 0.06 0.00 -1.03 0.00 0.00 54.13 55.52 1qwu s LEU 568 Cb -0.04 -3.68 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1qwu s LEU 568 CO 0.03 -0.30 -0.17 0.68 0.23 0.00 0.00 176.35 176.82 1qwu s VAL 569 N -1.19 1.33 0.11 -1.59 -7.23 -0.10 -4.89 120.40 106.83 1qwu s VAL 569 Ca 0.47 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1qwu s VAL 569 Cb -0.34 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1qwu s VAL 569 CO 0.44 -0.12 -0.15 1.51 -0.31 0.00 0.00 175.10 176.47 1qwu s ASP 570 N -1.67 1.99 0.03 4.85 -4.77 -1.26 -2.01 116.67 113.82 1qwu s ASP 570 Ca 0.02 -0.76 -0.02 0.00 -3.30 0.00 0.00 52.55 48.49 1qwu s ASP 570 Cb -0.10 -0.07 -0.02 0.00 -1.09 0.00 0.00 42.92 41.64 1qwu s ASP 570 CO 0.03 -0.11 0.00 -0.36 0.70 0.00 0.00 175.17 175.43 1qwu s PHE 571 N -1.86 0.32 0.02 2.11 0.40 -0.50 -4.92 117.98 113.55 1qwu s PHE 571 Ca 0.06 -0.68 -0.20 0.00 -0.60 0.00 0.00 56.93 55.52 1qwu s PHE 571 Cb -0.06 -0.24 -0.06 0.00 0.51 0.00 0.00 43.02 43.17 1qwu s PHE 571 CO 0.03 -0.29 0.58 0.71 0.70 0.00 0.00 175.22 176.95 1qwu s TYR 572 N -2.46 3.72 0.10 0.36 2.02 -1.26 -0.63 117.35 119.20 1qwu s TYR 572 Ca -0.07 1.22 0.04 0.00 -0.37 0.00 0.00 57.07 57.89 1qwu s TYR 572 Cb -0.03 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1qwu s TYR 572 CO -0.04 0.42 -0.11 0.14 -1.57 0.00 0.00 175.55 174.39 1qwu s VAL 573 N -0.47 1.03 -2.06 0.71 -7.23 0.21 -0.55 120.40 112.04 1qwu s VAL 573 Ca 0.30 -1.61 0.12 0.00 -1.81 0.00 0.00 61.98 58.98 1qwu s VAL 573 Cb -0.19 -1.35 0.30 0.00 0.56 0.00 0.00 36.38 35.71 1qwu s VAL 573 CO 0.18 -0.49 1.35 -1.54 -0.31 0.00 0.00 175.10 174.29 1qwu n SER 574 N 0.65 0.80 -3.66 4.85 3.41 -0.68 -1.04 113.62 117.95 1qwu n SER 574 Ca -0.17 -1.79 -0.15 0.00 -0.26 0.00 0.00 58.87 56.50 1qwu n SER 574 Cb 0.57 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 1qwu n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qwu s SER 575 N -1.26 -0.48 0.10 4.04 0.15 -1.26 -4.76 113.70 110.23 1qwu s SER 575 Ca 0.19 0.69 0.28 0.00 0.70 0.00 0.00 55.95 57.81 1qwu s SER 575 Cb 0.10 0.71 1.02 0.00 -1.71 0.00 0.00 66.02 66.14 1qwu s SER 575 CO 0.15 -0.38 1.84 -0.81 1.20 0.00 0.00 173.24 175.24 1qwu n PRO 576 N 1.84 0.13 -2.95 5.44 -0.04 -1.26 -4.40 135.00 133.76 1qwu n PRO 576 Ca -0.17 0.10 -0.44 0.00 -0.04 0.00 0.00 63.50 62.95 1qwu n PRO 576 Cb 0.56 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1qwu n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qwu n PHE 577 N -1.86 4.39 -4.27 0.54 0.99 -1.26 -4.92 117.46 111.06 1qwu n PHE 577 Ca 0.06 -3.32 -0.18 0.00 -0.00 0.00 0.00 57.45 54.02 1qwu n PHE 577 Cb 0.38 -1.92 -0.15 0.00 -1.00 0.00 0.00 39.48 36.80 1qwu n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1qwu s VAL 578 N 0.11 0.59 0.23 -4.37 1.01 -1.26 -0.19 120.40 116.52 1qwu s VAL 578 Ca 0.38 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.17 1qwu s VAL 578 Cb -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 1qwu s VAL 578 CO -0.01 0.18 -0.18 -0.94 0.00 0.00 0.00 175.10 174.16 1qwu s SER 579 N 0.05 3.07 0.04 3.32 1.04 -0.22 -4.78 113.70 116.20 1qwu s SER 579 Ca -0.00 -1.00 0.09 0.00 0.48 0.00 0.00 55.95 55.52 1qwu s SER 579 Cb -0.05 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 1qwu s SER 579 CO -0.00 -0.05 -0.25 -0.69 0.98 0.00 0.00 173.24 173.23 1qwu s VAL 580 N -2.60 2.24 0.06 5.02 1.01 -1.26 -1.02 120.40 123.84 1qwu s VAL 580 Ca 0.25 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1qwu s VAL 580 Cb -0.03 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1qwu s VAL 580 CO 0.10 0.39 0.03 0.42 0.00 0.00 0.00 175.10 176.04 1qwu s THR 581 N -0.80 0.20 0.38 3.92 -4.23 -0.73 -0.80 115.64 113.58 1qwu s THR 581 Ca 0.12 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1qwu s THR 581 Cb -0.10 -1.46 0.08 0.00 1.34 0.00 0.00 72.50 72.35 1qwu s THR 581 CO 0.02 -0.90 0.53 -0.90 -0.54 0.00 0.00 174.62 172.83 1qwu n ASP 582 N 0.07 0.67 0.00 3.99 3.85 -0.47 -1.03 116.55 123.62 1qwu n ASP 582 Ca -0.14 -1.57 0.13 0.00 -0.71 0.00 0.00 54.79 52.49 1qwu n ASP 582 Cb 0.61 -0.34 0.60 0.00 -1.35 0.00 0.00 41.12 40.64 1qwu n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1qwu n LEU 583 N 0.00 0.00 -0.53 -2.12 7.94 -1.22 -1.24 117.00 119.83 1qwu n LEU 583 Ca 0.09 0.40 0.11 0.00 -1.11 0.00 0.00 56.01 55.49 1qwu n LEU 583 Cb 0.30 -0.40 0.40 0.00 0.53 0.00 0.00 43.42 44.25 1qwu n LEU 583 CO 0.21 -0.05 0.79 0.00 -1.11 0.00 0.00 177.39 177.22 1qwu n ALA 584 N -1.40 2.53 -1.39 1.96 0.00 -1.26 -4.91 120.51 116.04 1qwu n ALA 584 Ca 0.09 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 1qwu n ALA 584 Cb 0.26 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1qwu n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qwu n ASN 585 N 0.28 -3.99 -4.75 0.00 3.02 -0.37 -5.01 115.26 104.44 1qwu n ASN 585 Ca 0.16 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.51 1qwu n ASN 585 Cb 0.32 -2.44 -0.05 0.00 -0.61 0.00 0.00 39.78 37.00 1qwu n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qwu s ASN 586 N -2.86 7.59 0.53 6.41 0.01 -1.26 -4.77 114.94 120.58 1qwu s ASN 586 Ca 0.00 1.93 -0.20 0.00 -0.71 0.00 0.00 52.86 53.88 1qwu s ASN 586 Cb 0.00 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 1qwu s ASN 586 CO 0.00 0.08 1.14 -2.16 -1.51 0.00 0.00 177.10 174.66 1qwu s PRO 587 N -0.90 3.42 -0.11 -0.60 0.04 -1.26 -1.37 135.00 134.22 1qwu s PRO 587 Ca 0.43 1.67 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1qwu s PRO 587 Cb -0.26 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1qwu s PRO 587 CO 0.32 -0.80 -0.20 0.08 0.04 0.00 0.00 177.00 176.43 1qwu s VAL 588 N -1.70 1.85 0.19 -0.36 1.01 0.02 -4.85 120.40 116.56 1qwu s VAL 588 Ca 0.71 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 61.50 1qwu s VAL 588 Cb -0.25 -1.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.37 1qwu s VAL 588 CO 0.29 0.51 1.74 1.21 0.00 0.00 0.00 175.10 178.85 1qwu n GLU 589 N 3.91 2.75 -4.21 2.72 2.13 -1.26 -4.30 120.64 122.39 1qwu n GLU 589 Ca -0.20 0.99 -0.13 0.00 0.66 0.00 0.00 57.16 58.49 1qwu n GLU 589 Cb 0.52 -2.85 -0.10 0.00 0.27 0.00 0.00 31.44 29.28 1qwu n GLU 589 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qwu s ALA 590 N 1.40 1.24 -0.02 4.31 0.00 0.19 -4.32 121.76 124.56 1qwu s ALA 590 Ca 0.76 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1qwu s ALA 590 Cb -0.51 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1qwu s ALA 590 CO 0.33 -0.15 -0.14 -1.14 0.00 0.00 0.00 175.76 174.67 1qwu s GLN 591 N -3.70 1.29 -0.08 0.00 0.74 0.64 -1.19 119.66 117.36 1qwu s GLN 591 Ca 0.14 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 55.06 1qwu s GLN 591 Cb 0.03 -1.20 -0.03 0.00 1.10 0.00 0.00 33.01 32.92 1qwu s GLN 591 CO -0.02 0.26 -0.10 0.08 -0.55 0.00 0.00 175.29 174.96 1qwu s VAL 592 N -0.15 3.39 0.12 1.34 1.01 0.37 0.24 120.40 126.73 1qwu s VAL 592 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1qwu s VAL 592 Cb -0.08 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1qwu s VAL 592 CO 0.00 0.58 -0.07 -0.44 0.00 0.00 0.00 175.10 175.17 1qwu s SER 593 N -0.52 1.33 0.94 3.32 0.01 -0.27 -1.94 113.70 116.57 1qwu s SER 593 Ca 0.07 -1.03 -0.13 0.00 1.31 0.00 0.00 55.95 56.17 1qwu s SER 593 Cb -0.12 0.07 0.15 0.00 0.21 0.00 0.00 66.02 66.34 1qwu s SER 593 CO 0.02 -0.44 1.14 -2.84 0.41 0.00 0.00 173.24 171.52 1qwu s PRO 594 N -3.82 0.90 -0.33 12.44 0.02 -1.26 -0.52 135.00 142.43 1qwu s PRO 594 Ca 0.15 0.26 -0.10 0.00 0.02 0.00 0.00 61.00 61.33 1qwu s PRO 594 Cb 0.05 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.76 1qwu s PRO 594 CO -0.02 -2.35 0.18 0.08 -0.33 0.00 0.00 177.00 174.55 1qwu s VAL 595 N -3.26 4.62 -0.16 3.83 1.01 -1.26 -4.40 120.40 120.78 1qwu s VAL 595 Ca 0.65 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1qwu s VAL 595 Cb -0.14 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1qwu s VAL 595 CO 0.54 -0.05 0.01 0.26 0.00 0.00 0.00 175.10 175.86 1qwu s TRP 596 N 1.60 3.13 -0.03 5.22 0.52 -1.26 -1.41 118.94 126.70 1qwu s TRP 596 Ca 0.04 -0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1qwu s TRP 596 Cb -0.18 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.14 1qwu s TRP 596 CO 0.07 0.08 -0.18 -1.54 0.02 0.00 0.00 176.95 175.39 1qwu s SER 597 N 0.27 2.24 -0.07 2.95 1.04 -0.47 -4.94 113.70 114.72 1qwu s SER 597 Ca -0.00 -0.36 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1qwu s SER 597 Cb -0.13 -0.46 -0.05 0.00 0.10 0.00 0.00 66.02 65.48 1qwu s SER 597 CO 0.02 0.19 0.41 0.26 0.98 0.00 0.00 173.24 175.10 1qwu s TRP 598 N -0.19 3.60 -0.04 5.02 0.52 -1.26 -0.72 118.94 125.87 1qwu s TRP 598 Ca 0.01 0.87 0.05 0.00 0.02 0.00 0.00 56.10 57.06 1qwu s TRP 598 Cb -0.10 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.82 1qwu s TRP 598 CO 0.01 0.39 -0.19 -1.01 0.02 0.00 0.00 176.95 176.17 1qwu s HIS 599 N -0.16 1.84 -0.58 -1.98 3.76 -0.62 -4.97 115.29 112.58 1qwu s HIS 599 Ca 0.23 -0.48 -0.24 0.00 -0.15 0.00 0.00 55.06 54.42 1qwu s HIS 599 Cb -0.15 -1.22 0.05 0.00 1.11 0.00 0.00 32.58 32.37 1qwu s HIS 599 CO 0.10 -0.13 0.95 -1.58 -0.85 0.00 0.00 174.74 173.23 1qwu s HIS 600 N -0.14 2.75 -0.58 1.40 2.46 -1.26 -2.50 115.29 117.43 1qwu s HIS 600 Ca -0.01 -0.18 -0.27 0.00 0.47 0.00 0.00 55.06 55.08 1qwu s HIS 600 Cb -0.11 -4.13 -0.00 0.00 -0.13 0.00 0.00 32.58 28.21 1qwu s HIS 600 CO 0.02 -1.44 1.61 0.34 -2.47 0.00 0.00 174.74 172.79 1qwu s ASP 601 N 3.09 5.78 0.33 9.88 -1.08 0.48 -4.85 116.67 130.30 1qwu s ASP 601 Ca 0.28 0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.88 1qwu s ASP 601 Cb -0.14 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 39.95 1qwu s ASP 601 CO 0.16 -1.98 1.77 0.71 0.52 0.00 0.00 175.17 176.35 1qwu h THR 602 N 6.57 0.00 0.00 1.71 1.35 -1.93 0.21 112.91 120.82 1qwu h THR 602 Ca -0.27 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1qwu h THR 602 Cb 1.12 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1qwu h THR 602 CO 1.19 0.00 -0.25 -0.07 -0.25 0.00 0.00 175.52 176.14 1qwu h LEU 603 N 0.00 0.00 0.00 3.87 -0.00 -1.95 -3.37 115.31 113.86 1qwu h LEU 603 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1qwu h LEU 603 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1qwu h LEU 603 CO 0.00 0.64 0.00 0.35 -0.00 0.00 0.00 178.44 179.43 1qwu n THR 604 N -4.70 0.06 -3.66 0.22 -2.24 -1.22 -4.92 114.28 97.81 1qwu n THR 604 Ca -0.04 0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 1qwu n THR 604 Cb 0.14 -0.53 0.05 0.00 -2.10 0.00 0.00 70.33 67.89 1qwu n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qwu n LYS 605 N -1.38 -6.11 -4.24 -0.78 4.76 0.74 -5.01 118.16 106.14 1qwu n LYS 605 Ca 0.11 0.71 -0.13 0.00 -2.87 0.00 0.00 58.31 56.13 1qwu n LYS 605 Cb 0.28 -5.56 -0.10 0.00 -1.84 0.00 0.00 35.03 27.80 1qwu n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qwu s THR 606 N -3.44 0.60 -0.26 -0.18 -4.23 -1.17 -4.98 115.64 101.98 1qwu s THR 606 Ca 0.28 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1qwu s THR 606 Cb -0.13 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.60 1qwu s THR 606 CO 0.78 -0.43 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.72 1qwu s ILE 607 N -3.71 2.51 0.05 2.99 1.01 -1.26 -0.39 121.20 122.39 1qwu s ILE 607 Ca 0.25 -1.39 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 1qwu s ILE 607 Cb 0.06 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1qwu s ILE 607 CO 0.05 0.05 -0.03 -1.38 0.00 0.00 0.00 174.94 173.62 1qwu s HIS 608 N 1.20 0.48 0.21 3.97 -3.43 -1.04 -4.38 115.29 112.30 1qwu s HIS 608 Ca -0.05 -0.98 -0.09 0.00 -0.80 0.00 0.00 55.06 53.15 1qwu s HIS 608 Cb -0.19 -0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 30.54 1qwu s HIS 608 CO -0.05 -0.35 0.51 -1.25 -2.00 0.00 0.00 174.74 171.61 1qwu s PRO 609 N -3.49 3.76 -0.03 -0.38 0.04 -1.26 -1.58 135.00 132.06 1qwu s PRO 609 Ca 0.03 0.20 0.07 0.00 0.04 0.00 0.00 61.00 61.33 1qwu s PRO 609 Cb 0.05 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1qwu s PRO 609 CO -0.08 0.35 -0.23 -0.65 0.04 0.00 0.00 177.00 176.43 1qwu s GLN 610 N -2.77 2.03 -0.02 4.56 -1.52 0.11 -4.93 119.66 117.11 1qwu s GLN 610 Ca 0.46 -0.82 -0.03 0.00 -1.95 0.00 0.00 55.36 53.02 1qwu s GLN 610 Cb -0.11 -1.87 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 1qwu s GLN 610 CO 0.22 0.44 0.16 0.20 -0.25 0.00 0.00 175.29 176.06 1qwu s GLY 611 N -0.38 2.15 0.34 3.09 0.00 -1.26 -1.37 107.32 109.88 1qwu s GLY 611 Ca 0.04 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.73 1qwu s GLY 611 CO 0.01 -0.63 1.06 -0.45 0.00 0.00 0.00 173.10 173.08 1qwu s SER 612 N -1.79 7.04 0.00 1.64 0.15 -0.50 -4.91 113.70 115.33 1qwu s SER 612 Ca 0.25 2.12 0.20 0.00 0.70 0.00 0.00 55.95 59.22 1qwu s SER 612 Cb -0.12 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.75 1qwu s SER 612 CO 0.16 -0.29 1.13 0.35 1.20 0.00 0.00 173.24 175.79 1qwu n THR 613 N 0.57 0.02 0.00 6.45 -2.24 -1.26 -4.56 114.28 113.26 1qwu n THR 613 Ca 0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1qwu n THR 613 Cb 0.47 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1qwu n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qwu n THR 614 N 1.12 0.00 -4.19 4.28 -2.24 -1.26 -4.17 114.28 107.82 1qwu n THR 614 Ca 0.12 -0.32 -0.18 0.00 -2.27 0.00 0.00 64.05 61.39 1qwu n THR 614 Cb 0.50 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.52 1qwu n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwu s LYS 615 N -0.87 0.88 0.07 -0.78 1.02 -1.26 -4.47 119.74 114.33 1qwu s LYS 615 Ca 0.00 -1.04 -0.03 0.00 0.02 0.00 0.00 55.97 54.92 1qwu s LYS 615 Cb 0.00 -0.86 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 1qwu s LYS 615 CO 0.00 0.18 0.04 0.71 -0.92 0.00 0.00 175.35 175.36 1qwu s TYR 616 N -1.54 0.48 -0.21 3.18 1.51 -0.20 -4.12 117.35 116.45 1qwu s TYR 616 Ca 0.01 -0.98 -0.10 0.00 -1.01 0.00 0.00 57.07 55.00 1qwu s TYR 616 Cb -0.08 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 1qwu s TYR 616 CO 0.02 -0.44 0.13 1.03 -1.11 0.00 0.00 175.55 175.18 1qwu s ARG 617 N -3.92 4.09 -0.11 -0.62 0.52 0.32 -0.62 118.95 118.61 1qwu s ARG 617 Ca 0.09 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1qwu s ARG 617 Cb 0.07 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.09 1qwu s ARG 617 CO -0.09 0.19 -0.11 -1.50 0.02 0.00 0.00 175.30 173.82 1qwu s ILE 618 N 0.66 3.27 -0.06 1.52 2.07 0.20 -1.12 121.20 127.74 1qwu s ILE 618 Ca 0.07 -0.60 0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1qwu s ILE 618 Cb -0.12 -2.36 -0.00 0.00 0.13 0.00 0.00 42.46 40.11 1qwu s ILE 618 CO 0.01 0.54 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.77 1qwu s ILE 619 N -0.04 1.56 0.12 2.00 1.01 0.14 -1.41 121.20 124.58 1qwu s ILE 619 Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 1qwu s ILE 619 Cb -0.14 -1.35 0.04 0.00 0.01 0.00 0.00 42.46 41.02 1qwu s ILE 619 CO 0.04 0.45 0.42 0.72 0.00 0.00 0.00 174.94 176.56 1qwu s PHE 620 N 0.15 -0.24 -0.34 3.97 -0.12 -0.85 -0.26 117.98 120.29 1qwu s PHE 620 Ca -0.08 -0.04 -0.27 0.00 -0.05 0.00 0.00 56.93 56.49 1qwu s PHE 620 Cb -0.13 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1qwu s PHE 620 CO 0.04 -0.70 0.98 0.21 -0.05 0.00 0.00 175.22 175.69 1qwu s LYS 621 N -3.69 3.97 0.11 1.99 2.20 -1.26 -0.93 119.74 122.14 1qwu s LYS 621 Ca 0.02 0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 56.34 1qwu s LYS 621 Cb 0.01 -3.76 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 1qwu s LYS 621 CO -0.11 -0.89 0.45 0.00 -0.36 0.00 0.00 175.35 174.44 1qwu s ALA 622 N 3.50 3.68 -0.17 3.13 0.00 -0.19 -4.92 121.76 126.79 1qwu s ALA 622 Ca 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1qwu s ALA 622 Cb -0.12 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.68 1qwu s ALA 622 CO 0.16 0.54 -0.13 0.50 0.00 0.00 0.00 175.76 176.83 1qwu s ARG 623 N -2.04 2.17 -0.02 0.00 3.52 -1.26 -2.06 118.95 119.26 1qwu s ARG 623 Ca 0.36 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1qwu s ARG 623 Cb -0.14 -2.20 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1qwu s ARG 623 CO 0.19 -0.31 -0.16 0.08 -0.81 0.00 0.00 175.30 174.29 1qwu s VAL 624 N 1.46 1.30 0.97 7.11 1.01 -0.49 -4.77 120.40 127.01 1qwu s VAL 624 Ca 0.03 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1qwu s VAL 624 Cb -0.14 -1.10 0.18 0.00 0.00 0.00 0.00 36.38 35.32 1qwu s VAL 624 CO -0.10 0.37 1.12 -2.84 0.00 0.00 0.00 175.10 173.65 1qwu s PRO 625 N -0.22 0.55 0.27 2.72 0.02 -1.26 -1.78 135.00 135.30 1qwu s PRO 625 Ca 0.03 1.39 -0.31 0.00 0.02 0.00 0.00 61.00 62.13 1qwu s PRO 625 Cb -0.08 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.63 1qwu s PRO 625 CO 0.00 -2.90 1.57 -2.30 -0.33 0.00 0.00 177.00 173.04 1qwu n PRO 626 N -4.40 2.57 -4.30 5.54 -0.02 -1.26 -2.02 135.00 131.10 1qwu n PRO 626 Ca 0.10 0.91 -0.35 0.00 -2.02 0.00 0.00 63.50 62.14 1qwu n PRO 626 Cb 0.53 -2.68 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 1qwu n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1qwu n MET 627 N 2.34 -1.85 -0.94 -0.52 2.81 -0.05 -4.76 117.12 114.15 1qwu n MET 627 Ca 0.10 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1qwu n MET 627 Cb 0.35 -4.47 0.00 0.00 -0.71 0.00 0.00 33.22 28.39 1qwu n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qwu n GLY 628 N -1.73 4.94 3.08 3.03 0.00 -0.86 -4.82 105.19 108.83 1qwu n GLY 628 Ca -0.09 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1qwu n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qwu s LEU 629 N 0.00 2.30 -0.07 0.99 1.43 -0.19 -1.30 118.68 121.84 1qwu s LEU 629 Ca 0.00 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1qwu s LEU 629 Cb 0.00 -0.13 0.04 0.00 0.03 0.00 0.00 46.19 46.13 1qwu s LEU 629 CO 0.00 -0.26 0.16 0.00 0.23 0.00 0.00 176.35 176.48 1qwu s ALA 630 N -1.81 -0.32 -0.13 4.21 0.00 -0.81 -1.92 121.76 120.99 1qwu s ALA 630 Ca -0.06 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1qwu s ALA 630 Cb -0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1qwu s ALA 630 CO -0.01 -0.17 0.11 0.99 0.00 0.00 0.00 175.76 176.68 1qwu s THR 631 N 1.20 5.20 0.24 0.00 2.01 -0.51 -1.44 115.64 122.34 1qwu s THR 631 Ca -0.09 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1qwu s THR 631 Cb -0.11 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1qwu s THR 631 CO -0.06 0.59 0.01 -0.31 -0.69 0.00 0.00 174.62 174.16 1qwu s TYR 632 N -0.76 1.55 -0.05 4.92 1.51 -0.27 -3.43 117.35 120.82 1qwu s TYR 632 Ca 0.13 -0.97 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1qwu s TYR 632 Cb -0.12 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1qwu s TYR 632 CO 0.03 -0.09 -0.09 0.08 -1.11 0.00 0.00 175.55 174.36 1qwu s VAL 633 N -3.48 0.87 -0.19 0.71 1.01 -0.20 -1.05 120.40 118.06 1qwu s VAL 633 Ca 0.30 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1qwu s VAL 633 Cb 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1qwu s VAL 633 CO 0.09 0.29 0.01 -0.76 0.00 0.00 0.00 175.10 174.73 1qwu s LEU 634 N 0.61 3.37 -0.04 3.92 1.43 -0.33 -1.77 118.68 125.87 1qwu s LEU 634 Ca -0.11 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1qwu s LEU 634 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1qwu s LEU 634 CO 0.02 0.09 -0.20 -0.89 0.23 0.00 0.00 176.35 175.60 1qwu s THR 635 N 0.84 1.67 0.38 5.49 2.01 -0.19 -0.84 115.64 125.00 1qwu s THR 635 Ca 0.01 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 1qwu s THR 635 Cb -0.14 -1.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.86 1qwu s THR 635 CO 0.02 0.47 0.81 -0.51 -0.69 0.00 0.00 174.62 174.72 1qwu s ILE 636 N -0.16 4.64 0.16 1.82 2.07 -0.26 -1.06 121.20 128.40 1qwu s ILE 636 Ca -0.01 1.00 0.04 0.00 -1.41 0.00 0.00 60.65 60.27 1qwu s ILE 636 Cb -0.11 -3.65 -0.05 0.00 0.13 0.00 0.00 42.46 38.78 1qwu s ILE 636 CO 0.02 -0.34 -0.07 -0.55 -1.91 0.00 0.00 174.94 172.08 1qwu s SER 637 N -2.55 1.70 0.06 4.50 0.15 0.73 -4.93 113.70 113.36 1qwu s SER 637 Ca 0.55 -1.06 0.28 0.00 0.70 0.00 0.00 55.95 56.42 1qwu s SER 637 Cb -0.10 0.01 1.01 0.00 -1.71 0.00 0.00 66.02 65.24 1qwu s SER 637 CO 0.21 -0.39 1.81 -0.90 1.20 0.00 0.00 173.24 175.17 1qwu n ASP 638 N -0.23 0.30 -3.72 5.45 5.75 -1.26 -4.73 116.55 118.11 1qwu n ASP 638 Ca -0.09 0.44 -0.10 0.00 -0.01 0.00 0.00 54.79 55.03 1qwu n ASP 638 Cb 0.61 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 1qwu n ASP 638 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qwu s SER 639 N -3.48 0.05 -0.47 -1.12 1.04 -1.26 -5.05 113.70 103.41 1qwu s SER 639 Ca 0.12 -0.99 -0.44 0.00 0.48 0.00 0.00 55.95 55.13 1qwu s SER 639 Cb 0.17 0.66 -0.18 0.00 0.10 0.00 0.00 66.02 66.76 1qwu s SER 639 CO 0.57 -1.27 1.97 0.29 0.98 0.00 0.00 173.24 175.78 1qwu n LYS 640 N -0.44 0.20 -2.13 4.02 5.02 -1.26 -4.87 118.16 118.70 1qwu n LYS 640 Ca -0.02 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 1qwu n LYS 640 Cb 0.61 -1.65 -0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1qwu n LYS 640 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qwu s PRO 641 N 5.01 3.52 0.37 1.97 0.04 -1.26 -4.97 135.00 139.68 1qwu s PRO 641 Ca 1.13 1.09 0.07 0.00 0.04 0.00 0.00 61.00 63.34 1qwu s PRO 641 Cb -1.40 -2.07 0.78 0.00 0.04 0.00 0.00 34.50 31.86 1qwu s PRO 641 CO 0.69 -0.64 1.95 1.49 0.04 0.00 0.00 177.00 180.52 1qwu h GLU 642 N 0.52 0.69 -0.53 4.56 4.81 -1.98 -3.04 114.58 119.62 1qwu h GLU 642 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1qwu h GLU 642 Cb 1.21 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1qwu h GLU 642 CO 0.59 0.46 0.00 0.72 -0.73 0.00 0.00 179.01 180.04 1qwu n HIS 643 N -4.49 1.40 -5.14 0.92 8.25 -1.26 -4.89 115.22 110.01 1qwu n HIS 643 Ca 0.12 -0.68 -0.32 0.00 -0.26 0.00 0.00 57.72 56.58 1qwu n HIS 643 Cb 0.28 -0.29 -0.16 0.00 1.12 0.00 0.00 29.99 30.94 1qwu n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1qwu s THR 644 N -2.15 2.26 0.36 1.59 2.01 -1.15 -0.64 115.64 117.93 1qwu s THR 644 Ca 0.47 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1qwu s THR 644 Cb 0.33 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1qwu s THR 644 CO 0.19 0.55 0.15 -0.94 -0.69 0.00 0.00 174.62 173.88 1qwu s SER 645 N 0.27 4.60 -0.06 3.53 1.04 -0.33 -4.69 113.70 118.06 1qwu s SER 645 Ca -0.15 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.47 1qwu s SER 645 Cb -0.17 -0.65 -0.00 0.00 0.10 0.00 0.00 66.02 65.30 1qwu s SER 645 CO 0.08 -0.36 -0.19 -0.31 0.98 0.00 0.00 173.24 173.44 1qwu s TYR 646 N -2.47 1.96 0.48 5.02 1.51 -1.26 -0.48 117.35 122.11 1qwu s TYR 646 Ca 0.39 -0.66 -0.21 0.00 -1.01 0.00 0.00 57.07 55.58 1qwu s TYR 646 Cb -0.01 -1.33 -0.08 0.00 -0.11 0.00 0.00 41.96 40.43 1qwu s TYR 646 CO 0.23 -0.25 1.04 0.00 -1.11 0.00 0.00 175.55 175.45 1qwu s ALA 647 N 0.21 2.89 0.42 3.71 0.00 -0.82 -4.93 121.76 123.24 1qwu s ALA 647 Ca -0.10 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 1qwu s ALA 647 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1qwu s ALA 647 CO 0.04 -0.31 0.72 -1.54 0.00 0.00 0.00 175.76 174.67 1qwu s SER 648 N -1.93 6.35 -0.02 0.00 1.04 -0.35 -4.85 113.70 113.95 1qwu s SER 648 Ca 0.66 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.99 1qwu s SER 648 Cb -0.17 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.73 1qwu s SER 648 CO 0.21 -0.44 -0.05 0.20 0.98 0.00 0.00 173.24 174.13 1qwu s ASN 649 N -3.74 0.79 -0.11 7.02 0.01 -1.26 -1.35 114.94 116.30 1qwu s ASN 649 Ca 0.47 -0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.50 1qwu s ASN 649 Cb -0.10 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.36 1qwu s ASN 649 CO 0.38 0.02 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.72 1qwu s LEU 650 N 0.30 1.08 -0.33 0.60 2.96 0.97 -0.90 118.68 123.36 1qwu s LEU 650 Ca -0.03 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 1qwu s LEU 650 Cb -0.08 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1qwu s LEU 650 CO -0.00 -0.15 0.19 -0.22 -1.32 0.00 0.00 176.35 174.85 1qwu s LEU 651 N 1.77 4.31 -0.33 -0.68 1.98 -0.16 -0.04 118.68 125.52 1qwu s LEU 651 Ca 0.04 -0.51 -0.10 0.00 -2.89 0.00 0.00 54.13 50.68 1qwu s LEU 651 Cb -0.13 -2.06 0.01 0.00 0.66 0.00 0.00 46.19 44.67 1qwu s LEU 651 CO -0.07 -0.22 0.17 -0.76 -1.89 0.00 0.00 176.35 173.58 1qwu s LEU 652 N 1.65 4.34 -0.13 -0.68 1.43 0.95 -2.21 118.68 124.03 1qwu s LEU 652 Ca 0.05 -0.70 -0.33 0.00 -1.03 0.00 0.00 54.13 52.12 1qwu s LEU 652 Cb -0.17 -2.01 0.13 0.00 0.03 0.00 0.00 46.19 44.17 1qwu s LEU 652 CO 0.08 -0.27 1.10 0.00 0.23 0.00 0.00 176.35 177.50 1qwu s ARG 653 N 1.59 0.48 0.47 1.70 1.70 -0.23 -1.72 118.95 122.94 1qwu s ARG 653 Ca 0.04 -0.16 -0.12 0.00 -0.47 0.00 0.00 55.73 55.01 1qwu s ARG 653 Cb -0.18 0.22 -0.06 0.00 -0.57 0.00 0.00 34.95 34.36 1qwu s ARG 653 CO 0.06 -0.21 0.88 0.15 -1.08 0.00 0.00 175.30 175.10 1qwu s LYS 654 N -2.58 3.80 -1.10 3.89 -0.14 -1.26 -4.26 119.74 118.08 1qwu s LYS 654 Ca 0.08 0.65 -0.15 0.00 -1.36 0.00 0.00 55.97 55.19 1qwu s LYS 654 Cb -0.01 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 1qwu s LYS 654 CO -0.06 -0.19 0.85 -1.71 -0.76 0.00 0.00 175.35 173.48 1qwu n ASN 655 N -1.65 -5.89 -4.92 2.83 5.15 -1.26 -4.96 115.26 104.57 1qwu n ASN 655 Ca 0.04 -0.89 -0.27 0.00 -0.60 0.00 0.00 54.58 52.87 1qwu n ASN 655 Cb 0.54 -4.15 0.03 0.00 -0.53 0.00 0.00 39.78 35.66 1qwu n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qwu s PRO 656 N -5.31 3.00 0.15 1.20 0.04 -1.26 -5.09 135.00 127.73 1qwu s PRO 656 Ca 0.47 0.03 0.06 0.00 0.04 0.00 0.00 61.00 61.59 1qwu s PRO 656 Cb -0.12 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1qwu s PRO 656 CO 0.81 -0.64 -0.12 0.95 0.04 0.00 0.00 177.00 178.03 1qwu s THR 657 N -2.96 1.35 0.69 1.26 -4.23 -1.26 -5.14 115.64 105.36 1qwu s THR 657 Ca 0.53 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 1qwu s THR 657 Cb -0.11 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1qwu s THR 657 CO 0.45 -0.61 0.88 -1.54 -0.54 0.00 0.00 174.62 173.26 1qwu n SER 658 N -0.01 0.20 -3.44 3.99 3.41 -1.26 -5.01 113.62 111.51 1qwu n SER 658 Ca -0.11 0.68 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 1qwu n SER 658 Cb 0.59 -1.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.07 1qwu n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qwu s LEU 659 N -2.29 1.25 0.54 1.04 1.43 -1.26 -5.10 118.68 114.28 1qwu s LEU 659 Ca 0.73 -2.65 -0.19 0.00 -1.03 0.00 0.00 54.13 50.99 1qwu s LEU 659 Cb -0.36 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 1qwu s LEU 659 CO 0.51 -0.24 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 1qwu s PRO 660 N 0.53 3.49 -0.24 1.29 0.04 -1.26 -4.60 135.00 134.26 1qwu s PRO 660 Ca 0.25 1.42 0.17 0.00 0.04 0.00 0.00 61.00 62.89 1qwu s PRO 660 Cb -0.10 -2.04 0.48 0.00 0.04 0.00 0.00 34.50 32.88 1qwu s PRO 660 CO -0.10 -0.70 1.15 1.28 0.04 0.00 0.00 177.00 178.68 1qwu n LEU 661 N -1.37 2.70 0.00 -3.56 4.77 -1.26 -4.73 117.00 113.56 1qwu n LEU 661 Ca 0.10 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.53 1qwu n LEU 661 Cb 0.52 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1qwu n LEU 661 CO 0.42 1.36 0.00 0.61 -1.33 0.00 0.00 177.39 178.45 1qwu n GLY 662 N -0.56 3.22 0.00 -0.72 0.00 -1.26 -1.02 105.19 104.85 1qwu n GLY 662 Ca 0.20 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1qwu n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qwu n GLN 663 N 14.00 0.22 -1.66 1.61 6.02 -1.26 -4.84 117.38 131.46 1qwu n GLN 663 Ca 0.00 0.06 -0.57 0.00 -0.01 0.00 0.00 57.00 56.48 1qwu n GLN 663 Cb 0.00 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.69 1qwu n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1qwu n TYR 664 N -1.37 1.75 0.43 1.08 9.36 -0.19 -4.82 117.16 123.40 1qwu n TYR 664 Ca 0.09 0.66 0.06 0.00 3.32 0.00 0.00 57.90 62.04 1qwu n TYR 664 Cb 0.23 -2.37 0.28 0.00 -0.63 0.00 0.00 39.34 36.85 1qwu n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1qwu n PRO 665 N 4.04 0.01 -4.61 2.98 -0.04 -1.26 -4.71 135.00 131.41 1qwu n PRO 665 Ca 0.24 0.29 -0.33 0.00 -0.04 0.00 0.00 63.50 63.66 1qwu n PRO 665 Cb 0.13 -1.52 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 1qwu n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1qwu s GLU 666 N -3.02 3.07 0.20 0.54 2.56 -1.26 -5.10 118.70 115.70 1qwu s GLU 666 Ca 0.06 -0.83 -0.30 0.00 0.00 0.00 0.00 54.97 53.91 1qwu s GLU 666 Cb 0.08 -2.49 -0.08 0.00 2.00 0.00 0.00 34.13 33.64 1qwu s GLU 666 CO 0.24 -0.02 1.17 -0.51 -0.56 0.00 0.00 175.26 175.58 1qwu s ASP 667 N 0.84 7.13 0.36 -1.70 1.01 -1.26 -4.91 116.67 118.14 1qwu s ASP 667 Ca -0.06 2.23 -0.28 0.00 0.71 0.00 0.00 52.55 55.15 1qwu s ASP 667 Cb -0.15 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.07 1qwu s ASP 667 CO -0.02 -0.32 1.34 -0.69 0.21 0.00 0.00 175.17 175.69 1qwu s VAL 668 N -0.27 2.56 0.15 -1.27 1.01 -1.26 -4.70 120.40 116.62 1qwu s VAL 668 Ca 0.51 0.55 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1qwu s VAL 668 Cb -0.32 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1qwu s VAL 668 CO 0.38 0.12 0.13 -0.54 0.00 0.00 0.00 175.10 175.18 1qwu s LYS 669 N -1.97 2.92 0.28 2.72 3.01 -0.08 -4.99 119.74 121.62 1qwu s LYS 669 Ca 0.52 -0.82 0.06 0.00 -1.01 0.00 0.00 55.97 54.72 1qwu s LYS 669 Cb -0.41 -2.67 -0.06 0.00 -1.01 0.00 0.00 37.83 33.68 1qwu s LYS 669 CO 0.54 0.50 -0.05 -0.06 0.51 0.00 0.00 175.35 176.79 1qwu s PHE 670 N -1.68 1.96 -0.16 3.18 0.40 -1.26 -0.99 117.98 119.43 1qwu s PHE 670 Ca 0.31 -0.72 -0.35 0.00 -0.60 0.00 0.00 56.93 55.57 1qwu s PHE 670 Cb -0.10 -1.14 0.14 0.00 0.51 0.00 0.00 43.02 42.43 1qwu s PHE 670 CO 0.23 0.26 1.34 0.20 0.70 0.00 0.00 175.22 177.95 1qwu s GLY 671 N -3.45 -0.35 0.57 4.36 0.00 -0.94 -4.91 107.32 102.60 1qwu s GLY 671 Ca 0.30 1.34 -0.16 0.00 0.00 0.00 0.00 44.72 46.20 1qwu s GLY 671 CO 0.12 0.38 1.04 0.99 0.00 0.00 0.00 173.10 175.64 1qwu s ASP 672 N -2.52 6.03 0.35 1.64 1.01 -1.26 -1.07 116.67 120.86 1qwu s ASP 672 Ca 0.13 1.76 -0.26 0.00 0.71 0.00 0.00 52.55 54.89 1qwu s ASP 672 Cb 0.03 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.30 1qwu s ASP 672 CO -0.04 -1.00 1.01 -2.65 0.21 0.00 0.00 175.17 172.70 1qwu n PRO 673 N -1.85 1.39 -3.49 8.23 -0.02 -1.26 -4.68 135.00 133.32 1qwu n PRO 673 Ca 0.08 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1qwu n PRO 673 Cb 0.53 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1qwu n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1qwu s ARG 674 N -1.77 0.95 0.59 -0.52 1.70 -1.26 -5.00 118.95 113.64 1qwu s ARG 674 Ca 0.60 -0.28 -0.18 0.00 -0.47 0.00 0.00 55.73 55.40 1qwu s ARG 674 Cb -0.62 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.16 1qwu s ARG 674 CO 0.59 -0.40 1.16 -1.21 -1.08 0.00 0.00 175.30 174.36 1qwu s GLU 675 N -3.04 3.06 0.05 3.89 2.02 -1.26 -4.18 118.70 119.24 1qwu s GLU 675 Ca 0.02 1.69 -0.03 0.00 0.02 0.00 0.00 54.97 56.67 1qwu s GLU 675 Cb -0.01 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1qwu s GLU 675 CO -0.08 -1.10 0.04 0.96 0.02 0.00 0.00 175.26 175.10 1qwu s ILE 676 N -1.77 0.17 0.03 -1.63 -4.36 -0.95 -4.96 121.20 107.74 1qwu s ILE 676 Ca 0.74 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 59.81 1qwu s ILE 676 Cb -0.27 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 1qwu s ILE 676 CO 0.32 -0.75 -0.12 -0.44 0.24 0.00 0.00 174.94 174.18 1qwu s SER 677 N -2.46 1.44 0.02 4.36 0.01 -1.26 -0.05 113.70 115.76 1qwu s SER 677 Ca -0.00 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 1qwu s SER 677 Cb 0.02 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 1qwu s SER 677 CO -0.07 0.00 0.02 -0.76 0.41 0.00 0.00 173.24 172.85 1qwu s LEU 678 N -1.08 2.04 -0.10 2.44 1.43 -0.27 -4.98 118.68 118.16 1qwu s LEU 678 Ca 0.00 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1qwu s LEU 678 Cb -0.08 0.29 0.05 0.00 0.03 0.00 0.00 46.19 46.48 1qwu s LEU 678 CO 0.01 -0.34 0.20 -0.60 0.23 0.00 0.00 176.35 175.85 1qwu s ARG 679 N -1.59 0.11 -0.08 1.70 3.52 -1.26 -1.04 118.95 120.31 1qwu s ARG 679 Ca -0.14 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1qwu s ARG 679 Cb -0.08 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.11 1qwu s ARG 679 CO -0.01 -0.24 -0.04 0.08 -0.81 0.00 0.00 175.30 174.29 1qwu s VAL 680 N 1.87 3.99 0.00 7.11 1.01 -1.26 -5.00 120.40 128.11 1qwu s VAL 680 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1qwu s VAL 680 Cb -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1qwu s VAL 680 CO -0.07 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1qwu n GLY 681 N 2.26 2.63 1.26 4.51 0.00 -1.26 -1.06 105.19 113.52 1qwu n GLY 681 Ca -0.18 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1qwu n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qwu n ASN 682 N 0.83 3.81 -3.24 1.61 3.02 -1.26 -4.99 115.26 115.04 1qwu n ASN 682 Ca 0.00 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1qwu n ASN 682 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1qwu n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qwu n GLY 683 N 1.50 -3.53 3.76 7.41 0.00 -0.23 -4.96 105.19 109.14 1qwu n GLY 683 Ca 0.23 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1qwu n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qwu s PRO 684 N -2.14 1.64 -0.14 1.61 0.04 -1.26 -4.80 135.00 129.95 1qwu s PRO 684 Ca 0.00 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 1qwu s PRO 684 Cb 0.00 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1qwu s PRO 684 CO 0.00 -1.95 -0.07 0.99 0.04 0.00 0.00 177.00 176.01 1qwu s THR 685 N -3.05 3.60 -0.04 1.26 2.01 0.39 -4.24 115.64 115.58 1qwu