#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wt3 s VAL 64 N 0.00 2.06 0.39 1.12 -7.23 -1.26 -4.97 120.40 110.51 1wt3 s VAL 64 Ca 0.00 0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 1wt3 s VAL 64 Cb 0.00 -3.03 -0.09 0.00 0.56 0.00 0.00 36.38 33.83 1wt3 s VAL 64 CO 0.00 0.00 1.21 -0.55 -0.31 0.00 0.00 175.10 175.45 1wt3 s SER 65 N -0.83 6.52 0.54 4.85 0.15 -1.26 -5.02 113.70 118.64 1wt3 s SER 65 Ca 0.69 2.45 -0.18 0.00 0.70 0.00 0.00 55.95 59.61 1wt3 s SER 65 Cb -0.41 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.21 1wt3 s SER 65 CO 0.50 -0.69 1.04 -0.76 1.20 0.00 0.00 173.24 174.54 1wt3 s LEU 66 N -2.38 3.67 0.76 3.45 1.43 -1.26 -5.05 118.68 119.30 1wt3 s LEU 66 Ca 0.56 1.85 -0.09 0.00 -1.03 0.00 0.00 54.13 55.42 1wt3 s LEU 66 Cb -0.33 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.43 1wt3 s LEU 66 CO 0.42 -0.95 1.09 -2.16 0.23 0.00 0.00 176.35 174.99 1wt3 s PRO 67 N -3.69 1.97 0.30 1.29 0.04 -1.26 -4.99 135.00 128.65 1wt3 s PRO 67 Ca 0.65 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 1wt3 s PRO 67 Cb -0.16 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 1wt3 s PRO 67 CO 0.29 -1.46 1.58 0.50 0.04 0.00 0.00 177.00 177.95 1wt3 s ARG 68 N -5.40 4.13 0.02 4.56 3.52 -1.26 -4.99 118.95 119.53 1wt3 s ARG 68 Ca 0.62 2.56 0.01 0.00 -0.13 0.00 0.00 55.73 58.79 1wt3 s ARG 68 Cb -0.10 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1wt3 s ARG 68 CO 0.47 -0.61 -0.04 -1.64 -0.81 0.00 0.00 175.30 172.66 1wt3 s MET 69 N -0.62 0.35 -0.19 5.12 -1.94 -1.26 -5.14 119.30 115.61 1wt3 s MET 69 Ca 0.62 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1wt3 s MET 69 Cb -0.47 -0.13 0.01 0.00 2.01 0.00 0.00 34.83 36.24 1wt3 s MET 69 CO 0.49 0.02 -0.14 0.08 -0.01 0.00 0.00 175.02 175.46 1wt3 s VAL 70 N -0.94 2.58 0.20 -6.03 1.01 -1.26 -5.10 120.40 110.86 1wt3 s VAL 70 Ca -0.08 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1wt3 s VAL 70 Cb -0.07 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1wt3 s VAL 70 CO -0.00 0.50 0.68 -0.72 0.00 0.00 0.00 175.10 175.55 1wt3 s TYR 71 N 1.33 -0.37 0.23 5.22 -0.85 -1.26 -5.14 117.35 116.51 1wt3 s TYR 71 Ca 0.05 0.05 -0.32 0.00 -0.52 0.00 0.00 57.07 56.33 1wt3 s TYR 71 Cb -0.14 0.63 -0.14 0.00 0.38 0.00 0.00 41.96 42.69 1wt3 s TYR 71 CO -0.09 -1.00 1.40 -2.30 -1.52 0.00 0.00 175.55 172.04 1wt3 n PRO 72 N -0.41 1.96 -0.10 -3.49 -0.02 -1.26 -4.91 135.00 126.77 1wt3 n PRO 72 Ca -0.11 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1wt3 n PRO 72 Cb 0.62 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1wt3 n PRO 72 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1wt3 h GLN 73 N 4.23 -0.14 0.00 -0.52 4.15 -2.03 -3.48 115.11 117.31 1wt3 h GLN 73 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1wt3 h GLN 73 Cb 1.28 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1wt3 h GLN 73 CO 0.76 -0.10 0.00 -1.13 -1.93 0.00 0.00 178.83 176.43 1wt3 n SER 74 N -4.00 0.00 -4.39 -0.69 3.41 -1.26 -5.08 113.62 101.61 1wt3 n SER 74 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.15 1wt3 n SER 74 Cb 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1wt3 n SER 74 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wt3 s LYS 75 N -5.57 2.98 0.41 4.33 1.02 -1.26 -4.94 119.74 116.70 1wt3 s LYS 75 Ca 0.00 -1.34 0.16 0.00 0.02 0.00 0.00 55.97 54.81 1wt3 s LYS 75 Cb 0.00 -4.13 1.04 0.00 -0.52 0.00 0.00 37.83 34.22 1wt3 s LYS 75 CO 0.00 -1.02 1.86 0.28 -0.92 0.00 0.00 175.35 175.54 1wt3 h VAL 76 N 5.75 0.70 -0.61 3.17 2.07 -2.02 -0.77 116.25 124.54 1wt3 h VAL 76 Ca -0.28 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1wt3 h VAL 76 Cb 1.11 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1wt3 h VAL 76 CO 0.88 0.08 0.00 0.18 0.02 0.00 0.00 177.57 178.73 1wt3 n LEU 77 N -4.53 5.17 -3.80 2.57 4.77 -1.26 -4.82 117.00 115.11 1wt3 n LEU 77 Ca 0.19 -2.62 -0.27 0.00 -0.03 0.00 0.00 56.01 53.28 1wt3 n LEU 77 Cb 0.66 -0.