s THR 685 Ca 0.62 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1qwu s THR 685 Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1qwu s THR 685 CO 0.55 0.51 -0.20 -0.76 -0.69 0.00 0.00 174.62 174.04 1qwu s LEU 686 N 0.23 2.39 -0.07 4.42 1.43 -0.21 -0.11 118.68 126.76 1qwu s LEU 686 Ca -0.05 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1qwu s LEU 686 Cb -0.14 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1qwu s LEU 686 CO 0.04 0.33 -0.13 0.00 0.23 0.00 0.00 176.35 176.82 1qwu s ALA 687 N -0.63 2.71 0.15 4.21 0.00 -0.45 -1.11 121.76 126.64 1qwu s ALA 687 Ca 0.10 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.22 1qwu s ALA 687 Cb -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1qwu s ALA 687 CO 0.00 0.50 -0.24 -0.06 0.00 0.00 0.00 175.76 175.96 1qwu s PHE 688 N -0.53 2.19 0.83 0.00 0.40 0.93 0.43 117.98 122.22 1qwu s PHE 688 Ca 0.07 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.89 1qwu s PHE 688 Cb -0.12 -1.14 0.10 0.00 0.51 0.00 0.00 43.02 42.37 1qwu s PHE 688 CO 0.02 0.38 1.20 -1.54 0.70 0.00 0.00 175.22 175.98 1qwu s SER 689 N -2.32 4.29 0.00 1.36 1.04 -0.04 -2.24 113.70 115.80 1qwu s SER 689 Ca 0.16 0.70 0.12 0.00 0.48 0.00 0.00 55.95 57.40 1qwu s SER 689 Cb -0.09 -1.12 0.57 0.00 0.10 0.00 0.00 66.02 65.48 1qwu s SER 689 CO 0.07 -2.03 1.29 -1.84 0.98 0.00 0.00 173.24 171.70 1qwu n GLU 690 N -3.39 0.14 -0.40 4.02 0.28 -1.26 -0.86 120.64 119.18 1qwu n GLU 690 Ca 0.09 0.19 0.10 0.00 -0.16 0.00 0.00 57.16 57.39 1qwu n GLU 690 Cb 0.61 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.28 1qwu n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1qwu n GLN 691 N -1.32 2.80 -1.05 3.44 6.02 -1.26 -4.34 117.38 121.67 1qwu n GLN 691 Ca 0.05 -2.46 -0.02 0.00 -0.01 0.00 0.00 57.00 54.56 1qwu n GLN 691 Cb 0.10 -1.60 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 1qwu n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qwu n GLY 692 N 1.44 0.53 3.73 1.08 0.00 -0.04 -4.88 105.19 107.05 1qwu n GLY 692 Ca 0.23 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1qwu n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qwu s LEU 693 N -0.37 3.76 0.41 0.99 1.43 -1.26 -4.76 118.68 118.88 1qwu s LEU 693 Ca 0.00 0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 53.03 1qwu s LEU 693 Cb 0.00 -1.97 -0.11 0.00 0.03 0.00 0.00 46.19 44.14 1qwu s LEU 693 CO 0.00 0.35 1.10 -0.11 0.23 0.00 0.00 176.35 177.92 1qwu n LEU 694 N 1.84 3.00 0.00 1.79 7.94 -1.26 -0.86 117.00 129.45 1qwu n LEU 694 Ca -0.17 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1qwu n LEU 694 Cb 0.54 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1qwu n LEU 694 CO 0.31 -1.20 -0.38 1.17 -1.11 0.00 0.00 177.39 176.18 1qwu n LYS 695 N 0.17 0.40 -3.43 1.96 4.81 0.17 -2.41 118.16 119.83 1qwu n LYS 695 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1qwu n LYS 695 Cb 0.39 -0.88 -0.02 0.00 0.02 0.00 0.00 35.03 34.53 1qwu n LYS 695 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1qwu s SER 696 N -3.59 -0.58 -0.07 3.14 1.04 -0.98 -1.41 113.70 111.25 1qwu s SER 696 Ca 0.00 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1qwu s SER 696 Cb 0.00 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1qwu s SER 696 CO 0.00 -0.93 -0.11 -0.63 0.98 0.00 0.00 173.24 172.55 1qwu s ILE 697 N -3.49 1.08 -0.28 -1.02 1.01 -0.46 -1.34 121.20 116.69 1qwu s ILE 697 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1qwu s ILE 697 Cb -0.01 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.51 1qwu s ILE 697 CO -0.11 0.34 -0.03 -1.58 0.00 0.00 0.00 174.94 173.57 1qwu s GLN 698 N 0.75 2.46 0.15 2.79 0.74 0.84 -0.29 119.66 127.11 1qwu s GLN 698 Ca -0.13 -1.23 -0.15 0.00 0.05 0.00 0.00 55.36 53.90 1qwu s GLN 698 Cb -0.15 -3.10 0.02 0.00 1.10 0.00 0.00 33.01 30.88 1qwu s GLN 698 CO 0.03 -0.57 1.73 -0.07 -0.55 0.00 0.00 175.29 175.85 1qwu h LEU 699 N 7.96 0.59 -8.83 3.68 3.38 -1.85 0.11 115.31 120.36 1qwu h LEU 699 Ca -0.23 -0.13 -0.34 0.00 0.09 0.00 0.00 57.88 57.27 1qwu h LEU 699 Cb 1.06 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 1qwu h LEU 699 CO 0.53 0.55 -0.64 0.42 0.09 0.00 0.00 178.44 179.39 1qwu s THR 700 N -5.71 0.75 0.25 0.22 -4.23 -1.26 -4.15 115.64 101.50 1qwu s THR 700 Ca -0.13 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.24 1qwu s THR 700 Cb 0.11 -2.40 0.33 0.00 1.34 0.00 0.00 72.50 71.88 1qwu s THR 700 CO 0.75 -0.24 1.56 1.56 -0.54 0.00 0.00 174.62 177.71 1qwu h GLN 701 N 2.50 -0.01 0.09 3.99 1.08 -1.92 -3.01 115.11 117.83 1qwu h GLN 701 Ca -0.38 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.68 1qwu h GLN 701 Cb 1.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1qwu h GLN 701 CO 0.63 -0.01 -0.66 0.38 -0.95 0.00 0.00 178.83 178.22 1qwu h ASP 702 N -0.01 0.29 -2.11 1.46 2.03 -1.99 -3.49 116.42 112.61 1qwu h ASP 702 Ca 0.40 -0.93 -0.55 0.00 -0.73 0.00 0.00 57.03 55.21 1qwu h ASP 702 Cb 0.65 -0.09 0.24 0.00 -0.83 0.00 0.00 39.33 39.29 1qwu h ASP 702 CO -0.97 1.30 -1.77 -1.54 -1.03 0.00 0.00 179.24 175.23 1qwu n SER 703 N -4.27 -5.66 -4.82 4.15 3.41 -1.14 -4.95 113.62 100.34 1qwu n SER 703 Ca -0.15 0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.35 1qwu n SER 703 Cb 0.72 -0.79 0.08 0.00 -0.26 0.00 0.00 64.21 63.96 1qwu n SER 703 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1qwu s PRO 704 N -2.14 2.17 -0.78 4.33 0.04 -1.26 -4.81 135.00 132.55 1qwu s PRO 704 Ca 0.41 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 1qwu s PRO 704 Cb -0.18 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1qwu s PRO 704 CO 0.81 -1.54 1.10 -1.01 0.04 0.00 0.00 177.00 176.40 1qwu s HIS 705 N -3.22 2.72 -0.12 0.56 3.76 -1.26 -4.33 115.29 113.39 1qwu s HIS 705 Ca 0.60 -0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 1qwu s HIS 705 Cb -0.14 -4.38 -0.03 0.00 1.11 0.00 0.00 32.58 29.14 1qwu s HIS 705 CO 0.53 -1.70 1.45 0.08 -0.85 0.00 0.00 174.74 174.26 1qwu s VAL 706 N 4.02 3.95 -0.25 -0.90 1.01 0.61 -4.74 120.40 124.11 1qwu s VAL 706 Ca 0.29 1.15 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1qwu s VAL 706 Cb -0.11 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1qwu s VAL 706 CO 0.03 -0.12 2.17 -2.65 0.00 0.00 0.00 175.10 174.53 1qwu n PRO 707 N 6.90 1.68 -3.61 2.72 -0.02 -1.26 -1.36 135.00 140.05 1qwu n PRO 707 Ca 0.16 0.48 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 1qwu n PRO 707 Cb 0.44 -2.88 -0.16 0.00 -0.02 0.00 0.00 33.50 30.88 1qwu n PRO 707 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qwu s VAL 708 N 7.40 -0.02 -0.10 -1.45 1.01 -0.50 -4.13 120.40 122.62 1qwu s VAL 708 Ca 1.03 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1qwu s VAL 708 Cb -0.57 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1qwu s VAL 708 CO 0.42 -0.38 -0.17 -1.00 0.00 0.00 0.00 175.10 173.97 1qwu s HIS 709 N 2.10 2.68 0.01 5.22 3.76 -0.37 -2.78 115.29 125.91 1qwu s HIS 709 Ca 0.03 -0.65 -0.14 0.00 -0.15 0.00 0.00 55.06 54.15 1qwu s HIS 709 Cb -0.16 -1.74 -0.06 0.00 1.11 0.00 0.00 32.58 31.73 1qwu s HIS 709 CO -0.15 -0.18 0.41 -0.06 -0.85 0.00 0.00 174.74 173.90 1qwu s PHE 710 N 0.07 3.71 -0.02 1.40 2.99 -1.01 -1.05 117.98 124.06 1qwu s PHE 710 Ca -0.07 0.97 -0.10 0.00 0.00 0.00 0.00 56.93 57.72 1qwu s PHE 710 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 43.02 40.61 1qwu s PHE 710 CO 0.05 0.63 0.22 0.21 -0.00 0.00 0.00 175.22 176.32 1qwu s LYS 711 N -1.21 0.50 -0.09 0.44 2.20 -0.05 -4.72 119.74 116.82 1qwu s LYS 711 Ca 0.25 -0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 1qwu s LYS 711 Cb -0.16 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.36 1qwu s LYS 711 CO 0.14 -0.12 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.78 1qwu s PHE 712 N -1.05 2.67 0.33 4.03 0.40 -1.26 -0.49 117.98 122.62 1qwu s PHE 712 Ca -0.11 -0.58 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1qwu s PHE 712 Cb -0.06 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1qwu s PHE 712 CO 0.02 -0.13 0.13 -0.51 0.70 0.00 0.00 175.22 175.44 1qwu s LEU 713 N -0.05 1.83 -0.01 -0.37 1.02 -0.48 -1.52 118.68 119.10 1qwu s LEU 713 Ca -0.04 -1.55 0.01 0.00 0.02 0.00 0.00 54.13 52.57 1qwu s LEU 713 Cb -0.14 0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.10 1qwu s LEU 713 CO 0.04 -0.85 -0.04 -1.59 0.02 0.00 0.00 176.35 173.93 1qwu s LYS 714 N -3.81 0.39 0.07 1.70 -2.85 -0.02 -1.40 119.74 113.81 1qwu s LYS 714 Ca 0.33 -0.12 0.01 0.00 -1.00 0.00 0.00 55.97 55.19 1qwu s LYS 714 Cb 0.05 -0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 1qwu s LYS 714 CO 0.16 0.05 0.16 0.71 0.10 0.00 0.00 175.35 176.53 1qwu s TYR 715 N 0.12 3.39 0.00 1.78 1.51 -0.13 -1.46 117.35 122.55 1qwu s TYR 715 Ca -0.01 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 1qwu s TYR 715 Cb -0.04 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1qwu s TYR 715 CO -0.00 0.56 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 1qwu n GLY 716 N 0.36 4.56 3.25 0.71 0.00 -1.26 -1.60 105.19 111.21 1qwu n GLY 716 Ca -0.06 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 1qwu n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qwu s VAL 717 N 1.25 1.51 0.25 1.61 1.01 -1.26 -3.54 120.40 121.24 1qwu s VAL 717 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 1qwu s VAL 717 Cb 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1qwu s VAL 717 CO 0.00 -0.12 1.24 -0.13 0.00 0.00 0.00 175.10 176.09 1qwu s ARG 718 N -1.88 4.46 0.41 2.72 0.52 -1.25 -4.63 118.95 119.30 1qwu s ARG 718 Ca 0.04 2.01 0.24 0.00 -0.52 0.00 0.00 55.73 57.50 1qwu s ARG 718 Cb -0.10 -3.17 0.49 0.00 0.52 0.00 0.00 34.95 32.69 1qwu s ARG 718 CO 0.04 -0.10 1.66 0.66 0.02 0.00 0.00 175.30 177.58 1qwu h SER 719 N 4.46 0.00 -4.70 0.23 4.64 -1.98 -3.45 113.55 112.76 1qwu h SER 719 Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 1qwu h SER 719 Cb 1.22 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.08 1qwu h SER 719 CO 0.71 0.00 -0.73 -1.38 -0.87 0.00 0.00 176.83 174.57 1qwu s HIS 720 N -3.23 0.49 0.00 4.77 0.00 -1.26 -5.09 115.29 110.98 1qwu s HIS 720 Ca 0.07 -0.44 0.00 0.00 -3.00 0.00 0.00 55.06 51.69 1qwu s HIS 720 Cb 0.06 -0.31 0.00 0.00 -4.00 0.00 0.00 32.58 28.34 1qwu s HIS 720 CO 0.65 -0.10 0.00 0.41 -1.00 0.00 0.00 174.74 174.69 1qwu n GLY 721 N 1.73 -1.81 3.75 -1.38 0.00 -1.26 -4.94 105.19 101.27 1qwu n GLY 721 Ca -0.22 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1qwu n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qwu s ASP 722 N -4.00 7.06 -0.08 1.61 -0.00 -1.26 -5.02 116.67 114.99 1qwu s ASP 722 Ca 0.00 2.35 -0.07 0.00 -0.00 0.00 0.00 52.55 54.82 1qwu s ASP 722 Cb 0.00 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1qwu s ASP 722 CO 0.00 -0.35 0.19 -0.13 -0.00 0.00 0.00 175.17 174.88 1qwu s ARG 723 N -0.84 3.51 0.51 8.23 3.00 -1.26 -4.60 118.95 127.50 1qwu s ARG 723 Ca 0.50 -0.09 -0.22 0.00 0.00 0.00 0.00 55.73 55.92 1qwu s ARG 723 Cb -0.34 -3.17 -0.06 0.00 0.00 0.00 0.00 34.95 31.38 1qwu s ARG 723 CO 0.41 0.74 1.26 -1.12 0.00 0.00 0.00 175.30 176.59 1qwu s SER 724 N -1.24 5.67 0.00 0.23 0.01 -1.26 -4.56 113.70 112.55 1qwu s SER 724 Ca 0.19 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1qwu s SER 724 Cb -0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1qwu s SER 724 CO 0.09 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.07 1qwu n GLY 725 N 0.58 4.48 0.30 3.44 0.00 -0.85 -4.54 105.19 108.62 1qwu n GLY 725 Ca 0.09 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 45.02 1qwu n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwu h ALA 726 N 1.35 1.71 0.00 4.61 0.00 -1.85 -3.28 119.26 121.80 1qwu h ALA 726 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1qwu h ALA 726 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1qwu h ALA 726 CO 0.00 0.26 -1.58 0.66 0.00 0.00 0.00 179.25 178.59 1qwu n TYR 727 N -4.47 0.65 -3.15 0.00 4.02 -1.26 -2.61 117.16 110.34 1qwu n TYR 727 Ca 0.02 0.28 -0.39 0.00 -0.01 0.00 0.00 57.90 57.81 1qwu n TYR 727 Cb 0.07 -1.01 -0.06 0.00 -0.02 0.00 0.00 39.34 38.32 1qwu n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1qwu s LEU 728 N -7.79 4.54 -0.35 7.72 1.43 -1.24 -1.25 118.68 121.73 1qwu s LEU 728 Ca -0.31 1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 54.14 1qwu s LEU 728 Cb 0.08 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.31 1qwu s LEU 728 CO 0.52 0.23 0.12 0.12 0.23 0.00 0.00 176.35 177.56 1qwu s PHE 729 N -0.99 3.33 -0.58 0.29 5.99 -1.13 -2.00 117.98 122.89 1qwu s PHE 729 Ca 0.32 -1.72 0.06 0.00 0.00 0.00 0.00 56.93 55.59 1qwu s PHE 729 Cb -0.21 -2.50 0.23 0.00 0.00 0.00 0.00 43.02 40.54 1qwu s PHE 729 CO 0.22 -0.81 0.64 1.28 -0.00 0.00 0.00 175.22 176.55 1qwu n LEU 730 N 4.74 2.64 -4.75 6.12 4.77 -1.26 -4.68 117.00 124.58 1qwu n LEU 730 Ca -0.10 -5.19 -0.38 0.00 -0.03 0.00 0.00 56.01 50.31 1qwu n LEU 730 Cb 0.43 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1qwu n LEU 730 CO 0.32 2.01 0.93 -2.16 -1.33 0.00 0.00 177.39 177.16 1qwu s PRO 731 N -1.92 3.01 -1.17 3.23 0.04 -1.26 -3.95 135.00 132.98 1qwu s PRO 731 Ca 0.36 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.46 1qwu s PRO 731 Cb 0.12 -2.11 0.18 0.00 0.04 0.00 0.00 34.50 32.74 1qwu s PRO 731 CO -0.06 -1.25 2.23 0.27 0.04 0.00 0.00 177.00 178.22 1qwu n ASN 732 N -1.30 7.74 0.00 6.66 6.94 -1.23 -4.76 115.26 129.30 1qwu n ASN 732 Ca 0.12 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.35 1qwu n ASN 732 Cb 0.47 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.60 1qwu n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qwu n GLY 733 N 1.06 0.39 3.65 4.83 0.00 -1.26 -4.81 105.19 109.05 1qwu n GLY 733 Ca 0.57 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1qwu n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qwu n PRO 734 N 0.19 0.12 -1.89 1.61 -0.02 -1.26 -4.79 135.00 128.96 1qwu n PRO 734 Ca 0.00 0.11 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 1qwu n PRO 734 Cb 0.00 -2.34 0.04 0.00 -0.02 0.00 0.00 33.50 31.17 1qwu n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qwu s ALA 735 N -2.16 2.52 -0.01 3.55 0.00 -1.26 -4.93 121.76 119.47 1qwu s ALA 735 Ca 0.71 0.65 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1qwu s ALA 735 Cb -0.29 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1qwu s ALA 735 CO 0.53 -1.16 -0.06 -1.12 0.00 0.00 0.00 175.76 173.95 1qwu s SER 736 N -2.31 4.68 0.52 0.00 0.01 -0.54 -4.85 113.70 111.21 1qwu s SER 736 Ca 0.69 -0.12 -0.23 0.00 1.31 0.00 0.00 55.95 57.61 1qwu s SER 736 Cb -0.22 -1.12 -0.06 0.00 0.21 0.00 0.00 66.02 64.84 1qwu s SER 736 CO 0.37 0.29 1.37 -2.84 0.41 0.00 0.00 173.24 172.85 1qwu s PRO 737 N -1.36 3.29 0.07 12.44 0.02 -1.26 -0.84 135.00 147.35 1qwu s PRO 737 Ca 0.17 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.15 1qwu s PRO 737 Cb -0.11 -2.36 -0.05 0.00 0.02 0.00 0.00 34.50 32.00 1qwu s PRO 737 CO 0.07 -1.08 1.08 0.08 -0.33 0.00 0.00 177.00 176.81 1qwu s VAL 738 N -1.28 4.35 -0.18 3.83 1.01 -0.57 -4.76 120.40 122.80 1qwu s VAL 738 Ca 0.69 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 64.15 1qwu s VAL 738 Cb -0.41 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 1qwu s VAL 738 CO 0.49 0.18 1.21 -1.61 0.00 0.00 0.00 175.10 175.38 1qwu s GLU 739 N 0.66 4.24 0.07 2.72 2.02 -1.26 -4.91 118.70 122.24 1qwu s GLU 739 Ca 0.53 1.60 0.24 0.00 0.02 0.00 0.00 54.97 57.36 1qwu s GLU 739 Cb -0.26 -3.74 0.39 0.00 0.10 0.00 0.00 34.13 30.63 1qwu s GLU 739 CO 0.30 -0.69 1.34 1.28 0.02 0.00 0.00 175.26 177.51 1qwu n LEU 740 N 6.53 0.61 0.00 1.80 4.77 -1.26 -4.80 117.00 124.65 1qwu n LEU 740 Ca 0.13 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1qwu n LEU 740 Cb 0.45 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1qwu n LEU 740 CO 0.55 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1qwu n GLY 741 N 1.39 1.75 2.97 -0.72 0.00 -1.26 -3.54 105.19 105.78 1qwu n GLY 741 Ca 0.04 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1qwu n GLY 741 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qwu s GLN 742 N 0.00 2.49 0.63 1.61 0.74 -1.26 -5.09 119.66 118.79 1qwu s GLN 742 Ca 0.00 -3.07 -0.18 0.00 0.05 0.00 0.00 55.36 52.16 1qwu s GLN 742 Cb 0.00 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 1qwu s GLN 742 CO 0.00 -1.23 1.22 -1.25 -0.55 0.00 0.00 175.29 173.49 1qwu s PRO 743 N -1.00 2.72 -0.05 1.67 0.04 -1.23 -4.96 135.00 132.19 1qwu s PRO 743 Ca 0.22 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.83 1qwu s PRO 743 Cb -0.12 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1qwu s PRO 743 CO -0.10 -1.41 0.92 0.08 0.04 0.00 0.00 177.00 176.52 1qwu s VAL 744 N -1.66 4.89 -0.13 -0.36 1.01 -1.26 -4.85 120.40 118.04 1qwu s VAL 744 Ca 0.78 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.66 1qwu s VAL 744 Cb -0.31 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1qwu s VAL 744 CO 0.37 0.13 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1qwu s VAL 745 N 1.28 2.65 -0.19 2.92 1.01 -0.70 -2.52 120.40 124.85 1qwu s VAL 745 Ca 0.47 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1qwu s VAL 745 Cb -0.19 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1qwu s VAL 745 CO 0.22 0.53 -0.04 -0.22 0.00 0.00 0.00 175.10 175.60 1qwu s LEU 746 N 0.53 3.06 -0.18 3.92 2.96 0.70 -0.04 118.68 129.62 1qwu s LEU 746 Ca -0.11 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1qwu s LEU 746 Cb -0.16 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1qwu s LEU 746 CO 0.04 0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.34 1qwu s VAL 747 N 0.99 2.95 -0.14 1.68 1.01 0.95 -1.08 120.40 126.75 1qwu s VAL 747 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1qwu s VAL 747 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1qwu s VAL 747 CO 0.01 0.48 -0.15 -0.89 0.00 0.00 0.00 175.10 174.55 1qwu s THR 748 N 1.12 2.80 -0.16 3.92 2.01 -0.46 -0.02 115.64 124.84 1qwu s THR 748 Ca 0.01 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1qwu s THR 748 Cb -0.14 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1qwu s THR 748 CO -0.03 0.52 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.49 1qwu s LYS 749 N 0.58 2.73 0.25 4.92 2.20 -0.46 -0.76 119.74 129.21 1qwu s LYS 749 Ca -0.09 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1qwu s LYS 749 Cb -0.16 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 1qwu s LYS 749 CO 0.03 -0.20 0.06 0.20 -0.36 0.00 0.00 175.35 175.09 1qwu s GLY 750 N 1.31 1.70 0.20 5.54 0.00 -0.93 -1.21 107.32 113.92 1qwu s GLY 750 Ca 0.04 -1.85 0.05 0.00 0.00 0.00 0.00 44.72 42.96 1qwu s GLY 750 CO -0.11 -1.63 1.46 1.70 0.00 0.00 0.00 173.10 174.51 1qwu h LYS 751 N 2.39 0.13 0.00 2.90 3.64 -1.97 -3.34 116.57 120.32 1qwu h LYS 751 Ca -0.38 -0.12 -0.36 0.00 -1.27 0.00 0.00 60.65 58.51 1qwu h LYS 751 Cb 1.24 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 1qwu h LYS 751 CO 0.63 0.84 -2.37 1.28 -2.27 0.00 0.00 179.45 177.57 1qwu n LEU 752 N -3.69 0.17 -3.71 5.20 4.77 -1.26 -4.52 117.00 113.95 1qwu n LEU 752 Ca -0.02 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1qwu n LEU 752 Cb 0.74 0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 42.13 1qwu n LEU 752 CO 0.46 0.51 0.01 -0.70 -1.33 0.00 0.00 177.39 176.34 1qwu s GLU 753 N -2.48 0.35 0.26 3.23 2.12 -1.25 -4.42 118.70 116.50 1qwu s GLU 753 Ca -0.11 0.71 0.07 0.00 0.36 0.00 0.00 54.97 55.99 1qwu s GLU 753 Cb 0.06 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1qwu s GLU 753 CO 0.80 -0.15 -0.08 -1.12 -0.54 0.00 0.00 175.26 174.17 1qwu s SER 754 N 1.26 2.70 0.12 -1.70 0.01 -0.38 -2.20 113.70 113.51 1qwu s SER 754 Ca -0.09 -1.14 -0.24 0.00 1.31 0.00 0.00 55.95 55.79 1qwu s SER 754 Cb -0.08 -0.16 0.08 0.00 0.21 0.00 0.00 66.02 66.07 1qwu s SER 754 CO -0.11 -0.29 0.68 -0.94 0.41 0.00 0.00 173.24 172.99 1qwu s SER 755 N -3.41 -0.50 -0.09 2.44 1.04 0.06 -0.27 113.70 112.97 1qwu s SER 755 Ca 0.28 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1qwu s SER 755 Cb 0.02 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1qwu s SER 755 CO 0.10 -0.90 -0.08 -0.69 0.98 0.00 0.00 173.24 172.66 1qwu s VAL 756 N -3.60 0.94 -0.01 5.02 1.01 -0.09 -1.36 120.40 122.32 1qwu s VAL 756 Ca 0.03 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1qwu s VAL 756 Cb -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1qwu s VAL 756 CO -0.11 0.34 -0.22 -0.44 0.00 0.00 0.00 175.10 174.68 1qwu s SER 757 N 1.40 2.54 -0.00 3.32 0.01 -0.24 -0.43 113.70 120.29 1qwu s SER 757 Ca -0.01 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 1qwu s SER 757 Cb -0.13 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1qwu s SER 757 CO -0.04 0.25 0.01 0.54 0.41 0.00 0.00 173.24 174.41 1qwu s VAL 758 N -0.55 -0.00 -0.69 3.43 0.11 -0.22 -0.22 120.40 122.26 1qwu s VAL 758 Ca 0.08 0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.94 1qwu s VAL 758 Cb -0.08 -0.02 0.10 0.00 -1.53 0.00 0.00 36.38 34.84 1qwu s VAL 758 CO -0.00 0.00 0.89 -0.83 -3.33 0.00 0.00 175.10 171.83 1qwu s GLY 759 N 0.06 1.66 0.33 6.54 0.00 -1.05 -1.19 107.32 113.68 1qwu s GLY 759 Ca -0.00 -2.20 0.07 0.00 0.00 0.00 0.00 44.72 42.58 1qwu s GLY 759 CO -0.00 1.85 0.44 1.08 0.00 0.00 0.00 173.10 176.47 1qwu s LEU 760 N 3.18 3.93 0.01 0.66 1.43 0.23 -4.34 118.68 123.77 1qwu s LEU 760 Ca 0.20 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1qwu s LEU 760 Cb -0.17 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 1qwu s LEU 760 CO 0.05 -0.41 1.72 -2.84 0.23 0.00 0.00 176.35 175.09 1qwu s PRO 761 N -4.14 4.18 0.00 1.29 0.02 -1.26 -2.02 135.00 133.06 1qwu s PRO 761 Ca 0.44 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1qwu s PRO 761 Cb -0.09 -3.88 0.00 0.00 0.02 0.00 0.00 34.50 30.55 1qwu s PRO 761 CO 0.30 -0.83 0.00 0.43 -0.33 0.00 0.00 177.00 176.58 1qwu n SER 762 N 6.65 0.00 -3.70 2.53 7.64 -1.26 -4.98 113.62 120.51 1qwu n SER 762 Ca 0.17 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 1qwu n SER 762 Cb 0.42 -0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 63.35 1qwu n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qwu s VAL 763 N -2.97 -0.17 -0.41 0.44 1.01 -0.86 -0.83 120.40 116.62 1qwu s VAL 763 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 1qwu s VAL 763 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1qwu s VAL 763 CO 0.00 0.07 0.36 -0.69 0.00 0.00 0.00 175.10 174.84 1qwu s VAL 764 N 1.66 5.18 -0.18 2.92 1.01 -0.79 -0.60 120.40 129.61 1qwu s VAL 764 Ca -0.06 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1qwu s VAL 764 Cb -0.10 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1qwu s VAL 764 CO -0.10 -0.33 0.24 -2.28 0.00 0.00 0.00 175.10 172.63 1qwu s HIS 765 N 1.91 3.44 -0.04 5.22 5.04 -0.33 -0.86 115.29 129.66 1qwu s HIS 765 Ca 0.09 0.50 0.01 0.00 -1.54 0.00 0.00 55.06 54.12 1qwu s HIS 765 Cb -0.18 -2.28 0.02 0.00 0.04 0.00 0.00 32.58 30.18 1qwu s HIS 765 CO 0.12 0.25 -0.04 -0.65 -2.34 0.00 0.00 174.74 172.08 1qwu s GLN 766 N 0.44 0.77 -0.25 2.88 -0.21 0.41 -1.06 119.66 122.63 1qwu s GLN 766 Ca 0.13 -0.10 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 1qwu s GLN 766 Cb -0.12 -0.78 0.01 0.00 1.00 0.00 0.00 33.01 33.11 1qwu s GLN 766 CO 0.02 -0.07 -0.01 0.99 -2.12 0.00 0.00 175.29 174.10 1qwu s THR 767 N 0.84 3.43 -0.10 -0.19 2.01 0.43 -0.94 115.64 121.13 1qwu s THR 767 Ca -0.11 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 1qwu s THR 767 Cb -0.14 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 1qwu s THR 767 CO 0.00 0.26 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.48 1qwu s ILE 768 N 1.45 3.58 -0.10 1.82 1.01 0.49 -0.92 121.20 128.53 1qwu s ILE 768 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1qwu s ILE 768 Cb -0.16 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1qwu s ILE 768 CO -0.02 0.56 -0.22 -0.04 0.00 0.00 0.00 174.94 175.22 1qwu s MET 769 N -0.27 2.84 -0.02 2.79 -1.94 0.62 -0.73 119.30 122.60 1qwu s MET 769 Ca 0.03 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 1qwu s MET 769 Cb -0.13 -2.18 0.04 0.00 2.01 0.00 0.00 34.83 34.57 1qwu s MET 769 CO 0.03 0.14 0.83 0.54 -0.01 0.00 0.00 175.02 176.54 1qwu n ARG 770 N 3.63 1.29 0.00 2.03 1.74 -1.26 -1.25 116.66 122.83 1qwu n ARG 770 Ca -0.20 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.68 1qwu n ARG 770 Cb 0.53 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 1qwu n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qwu n GLY 771 N -0.37 2.01 0.00 -0.13 0.00 -1.26 -4.87 105.19 100.57 1qwu n GLY 771 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qwu n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwu n GLY 772 N -0.02 5.29 3.67 -0.02 0.00 -1.26 -3.32 105.19 109.52 1qwu n GLY 772 Ca 0.00 -1.42 -0.45 0.00 0.00 0.00 0.00 46.02 44.15 1qwu n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwu n ALA 773 N -3.00 1.07 -1.29 4.61 0.00 -1.26 -4.65 120.51 115.98 1qwu n ALA 773 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 1qwu n ALA 773 Cb 0.00 -2.26 0.09 0.00 0.00 0.00 0.00 19.45 17.28 1qwu n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qwu s PRO 774 N -0.61 2.32 -0.09 0.00 0.04 -1.24 -4.79 135.00 130.63 1qwu s PRO 774 Ca 0.66 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1qwu s PRO 774 Cb -0.64 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 1qwu s PRO 774 CO 0.51 -1.59 0.03 -2.00 0.04 0.00 0.00 177.00 174.00 1qwu s GLU 775 N -4.92 3.07 -0.08 4.56 2.12 0.09 -1.60 118.70 121.94 1qwu s GLU 775 Ca 0.61 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.61 1qwu s GLU 775 Cb -0.17 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 1qwu s GLU 775 CO 0.56 0.72 -0.18 0.42 -0.54 0.00 0.00 175.26 176.23 1qwu s ILE 776 N -0.93 2.63 -0.06 -3.70 -1.09 0.11 -0.38 121.20 117.80 1qwu s ILE 776 Ca 0.14 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1qwu s ILE 776 Cb -0.11 -2.03 0.01 0.00 -1.58 0.00 0.00 42.46 38.74 1qwu s ILE 776 CO 0.03 0.56 -0.13 -0.13 -1.23 0.00 0.00 174.94 174.04 1qwu s ARG 777 N -0.17 1.67 -0.20 2.79 0.52 -0.11 -0.24 118.95 123.21 1qwu s ARG 777 Ca -0.02 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1qwu s ARG 777 Cb -0.14 -1.40 0.02 0.00 0.52 0.00 0.00 34.95 33.95 1qwu s ARG 777 CO 0.04 0.09 -0.16 -0.80 0.02 0.00 0.00 175.30 174.49 1qwu s ASN 778 N 0.45 3.52 -0.64 0.23 0.01 0.36 -0.45 114.94 118.42 1qwu s ASN 778 Ca -0.11 -0.72 -0.21 0.00 -0.71 0.00 0.00 52.86 51.11 1qwu s ASN 778 Cb -0.14 -1.53 0.09 0.00 0.41 0.00 0.00 41.25 40.07 1qwu s ASN 778 CO 0.03 -0.04 0.86 -0.22 -1.51 0.00 0.00 177.10 176.23 1qwu s LEU 779 N 1.29 4.85 -0.30 0.60 2.96 -0.04 -0.63 118.68 127.41 1qwu s LEU 779 Ca 0.03 -1.23 -0.16 0.00 -0.22 0.00 0.00 54.13 52.55 1qwu s LEU 779 Cb -0.14 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 1qwu s LEU 779 CO -0.10 -1.29 0.44 -0.69 -1.32 0.00 0.00 176.35 173.39 1qwu s VAL 780 N 3.41 5.11 -0.41 1.68 1.01 0.19 -1.88 120.40 129.51 1qwu s VAL 780 Ca 0.18 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1qwu s VAL 780 Cb -0.19 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.51 1qwu s VAL 780 CO 0.08 0.02 0.22 -0.62 0.00 0.00 0.00 175.10 174.79 1qwu s ASP 781 N 1.66 3.56 0.00 3.32 3.68 -0.01 -1.49 116.67 127.39 1qwu s ASP 781 Ca 0.17 -2.45 0.17 0.00 2.13 0.00 0.00 52.55 52.57 1qwu s ASP 781 Cb -0.16 -0.90 1.00 0.00 -1.45 0.00 0.00 42.92 41.41 1qwu s ASP 781 CO 0.11 -0.29 1.43 0.00 0.13 0.00 0.00 175.17 176.55 1qwu n ILE 782 N 3.76 0.07 0.00 4.11 3.06 -1.26 -4.33 119.36 124.77 1qwu n ILE 782 Ca 0.08 0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 1qwu n ILE 782 Cb 0.36 -0.75 0.00 0.00 0.54 0.00 0.00 39.64 39.79 1qwu n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1qwu n GLY 783 N 0.08 2.46 1.13 4.50 0.00 -1.26 -1.89 105.19 110.20 1qwu n GLY 783 Ca 0.12 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.36 1qwu n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qwu n SER 784 N 2.20 3.56 -4.56 1.61 3.41 -1.26 -4.90 113.62 113.67 1qwu n SER 784 Ca 0.00 -3.29 -0.31 0.00 -0.26 0.00 0.00 58.87 55.01 1qwu n SER 784 Cb 0.00 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.30 1qwu n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qwu s LEU 785 N -2.99 3.27 0.66 1.04 1.43 -0.79 -4.94 118.68 116.35 1qwu s LEU 785 Ca 0.45 -1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 1qwu s LEU 785 Cb 0.38 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1qwu s LEU 785 CO 0.07 -2.41 1.20 -1.81 0.23 0.00 0.00 176.35 173.63 1qwu s ASP 786 N 6.82 4.74 -1.40 2.29 1.11 -1.26 -3.55 116.67 125.42 1qwu s ASP 786 Ca 0.63 2.34 -0.02 0.00 0.18 0.00 0.00 52.55 55.69 1qwu s ASP 786 Cb -0.03 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1qwu s ASP 786 CO 0.00 -1.90 0.41 0.59 1.18 0.00 0.00 175.17 175.46 1qwu n ASN 787 N -2.17 -0.59 -4.03 0.27 3.02 0.70 -4.97 115.26 107.50 1qwu n ASN 787 Ca 0.13 -1.04 -0.16 0.00 -0.03 0.00 0.00 54.58 53.48 1qwu n ASN 787 Cb 0.50 -2.93 -0.14 0.00 -0.61 0.00 0.00 39.78 36.60 1qwu n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qwu s THR 788 N -3.96 0.63 -0.11 3.41 2.01 -0.80 -4.01 115.64 112.82 1qwu s THR 788 Ca 0.04 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1qwu s THR 788 Cb -0.02 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1qwu s THR 788 CO 0.90 -0.01 -0.09 -1.61 -0.69 0.00 0.00 174.62 173.12 1qwu s GLU 789 N -0.68 1.57 -0.17 4.92 2.02 -0.62 -1.34 118.70 124.40 1qwu s GLU 789 Ca -0.01 -0.29 -0.16 0.00 0.02 0.00 0.00 54.97 54.53 1qwu s GLU 789 Cb -0.05 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 1qwu s GLU 789 CO 0.00 -0.21 0.41 0.42 0.02 0.00 0.00 175.26 175.90 1qwu s ILE 790 N 1.51 5.20 0.07 -1.63 1.01 -0.41 -0.96 121.20 126.00 1qwu s ILE 790 Ca 0.01 0.77 0.10 0.00 0.00 0.00 0.00 60.65 61.53 1qwu s ILE 790 Cb -0.13 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1qwu s ILE 790 CO -0.06 0.28 -0.26 0.54 0.00 0.00 0.00 174.94 175.44 1qwu s VAL 791 N 1.05 2.10 -0.18 2.92 0.11 -0.49 0.35 120.40 126.25 1qwu s VAL 791 Ca 0.21 -1.49 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 1qwu s VAL 791 Cb -0.15 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1qwu s VAL 791 CO 0.08 0.24 -0.06 -0.32 -3.33 0.00 0.00 175.10 171.71 1qwu s MET 792 N -1.51 3.46 0.10 1.54 1.75 -0.47 -1.39 119.30 122.79 1qwu s MET 792 Ca 0.12 -0.61 0.10 0.00 -1.25 0.00 0.00 55.69 54.04 1qwu s MET 792 Cb -0.10 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.65 1qwu s MET 792 CO 0.03 0.03 -0.25 0.50 -0.65 0.00 0.00 175.02 174.68 1qwu s ARG 793 N 0.89 1.41 -0.14 4.11 3.52 0.35 -1.09 118.95 128.01 1qwu s ARG 793 Ca -0.01 -1.24 0.01 0.00 -0.13 0.00 0.00 55.73 54.35 1qwu s ARG 793 Cb -0.15 -1.78 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 1qwu s ARG 793 CO 0.01 0.43 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.26 1qwu s LEU 794 N -1.83 2.49 -0.18 -0.88 1.43 1.00 -0.87 118.68 119.84 1qwu s LEU 794 Ca 0.12 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1qwu s LEU 794 Cb -0.10 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1qwu s LEU 794 CO 0.05 0.13 -0.08 -1.61 0.23 0.00 0.00 176.35 175.06 1qwu s GLU 795 N 0.55 3.38 0.37 1.70 2.02 -0.22 -1.70 118.70 124.81 1qwu s GLU 795 Ca -0.10 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.29 1qwu s GLU 795 Cb -0.16 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 1qwu s GLU 795 CO 0.04 -0.01 0.20 0.95 0.02 0.00 0.00 175.26 176.46 1qwu s THR 796 N 0.95 0.31 -1.05 3.63 -4.23 -0.31 -1.24 115.64 113.70 1qwu s THR 796 Ca -0.01 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.65 1qwu s THR 796 Cb -0.15 -2.40 0.47 0.00 1.34 0.00 0.00 72.50 71.76 1qwu s THR 796 CO -0.00 0.00 1.39 1.41 -0.54 0.00 0.00 174.62 176.88 1qwu n HIS 797 N -0.78 0.79 -1.73 3.99 8.25 -1.26 -4.61 115.22 119.86 1qwu n HIS 797 Ca -0.00 -0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 56.47 1qwu n HIS 797 Cb 0.64 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 1qwu n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1qwu n ILE 798 N 0.69 0.62 -2.35 1.59 5.41 -1.26 -4.88 119.36 119.18 1qwu n ILE 798 Ca 0.18 -0.15 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 1qwu n ILE 798 Cb 0.60 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1qwu n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1qwu n ASP 799 N 2.86 5.42 0.11 4.38 4.64 -1.26 -2.53 116.55 130.17 1qwu n ASP 799 Ca 0.12 -3.14 0.12 0.00 -1.38 0.00 0.00 54.79 50.51 1qwu n ASP 799 Cb 0.36 -1.45 0.19 0.00 -1.04 0.00 0.00 41.12 39.17 1qwu n ASP 799 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1qwu h SER 800 N 5.61 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.17 1qwu h SER 800 Ca 0.41 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1qwu h SER 800 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1qwu h SER 800 CO 1.60 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 178.21 1qwu n GLY 801 N 1.26 3.70 0.82 -0.77 0.00 -1.26 -2.02 105.19 106.92 1qwu n GLY 801 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1qwu n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qwu n ASP 802 N 8.80 3.49 -4.70 1.61 3.85 -1.26 -3.11 116.55 125.22 1qwu n ASP 802 Ca 0.00 -2.48 -0.35 0.00 -0.71 0.00 0.00 54.79 51.25 1qwu n ASP 802 Cb 0.00 -0.39 -0.09 0.00 -1.35 0.00 0.00 41.12 39.29 1qwu n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1qwu s ILE 803 N -1.86 4.51 0.23 2.12 -1.09 -0.85 0.03 121.20 