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.95 1wt3 n LEU 77 CO 0.30 0.72 -0.39 -0.89 -1.33 0.00 0.00 177.39 175.81 1wt3 s THR 78 N -2.25 0.75 0.39 -5.08 2.01 -0.30 -5.13 115.64 106.04 1wt3 s THR 78 Ca 0.52 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 1wt3 s THR 78 Cb 0.37 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 1wt3 s THR 78 CO 0.21 -0.07 1.33 -2.84 -0.69 0.00 0.00 174.62 172.56 1wt3 s PRO 79 N 1.77 4.03 0.43 4.92 0.02 -1.26 -4.67 135.00 140.24 1wt3 s PRO 79 Ca -0.01 2.24 0.22 0.00 0.02 0.00 0.00 61.00 63.47 1wt3 s PRO 79 Cb -0.16 -2.83 0.90 0.00 0.02 0.00 0.00 34.50 32.43 1wt3 s PRO 79 CO -0.07 -0.47 1.83 0.00 -0.33 0.00 0.00 177.00 177.96 1wt3 s ARG 81 N -3.74 0.19 0.00 0.00 1.81 -1.26 -4.89 118.95 111.06 1wt3 s ARG 81 Ca -0.00 0.29 0.07 0.00 -1.72 0.00 0.00 55.73 54.37 1wt3 s ARG 81 Cb 0.11 0.04 0.05 0.00 -0.45 0.00 0.00 34.95 34.70 1wt3 s ARG 81 CO 0.65 -0.06 0.71 1.63 -0.68 0.00 0.00 175.30 177.56 1wt3 n LYS 82 N 3.29 0.15 -0.00 3.54 5.02 -1.26 -4.59 118.16 124.30 1wt3 n LYS 82 Ca -0.16 -0.90 0.07 0.00 -2.02 0.00 0.00 58.31 55.31 1wt3 n LYS 82 Cb 0.57 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 1wt3 n LYS 82 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1wt3 n ASP 83 N 0.36 1.00 -4.15 4.39 3.85 -1.26 -5.04 116.55 115.69 1wt3 n ASP 83 Ca 0.04 -0.53 -0.10 0.00 -0.71 0.00 0.00 54.79 53.50 1wt3 n ASP 83 Cb 0.18 1.27 -0.10 0.00 -1.35 0.00 0.00 41.12 41.12 1wt3 n ASP 83 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1wt3 s VAL 84 N -2.67 0.24 -0.16 2.12 -7.23 -1.26 -5.11 120.40 106.33 1wt3 s VAL 84 Ca 0.01 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 1wt3 s VAL 84 Cb 0.11 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1wt3 s VAL 84 CO 0.63 -0.58 0.88 -0.22 -0.31 0.00 0.00 175.10 175.50 1wt3 s LEU 85 N -3.05 4.19 0.00 1.32 2.96 -1.26 -4.90 118.68 117.94 1wt3 s LEU 85 Ca 0.21 1.27 0.15 0.00 -0.22 0.00 0.00 54.13 55.53 1wt3 s LEU 85 Cb 0.07 -3.32 0.28 0.00 0.50 0.00 0.00 46.19 43.72 1wt3 s LEU 85 CO -0.00 -0.42 1.18 1.33 -1.32 0.00 0.00 176.35 177.11 1wt3 n VAL 86 N 4.70 0.51 -3.70 1.68 0.24 -1.26 -4.76 118.33 115.74 1wt3 n VAL 86 Ca 0.06 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.48 1wt3 n VAL 86 Cb 0.49 0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 33.67 1wt3 n VAL 86 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wt3 s VAL 87 N -1.15 -0.00 0.66 3.34 0.11 -1.26 -1.24 120.40 120.86 1wt3 s VAL 87 Ca 0.25 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 59.23 1wt3 s VAL 87 Cb 0.15 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1wt3 s VAL 87 CO 0.21 0.00 1.00 0.42 -3.33 0.00 0.00 175.10 173.40 1wt3 s THR 88 N 0.47 3.25 0.42 5.04 -4.23 0.40 -4.90 115.64 116.09 1wt3 s THR 88 Ca -0.02 0.11 0.36 0.00 -1.18 0.00 0.00 61.69 60.96 1wt3 s THR 88 Cb -0.04 -3.35 0.36 0.00 1.34 0.00 0.00 72.50 70.80 1wt3 s THR 88 CO -0.02 -0.41 2.10 -0.65 -0.54 0.00 0.00 174.62 175.10 1wt3 h PRO 89 N -0.46 0.00 -0.53 3.99 0.11 -2.03 0.65 132.00 133.73 1wt3 h PRO 89 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1wt3 h PRO 89 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1wt3 h PRO 89 CO 0.62 0.00 0.06 -2.67 -0.21 0.00 0.00 178.00 175.80 1wt3 n TRP 90 N -2.81 1.87 -2.52 0.65 2.14 -1.26 -4.95 117.44 110.56 1wt3 n TRP 90 Ca -0.02 -0.90 -0.17 0.00 2.07 0.00 