124.27 1qwu s ILE 803 Ca 0.34 -0.17 -0.14 0.00 -2.23 0.00 0.00 60.65 58.44 1qwu s ILE 803 Cb 0.23 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1qwu s ILE 803 CO 0.13 0.60 0.49 0.72 -1.23 0.00 0.00 174.94 175.65 1qwu s PHE 804 N -0.79 0.19 0.01 3.97 -0.12 -0.83 -4.72 117.98 115.69 1qwu s PHE 804 Ca 0.12 -0.56 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 1qwu s PHE 804 Cb -0.12 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 1qwu s PHE 804 CO 0.02 -0.96 -0.18 0.71 -0.05 0.00 0.00 175.22 174.77 1qwu s TYR 805 N -3.96 1.56 0.07 3.49 1.51 -0.03 0.53 117.35 120.52 1qwu s TYR 805 Ca 0.17 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1qwu s TYR 805 Cb -0.01 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1qwu s TYR 805 CO 0.05 0.01 -0.06 0.95 -1.11 0.00 0.00 175.55 175.39 1qwu s THR 806 N -0.58 0.50 0.41 -0.71 -4.23 -1.01 -1.13 115.64 108.89 1qwu s THR 806 Ca 0.06 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1qwu s THR 806 Cb -0.07 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 1qwu s THR 806 CO 0.00 -0.74 0.63 1.51 -0.54 0.00 0.00 174.62 175.48 1qwu s ASP 807 N -2.49 6.05 -0.28 3.99 3.84 -0.80 -0.91 116.67 126.08 1qwu s ASP 807 Ca 0.02 0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.97 1qwu s ASP 807 Cb 0.00 -1.78 0.05 0.00 -1.38 0.00 0.00 42.92 39.82 1qwu s ASP 807 CO -0.04 -0.53 -0.05 -0.76 -0.00 0.00 0.00 175.17 173.79 1qwu s LEU 808 N -4.47 3.63 -1.39 2.11 1.43 0.10 -4.37 118.68 115.72 1qwu s LEU 808 Ca 0.45 -1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.19 1qwu s LEU 808 Cb -0.10 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1qwu s LEU 808 CO 0.38 -0.22 0.53 0.59 0.23 0.00 0.00 176.35 177.86 1qwu n ASN 809 N 4.54 -4.73 -0.90 2.29 4.13 -1.26 -1.03 115.26 118.30 1qwu n ASN 809 Ca -0.14 -0.34 -0.12 0.00 1.68 0.00 0.00 54.58 55.67 1qwu n ASN 809 Cb 0.43 -3.87 -0.05 0.00 -1.54 0.00 0.00 39.78 34.75 1qwu n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qwu n GLY 810 N -1.32 1.17 0.07 7.41 0.00 -1.26 -1.10 105.19 110.15 1qwu n GLY 810 Ca -0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1qwu n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qwu n LEU 811 N -1.34 1.57 -3.63 0.99 7.94 -0.20 -4.90 117.00 117.44 1qwu n LEU 811 Ca -0.12 -0.04 -0.10 0.00 -1.11 0.00 0.00 56.01 54.63 1qwu n LEU 811 Cb 0.56 -0.14 -0.04 0.00 0.53 0.00 0.00 43.42 44.32 1qwu n LEU 811 CO 0.18 0.53 0.20 0.00 -1.11 0.00 0.00 177.39 177.19 1qwu s GLN 812 N -2.29 1.13 -0.14 1.96 -2.07 -1.18 -4.98 119.66 112.08 1qwu s GLN 812 Ca -0.13 -0.71 -0.03 0.00 -1.82 0.00 0.00 55.36 52.67 1qwu s GLN 812 Cb 0.04 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.43 1qwu s GLN 812 CO 0.41 -0.46 -0.06 -0.06 -1.32 0.00 0.00 175.29 173.80 1qwu s PHE 813 N -3.81 2.97 -0.05 9.60 0.40 -1.26 0.01 117.98 125.85 1qwu s PHE 813 Ca 0.04 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1qwu s PHE 813 Cb 0.01 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1qwu s PHE 813 CO -0.11 -0.06 -0.16 -1.50 0.70 0.00 0.00 175.22 174.09 1qwu s ILE 814 N 0.30 2.90 0.06 0.64 2.07 -0.09 -2.19 121.20 124.90 1qwu s ILE 814 Ca -0.05 -0.78 -0.31 0.00 -1.41 0.00 0.00 60.65 58.10 1qwu s ILE 814 Cb -0.14 -2.12 -0.06 0.00 0.13 0.00 0.00 42.46 40.27 1qwu s ILE 814 CO 0.04 0.59 1.23 -0.75 -1.91 0.00 0.00 174.94 174.13 1qwu s LYS 815 N -0.69 4.41 0.12 3.50 2.20 -0.22 -2.42 119.74 126.64 1qwu s LYS 815 Ca 0.11 1.81 0.08 0.00 -0.36 0.00 0.00 55.97 57.61 1qwu s LYS 815 Cb -0.11 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1qwu s LYS 815 CO 0.00 -0.29 -0.10 1.03 -0.36 0.00 0.00 175.35 175.63 1qwu s ARG 816 N 1.13 2.09 -0.14 4.03 1.81 0.19 -4.96 118.95 123.10 1qwu s ARG 816 Ca 0.60 -1.08 -0.01 0.00 -1.72 0.00 0.00 55.73 53.51 1qwu s ARG 816 Cb -0.30 -2.26 0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1qwu s ARG 816 CO 0.29 0.49 -0.04 0.50 -0.68 0.00 0.00 175.30 175.86 1qwu s ARG 817 N -2.33 1.25 0.17 3.54 3.52 -1.26 -1.97 118.95 121.87 1qwu s ARG 817 Ca 0.22 -0.35 -0.32 0.00 -0.13 0.00 0.00 55.73 55.16 1qwu s ARG 817 Cb -0.11 -1.75 -0.11 0.00 -1.56 0.00 0.00 34.95 31.42 1qwu s ARG 817 CO 0.14 -0.39 1.66 0.50 -0.81 0.00 0.00 175.30 176.39 1qwu s ARG 818 N 1.73 4.17 -0.25 5.12 3.52 0.10 -4.97 118.95 128.37 1qwu s ARG 818 Ca 0.02 2.47 0.01 0.00 -0.13 0.00 0.00 55.73 58.11 1qwu s ARG 818 Cb -0.14 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1qwu s ARG 818 CO -0.07 -0.69 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.12 1qwu s LEU 819 N 1.38 3.26 0.20 -0.88 1.43 -1.26 -4.92 118.68 117.90 1qwu s LEU 819 Ca 0.73 -1.16 0.23 0.00 -1.03 0.00 0.00 54.13 52.90 1qwu s LEU 819 Cb -0.46 -1.59 0.91 0.00 0.03 0.00 0.00 46.19 45.08 1qwu s LEU 819 CO 0.32 -0.16 1.69 0.47 0.23 0.00 0.00 176.35 178.90 1qwu n ASP 820 N 4.54 0.56 0.00 2.29 8.00 -1.26 -1.50 116.55 129.17 1qwu n ASP 820 Ca -0.15 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.07 1qwu n ASP 820 Cb 0.44 -0.74 0.54 0.00 -0.02 0.00 0.00 41.12 41.34 1qwu n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1qwu n LYS 821 N -2.10 0.23 -4.23 -1.24 2.85 -1.26 -4.71 118.16 107.70 1qwu n LYS 821 Ca 0.03 0.09 -0.28 0.00 -1.05 0.00 0.00 58.31 57.10 1qwu n LYS 821 Cb 0.25 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.04 1qwu n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qwu s LEU 822 N -2.70 3.10 0.79 -5.58 1.43 -0.56 -5.06 118.68 110.10 1qwu s LEU 822 Ca 0.18 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1qwu s LEU 822 Cb 0.15 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.61 1qwu s LEU 822 CO 0.36 0.14 1.13 -2.16 0.23 0.00 0.00 176.35 176.05 1qwu s PRO 823 N -2.54 1.93 0.25 1.29 0.04 -1.26 -4.87 135.00 129.84 1qwu s PRO 823 Ca 0.24 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 1qwu s PRO 823 Cb -0.10 -1.84 0.40 0.00 0.04 0.00 0.00 34.50 33.00 1qwu s PRO 823 CO 0.15 -1.93 1.60 1.25 0.04 0.00 0.00 177.00 178.12 1qwu h LEU 824 N -1.03 -0.65 -2.34 -3.56 6.46 -1.95 0.14 115.31 112.38 1qwu h LEU 824 Ca -0.45 0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1qwu h LEU 824 Cb 1.26 0.47 -0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1qwu h LEU 824 CO 0.48 -0.26 -0.03 0.06 -0.62 0.00 0.00 178.44 178.08 1qwu h GLN 825 N 0.02 0.00 0.00 1.25 -0.00 -1.91 0.10 115.11 114.57 1qwu h GLN 825 Ca 0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 59.01 1qwu h GLN 825 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.14 1qwu h GLN 825 CO -0.81 0.03 -0.25 0.00 -0.00 0.00 0.00 178.83 177.81 1qwu h ALA 826 N 1.97 0.87 -0.17 0.06 0.00 -1.30 -2.95 119.26 117.73 1qwu h ALA 826 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qwu h ALA 826 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qwu h ALA 826 CO 0.00 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1qwu n ASN 827 N -3.20 1.32 -4.79 0.00 3.02 0.02 -4.62 115.26 107.01 1qwu n ASN 827 Ca 0.02 -1.75 -0.39 0.00 -0.03 0.00 0.00 54.58 52.43 1qwu n ASN 827 Cb 0.59 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1qwu n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qwu s TYR 828 N -1.78 3.77 0.17 3.10 1.51 -1.11 -4.63 117.35 118.38 1qwu s TYR 828 Ca 0.27 1.27 0.04 0.00 -1.01 0.00 0.00 57.07 57.64 1qwu s TYR 828 Cb 0.14 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.39 1qwu s TYR 828 CO 0.21 0.50 -0.06 0.71 -1.11 0.00 0.00 175.55 175.80 1qwu s TYR 829 N -0.79 1.31 0.40 2.71 1.51 -0.46 -4.67 117.35 117.35 1qwu s TYR 829 Ca 0.30 -0.85 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 1qwu s TYR 829 Cb -0.19 -0.71 -0.08 0.00 -0.11 0.00 0.00 41.96 40.86 1qwu s TYR 829 CO 0.19 -0.00 1.19 -2.14 -1.11 0.00 0.00 175.55 173.68 1qwu s PRO 830 N -3.81 4.04 -0.67 -1.71 0.02 -1.26 -1.48 135.00 130.13 1qwu s PRO 830 Ca 0.20 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.17 1qwu s PRO 830 Cb 0.04 -2.69 0.19 0.00 0.02 0.00 0.00 34.50 32.06 1qwu s PRO 830 CO 0.03 -0.35 0.56 -0.89 -0.33 0.00 0.00 177.00 176.02 1qwu n ILE 831 N 0.09 1.64 0.23 2.83 2.08 0.11 -4.58 119.36 121.77 1qwu n ILE 831 Ca 0.04 -4.88 0.08 0.00 0.56 0.00 0.00 62.75 58.56 1qwu n ILE 831 Cb 0.46 -2.13 0.55 0.00 -0.75 0.00 0.00 39.64 37.77 1qwu n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1qwu h PRO 832 N 5.03 0.00 0.00 0.38 0.13 -1.78 -2.77 132.00 132.99 1qwu h PRO 832 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1qwu h PRO 832 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1qwu h PRO 832 CO 0.73 0.22 0.00 -1.13 -0.23 0.00 0.00 178.00 177.59 1qwu n SER 833 N -3.82 0.00 -3.64 1.44 3.41 -1.26 -3.82 113.62 105.93 1qwu n SER 833 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.57 1qwu n SER 833 Cb 0.32 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1qwu n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qwu s GLY 834 N 0.00 -0.18 0.04 5.00 0.00 -1.26 -0.99 107.32 109.93 1qwu s GLY 834 Ca 0.00 1.99 -0.17 0.00 0.00 0.00 0.00 44.72 46.54 1qwu s GLY 834 CO 0.00 0.68 0.37 -3.16 0.00 0.00 0.00 173.10 171.00 1qwu s MET 835 N -1.97 0.87 0.16 2.90 0.23 -0.65 -1.90 119.30 118.95 1qwu s MET 835 Ca 0.11 -0.39 -0.19 0.00 -1.03 0.00 0.00 55.69 54.19 1qwu s MET 835 Cb -0.01 0.39 0.05 0.00 -1.53 0.00 0.00 34.83 33.72 1qwu s MET 835 CO -0.03 -0.29 0.51 -0.59 -2.03 0.00 0.00 175.02 172.59 1qwu s PHE 836 N -2.42 -0.30 0.10 3.16 -0.12 -0.28 -0.62 117.98 117.50 1qwu s PHE 836 Ca -0.06 0.01 0.04 0.00 -0.05 0.00 0.00 56.93 56.88 1qwu s PHE 836 Cb -0.01 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1qwu s PHE 836 CO -0.02 -0.82 -0.11 0.96 -0.05 0.00 0.00 175.22 175.18 1qwu s ILE 837 N -3.81 1.02 0.19 -4.49 -4.36 -0.86 -0.85 121.20 108.04 1qwu s ILE 837 Ca 0.04 -1.68 -0.23 0.00 -0.26 0.00 0.00 60.65 58.52 1qwu s ILE 837 Cb -0.00 -1.42 0.05 0.00 1.25 0.00 0.00 42.46 42.34 1qwu s ILE 837 CO -0.10 -0.55 0.68 -1.83 0.24 0.00 0.00 174.94 173.39 1qwu s GLU 838 N -2.83 1.44 0.00 0.37 -1.05 -1.26 -1.41 118.70 113.95 1qwu s GLU 838 Ca 0.07 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1qwu s GLU 838 Cb -0.03 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1qwu s GLU 838 CO 0.01 -0.64 0.00 -0.40 0.95 0.00 0.00 175.26 175.17 1qwu n ASP 839 N -0.41 1.07 0.21 0.83 5.68 -0.18 -4.05 116.55 119.70 1qwu n ASP 839 Ca -0.11 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.23 1qwu n ASP 839 Cb 0.62 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.11 1qwu n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qwu h ALA 840 N 1.00 1.71 0.00 2.12 0.00 -1.98 -3.34 119.26 118.77 1qwu h ALA 840 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1qwu h ALA 840 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1qwu h ALA 840 CO 0.00 0.22 -1.51 0.09 0.00 0.00 0.00 179.25 178.05 1qwu n ASN 841 N -4.35 3.08 -4.15 0.00 3.02 -1.26 -3.81 115.26 107.79 1qwu n ASN 841 Ca -0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.33 1qwu n ASN 841 Cb 0.22 0.79 -0.13 0.00 -0.61 0.00 0.00 39.78 40.05 1qwu n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qwu s THR 842 N -2.25 1.14 0.02 3.41 2.01 -1.26 -0.79 115.64 117.93 1qwu s THR 842 Ca -0.04 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1qwu s THR 842 Cb 0.03 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1qwu s THR 842 CO 0.32 -0.02 -0.10 -0.60 -0.69 0.00 0.00 174.62 173.53 1qwu s ARG 843 N -1.23 0.72 -0.14 4.92 3.52 -0.39 -1.01 118.95 125.35 1qwu s ARG 843 Ca 0.01 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1qwu s ARG 843 Cb -0.08 -0.66 0.02 0.00 -1.56 0.00 0.00 34.95 32.67 1qwu s ARG 843 CO 0.01 0.17 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.36 1qwu s LEU 844 N -0.83 1.66 -0.12 -0.88 2.96 -0.50 -1.28 118.68 119.68 1qwu s LEU 844 Ca -0.00 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1qwu s LEU 844 Cb -0.06 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 1qwu s LEU 844 CO 0.00 -0.04 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.93 1qwu s THR 845 N 1.38 2.60 -0.27 3.68 2.01 0.03 -2.03 115.64 123.04 1qwu s THR 845 Ca 0.02 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1qwu s THR 845 Cb -0.13 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1qwu s THR 845 CO -0.08 0.54 0.04 -0.22 -0.69 0.00 0.00 174.62 174.20 1qwu s LEU 846 N 0.45 3.51 -0.05 4.42 2.96 0.21 -0.87 118.68 129.31 1qwu s LEU 846 Ca -0.13 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1qwu s LEU 846 Cb -0.17 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1qwu s LEU 846 CO 0.05 -0.11 0.17 -0.76 -1.32 0.00 0.00 176.35 174.38 1qwu s LEU 847 N 1.51 4.38 0.13 -0.68 2.01 -0.17 -1.64 118.68 124.22 1qwu s LEU 847 Ca 0.04 0.40 0.11 0.00 0.01 0.00 0.00 54.13 54.69 1qwu s LEU 847 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 46.19 43.58 1qwu s LEU 847 CO 0.01 0.32 -0.26 0.42 1.01 0.00 0.00 176.35 177.85 1qwu s THR 848 N -1.22 2.20 -1.24 5.49 -4.23 -0.16 -1.73 115.64 114.75 1qwu s THR 848 Ca 0.23 -1.76 0.19 0.00 -1.18 0.00 0.00 61.69 59.17 1qwu s THR 848 Cb -0.12 -1.96 0.72 0.00 1.34 0.00 0.00 72.50 72.48 1qwu s THR 848 CO 0.13 0.05 1.63 0.61 -0.54 0.00 0.00 174.62 176.50 1qwu n GLY 849 N 0.87 2.73 3.53 3.99 0.00 -0.49 -4.72 105.19 111.10 1qwu n GLY 849 Ca -0.18 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 1qwu n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qwu s GLN 850 N -1.75 0.95 0.10 1.61 0.00 -1.26 -4.75 119.66 114.57 1qwu s GLN 850 Ca 0.51 0.20 -0.30 0.00 -0.00 0.00 0.00 55.36 55.78 1qwu s GLN 850 Cb 0.32 0.45 -0.06 0.00 0.00 0.00 0.00 33.01 33.72 1qwu s GLN 850 CO 0.26 -0.30 0.98 -1.25 0.00 0.00 0.00 175.29 174.97 1qwu s PRO 851 N -1.27 4.67 0.27 9.60 0.04 -1.25 -4.68 135.00 142.38 1qwu s PRO 851 Ca -0.08 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 1qwu s PRO 851 Cb -0.00 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1qwu s PRO 851 CO 0.07 0.17 0.35 -0.51 0.04 0.00 0.00 177.00 177.12 1qwu s LEU 852 N 0.10 0.90 0.05 -3.56 1.43 -1.04 -4.79 118.68 111.77 1qwu s LEU 852 Ca 0.48 -1.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1qwu s LEU 852 Cb -0.24 1.15 -0.04 0.00 0.03 0.00 0.00 46.19 47.09 1qwu s LEU 852 CO 0.30 -1.09 0.24 -0.83 0.23 0.00 0.00 176.35 175.20 1qwu s GLY 853 N -3.16 2.20 0.27 -3.19 0.00 -0.98 0.07 107.32 102.53 1qwu s GLY 853 Ca 0.31 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 44.17 1qwu s GLY 853 CO 0.15 -0.67 0.61 0.61 0.00 0.00 0.00 173.10 173.80 1qwu n GLY 854 N 0.50 1.18 1.79 0.20 0.00 -0.55 -0.48 105.19 107.83 1qwu n GLY 854 Ca -0.07 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 1qwu n GLY 854 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qwu n SER 855 N -1.35 -0.73 -3.51 1.61 2.88 0.25 -1.36 113.62 111.40 1qwu n SER 855 Ca -0.06 -1.34 -0.29 0.00 -1.33 0.00 0.00 58.87 55.86 1qwu n SER 855 Cb 0.44 1.18 -0.13 0.00 -0.75 0.00 0.00 64.21 64.94 1qwu n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1qwu s SER 856 N -2.17 3.25 0.00 -3.46 0.15 -1.26 -0.59 113.70 109.62 1qwu s SER 856 Ca 0.11 -1.85 0.28 0.00 0.70 0.00 0.00 55.95 55.20 1qwu s SER 856 Cb -0.01 -0.43 1.12 0.00 -1.71 0.00 0.00 66.02 64.99 1qwu s SER 856 CO 0.02 -0.36 1.81 0.18 1.20 0.00 0.00 173.24 176.08 1qwu n LEU 857 N 4.50 0.35 -3.63 3.45 4.77 -1.26 -4.82 117.00 120.36 1qwu n LEU 857 Ca 0.05 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 1qwu n LEU 857 Cb 0.39 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1qwu n LEU 857 CO 0.11 0.07 0.24 0.00 -1.33 0.00 0.00 177.39 176.48 1qwu s ALA 858 N -2.69 -1.29 0.22 -1.18 0.00 -1.26 -5.09 121.76 110.47 1qwu s ALA 858 Ca 0.22 0.82 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 1qwu s ALA 858 Cb 0.19 0.06 -0.15 0.00 0.00 0.00 0.00 23.12 23.22 1qwu s ALA 858 CO 0.53 -0.33 1.23 0.45 0.00 0.00 0.00 175.76 177.63 1qwu n SER 859 N 1.05 1.84 0.00 0.00 2.88 -1.18 -1.23 113.62 116.97 1qwu n SER 859 Ca -0.20 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1qwu n SER 859 Cb 0.57 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1qwu n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qwu n GLY 860 N 1.92 1.04 3.76 0.46 0.00 -1.05 -4.89 105.19 106.43 1qwu n GLY 860 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1qwu n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qwu s GLU 861 N -0.06 2.77 -0.02 1.61 2.02 -0.37 -1.16 118.70 123.50 1qwu s GLU 861 Ca 0.00 -0.91 -0.02 0.00 0.02 0.00 0.00 54.97 54.07 1qwu s GLU 861 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1qwu s GLU 861 CO 0.00 0.49 0.04 -0.51 0.02 0.00 0.00 175.26 175.30 1qwu s LEU 862 N -2.97 1.84 -0.05 1.80 1.43 -0.69 -4.49 118.68 115.56 1qwu s LEU 862 Ca 0.30 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.30 1qwu s LEU 862 Cb -0.10 