0.00 57.50 58.47 1wt3 n TRP 90 Cb 0.11 -0.51 0.01 0.00 -0.81 0.00 0.00 31.31 30.11 1wt3 n TRP 90 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1wt3 n LEU 91 N 0.11 -2.03 -4.80 5.67 4.77 0.22 -5.02 117.00 115.93 1wt3 n LEU 91 Ca 0.29 -0.09 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 1wt3 n LEU 91 Cb 1.17 -2.48 -0.07 0.00 -2.33 0.00 0.00 43.42 39.71 1wt3 n LEU 91 CO 0.31 -0.04 -0.13 0.00 -1.33 0.00 0.00 177.39 176.19 1wt3 s ALA 92 N -2.92 3.76 0.48 -1.18 0.00 -1.25 -4.85 121.76 115.81 1wt3 s ALA 92 Ca 0.09 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 1wt3 s ALA 92 Cb -0.04 -2.13 -0.07 0.00 0.00 0.00 0.00 23.12 20.88 1wt3 s ALA 92 CO 0.11 0.38 1.15 -1.25 0.00 0.00 0.00 175.76 176.15 1wt3 s PRO 93 N -0.36 3.64 -0.30 0.00 0.04 -1.26 -0.45 135.00 136.31 1wt3 s PRO 93 Ca 0.13 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 1wt3 s PRO 93 Cb -0.12 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1wt3 s PRO 93 CO 0.03 -0.63 0.09 0.42 0.04 0.00 0.00 177.00 176.94 1wt3 s ILE 94 N -1.63 3.96 -0.52 0.56 1.01 -0.37 -1.12 121.20 123.07 1wt3 s ILE 94 Ca 0.66 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 1wt3 s ILE 94 Cb -0.26 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1wt3 s ILE 94 CO 0.31 0.04 1.39 -0.69 0.00 0.00 0.00 174.94 175.99 1wt3 s VAL 95 N 1.49 3.85 0.16 2.92 1.01 0.09 -4.70 120.40 125.23 1wt3 s VAL 95 Ca 0.02 0.77 0.10 0.00 0.00 0.00 0.00 61.98 62.87 1wt3 s VAL 95 Cb -0.17 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1wt3 s VAL 95 CO 0.03 -1.08 -0.21 0.26 0.00 0.00 0.00 175.10 174.10 1wt3 s TRP 96 N 5.78 2.00 0.28 5.22 0.52 -1.26 -2.49 118.94 128.99 1wt3 s TRP 96 Ca 0.54 -0.42 -0.30 0.00 0.02 0.00 0.00 56.10 55.94 1wt3 s TRP 96 Cb -0.11 -1.01 -0.11 0.00 -1.15 0.00 0.00 33.47 31.09 1wt3 s TRP 96 CO 0.27 0.37 1.57 -2.00 0.02 0.00 0.00 176.95 177.18 1wt3 s GLU 97 N -2.59 4.15 0.00 4.98 2.56 -1.26 -1.76 118.70 124.79 1wt3 s GLU 97 Ca 0.16 2.53 0.00 0.00 0.00 0.00 0.00 54.97 57.65 1wt3 s GLU 97 Cb -0.07 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 33.02 1wt3 s GLU 97 CO 0.07 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 1wt3 n GLY 98 N 2.18 3.16 0.18 -1.50 0.00 -1.26 -4.91 105.19 103.03 1wt3 n GLY 98 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1wt3 n GLY 98 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wt3 h THR 99 N 0.00 0.08 -3.65 2.61 1.35 -1.68 -3.47 112.91 108.14 1wt3 h THR 99 Ca 0.00 -1.12 -0.50 0.00 -0.55 0.00 0.00 66.41 64.24 1wt3 h THR 99 Cb 0.00 1.88 -0.20 0.00 -1.73 0.00 0.00 68.15 68.10 1wt3 h THR 99 CO 0.00 0.04 -0.79 0.72 -0.25 0.00 0.00 175.52 175.24 1wt3 s PHE 100 N -3.23 1.65 -0.40 4.73 -0.12 -1.26 -5.05 117.98 114.30 1wt3 s PHE 100 Ca 0.04 -0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 56.33 1wt3 s PHE 100 Cb 0.07 -0.87 0.04 0.00 -0.63 0.00 0.00 43.02 41.63 1wt3 s PHE 100 CO 0.72 0.22 0.26 1.21 -0.05 0.00 0.00 175.22 177.57 1wt3 s ASN 101 N -2.25 5.85 0.47 1.98 3.84 -1.26 -4.95 114.94 118.61 1wt3 s ASN 101 Ca 0.09 -1.10 0.21 0.00 0.21 0.00 0.00 52.86 52.27 1wt3 s ASN 101 Cb -0.07 -2.07 1.16 0.00 -0.55 0.00 0.00 41.25 39.72 1wt3 s ASN 101 CO 0.04 -0.46 1.99 -0.29 -2.79 0.00 0.00 177.10 175.60 1wt3 h ILE 102 N 5.85 0.86 -0.36 -5.21 6.09 -1.99 -2.73 117.51 120.02 1wt3 h ILE 102 Ca -0.26 -0.73 -0.03 0.00 -1.37 0.00 0.00 64.86 62.47 1wt3 h ILE 102 Cb 1.10 1.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.81 1wt3 h ILE 102 CO 0.72 0.19 0.09 0.44 -3.07 0.00 0.00 178.15 176.52 1wt3 h ASP 103 N 0.00 0.54 -0.22 2.19 3.32 -1.99 0.12 116.42 120.37 1wt3 h ASP 103 Ca -0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1wt3 h ASP 103 Cb 0.41 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1wt3 h ASP 103 CO 0.02 0.63 0.09 0.40 -1.72 0.00 0.00 179.24 178.66 1wt3 h ILE 104 N 0.42 1.16 -0.73 0.35 2.04 -1.94 -2.48 117.51 116.34 1wt3 h ILE 104 Ca 0.11 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1wt3 h ILE 104 Cb 0.30 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1wt3 h ILE 104 CO 0.00 0.16 0.33 -0.07 0.00 0.00 0.00 178.15 178.58 1wt3 h LEU 105 N 0.20 0.98 -0.89 1.44 3.38 -1.36 -2.02 115.31 117.03 1wt3 h LEU 105 Ca 0.07 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wt3 h LEU 105 Cb 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1wt3 h LEU 105 CO -0.01 0.85 0.58 0.78 0.09 0.00 0.00 178.44 180.73 1wt3 h ASN 106 N 1.03 1.03 -0.14 -0.43 2.35 -0.67 -1.64 115.58 117.12 1wt3 h ASN 106 Ca 0.25 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1wt3 h ASN 106 Cb 0.15 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1wt3 h ASN 106 CO -0.03 0.76 0.09 -0.33 -1.65 0.00 0.00 177.43 176.27 1wt3 h GLU 107 N 1.21 0.19 -0.37 0.81 4.39 -1.07 0.16 114.58 119.90 1wt3 h GLU 107 Ca 0.32 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1wt3 h GLU 107 Cb -0.12 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1wt3 h GLU 107 CO -0.07 0.15 0.17 1.96 -1.16 0.00 0.00 179.01 180.07 1wt3 h GLN 108 N 0.17 0.34 0.00 2.33 4.20 -0.98 -1.58 115.11 119.59 1wt3 h GLN 108 Ca 0.05 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 1wt3 h GLN 108 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1wt3 h GLN 108 CO -0.01 0.23 -0.86 0.74 -0.67 0.00 0.00 178.83 178.26 1wt3 h PHE 109 N 0.35 0.24 -0.44 2.96 -1.00 -1.19 -3.23 116.94 114.64 1wt3 h PHE 109 Ca 0.16 -0.13 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 1wt3 h PHE 109 Cb 0.09 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1wt3 h PHE 109 CO -0.11 0.94 -0.26 0.00 -1.61 0.00 0.00 178.31 177.27 1wt3 h ARG 110 N 0.09 0.93 0.00 1.51 2.47 -0.84 -2.02 114.38 116.52 1wt3 h ARG 110 Ca -0.04 -0.42 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1wt3 h ARG 110 Cb 1.48 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1wt3 h ARG 110 CO 0.13 1.07 0.02 -0.07 0.56 0.00 0.00 179.97 181.69 1wt3 h LEU 111 N 0.79 0.00 -1.49 3.04 3.38 -1.31 0.55 115.31 120.28 1wt3 h LEU 111 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wt3 h LEU 111 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wt3 h LEU 111 CO 0.07 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.40 1wt3 n GLN 112 N -2.81 1.79 -3.86 1.13 6.02 -0.80 -4.91 117.38 113.93 1wt3 n GLN 112 Ca -0.02 -1.48 -0.24 0.00 -0.01 0.00 0.00 57.00 55.25 1wt3 n GLN 112 Cb 0.08 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 1wt3 n GLN 112 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wt3 n ASN 113 N 0.71 -0.74 -4.77 1.08 5.15 0.19 -4.88 115.26 112.00 1wt3 n ASN 113 Ca 0.11 -0.95 -0.40 0.00 -0.60 0.00 0.00 54.58 52.74 1wt3 n ASN 113 Cb 0.52 -3.38 -0.01 0.00 -0.53 0.00 0.00 39.78 36.38 1wt3 n ASN 113 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wt3 s THR 114 N -3.85 2.52 -0.14 -0.44 2.01 -1.01 -4.97 115.64 109.75 1wt3 s THR 114 Ca 0.02 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.54 1wt3 s THR 114 Cb -0.01 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1wt3 s THR 114 CO 0.86 0.11 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.82 1wt3 s THR 115 N -1.17 1.87 -0.17 -0.82 2.01 -1.26 -3.43 115.64 112.67 1wt3 s THR 115 Ca 0.52 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 1wt3 s THR 115 Cb -0.41 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1wt3 s THR 115 CO 0.54 0.51 