0.16 0.03 0.00 0.03 0.00 0.00 46.19 46.31 1qwu s LEU 862 CO 0.22 -0.03 0.38 -1.83 0.23 0.00 0.00 176.35 175.31 1qwu s GLU 863 N -0.05 0.68 -0.10 1.70 -1.05 0.24 -0.00 118.70 120.12 1qwu s GLU 863 Ca -0.01 0.02 -0.04 0.00 -0.15 0.00 0.00 54.97 54.79 1qwu s GLU 863 Cb -0.01 0.31 0.05 0.00 -0.44 0.00 0.00 34.13 34.04 1qwu s GLU 863 CO 0.00 -0.18 0.22 -1.50 0.95 0.00 0.00 175.26 174.75 1qwu s ILE 864 N -1.00 -0.08 0.25 1.83 2.07 -0.25 -0.58 121.20 123.44 1qwu s ILE 864 Ca -0.10 0.18 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 1qwu s ILE 864 Cb -0.04 -0.34 -0.09 0.00 0.13 0.00 0.00 42.46 42.11 1qwu s ILE 864 CO 0.04 0.07 1.28 -0.32 -1.91 0.00 0.00 174.94 174.11 1qwu s MET 865 N 1.37 4.41 -0.21 3.50 -2.45 0.37 -1.36 119.30 124.93 1qwu s MET 865 Ca -0.08 2.07 -0.12 0.00 -1.25 0.00 0.00 55.69 56.31 1qwu s MET 865 Cb -0.11 -3.16 -0.19 0.00 1.25 0.00 0.00 34.83 32.62 1qwu s MET 865 CO -0.08 -0.18 0.06 1.04 1.05 0.00 0.00 175.02 176.92 1qwu n GLN 866 N 1.94 0.64 -3.54 4.11 1.13 0.15 -4.43 117.38 117.39 1qwu n GLN 866 Ca 0.03 0.35 -0.09 0.00 -1.94 0.00 0.00 57.00 55.36 1qwu n GLN 866 Cb 0.43 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 1qwu n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1qwu s ASP 867 N -6.99 -0.40 -0.06 1.08 -1.08 -1.22 -4.83 116.67 103.17 1qwu s ASP 867 Ca -0.30 -0.12 -0.05 0.00 -0.52 0.00 0.00 52.55 51.56 1qwu s ASP 867 Cb 0.09 0.50 0.02 0.00 -1.46 0.00 0.00 42.92 42.07 1qwu s ASP 867 CO 0.62 -0.85 0.15 0.00 0.52 0.00 0.00 175.17 175.62 1qwu s ARG 868 N -3.43 0.17 -0.15 4.34 1.70 -1.26 -1.28 118.95 119.03 1qwu s ARG 868 Ca 0.05 0.23 -0.01 0.00 -0.47 0.00 0.00 55.73 55.53 1qwu s ARG 868 Cb -0.02 0.06 0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1qwu s ARG 868 CO -0.07 -0.04 -0.04 0.50 -1.08 0.00 0.00 175.30 174.58 1qwu s ARG 869 N 0.19 1.24 -0.08 3.89 3.52 -0.45 -4.85 118.95 122.40 1qwu s ARG 869 Ca -0.01 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 1qwu s ARG 869 Cb -0.02 -1.85 0.01 0.00 -1.56 0.00 0.00 34.95 31.53 1qwu s ARG 869 CO -0.00 -0.43 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.39 1qwu s LEU 870 N 1.71 1.79 0.33 -0.88 1.43 -0.19 -0.21 118.68 122.66 1qwu s LEU 870 Ca 0.01 -0.40 0.17 0.00 -1.03 0.00 0.00 54.13 52.89 1qwu s LEU 870 Cb -0.15 -1.05 0.41 0.00 0.03 0.00 0.00 46.19 45.43 1qwu s LEU 870 CO -0.07 0.06 1.60 0.00 0.23 0.00 0.00 176.35 178.17 1qwu h ALA 871 N 7.00 0.83 -2.46 4.21 0.00 -1.88 0.43 119.26 127.40 1qwu h ALA 871 Ca -0.27 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 1qwu h ALA 871 Cb 1.20 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1qwu h ALA 871 CO 0.48 0.54 -0.52 -1.12 0.00 0.00 0.00 179.25 178.62 1qwu s SER 872 N -6.42 5.71 0.36 0.00 0.01 -1.26 -4.29 113.70 107.80 1qwu s SER 872 Ca 0.02 -0.11 -0.18 0.00 1.31 0.00 0.00 55.95 56.99 1qwu s SER 872 Cb 0.09 -1.53 -0.10 0.00 0.21 0.00 0.00 66.02 64.69 1qwu s SER 872 CO 0.71 0.02 0.83 -0.62 0.41 0.00 0.00 173.24 174.58 1qwu s ASP 873 N -3.47 6.89 -0.33 2.44 -1.08 -1.26 -4.00 116.67 115.87 1qwu s ASP 873 Ca 0.32 1.47 0.08 0.00 -0.52 0.00 0.00 52.55 53.91 1qwu s ASP 873 Cb -0.09 -2.45 0.59 0.00 -1.46 0.00 0.00 42.92 39.50 1qwu s ASP 873 CO 0.25 -0.24 1.63 -0.90 0.52 0.00 0.00 175.17 176.43 1qwu n ASP 874 N -0.34 3.28 -3.32 -0.34 5.68 -1.26 -4.83 116.55 115.42 1qwu n ASP 874 Ca 0.04 -3.58 -0.24 0.00 -0.50 0.00 0.00 54.79 50.51 1qwu n ASP 874 Cb 0.53 -0.70 0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1qwu n ASP 874 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1qwu n GLU 875 N -0.94 -4.99 -0.13 0.11 1.02 -1.26 -4.86 120.64 109.59 1qwu n GLU 875 Ca 0.40 0.74 0.05 0.00 -0.02 0.00 0.00 57.16 58.32 1qwu n GLU 875 Cb 1.24 -5.59 0.11 0.00 -0.02 0.00 0.00 31.44 27.18 1qwu n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qwu n ARG 876 N -4.18 2.65 0.00 3.49 5.12 -1.26 -4.98 116.66 117.50 1qwu n ARG 876 Ca -0.05 -2.05 0.00 0.00 -1.93 0.00 0.00 57.85 53.82 1qwu n ARG 876 Cb 0.58 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 1qwu n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qwu n GLY 877 N -0.36 0.89 0.24 -0.13 0.00 -1.26 -4.97 105.19 99.60 1qwu n GLY 877 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1qwu n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qwu h LEU 878 N 0.00 0.38 0.39 0.99 5.85 -1.94 -3.47 115.31 117.52 1qwu h LEU 878 Ca 0.00 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.46 1qwu h LEU 878 Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1qwu h LEU 878 CO 0.00 0.59 -0.14 0.61 -0.34 0.00 0.00 178.44 179.16 1qwu n GLY 879 N -0.59 0.89 3.61 3.75 0.00 -1.26 -4.85 105.19 106.74 1qwu n GLY 879 Ca -0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1qwu n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qwu s GLN 880 N -2.73 1.23 0.00 1.61 -2.07 -1.26 -4.97 119.66 111.47 1qwu s GLN 880 Ca 0.00 -0.57 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 1qwu s GLN 880 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 1qwu s GLN 880 CO 0.00 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.83 1qwu n GLY 881 N -0.38 0.89 2.98 2.60 0.00 -1.26 -4.17 105.19 105.86 1qwu n GLY 881 Ca -0.10 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1qwu n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qwu s VAL 882 N 1.23 2.32 -0.07 1.61 1.01 0.15 -4.88 120.40 121.78 1qwu s VAL 882 Ca 0.00 -2.64 0.10 0.00 0.00 0.00 0.00 61.98 59.44 1qwu s VAL 882 Cb 0.00 -2.68 0.15 0.00 0.00 0.00 0.00 36.38 33.85 1qwu s VAL 882 CO 0.00 -0.67 1.05 0.18 0.00 0.00 0.00 175.10 175.66 1qwu n LEU 883 N 3.89 1.35 -1.67 3.92 4.77 -1.26 -1.02 117.00 126.98 1qwu n LEU 883 Ca 0.04 -2.09 -0.12 0.00 -0.03 0.00 0.00 56.01 53.82 1qwu n LEU 883 Cb 0.39 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.46 1qwu n LEU 883 CO 0.26 0.49 0.97 -0.90 -1.33 0.00 0.00 177.39 176.88 1qwu n ASP 884 N -0.77 3.30 -4.68 -1.43 3.85 -1.26 -5.03 116.55 110.53 1qwu n ASP 884 Ca 0.08 -3.62 -0.37 0.00 -0.71 0.00 0.00 54.79 50.18 1qwu n ASP 884 Cb 0.62 -0.73 0.07 0.00 -1.35 0.00 0.00 41.12 39.74 1qwu n ASP 884 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1qwu n ASN 885 N -1.00 1.46 -3.82 -1.12 4.13 -1.26 -5.04 115.26 108.62 1qwu n ASN 885 Ca 0.44 0.80 -0.10 0.00 1.68 0.00 0.00 54.58 57.40 1qwu n ASN 885 Cb 1.33 -1.49 -0.08 0.00 -1.54 0.00 0.00 39.78 38.00 1qwu n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1qwu s LYS 886 N -3.18 0.79 0.12 3.52 -2.85 -1.26 -4.96 119.74 111.91 1qwu s LYS 886 Ca 0.80 -0.71 -0.35 0.00 -1.00 0.00 0.00 55.97 54.70 1qwu s LYS 886 Cb -0.39 0.33 -0.16 0.00 -2.06 0.00 0.00 37.83 35.56 1qwu s LYS 886 CO 0.43 -0.25 1.40 -2.30 0.10 0.00 0.00 175.35 174.74 1qwu n PRO 887 N 0.37 1.49 -4.06 1.78 -0.02 -1.26 -4.82 135.00 128.48 1qwu n PRO 887 Ca -0.17 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1qwu n PRO 887 Cb 0.60 -2.21 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1qwu n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qwu s VAL 888 N 0.54 0.45 -0.45 -1.45 0.11 -0.56 -4.92 120.40 114.12 1qwu s VAL 888 Ca 0.81 -0.88 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 1qwu s VAL 888 Cb -0.85 -0.50 0.10 0.00 -1.53 0.00 0.00 36.38 33.60 1qwu s VAL 888 CO 0.45 -0.30 0.31 -0.22 -3.33 0.00 0.00 175.10 172.01 1qwu s LEU 889 N -1.26 5.47 0.10 2.54 2.96 -1.26 0.53 118.68 127.76 1qwu s LEU 889 Ca -0.08 -1.76 -0.22 0.00 -0.22 0.00 0.00 54.13 51.85 1qwu s LEU 889 Cb -0.08 -2.00 -0.07 0.00 0.50 0.00 0.00 46.19 44.54 1qwu s LEU 889 CO 0.00 -0.63 0.65 -1.00 -1.32 0.00 0.00 176.35 174.05 1qwu s HIS 890 N 1.38 3.84 0.12 5.38 3.76 0.20 -4.90 115.29 125.07 1qwu s HIS 890 Ca 0.05 1.40 0.09 0.00 -0.15 0.00 0.00 55.06 56.44 1qwu s HIS 890 Cb -0.25 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 1qwu s HIS 890 CO 0.00 0.55 -0.21 0.96 -0.85 0.00 0.00 174.74 175.19 1qwu s ILE 891 N -1.06 1.83 0.24 0.60 -4.36 -1.26 -0.49 121.20 116.71 1qwu s ILE 891 Ca 0.32 -1.68 -0.13 0.00 -0.26 0.00 0.00 60.65 58.90 1qwu s ILE 891 Cb -0.21 -1.70 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 1qwu s ILE 891 CO 0.21 -0.10 0.47 -0.31 0.24 0.00 0.00 174.94 175.45 1qwu s TYR 892 N -1.38 0.33 -0.03 1.37 1.51 0.67 -1.39 117.35 118.43 1qwu s TYR 892 Ca 0.10 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 1qwu s TYR 892 Cb -0.09 0.19 -0.00 0.00 -0.11 0.00 0.00 41.96 41.95 1qwu s TYR 892 CO 0.05 -0.97 -0.12 1.03 -1.11 0.00 0.00 175.55 174.43 1qwu s ARG 893 N -4.00 1.19 -0.25 -0.62 1.81 -0.70 -0.71 118.95 115.66 1qwu s ARG 893 Ca 0.21 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 1qwu s ARG 893 Cb -0.01 -1.10 0.03 0.00 -0.45 0.00 0.00 34.95 33.43 1qwu s ARG 893 CO 0.08 0.19 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.65 1qwu s LEU 894 N 0.01 3.27 -0.32 2.53 2.96 -0.63 -0.99 118.68 125.51 1qwu s LEU 894 Ca -0.01 -1.00 -0.05 0.00 -0.22 0.00 0.00 54.13 52.86 1qwu s LEU 894 Cb -0.08 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1qwu s LEU 894 CO 0.01 -0.15 0.06 -0.69 -1.32 0.00 0.00 176.35 174.26 1qwu s VAL 895 N 1.28 3.49 -0.21 1.68 1.01 -0.05 -3.72 120.40 123.88 1qwu s VAL 895 Ca -0.02 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.68 1qwu s VAL 895 Cb -0.17 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1qwu s VAL 895 CO -0.05 -0.13 0.12 -0.22 0.00 0.00 0.00 175.10 174.83 1qwu s LEU 896 N 1.35 4.05 0.06 3.92 2.96 -1.26 -0.79 118.68 128.98 1qwu s LEU 896 Ca -0.03 0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.95 1qwu s LEU 896 Cb -0.19 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.44 1qwu s LEU 896 CO 0.01 0.14 0.16 -1.61 -1.32 0.00 0.00 176.35 173.73 1qwu s GLU 897 N 0.61 0.73 -0.06 1.98 2.02 -0.41 -5.03 118.70 118.55 1qwu s GLU 897 Ca 0.06 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 54.04 1qwu s GLU 897 Cb -0.12 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.36 1qwu s GLU 897 CO 0.01 -0.21 0.56 0.15 0.02 0.00 0.00 175.26 175.79 1qwu s LYS 898 N -3.17 4.33 -0.03 1.61 -0.14 -1.26 -1.26 119.74 119.81 1qwu s LYS 898 Ca -0.00 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.30 1qwu s LYS 898 Cb 0.02 -3.39 0.06 0.00 -1.68 0.00 0.00 37.83 32.84 1qwu s LYS 898 CO -0.07 0.25 0.98 1.33 -0.76 0.00 0.00 175.35 177.08 1qwu n VAL 899 N 3.22 1.06 0.31 3.17 0.24 0.03 -4.76 118.33 121.60 1qwu n VAL 899 Ca -0.06 -1.14 0.19 0.00 -2.04 0.00 0.00 64.34 61.29 1qwu n VAL 899 Cb 0.51 0.39 1.01 0.00 -1.47 0.00 0.00 33.84 34.28 1qwu n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1qwu h ASN 900 N 0.00 0.00 -0.01 -1.34 -1.07 -1.65 -1.27 115.58 110.25 1qwu h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1qwu h ASN 900 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 1qwu h ASN 900 CO 0.00 0.02 -0.30 0.59 0.07 0.00 0.00 177.43 177.81 1qwu n ASN 901 N -3.29 2.26 -4.76 6.14 3.02 -1.26 -4.96 115.26 112.41 1qwu n ASN 901 Ca -0.02 -1.63 -0.39 0.00 -0.03 0.00 0.00 54.58 52.50 1qwu n ASN 901 Cb 0.14 0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.56 1qwu n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwu s VAL 903 N -1.26 4.16 0.30 0.00 1.01 -0.06 -5.00 120.40 119.55 1qwu s VAL 903 Ca 0.46 0.88 0.08 0.00 0.00 0.00 0.00 61.98 63.41 1qwu s VAL 903 Cb -0.29 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.41 1qwu s VAL 903 CO 0.37 -1.18 0.14 -0.13 0.00 0.00 0.00 175.10 174.30 1qwu s ARG 904 N 4.57 2.51 0.75 2.72 0.52 -1.26 -4.44 118.95 124.32 1qwu s ARG 904 Ca 0.42 -1.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 1qwu s ARG 904 Cb -0.08 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.14 1qwu s ARG 904 CO 0.26 0.22 1.15 -2.14 0.02 0.00 0.00 175.30 174.82 1qwu s PRO 905 N -3.83 2.15 1.07 3.54 0.02 -1.26 -4.89 135.00 131.81 1qwu s PRO 905 Ca 0.36 1.52 -0.13 0.00 0.02 0.00 0.00 61.00 62.76 1qwu s PRO 905 Cb -0.05 -1.86 0.23 0.00 0.02 0.00 0.00 34.50 32.84 1qwu s PRO 905 CO 0.23 -1.77 1.07 -1.54 -0.33 0.00 0.00 177.00 174.66 1qwu s SER 906 N -2.53 1.92 0.61 2.53 1.04 -1.26 -4.89 113.70 111.11 1qwu s SER 906 Ca 0.69 1.22 0.34 0.00 0.48 0.00 0.00 55.95 58.67 1qwu s SER 906 Cb -0.23 -1.90 1.99 0.00 0.10 0.00 0.00 66.02 65.97 1qwu s SER 906 CO 0.48 -3.58 2.28 0.11 0.98 0.00 0.00 173.24 173.52 1qwu h LYS 907 N -2.20 0.00 -0.01 4.02 1.57 -2.00 -2.27 116.57 115.68 1qwu h LYS 907 Ca -0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1qwu h LYS 907 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1qwu h LYS 907 CO 0.55 0.00 -0.27 1.28 -0.57 0.00 0.00 179.45 180.44 1qwu n LEU 908 N -3.63 1.48 -4.73 2.94 4.77 -1.26 -4.91 117.00 111.66 1qwu n LEU 908 Ca -0.03 -0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 1qwu n LEU 908 Cb 0.09 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1qwu n LEU 908 CO 0.25 0.27 0.91 -2.28 -1.33 0.00 0.00 177.39 175.21 1qwu s HIS 909 N -2.40 3.40 -1.51 -1.77 2.46 -0.86 -4.93 115.29 109.69 1qwu s HIS 909 Ca 0.25 1.33 0.27 0.00 0.47 0.00 0.00 55.06 57.37 1qwu s HIS 909 Cb 0.19 -3.47 1.39 0.00 -0.13 0.00 0.00 32.58 30.57 1qwu s HIS 909 CO 0.50 -1.41 1.92 -2.30 -2.47 0.00 0.00 174.74 170.98 1qwu n PRO 910 N 3.02 0.45 -3.98 2.88 -0.02 -1.26 -4.89 135.00 131.20 1qwu n PRO 910 Ca 0.06 0.03 -0.23 0.00 -2.02 0.00 0.00 63.50 61.34 1qwu n PRO 910 Cb 0.45 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1qwu n PRO 910 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qwu s ALA 911 N -2.49 3.66 0.06 3.55 0.00 -1.26 -1.06 121.76 124.22 1qwu s ALA 911 Ca 0.28 -1.91 -0.00 0.00 0.00 0.00 0.00 51.96 50.32 1qwu s ALA 911 Cb 0.18 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1qwu s ALA 911 CO 0.39 -0.08 -0.04 0.20 0.00 0.00 0.00 175.76 176.23 1qwu s GLY 912 N -3.93 0.53 0.02 0.00 0.00 -0.93 -4.76 107.32 98.24 1qwu s GLY 912 Ca 0.41 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1qwu s GLY 912 CO 0.24 -1.29 -0.07 -0.19 0.00 0.00 0.00 173.10 171.79 1qwu s TYR 913 N -3.61 0.60 0.75 1.90 1.51 -1.26 -4.02 117.35 113.20 1qwu s TYR 913 Ca 0.06 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.71 1qwu s TYR 913 Cb 0.06 -0.37 0.04 0.00 -0.11 0.00 0.00 41.96 41.58 1qwu s TYR 913 CO -0.08 -0.04 1.09 -0.51 -1.11 0.00 0.00 175.55 174.90 1qwu s LEU 914 N -0.87 2.80 0.51 -1.29 1.43 -1.26 -4.69 118.68 115.31 1qwu s LEU 914 Ca -0.04 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1qwu s LEU 914 Cb -0.06 -4.02 0.02 0.00 0.03 0.00 0.00 46.19 42.16 1qwu s LEU 914 CO 0.00 -1.64 0.73 0.42 0.23 0.00 0.00 176.35 176.09 1qwu s THR 915 N -3.21 3.09 0.17 5.49 -4.23 -1.26 -1.19 115.64 114.49 1qwu s THR 915 Ca 0.59 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 60.33 1qwu s THR 915 Cb -0.13 -3.15 0.07 0.00 1.34 0.00 0.00 72.50 70.63 1qwu s THR 915 CO 0.53 -0.10 1.77 -1.28 -0.54 0.00 0.00 174.62 175.01 1qwu h SER 916 N 0.20 0.28 -0.63 3.99 0.87 -1.94 -0.39 113.55 115.93 1qwu h SER 916 Ca -0.43 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.13 1qwu h SER 916 Cb 1.28 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1qwu h SER 916 CO 0.53 0.20 0.27 0.00 -0.53 0.00 0.00 176.83 177.30 1qwu h ALA 917 N 1.27 0.81 -0.51 6.23 0.00 -1.99 -0.72 119.26 124.35 1qwu h ALA 917 Ca 0.21 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1qwu h ALA 917 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1qwu h ALA 917 CO -0.17 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.43 1qwu h ALA 918 N 1.11 0.93 -0.03 0.00 0.00 -1.86 -0.93 119.26 118.49 1qwu h ALA 918 Ca 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1qwu h ALA 918 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qwu h ALA 918 CO -0.02 0.63 -0.00 1.25 0.00 0.00 0.00 179.25 181.11 1qwu h HIS 919 N 0.83 0.06 -0.40 0.00 2.76 -0.78 -1.21 115.15 116.40 1qwu h HIS 919 Ca 0.14 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1qwu h HIS 919 Cb 0.57 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1qwu h HIS 919 CO 0.03 0.36 0.22 0.87 -1.30 0.00 0.00 177.93 178.11 1qwu h LYS 920 N -0.26 0.55 -0.64 5.26 1.57 -1.04 -1.11 116.57 120.89 1qwu h LYS 920 Ca 0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1qwu h LYS 920 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1qwu h LYS 920 CO 0.00 0.41 0.14 0.00 -0.57 0.00 0.00 179.45 179.43 1qwu h ALA 921 N 1.69 1.03 -0.54 3.86 0.00 -0.84 -0.35 119.26 124.11 1qwu h ALA 921 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1qwu h ALA 921 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1qwu h ALA 921 CO -0.02 0.63 0.16 1.03 0.00 0.00 0.00 179.25 181.04 1qwu h SER 922 N 0.97 0.80 -0.01 0.00 0.87 -0.17 -2.55 113.55 113.46 1qwu h SER 922 Ca 0.20 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1qwu h SER 922 Cb 0.37 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1qwu