0.01 -0.63 -0.69 0.00 0.00 174.62 174.36 1wt3 s ILE 116 N 1.07 4.26 -0.12 1.82 1.09 -0.21 -0.73 121.20 128.38 1wt3 s ILE 116 Ca -0.02 -0.22 -0.10 0.00 -1.10 0.00 0.00 60.65 59.21 1wt3 s ILE 116 Cb -0.14 -2.90 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 1wt3 s ILE 116 CO -0.06 0.47 0.21 -0.83 -0.10 0.00 0.00 174.94 174.63 1wt3 s GLY 117 N 0.41 2.20 -0.22 6.18 0.00 0.61 -1.34 107.32 115.15 1wt3 s GLY 117 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1wt3 s GLY 117 CO 0.02 -0.07 -0.15 -2.27 0.00 0.00 0.00 173.10 170.63 1wt3 s LEU 118 N -0.54 2.73 -0.08 0.66 2.96 -0.49 -0.20 118.68 123.72 1wt3 s LEU 118 Ca 0.15 -0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1wt3 s LEU 118 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1wt3 s LEU 118 CO 0.04 -0.08 0.04 0.42 -1.32 0.00 0.00 176.35 175.45 1wt3 s THR 119 N 1.23 4.61 -0.06 3.68 -4.23 0.20 -0.78 115.64 120.28 1wt3 s THR 119 Ca -0.01 -0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.23 1wt3 s THR 119 Cb -0.16 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1wt3 s THR 119 CO -0.09 0.58 0.26 0.68 -0.54 0.00 0.00 174.62 175.51 1wt3 s VAL 120 N -0.95 0.03 -0.16 2.29 -7.23 -0.77 -2.51 120.40 111.10 1wt3 s VAL 120 Ca 0.15 -0.22 -0.03 0.00 -1.81 0.00 0.00 61.98 60.06 1wt3 s VAL 120 Cb -0.12 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1wt3 s VAL 120 CO 0.04 -0.12 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.28 1wt3 s PHE 121 N -0.45 2.95 -0.37 2.82 0.40 -1.26 -1.35 117.98 120.71 1wt3 s PHE 121 Ca -0.06 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1wt3 s PHE 121 Cb -0.04 -1.96 0.12 0.00 0.51 0.00 0.00 43.02 41.66 1wt3 s PHE 121 CO 0.01 -0.18 0.17 0.00 0.70 0.00 0.00 175.22 175.93 1wt3 s ALA 122 N 0.58 1.77 0.11 5.36 0.00 0.29 -4.42 121.76 125.46 1wt3 s ALA 122 Ca -0.04 -2.13 0.08 0.00 0.00 0.00 0.00 51.96 49.88 1wt3 s ALA 122 Cb -0.15 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1wt3 s ALA 122 CO 0.03 -1.90 -0.15 0.42 0.00 0.00 0.00 175.76 174.16 1wt3 s ILE 123 N 0.97 3.03 0.00 0.00 1.01 -1.26 -3.83 121.20 121.11 1wt3 s ILE 123 Ca 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1wt3 s ILE 123 Cb -0.21 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1wt3 s ILE 123 CO -0.10 0.10 0.00 0.29 0.00 0.00 0.00 174.94 175.23 1wt3 n LYS 124 N 0.75 0.00 0.00 2.79 5.02 -1.26 -1.52 118.16 123.94 1wt3 n LYS 124 Ca -0.15 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.19 1wt3 n LYS 124 Cb 0.53 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.77 1wt3 n LYS 124 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wt3 n LYS 125 N 14.00 0.00 0.02 1.97 4.76 -1.26 -3.07 118.16 134.59 1wt3 n LYS 125 Ca 0.00 0.32 0.11 0.00 -2.87 0.00 0.00 58.31 55.87 1wt3 n LYS 125 Cb 0.00 -1.51 0.46 0.00 -1.84 0.00 0.00 35.03 32.14 1wt3 n LYS 125 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1wt3 n TYR 126 N -1.51 0.18 0.31 2.13 4.02 -0.57 -3.08 117.16 118.63 1wt3 n TYR 126 Ca 0.03 0.06 0.20 0.00 -0.01 0.00 0.00 57.90 58.17 1wt3 n TYR 126 Cb 0.13 -0.60 0.94 0.00 -0.02 0.00 0.00 39.34 39.79 1wt3 n TYR 126 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1wt3 h VAL 127 N 0.00 0.00 0.00 -0.72 -1.51 -1.73 -1.82 116.25 110.47 1wt3 h VAL 127 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1wt3 h VAL 127 Cb 0.40 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1wt3 h VAL 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1wt3 h ALA 128 N 2.01 1.00 0.00 5.19 0.00 -1.83 -2.81 119.26 122.83 1wt3 h ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wt3 h ALA 128 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wt3 