h SER 922 CO 0.00 0.80 -0.07 1.56 -0.53 0.00 0.00 176.83 178.59 1qwu h GLN 923 N 0.75 0.22 0.00 2.24 4.20 -0.71 -1.27 115.11 120.55 1qwu h GLN 923 Ca 0.17 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1qwu h GLN 923 Cb 0.29 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1qwu h GLN 923 CO -0.00 0.31 -0.30 0.66 -0.67 0.00 0.00 178.83 178.82 1qwu h SER 924 N 0.21 0.00 0.08 1.46 4.64 -0.67 0.92 113.55 120.20 1qwu h SER 924 Ca 0.05 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 1qwu h SER 924 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1qwu h SER 924 CO 0.01 0.30 -0.85 -0.07 -0.87 0.00 0.00 176.83 175.36 1qwu h LEU 925 N 0.00 0.27 0.12 5.97 3.38 -1.13 -3.33 115.31 120.58 1qwu h LEU 925 Ca -0.00 -0.88 -0.29 0.00 0.09 0.00 0.00 57.88 56.79 1qwu h LEU 925 Cb 0.61 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1qwu h LEU 925 CO 0.04 1.38 -1.44 -0.07 0.09 0.00 0.00 178.44 178.44 1qwu h LEU 926 N -0.58 0.39 -5.95 1.67 3.38 -1.22 -3.41 115.31 109.58 1qwu h LEU 926 Ca -0.18 -0.49 -0.55 0.00 0.09 0.00 0.00 57.88 56.74 1qwu h LEU 926 Cb 1.48 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 41.70 1qwu h LEU 926 CO 0.04 1.40 -0.96 0.47 0.09 0.00 0.00 178.44 179.48 1qwu n ASP 927 N -3.47 1.65 -4.65 -0.43 8.00 0.31 -4.65 116.55 113.32 1qwu n ASP 927 Ca -0.14 -3.06 -0.29 0.00 0.71 0.00 0.00 54.79 52.02 1qwu n ASP 927 Cb 1.04 -0.63 0.19 0.00 -0.02 0.00 0.00 41.12 41.69 1qwu n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1qwu s PRO 928 N -2.07 0.26 0.55 -0.24 0.04 -1.25 -4.71 135.00 127.58 1qwu s PRO 928 Ca 0.39 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 1qwu s PRO 928 Cb 0.23 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 33.01 1qwu s PRO 928 CO -0.09 -2.86 1.26 -0.51 0.04 0.00 0.00 177.00 174.84 1qwu s LEU 929 N -6.56 3.80 0.01 -3.56 1.43 -1.26 -4.77 118.68 107.76 1qwu s LEU 929 Ca 0.66 2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 56.20 1qwu s LEU 929 Cb -0.19 -4.41 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 1qwu s LEU 929 CO 0.59 -1.48 0.30 -1.81 0.23 0.00 0.00 176.35 174.18 1qwu s ASP 930 N -1.30 6.55 -0.08 2.29 1.01 0.18 -4.88 116.67 120.45 1qwu s ASP 930 Ca 0.73 0.65 0.04 0.00 0.71 0.00 0.00 52.55 54.68 1qwu s ASP 930 Cb -0.34 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 1qwu s ASP 930 CO 0.39 0.26 -0.22 -0.54 0.21 0.00 0.00 175.17 175.27 1qwu s LYS 931 N -1.63 2.84 -0.05 8.23 1.02 -1.26 -0.47 119.74 128.42 1qwu s LYS 931 Ca 0.27 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1qwu s LYS 931 Cb -0.14 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1qwu s LYS 931 CO 0.15 0.30 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.66 1qwu s PHE 932 N 0.05 1.71 -0.20 3.18 0.40 0.10 -0.68 117.98 122.53 1qwu s PHE 932 Ca -0.09 -0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 1qwu s PHE 932 Cb -0.15 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 1qwu s PHE 932 CO 0.06 -0.22 0.02 0.42 0.70 0.00 0.00 175.22 176.20 1qwu s ILE 933 N 0.23 4.17 0.19 0.64 1.01 -0.19 -0.48 121.20 126.76 1qwu s ILE 933 Ca -0.08 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 1qwu s ILE 933 Cb -0.13 -2.89 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 1qwu s ILE 933 CO 0.03 0.42 1.50 0.12 0.00 0.00 0.00 174.94 177.01 1qwu s PHE 934 N 0.97 3.07 0.04 3.97 5.36 -0.81 -1.36 117.98 129.22 1qwu s PHE 934 Ca 0.02 0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 56.75 1qwu s PHE 934 Cb -0.14 -3.86 -0.29 0.00 -0.34 0.00 0.00 43.02 38.39 1qwu s PHE 934 CO 0.02 -3.03 0.99 0.00 -1.46 0.00 0.00 175.22 171.74 1qwu h ALA 935 N 6.21 0.17 -2.01 11.12 0.00 -1.17 -3.46 119.26 130.12 1qwu h ALA 935 Ca -0.44 -1.00 -0.46 0.00 0.00 0.00 0.00 54.91 53.02 1qwu h ALA 935 Cb 1.21 0.15 0.11 0.00 0.00 0.00 0.00 17.79 19.27 1qwu h ALA 935 CO 0.86 1.04 0.29 -1.21 0.00 0.00 0.00 179.25 180.23 1qwu s GLU 936 N -2.63 1.48 0.19 0.00 2.02 -1.26 -5.00 118.70 113.51 1qwu s GLU 936 Ca -0.07 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.46 1qwu s GLU 936 Cb 0.07 -2.07 0.11 0.00 0.10 0.00 0.00 34.13 32.34 1qwu s GLU 936 CO 0.87 -1.75 1.47 -0.91 0.02 0.00 0.00 175.26 174.96 1qwu h ASN 937 N -1.01 0.35 -3.84 -0.19 2.35 -1.97 -3.45 115.58 107.83 1qwu h ASN 937 Ca -0.43 -0.23 -0.44 0.00 -0.55 0.00 0.00 56.30 54.65 1qwu h ASN 937 Cb 1.28 -0.10 -0.31 0.00 0.05 0.00 0.00 38.32 39.23 1qwu h ASN 937 CO 0.48 0.96 -0.79 -0.70 -1.65 0.00 0.00 177.43 175.73 1qwu s GLU 938 N -3.57 1.00 -0.61 0.81 2.12 -1.26 -4.95 118.70 112.23 1qwu s GLU 938 Ca -0.04 -0.33 -0.09 0.00 0.36 0.00 0.00 54.97 54.87 1qwu s GLU 938 Cb 0.11 -0.93 0.16 0.00 0.26 0.00 0.00 34.13 33.72 1qwu s GLU 938 CO 0.82 0.13 0.49 -0.46 -0.54 0.00 0.00 175.26 175.70 1qwu s TRP 939 N 0.15 3.50 -0.04 5.30 -0.00 -1.26 -5.06 118.94 121.53 1qwu s TRP 939 Ca -0.03 -2.14 -0.30 0.00 -0.00 0.00 0.00 56.10 53.63 1qwu s TRP 939 Cb -0.08 -3.50 -0.04 0.00 -0.00 0.00 0.00 33.47 29.85 1qwu s TRP 939 CO 0.00 -0.95 1.18 0.42 -0.00 0.00 0.00 176.95 177.60 1qwu s ILE 940 N 0.63 4.29 0.00 5.86 1.01 -1.26 -3.29 121.20 128.44 1qwu s ILE 940 Ca 0.12 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1qwu s ILE 940 Cb -0.20 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1qwu s ILE 940 CO -0.04 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1qwu n GLY 941 N 3.30 0.72 3.59 6.18 0.00 -1.26 -4.80 105.19 112.91 1qwu n GLY 941 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1qwu n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwu n ALA 942 N -0.77 -0.25 -2.45 4.61 0.00 -1.21 -1.44 120.51 119.00 1qwu n ALA 942 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.57 1qwu n ALA 942 Cb 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.31 1qwu n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qwu s GLN 943 N -1.43 1.62 0.00 0.00 -0.21 0.52 -4.87 119.66 115.29 1qwu s GLN 943 Ca 0.60 -1.55 0.25 0.00 0.02 0.00 0.00 55.36 54.68 1qwu s GLN 943 Cb -0.71 -1.87 0.58 0.00 1.00 0.00 0.00 33.01 32.01 1qwu s GLN 943 CO 0.59 0.39 1.46 0.41 -2.12 0.00 0.00 175.29 176.02 1qwu n GLY 944 N 0.04 -1.28 3.54 3.09 0.00 -1.26 -4.71 105.19 104.60 1qwu n GLY 944 Ca -0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1qwu n GLY 944 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qwu s GLN 945 N -3.00 0.84 -0.02 1.61 0.74 -1.26 -1.42 119.66 117.14 1qwu s GLN 945 Ca 0.11 0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.60 1qwu s GLN 945 Cb 0.18 0.39 0.02 0.00 1.10 0.00 0.00 33.01 34.70 1qwu s GLN 945 CO 0.68 -0.29 0.04 0.12 -0.55 0.00 0.00 175.29 175.30 1qwu s PHE 946 N -1.59 -0.02 0.00 1.67 5.36 -0.81 -4.86 117.98 117.74 1qwu s PHE 946 Ca -0.04 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1qwu s PHE 946 Cb -0.00 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 1qwu s PHE 946 CO 0.02 -0.07 0.00 0.41 -1.46 0.00 0.00 175.22 174.12 1qwu n GLY 947 N 3.76 0.82 0.33 13.12 0.00 -1.26 -1.02 105.19 120.94 1qwu n GLY 947 Ca -0.22 0.00 0.19 0.00 0.00 0.00 0.00 46.02 45.99 1qwu n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qwu h GLY 948 N 0.00 0.00 -2.15 -0.02 0.00 -1.89 0.18 103.07 99.19 1qwu h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qwu h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1qwu n ASP 949 N -3.35 3.27 -4.76 0.19 5.75 -1.26 -4.95 116.55 111.45 1qwu n ASP 949 Ca -0.01 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 1qwu n ASP 949 Cb 0.23 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1qwu n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1qwu s HIS 950 N -1.68 3.24 0.33 2.11 3.76 0.05 -4.96 115.29 118.15 1qwu s HIS 950 Ca 0.35 1.41 -0.29 0.00 -0.15 0.00 0.00 55.06 56.38 1qwu s HIS 950 Cb 0.22 -3.56 -0.11 0.00 1.11 0.00 0.00 32.58 30.24 1qwu s HIS 950 CO 0.31 -1.57 1.48 -2.14 -0.85 0.00 0.00 174.74 171.97 1qwu s PRO 951 N -1.12 4.18 -0.65 8.40 0.02 -1.26 -4.67 135.00 139.89 1qwu s PRO 951 Ca 0.51 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.85 1qwu s PRO 951 Cb -0.37 -3.02 0.16 0.00 0.02 0.00 0.00 34.50 31.29 1qwu s PRO 951 CO 0.45 -0.49 0.62 0.45 -0.33 0.00 0.00 177.00 177.70 1qwu s SER 952 N 0.03 6.38 0.78 2.53 0.15 -1.26 -4.66 113.70 117.66 1qwu s SER 952 Ca 0.56 -2.05 -0.11 0.00 0.70 0.00 0.00 55.95 55.05 1qwu s SER 952 Cb -0.45 -2.22 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 1qwu s SER 952 CO 0.55 -0.80 1.09 0.00 1.20 0.00 0.00 173.24 175.29 1qwu s ALA 953 N 1.27 2.21 0.41 5.45 0.00 0.13 -2.58 121.76 128.65 1qwu s ALA 953 Ca 0.09 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.08 1qwu s ALA 953 Cb -0.23 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1qwu s ALA 953 CO -0.01 -1.82 1.21 -2.13 0.00 0.00 0.00 175.76 173.01 1qwu n ARG 954 N -3.55 1.80 0.22 0.00 0.63 -1.26 -4.69 116.66 109.81 1qwu n ARG 954 Ca 0.09 0.64 0.18 0.00 -0.92 0.00 0.00 57.85 57.84 1qwu n ARG 954 Cb 0.53 -2.28 0.84 0.00 0.45 0.00 0.00 32.46 31.99 1qwu n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1qwu h GLU 955 N 2.02 0.00 -0.04 -0.14 4.11 -1.96 -1.17 114.58 117.41 1qwu h GLU 955 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1qwu h GLU 955 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1qwu h GLU 955 CO 0.60 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.28 1qwu n ASP 956 N -3.47 1.51 -4.83 3.06 5.75 -1.26 -4.87 116.55 112.44 1qwu n ASP 956 Ca 0.02 -1.53 -0.36 0.00 -0.01 0.00 0.00 54.79 52.92 1qwu n ASP 956 Cb 0.40 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.41 1qwu n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qwu s LEU 957 N -1.93 4.15 0.03 -2.12 2.96 -0.44 -0.90 118.68 120.42 1qwu s LEU 957 Ca 0.37 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1qwu s LEU 957 Cb 0.20 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1qwu s LEU 957 CO 0.32 0.37 -0.06 -0.62 -1.32 0.00 0.00 176.35 175.04 1qwu s ASP 958 N -1.21 0.67 -0.98 3.68 2.15 0.50 -4.78 116.67 116.68 1qwu s ASP 958 Ca 0.17 -0.40 -0.14 0.00 0.43 0.00 0.00 52.55 52.61 1qwu s ASP 958 Cb -0.12 0.02 0.20 0.00 -0.30 0.00 0.00 42.92 42.72 1qwu s ASP 958 CO 0.07 -0.14 1.05 -0.69 -0.17 0.00 0.00 175.17 175.29 1qwu s VAL 959 N -1.02 5.36 0.34 1.11 1.01 -1.26 -1.25 120.40 124.68 1qwu s VAL 959 Ca -0.07 -2.46 0.05 0.00 0.00 0.00 0.00 61.98 59.50 1qwu s VAL 959 Cb -0.08 -4.66 0.30 0.00 0.00 0.00 0.00 36.38 31.94 1qwu s VAL 959 CO 0.00 -1.30 1.91 0.28 0.00 0.00 0.00 175.10 175.99 1qwu h SER 960 N 7.72 0.75 -3.61 3.32 0.02 -1.29 -3.42 113.55 117.04 1qwu h SER 960 Ca 0.17 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.88 1qwu h SER 960 Cb 0.97 -0.14 -0.31 0.00 0.14 0.00 0.00 62.40 63.06 1qwu h SER 960 CO 0.99 0.45 -0.71 -0.69 -1.14 0.00 0.00 176.83 175.73 1qwu s VAL 961 N -5.76 -0.03 -0.15 2.27 1.01 -1.10 -4.96 120.40 111.68 1qwu s VAL 961 Ca -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1qwu s VAL 961 Cb 0.20 -0.07 0.04 0.00 0.00 0.00 0.00 36.38 36.55 1qwu s VAL 961 CO 0.79 0.05 -0.05 -0.32 0.00 0.00 0.00 175.10 175.57 1qwu s MET 962 N 0.60 1.33 -0.05 2.72 0.00 -1.26 -1.01 119.30 121.64 1qwu s MET 962 Ca -0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 55.69 55.22 1qwu s MET 962 Cb -0.07 -1.83 0.04 0.00 0.00 0.00 0.00 34.83 32.96 1qwu s MET 962 CO -0.02 -0.40 0.09 0.50 0.00 0.00 0.00 175.02 175.19 1qwu s ARG 963 N 1.69 -0.02 0.03 4.11 3.52 0.11 -3.38 118.95 125.00 1qwu s ARG 963 Ca 0.02 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 1qwu s ARG 963 Cb -0.15 -0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 32.83 1qwu s ARG 963 CO -0.08 -0.28 1.21 0.50 -0.81 0.00 0.00 175.30 175.84 1qwu s ARG 964 N 1.91 4.40 0.00 5.12 3.52 -1.26 0.18 118.95 132.82 1qwu s ARG 964 Ca 0.01 1.75 0.23 0.00 -0.13 0.00 0.00 55.73 57.59 1qwu s ARG 964 Cb -0.12 -3.42 0.06 0.00 -1.56 0.00 0.00 34.95 29.91 1qwu s ARG 964 CO -0.04 -0.33 1.12 1.28 -0.81 0.00 0.00 175.30 176.52 1qwu n LEU 965 N 4.36 1.49 -4.35 -0.88 4.77 0.48 -4.91 117.00 117.96 1qwu n LEU 965 Ca 0.10 -0.56 -0.28 0.00 -0.03 0.00 0.00 56.01 55.23 1qwu n LEU 965 Cb 0.46 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1qwu n LEU 965 CO 0.56 0.30 -0.56 0.42 -1.33 0.00 0.00 177.39 176.78 1qwu s THR 966 N -2.67 2.08 0.67 -5.08 -4.23 -1.22 -4.95 115.64 100.24 1qwu s THR 966 Ca 0.16 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 1qwu s THR 966 Cb 0.18 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.20 1qwu s THR 966 CO 0.66 0.11 1.02 -0.54 -0.54 0.00 0.00 174.62 175.34 1qwu s LYS 967 N -1.82 2.69 0.53 3.99 1.02 -1.26 -4.88 119.74 120.01 1qwu s LYS 967 Ca 0.12 0.14 0.19 0.00 0.02 0.00 0.00 55.97 56.44 1qwu s LYS 967 Cb -0.10 -2.13 1.35 0.00 -0.52 0.00 0.00 37.83 36.43 1qwu s LYS 967 CO 0.05 -1.00 2.12 0.66 -0.92 0.00 0.00 175.35 176.26 1qwu h SER 968 N -0.51 0.00 0.38 2.83 4.64 -1.96 -2.19 113.55 116.74 1qwu h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qwu h SER 968 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1qwu h SER 968 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1qwu n SER 969 N -4.43 0.00 -4.68 4.97 3.41 -1.26 -4.74 113.62 106.89 1qwu n SER 969 Ca -0.00 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 1qwu n SER 969 Cb 0.20 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1qwu n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qwu s ALA 970 N -2.57 3.52 0.21 7.33 0.00 -0.83 -4.93 121.76 124.48 1qwu s ALA 970 Ca 0.19 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 1qwu s ALA 970 Cb 0.14 -3.48 0.23 0.00 0.00 0.00 0.00 23.12 20.01 1qwu s ALA 970 CO 0.31 -0.78 1.81 -0.22 0.00 0.00 0.00 175.76 176.88 1qwu h LYS 971 N 7.25 0.68 -4.55 0.00 3.64 -1.90 -3.35 116.57 118.33 1qwu h LYS 971 Ca -0.26 -0.04 -0.71 0.00 -1.27 0.00 0.00 60.65 58.36 1qwu h LYS 971 Cb 1.11 -0.15 -0.23 0.00 -0.41 0.00 0.00 32.23 32.55 1qwu h LYS 971 CO 0.90 0.45 -0.48 0.99 -2.27 0.00 0.00 179.45 179.04 1qwu s THR 972 N -6.10 4.87 0.39 1.00 2.01 -1.26 -4.75 115.64 111.80 1qwu s THR 972 Ca -0.13 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 1qwu s THR 972 Cb 0.16 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 1qwu s THR 972 CO 0.76 -0.26 1.00 -1.10 -0.69 0.00 0.00 174.62 174.33 1qwu s GLN 973 N 1.61 4.27 -0.03 4.92 -1.52 -0.61 -4.84 119.66 123.46 1qwu s GLN 973 Ca 0.03 1.38 0.02 0.00 -1.95 0.00 0.00 55.36 54.84 1qwu s GLN 973 Cb -0.19 -2.52 0.01 0.00 -0.22 0.00 0.00 33.01 30.08 1qwu s GLN 973 CO 0.08 -0.02 -0.08 1.03 -0.25 0.00 0.00 175.29 176.06 1qwu s ARG 974 N -2.54 0.85 -0.09 2.91 0.52 -1.26 -0.13 118.95 119.21 1qwu s ARG 974 Ca 0.57 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.55 1qwu s ARG 974 Cb -0.18 -0.81 0.01 0.00 0.52 0.00 0.00 34.95 34.49 1qwu s ARG 974 CO 0.23 0.08 -0.14 0.08 0.02 0.00 0.00 175.30 175.58 1qwu s VAL 975 N 0.27 1.32 -0.07 3.52 1.01 -0.18 -0.39 120.40 125.88 1qwu s VAL 975 Ca -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1qwu s VAL 975 Cb -0.09 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1qwu s VAL 975 CO 0.00 0.40 0.12 -0.83 0.00 0.00 0.00 175.10 174.80 1qwu s GLY 976 N 0.88 2.10 -0.02 4.51 0.00 0.13 -1.01 107.32 113.90 1qwu s GLY 976 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1qwu s GLY 976 CO 0.01 -0.54 -0.11 -0.19 0.00 0.00 0.00 173.10 172.27 1qwu s TYR 977 N -1.12 1.07 -0.21 1.90 1.51 0.72 0.06 117.35 121.28 1qwu s TYR 977 Ca 0.20 -0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1qwu s TYR 977 Cb -0.12 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1qwu s TYR 977 CO 0.10 -0.09 -0.03 0.08 -1.11 0.00 0.00 175.55 174.49 1qwu s VAL 978 N 0.08 3.49 -0.16 0.71 1.01 -0.18 -0.72 120.40 124.62 1qwu s VAL 978 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1qwu s VAL 978 Cb -0.08 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1qwu s VAL 978 CO 0.00 0.42 -0.07 -0.76 0.00 0.00 0.00 175.10 174.70 1qwu s LEU 979 N 1.36 3.00 -0.06 3.92 1.43 0.87 -0.75 118.68 128.46 1qwu s LEU 979 Ca 0.04 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1qwu s LEU 979 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1qwu s LEU 979 CO -0.02 0.12 -0.18 -2.28 0.23 0.00 0.00 176.35 174.22 1qwu s HIS 980 N 0.64 1.92 -0.15 0.29 5.65 -0.38 -1.37 115.29 121.88 1qwu s HIS 980 Ca -0.04 -0.65 0.00 0.00 0.25 0.00 0.00 55.06 54.62 1qwu s HIS 980 Cb -0.15 -1.31 -0.00 0.00 -1.18 0.00 0.00 32.58 29.95 1qwu s HIS 980 CO 0.02 -0.26 -0.16 0.50 -0.65 0.00 0.00 174.74 174.20 1qwu s ARG 981 N 0.25 3.20 0.00 2.88 3.52 -0.69 -0.37 118.95 127.73 1qwu s ARG 981 Ca -0.10 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1qwu s ARG 981 Cb -0.14 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1qwu s ARG 981 CO 0.04 0.01 0.00 -2.37 -0.81 