h ALA 128 CO 0.00 0.00 -0.50 0.74 0.00 0.00 0.00 179.25 179.49 1wt3 h PHE 129 N 0.00 0.00 -0.58 0.00 -1.00 -1.58 -3.39 116.94 110.39 1wt3 h PHE 129 Ca 0.00 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1wt3 h PHE 129 Cb 0.39 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.89 1wt3 h PHE 129 CO 0.00 0.00 0.27 -0.07 -1.61 0.00 0.00 178.31 176.90 1wt3 h LEU 130 N 0.00 0.34 0.38 1.54 3.38 -1.63 -1.87 115.31 117.45 1wt3 h LEU 130 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wt3 h LEU 130 Cb 0.81 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1wt3 h LEU 130 CO 0.00 0.22 -0.39 0.50 0.09 0.00 0.00 178.44 178.86 1wt3 h LYS 131 N 0.49 -0.76 -0.78 1.13 3.64 -1.79 0.72 116.57 119.22 1wt3 h LYS 131 Ca 0.27 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1wt3 h LYS 131 Cb 0.25 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1wt3 h LYS 131 CO -0.23 -0.51 0.36 1.25 -2.27 0.00 0.00 179.45 178.06 1wt3 h LEU 132 N -0.79 1.03 0.47 5.20 5.85 -1.84 -0.59 115.31 124.64 1wt3 h LEU 132 Ca -0.03 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1wt3 h LEU 132 Cb 0.71 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1wt3 h LEU 132 CO -0.07 0.88 -0.32 0.15 -0.34 0.00 0.00 178.44 178.74 1wt3 h PHE 133 N 1.12 -0.85 -0.55 1.25 3.57 -1.00 -1.80 116.94 118.67 1wt3 h PHE 133 Ca 0.27 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 1wt3 h PHE 133 Cb 0.13 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1wt3 h PHE 133 CO 0.01 -0.48 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.47 1wt3 h LEU 134 N -0.77 0.99 -0.57 0.59 3.38 -0.76 -1.65 115.31 116.52 1wt3 h LEU 134 Ca -0.05 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1wt3 h LEU 134 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1wt3 h LEU 134 CO 0.03 1.08 0.29 -0.33 0.09 0.00 0.00 178.44 179.61 1wt3 h GLU 135 N 0.90 0.81 -0.04 1.13 5.08 -1.06 -1.40 114.58 120.00 1wt3 h GLU 135 Ca 0.15 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1wt3 h GLU 135 Cb 0.62 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wt3 h GLU 135 CO 0.04 0.64 -0.65 1.79 -1.00 0.00 0.00 179.01 179.82 1wt3 h THR 136 N 0.77 1.43 -0.45 1.13 1.35 -1.28 -2.89 112.91 112.97 1wt3 h THR 136 Ca 0.20 -2.14 -0.07 0.00 -0.55 0.00 0.00 66.41 63.85 1wt3 h THR 136 Cb 0.08 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1wt3 h THR 136 CO -0.03 0.62 -0.00 0.00 -0.25 0.00 0.00 175.52 175.86 1wt3 h ALA 137 N 1.22 1.16 0.00 6.62 0.00 -1.01 -1.34 119.26 125.91 1wt3 h ALA 137 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1wt3 h ALA 137 Cb 1.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wt3 h ALA 137 CO 0.10 0.54 -0.11 0.93 0.00 0.00 0.00 179.25 180.71 1wt3 h GLU 138 N 0.68 0.00 0.00 0.00 4.39 -1.05 0.21 114.58 118.81 1wt3 h GLU 138 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1wt3 h GLU 138 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wt3 h GLU 138 CO 0.02 0.11 -1.24 1.63 -1.16 0.00 0.00 179.01 178.37 1wt3 n LYS 139 N -4.09 0.62 0.00 2.33 5.02 -0.72 -4.70 118.16 116.62 1wt3 n LYS 139 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1wt3 n LYS 139 Cb 0.20 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1wt3 n LYS 139 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1wt3 n HIS 140 N -2.57 0.00 -3.16 2.13 8.25 -0.59 -4.95 115.22 114.33 1wt3 n HIS 140 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1wt3 n HIS 140 Cb 0.55 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1wt3 n HIS 140 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1wt3 s PHE 141 N -1.02 3.17 -1.11 4.41 5.36 0.70 -1.68 117.98 127.81 1wt3 s PHE 141 