0.00 0.00 175.30 172.17 1qwu n THR 982 N 4.06 0.00 -3.92 4.11 5.66 -0.08 0.20 114.28 124.31 1qwu n THR 982 Ca -0.19 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.56 1qwu n THR 982 Cb 0.52 -1.56 -0.17 0.00 -1.55 0.00 0.00 70.33 67.57 1qwu n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1qwu s ASN 983 N -1.00 1.83 -0.01 1.09 2.47 -1.26 -3.55 114.94 114.51 1qwu s ASN 983 Ca 0.00 -0.21 0.02 0.00 0.42 0.00 0.00 52.86 53.09 1qwu s ASN 983 Cb 0.00 -0.66 -0.03 0.00 -1.45 0.00 0.00 41.25 39.11 1qwu s ASN 983 CO 0.00 -0.13 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.46 1qwu s LEU 984 N 1.68 3.38 0.36 3.21 1.43 -1.26 -4.23 118.68 123.25 1qwu s LEU 984 Ca 0.03 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1qwu s LEU 984 Cb -0.13 -1.92 -0.10 0.00 0.03 0.00 0.00 46.19 44.07 1qwu s LEU 984 CO -0.06 0.29 1.36 -0.04 0.23 0.00 0.00 176.35 178.14 1qwu s MET 985 N -1.43 4.20 -0.36 1.70 -1.94 -0.34 -4.97 119.30 116.17 1qwu s MET 985 Ca 0.18 2.32 -0.25 0.00 -1.71 0.00 0.00 55.69 56.23 1qwu s MET 985 Cb -0.11 -2.98 0.01 0.00 2.01 0.00 0.00 34.83 33.76 1qwu s MET 985 CO 0.08 -0.36 0.90 -0.65 -0.01 0.00 0.00 175.02 174.99 1qwu s GLN 986 N -1.97 3.85 -0.11 2.03 -1.52 -1.26 -4.66 119.66 116.01 1qwu s GLN 986 Ca 0.52 0.57 0.14 0.00 -1.95 0.00 0.00 55.36 54.64 1qwu s GLN 986 Cb -0.42 -3.79 0.27 0.00 -0.22 0.00 0.00 33.01 28.85 1qwu s GLN 986 CO 0.56 -0.90 1.14 0.00 -0.25 0.00 0.00 175.29 175.83 1qwu n GLY 988 N -1.00 0.65 3.65 0.00 0.00 -1.26 -4.68 105.19 102.54 1qwu n GLY 988 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1qwu n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwu s THR 989 N -2.40 4.71 0.25 2.61 2.01 -1.26 -4.94 115.64 116.63 1qwu s THR 989 Ca 0.00 1.74 -0.03 0.00 0.31 0.00 0.00 61.69 63.71 1qwu s THR 989 Cb 0.00 -4.25 0.23 0.00 0.01 0.00 0.00 72.50 68.49 1qwu s THR 989 CO 0.00 -0.21 1.75 -0.65 -0.69 0.00 0.00 174.62 174.82 1qwu h PRO 990 N 7.71 0.52 -5.14 4.92 0.11 -2.05 -3.47 132.00 134.60 1qwu h PRO 990 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1qwu h PRO 990 Cb 1.07 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1qwu h PRO 990 CO 0.94 0.35 -0.20 0.39 -0.21 0.00 0.00 178.00 179.27 1qwu n GLU 991 N -4.93 -0.86 0.00 1.05 1.02 -1.26 -5.00 120.64 110.66 1qwu n GLU 991 Ca 0.16 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1qwu n GLU 991 Cb 0.42 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1qwu n GLU 991 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qwu n GLU 992 N 1.99 3.99 -0.95 3.49 -0.58 -1.26 -5.01 120.64 122.31 1qwu n GLU 992 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1qwu n GLU 992 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1qwu n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1qwu n HIS 993 N 0.00 -0.10 -4.14 -0.32 1.44 -1.26 -5.01 115.22 105.82 1qwu n HIS 993 Ca 0.00 0.04 -0.13 0.00 -2.01 0.00 0.00 57.72 55.62 1qwu n HIS 993 Cb 0.00 -0.11 -0.11 0.00 0.12 0.00 0.00 29.99 29.89 1qwu n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1qwu s THR 994 N -0.10 0.78 0.02 0.61 -4.23 -1.26 -5.07 115.64 106.40 1qwu s THR 994 Ca 0.01 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1qwu s THR 994 Cb -0.00 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1qwu s THR 994 CO 0.03 -0.56 0.24 -1.10 -0.54 0.00 0.00 174.62 172.70 1qwu s GLN 995 N -2.63 3.52 0.23 3.99 -0.21 -1.07 -4.95 119.66 118.55 1qwu s GLN 995 Ca 0.02 -0.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.90 1qwu s GLN 995 Cb -0.03 -3.05 -0.10 0.00 1.00 0.00 0.00 33.01 30.83 1qwu s GLN 995 CO -0.01 0.63 1.42 0.21 -2.12 0.00 0.00 175.29 175.42 1qwu s LYS 996 N -2.01 4.29 -0.32 2.91 2.20 -1.26 -4.12 119.74 121.43 1qwu s LYS 996 Ca 0.30 2.24 -0.11 0.00 -0.36 0.00 0.00 55.97 58.04 1qwu s LYS 996 Cb -0.13 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1qwu s LYS 996 CO 0.19 -0.39 0.20 -1.17 -0.36 0.00 0.00 175.35 173.82 1qwu s LEU 997 N -0.21 4.28 -0.46 5.43 2.96 -1.26 -4.89 118.68 124.53 1qwu s LEU 997 Ca 0.59 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1qwu s LEU 997 Cb -0.41 -2.07 0.12 0.00 0.50 0.00 0.00 46.19 44.33 1qwu s LEU 997 CO 0.41 -0.20 0.25 -0.62 -1.32 0.00 0.00 176.35 174.87 1qwu s ASP 998 N 1.68 5.15 0.58 3.68 3.68 -1.26 -4.63 116.67 125.55 1qwu s ASP 998 Ca 0.06 -2.31 0.32 0.00 2.13 0.00 0.00 52.55 52.75 1qwu s ASP 998 Cb -0.17 -1.81 1.82 0.00 -1.45 0.00 0.00 42.92 41.31 1qwu s ASP 998 CO 0.09 -0.47 2.22 -0.37 0.13 0.00 0.00 175.17 176.77 1qwu h VAL 999 N 6.07 0.44 0.00 1.11 -1.51 -1.96 -1.85 116.25 118.55 1qwu h VAL 999 Ca -0.09 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1qwu h VAL 999 Cb 1.01 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1qwu h VAL 999 CO 0.68 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 177.06 1qwu n HIS 1001N -3.05 1.09 0.13 0.00 8.25 -0.70 -4.47 115.22 116.47 1qwu n HIS 1001Ca -0.00 -0.63 -0.01 0.00 -0.26 0.00 0.00 57.72 56.82 1qwu n HIS 1001Cb 0.23 -0.19 0.25 0.00 1.12 0.00 0.00 29.99 31.40 1qwu n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qwu h LEU 1002N 3.08 0.12 -9.52 2.41 3.38 -1.48 -3.42 115.31 109.87 1qwu h LEU 1002Ca 0.00 -0.05 -0.65 0.00 0.09 0.00 0.00 57.88 57.27 1qwu h LEU 1002Cb 1.24 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1qwu h LEU 1002CO 0.16 0.55 -0.63 -0.76 0.09 0.00 0.00 178.44 177.85 1qwu s LEU 1003N -8.08 3.62 0.86 1.67 1.02 -1.26 -5.12 118.68 111.40 1qwu s LEU 1003Ca -0.03 -0.07 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 1qwu s LEU 1003Cb 0.13 -2.28 0.11 0.00 0.02 0.00 0.00 46.19 44.17 1qwu s LEU 1003CO 0.76 0.20 1.16 -2.16 0.02 0.00 0.00 176.35 176.32 1qwu s PRO 1004N -2.19 1.53 -1.37 1.29 0.04 -1.26 -4.30 135.00 128.74 1qwu s PRO 1004Ca 0.26 0.21 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 1qwu s PRO 1004Cb -0.12 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1qwu s PRO 1004CO 0.18 -1.92 1.13 0.09 0.04 0.00 0.00 177.00 176.53 1qwu n ASN 1005N -3.56 -5.59 -4.74 6.66 3.02 -1.26 -4.78 115.26 105.02 1qwu n ASN 1005Ca 0.07 -0.59 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 1qwu n ASN 1005Cb 0.60 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.88 1qwu n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qwu s VAL 1006N -3.33 3.32 -0.01 2.41 0.11 -1.26 -2.33 120.40 119.31 1qwu s VAL 1006Ca 0.52 1.11 0.05 0.00 -2.93 0.00 0.00 61.98 60.73 1qwu s VAL 1006Cb -0.24 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 30.82 1qwu s VAL 1006CO 0.75 0.18 0.11 0.00 -3.33 0.00 0.00 175.10 172.81 1qwu n ALA 1007N 2.47 2.19 -3.45 1.54 0.00 0.56 -4.91 120.51 118.90 1qwu n ALA 1007Ca 0.05 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1qwu n ALA 1007Cb 0.43 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1qwu n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1qwu s ARG 1008N -2.36 0.97 -0.05 0.00 3.52 -1.14 -4.99 118.95 114.89 1qwu s ARG 1008Ca -0.02 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1qwu s ARG 1008Cb 0.03 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 1qwu s ARG 1008CO 0.22 -0.29 0.02 0.00 -0.81 0.00 0.00 175.30 174.44 1qwu s GLU 1010N 1.87 1.36 0.09 0.00 2.02 -0.36 -0.54 118.70 123.14 1qwu s GLU 1010Ca 0.02 -0.69 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 1qwu s GLU 1010Cb -0.12 -1.35 -0.07 0.00 0.10 0.00 0.00 34.13 32.69 1qwu s GLU 1010CO -0.04 0.36 0.66 0.50 0.02 0.00 0.00 175.26 176.77 1qwu s ARG 1011N -0.61 4.37 0.28 1.61 3.52 0.48 -0.45 118.95 128.14 1qwu s ARG 1011Ca 0.06 0.91 0.03 0.00 -0.13 0.00 0.00 55.73 56.59 1qwu s ARG 1011Cb -0.07 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1qwu s ARG 1011CO -0.00 0.53 0.16 0.95 -0.81 0.00 0.00 175.30 176.14 1qwu s THR 1012N -0.85 0.23 0.83 4.11 -4.23 -0.15 -0.08 115.64 115.49 1qwu s THR 1012Ca 0.32 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.72 1qwu s THR 1012Cb -0.21 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.21 1qwu s THR 1012CO 0.21 0.00 1.13 0.42 -0.54 0.00 0.00 174.62 175.85 1qwu s THR 1013N -3.73 2.59 0.42 3.99 -4.23 -0.71 -3.90 115.64 110.07 1qwu s THR 1013Ca 0.37 0.21 0.35 0.00 -1.18 0.00 0.00 61.69 61.44 1qwu s THR 1013Cb 0.05 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.76 1qwu s THR 1013CO 0.17 -0.24 2.06 -0.07 -0.54 0.00 0.00 174.62 176.01 1qwu h LEU 1014N -1.31 0.00 -0.90 4.79 3.38 -1.65 0.13 115.31 119.74 1qwu h LEU 1014Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qwu h LEU 1014Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1qwu h LEU 1014CO 0.47 0.00 -0.06 0.35 0.09 0.00 0.00 178.44 179.29 1qwu n THR 1015N -2.79 0.00 -0.97 0.22 -2.24 -1.26 -4.93 114.28 102.31 1qwu n THR 1015Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1qwu n THR 1015Cb 0.13 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1qwu n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1qwu n PHE 1016N 0.05 0.00 0.51 4.78 0.99 0.44 -4.89 117.46 119.33 1qwu n PHE 1016Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.75 1qwu n PHE 1016Cb 0.36 -1.37 0.24 0.00 -1.00 0.00 0.00 39.48 37.71 1qwu n PHE 1016CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1qwu h LEU 1017N 0.00 0.00 -7.60 4.37 3.38 -1.92 -3.45 115.31 110.09 1qwu h LEU 1017Ca 0.00 -0.10 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 1qwu h LEU 1017Cb 0.64 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.04 1qwu h LEU 1017CO 0.00 0.05 -0.75 -1.58 0.09 0.00 0.00 178.44 176.25 1qwu s GLN 1018N -3.16 0.40 0.01 1.13 0.74 -1.26 -5.01 119.66 112.50 1qwu s GLN 1018Ca 0.07 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.25 1qwu s GLN 1018Cb 0.12 -0.59 -0.04 0.00 1.10 0.00 0.00 33.01 33.59 1qwu s GLN 1018CO 0.68 -0.16 1.13 -0.80 -0.55 0.00 0.00 175.29 175.59 1qwu s ASN 1019N 1.18 7.16 -0.05 6.67 0.01 -1.26 -1.73 114.94 126.91 1qwu s ASN 1019Ca -0.08 1.85 0.07 0.00 -0.71 0.00 0.00 52.86 54.00 1qwu s ASN 1019Cb -0.13 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 38.85 1qwu s ASN 1019CO -0.02 -0.44 0.09 0.18 -1.51 0.00 0.00 177.10 175.40 1qwu n LEU 1020N 4.26 0.00 -3.69 0.60 4.77 0.89 -4.96 117.00 118.87 1qwu n LEU 1020Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1qwu n LEU 1020Cb 0.48 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1qwu n LEU 1020CO 0.54 0.11 0.14 -0.70 -1.33 0.00 0.00 177.39 176.15 1qwu s GLU 1021N -2.34 0.49 -0.30 3.23 2.12 -0.77 -4.96 118.70 116.18 1qwu s GLU 1021Ca -0.03 0.83 -0.17 0.00 0.36 0.00 0.00 54.97 55.95 1qwu s GLU 1021Cb 0.03 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.49 1qwu s GLU 1021CO 0.32 -0.13 0.48 -1.58 -0.54 0.00 0.00 175.26 173.81 1qwu s HIS 1022N 1.12 3.22 -0.14 5.30 5.65 -1.26 -0.39 115.29 128.79 1qwu s HIS 1022Ca -0.07 0.37 -0.19 0.00 0.25 0.00 0.00 55.06 55.42 1qwu s HIS 1022Cb -0.06 -2.79 -0.04 0.00 -1.18 0.00 0.00 32.58 28.51 1qwu s HIS 1022CO -0.10 -0.39 0.54 -0.51 -0.65 0.00 0.00 174.74 173.63 1qwu s LEU 1023N 2.30 4.23 0.35 8.88 1.43 0.30 -4.99 118.68 131.17 1qwu s LEU 1023Ca 0.19 0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 1qwu s LEU 1023Cb -0.16 -2.79 -0.11 0.00 0.03 0.00 0.00 46.19 43.17 1qwu s LEU 1023CO 0.11 -0.10 1.47 -1.81 0.23 0.00 0.00 176.35 176.25 1qwu s ASP 1024N 0.85 6.44 0.00 2.29 -0.00 -1.26 -1.68 116.67 123.31 1qwu s ASP 1024Ca 0.28 2.95 0.00 0.00 -0.00 0.00 0.00 52.55 55.78 1qwu s ASP 1024Cb -0.16 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 40.11 1qwu s ASP 1024CO 0.11 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.08 1qwu n GLY 1025N 0.87 0.13 3.83 0.21 0.00 -1.26 -2.17 105.19 106.80 1qwu n GLY 1025Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1qwu n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qwu n MET 1026N -0.31 -6.17 -4.09 1.61 2.81 -0.68 -4.96 117.12 105.34 1qwu n MET 1026Ca 0.00 0.66 -0.34 0.00 -1.81 0.00 0.00 57.70 56.20 1qwu n MET 1026Cb 0.31 -5.60 -0.14 0.00 -0.71 0.00 0.00 33.22 27.08 1qwu n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qwu s VAL 1027N -3.30 3.14 -0.51 2.03 1.01 -0.92 -4.65 120.40 117.19 1qwu s VAL 1027Ca 0.65 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1qwu s VAL 1027Cb -0.32 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1qwu s VAL 1027CO 0.80 0.46 0.91 0.00 0.00 0.00 0.00 175.10 177.27 1qwu s ALA 1028N 1.24 3.20 0.74 5.51 0.00 -1.26 -4.73 121.76 126.46 1qwu s ALA 1028Ca 0.03 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1qwu s ALA 1028Cb -0.14 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.35 1qwu s ALA 1028CO -0.03 -2.22 1.12 -1.25 0.00 0.00 0.00 175.76 173.38 1qwu s PRO 1029N 3.77 2.32 0.61 0.00 0.04 -1.26 -4.47 135.00 136.01 1qwu s PRO 1029Ca 0.32 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 1qwu s PRO 1029Cb -0.12 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1qwu s PRO 1029CO 0.21 -1.62 1.03 -1.21 0.04 0.00 0.00 177.00 175.45 1qwu s GLU 1030N -4.40 3.58 0.52 4.56 2.02 -1.26 -5.03 118.70 118.69 1qwu s GLU 1030Ca 0.66 0.81 -0.01 0.00 0.02 0.00 0.00 54.97 56.45 1qwu s GLU 1030Cb -0.21 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 31.96 1qwu s GLU 1030CO 0.49 -0.58 0.77 0.14 0.02 0.00 0.00 175.26 176.10 1qwu s VAL 1031N -3.06 3.45 0.62 2.63 -7.23 -1.26 -5.10 120.40 110.44 1qwu s VAL 1031Ca 0.56 -0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 60.21 1qwu s VAL 1031Cb -0.11 -3.31 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 1qwu s VAL 1031CO 0.50 -0.25 0.99 0.00 -0.31 0.00 0.00 175.10 176.04 1qwu n PRO 1033N -2.72 2.20 -0.97 0.00 -0.02 -1.26 -1.12 135.00 131.12 1qwu n PRO 1033Ca 0.05 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1qwu n PRO 1033Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1qwu n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1qwu n MET 1034N 2.45 -0.68 -4.07 -0.52 2.81 0.13 -4.92 117.12 112.32 1qwu n MET 1034Ca 0.12 0.17 -0.22 0.00 -1.81 0.00 0.00 57.70 55.97 1qwu n MET 1034Cb 0.32 -3.73 -0.04 0.00 -0.71 0.00 0.00 33.22 29.07 1qwu n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1qwu s GLU 1035N -0.74 3.08 -0.02 0.03 0.41 -0.27 -4.93 118.70 116.26 1qwu s GLU 1035Ca 0.00 -0.96 0.01 0.00 -0.41 0.00 0.00 54.97 53.61 1qwu s GLU 1035Cb 0.00 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 29.70 1qwu s GLU 1035CO 0.00 0.41 -0.02 0.99 -0.49 0.00 0.00 175.26 176.16 1qwu s THR 1036N -2.07 0.27 0.09 3.63 2.01 -1.26 -1.71 115.64 116.60 1qwu s THR 1036Ca 0.33 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1qwu s THR 1036Cb -0.08 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1qwu s THR 1036CO 0.26 0.14 -0.05 0.00 -0.69 0.00 0.00 174.62 174.27 1qwu s ALA 1037N 0.64 0.91 -0.01 7.40 0.00 -0.47 -4.98 121.76 125.25 1qwu s ALA 1037Ca -0.07 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.61 1qwu s ALA 1037Cb -0.10 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1qwu s ALA 1037CO -0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 175.76 175.30 1qwu s ALA 1038N -3.68 1.51 0.06 0.00 0.00 -1.25 -0.09 121.76 118.30 1qwu s ALA 1038Ca 0.12 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1qwu s ALA 1038Cb 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1qwu s ALA 1038CO -0.05 0.37 -0.11 0.71 0.00 0.00 0.00 175.76 176.67 1qwu s TYR 1039N -0.45 0.96 -0.09 0.00 1.51 0.10 -0.98 117.35 118.39 1qwu s TYR 1039Ca 0.07 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1qwu s TYR 1039Cb -0.07 -0.55 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1qwu s TYR 1039CO -0.01 -0.01 -0.11 0.08 -1.11 0.00 0.00 175.55 174.40 1qwu s VAL 1040N -1.29 1.17 -0.08 0.71 1.01 0.40 -0.20 120.40 122.11 1qwu s VAL 1040Ca -0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1qwu s VAL 1040Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1qwu s VAL 1040CO 0.01 0.38 0.05 -0.94 0.00 0.00 0.00 175.10 174.59 1qwu s SER 1041N 1.11 5.57 -0.07 3.32 1.04 -0.18 -1.23 113.70 123.26 1qwu s SER 1041Ca -0.06 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1qwu s SER 1041Cb -0.14 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 1qwu s SER 1041CO -0.02 0.37 -0.09 -0.44 0.98 0.00 0.00 173.24 174.04 1qwu s SER 1042N -1.05 4.43 -0.01 7.02 0.01 -0.04 -1.01 113.70 123.06 1qwu s SER 1042Ca 0.15 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.35 1qwu s SER 1042Cb -0.12 -1.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.94 1qwu s SER 1042CO 0.04 0.33 -0.13 -1.00 0.41 0.00 0.00 173.24 172.89 1qwu s HIS 1043N -0.60 1.12 -3.00 2.43 3.76 0.82 -0.32 115.29 119.50 1qwu s HIS 1043Ca 0.09 -0.22 0.24 0.00 -0.15 0.00 0.00 55.06 55.01 1qwu s HIS 1043Cb -0.12 -0.72 0.19 0.00 1.11 0.00 0.00 32.58 33.05 1qwu s HIS 1043CO 0.02 -0.01 1.26 -1.13 -0.85 0.00 0.00 174.74 174.02