Ca 0.00 0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 56.22 1wt3 s PHE 141 Cb 0.00 -3.03 0.06 0.00 -0.34 0.00 0.00 43.02 39.71 1wt3 s PHE 141 CO 0.00 -0.57 0.33 -1.33 -1.46 0.00 0.00 175.22 172.19 1wt3 n MET 142 N 5.90 -2.96 -1.68 10.12 2.81 -0.23 -4.83 117.12 126.25 1wt3 n MET 142 Ca -0.03 0.43 -0.45 0.00 -1.81 0.00 0.00 57.70 55.84 1wt3 n MET 142 Cb 0.49 -5.08 -0.04 0.00 -0.71 0.00 0.00 33.22 27.88 1wt3 n MET 142 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1wt3 n VAL 143 N -3.66 0.38 0.00 2.03 0.31 -1.26 -1.23 118.33 114.90 1wt3 n VAL 143 Ca -0.03 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1wt3 n VAL 143 Cb 0.55 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1wt3 n VAL 143 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wt3 n GLY 144 N 4.13 2.81 3.83 2.92 0.00 -1.26 -5.08 105.19 112.54 1wt3 n GLY 144 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1wt3 n GLY 144 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wt3 s HIS 145 N -2.51 2.81 0.06 1.61 4.02 -0.37 -5.07 115.29 115.85 1wt3 s HIS 145 Ca 0.00 -0.37 -0.31 0.00 1.02 0.00 0.00 55.06 55.40 1wt3 s HIS 145 Cb 0.00 -1.85 -0.06 0.00 -1.02 0.00 0.00 32.58 29.65 1wt3 s HIS 145 CO 0.00 0.15 1.21 1.03 1.02 0.00 0.00 174.74 178.15 1wt3 s ARG 146 N -3.99 4.43 -0.02 1.40 0.52 -1.22 -4.82 118.95 115.25 1wt3 s ARG 146 Ca 0.42 1.78 0.03 0.00 -0.52 0.00 0.00 55.73 57.44 1wt3 s ARG 146 Cb -0.04 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.08 1wt3 s ARG 146 CO 0.26 -0.27 -0.12 0.08 0.02 0.00 0.00 175.30 175.28 1wt3 s VAL 147 N 1.07 0.94 -0.21 3.52 1.01 -1.04 -1.04 120.40 124.65 1wt3 s VAL 147 Ca 0.59 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1wt3 s VAL 147 Cb -0.30 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.33 1wt3 s VAL 147 CO 0.29 0.27 -0.04 -2.28 0.00 0.00 0.00 175.10 173.34 1wt3 s HIS 148 N -0.10 1.99 0.10 5.22 2.46 -0.45 -0.87 115.29 123.63 1wt3 s HIS 148 Ca 0.01 -1.41 -0.24 0.00 0.47 0.00 0.00 55.06 53.89 1wt3 s HIS 148 Cb -0.06 -1.42 -0.07 0.00 -0.13 0.00 0.00 32.58 30.89 1wt3 s HIS 148 CO 0.00 -0.70 0.73 0.71 -2.47 0.00 0.00 174.74 173.01 1wt3 s TYR 149 N 1.53 3.82 -0.25 3.88 1.51 0.14 -1.39 117.35 126.59 1wt3 s TYR 149 Ca -0.03 1.50 0.01 0.00 -1.01 0.00 0.00 57.07 57.55 1wt3 s TYR 149 Cb -0.17 -2.74 0.07 0.00 -0.11 0.00 0.00 41.96 39.00 1wt3 s TYR 149 CO -0.07 0.43 -0.04 0.71 -1.11 0.00 0.00 175.55 175.47 1wt3 s TYR 150 N -0.69 2.55 -0.34 2.71 1.51 0.04 -0.61 117.35 122.52 1wt3 s TYR 150 Ca 0.36 -1.92 -0.10 0.00 -1.01 0.00 0.00 57.07 54.39 1wt3 s TYR 150 Cb -0.21 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1wt3 s TYR 150 CO 0.24 -0.81 0.18 0.08 -1.11 0.00 0.00 175.55 174.13 1wt3 s VAL 151 N 1.34 4.61 -0.25 0.71 1.01 -0.40 -1.85 120.40 125.58 1wt3 s VAL 151 Ca -0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1wt3 s VAL 151 Cb -0.19 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1wt3 s VAL 151 CO -0.08 -0.07 0.37 -0.36 0.00 0.00 0.00 175.10 174.96 1wt3 s PHE 152 N 1.59 3.28 0.09 5.22 0.40 -0.46 -0.64 117.98 127.47 1wt3 s PHE 152 Ca 0.04 0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1wt3 s PHE 152 Cb -0.18 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.82 1wt3 s PHE 152 CO 0.07 -0.15 0.26 -0.08 0.70 0.00 0.00 175.22 176.01 1wt3 s THR 153 N 1.81 0.11 -2.76 0.64 -1.32 -0.66 -0.55 115.64 112.91 1wt3 s THR 153 Ca 0.16 -0.94 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 1wt3 s THR 153 Cb -0.15 -1.22 0.31 0.00 -1.51 0.00 0.00 72.50 69.93 1wt3 s THR 153 CO 0.09 -0.52 1.43 -0.90 -2.21 0.00 0.00 174.62 172.51 1wt3 n ASP 154 N 0.01 2.39 -3.28 8.08 5.75 -1.25 -1.31 116.55 126.94 1wt3 n ASP 154 Ca -0.16 -1.78 -0.25 0.00 -0.01 0.00 0.00 54.79 52.59 1wt3 n ASP 154 Cb 0.62 0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.66 1wt3 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wt3 n GLN 155 N 0.85 1.32 -0.33 0.11 6.02 -1.26 -4.92 117.38 119.16 1wt3 n GLN 155 Ca 0.16 -3.72 0.11 0.00 -0.01 0.00 0.00 57.00 53.54 1wt3 n GLN 155 Cb 0.50 -1.58 0.29 0.00 1.02 0.00 0.00 30.24 30.47 1wt3 n GLN 155 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1wt3 h PRO 156 N 4.11 0.69 0.00 -1.09 0.11 -1.96 -0.31 132.00 133.55 1wt3 h PRO 156 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1wt3 h PRO 156 Cb 0.81 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1wt3 h PRO 156 CO 0.59 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 1wt3 n ALA 157 N -2.37 1.78 1.35 -0.75 0.00 -1.26 -2.49 120.51 116.77 1wt3 n ALA 157 Ca 0.21 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.83 1wt3 n ALA 157 Cb 0.53 -1.38 0.46 0.00 0.00 0.00 0.00 19.45 19.06 1wt3 n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wt3 n ALA 158 N -1.73 2.89 -2.32 0.00 0.00 -0.13 -4.86 120.51 114.37 1wt3 n ALA 158 Ca 0.03 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 1wt3 n ALA 158 Cb 0.26 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1wt3 n ALA 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wt3 s VAL 159 N -2.36 4.04 0.48 0.00 1.01 -1.04 -4.95 120.40 117.58 1wt3 s VAL 159 Ca 0.29 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 1wt3 s VAL 159 Cb 0.20 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1wt3 s VAL 159 CO 0.46 -0.07 1.35 -2.84 0.00 0.00 0.00 175.10 174.00 1wt3 s PRO 160 N 3.07 3.55 -0.71 2.72 0.02 -1.26 -4.94 135.00 137.45 1wt3 s PRO 160 Ca 0.60 2.22 -0.23 0.00 0.02 0.00 0.00 61.00 63.62 1wt3 s PRO 160 Cb -0.26 -2.50 0.07 0.00 0.02 0.00 0.00 34.50 31.83 1wt3 s PRO 160 CO 0.21 -0.86 1.03 0.50 -0.33 0.00 0.00 177.00 177.55 1wt3 s ARG 161 N -2.60 3.19 -0.11 5.54 3.00 -1.26 -4.98 118.95 121.72 1wt3 s ARG 161 Ca 0.64 -0.90 -0.11 0.00 -1.00 0.00 0.00 55.73 54.36 1wt3 s ARG 161 Cb -0.40 -4.34 -0.05 0.00 0.00 0.00 0.00 34.95 30.16 1wt3 s ARG 161 CO 0.49 -1.85 0.24 0.08 0.00 0.00 0.00 175.30 174.26 1wt3 s VAL 162 N 4.08 5.33 -0.04 7.11 1.01 -1.26 -5.06 120.40 131.57 1wt3 s VAL 162 Ca 0.25 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1wt3 s VAL 162 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1wt3 s VAL 162 CO 0.08 0.53 1.23 -0.89 0.00 0.00 0.00 175.10 176.04 1wt3 s THR 163 N -0.47 4.15 0.10 3.92 2.01 -1.26 -5.02 115.64 119.07 1wt3 s THR 163 Ca 0.17 1.50 0.05 0.00 0.31 0.00 0.00 61.69 63.72 1wt3 s THR 163 Cb -0.13 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1wt3 s THR 163 CO 0.05 0.01 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.21 1wt3 s LEU 164 N 2.13 3.37 0.86 4.42 1.43 -1.26 -5.01 118.68 124.62 1wt3 s LEU 164 Ca 0.57 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1wt3 s LEU 164 Cb -0.26 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 43.96 1wt3 s LEU 164 CO 0.23 0.17 1.11 -0.83 0.23 0.00 0.00 176.35 177.26 1wt3 s GLY 165 N -2.33 1.60 0.49 -3.19 0.00 -1.26 -4.96 107.32 97.68 1wt3 s GLY 165 Ca 0.25 -0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.43 1wt3 s GLY 165 CO 0.17 0.19 1.37 -1.08 0.00 0.00 0.00 173.10 173.76 1wt3 s THR 166 N -3.15 2.16 -0.01 0.90 -1.32 -1.26 -2.72 115.64 110.24 1wt3 s THR 166 Ca 0.62 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 1wt3 s THR 166 Cb -0.15 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.77 1wt3 s THR 166 CO 0.55 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1wt3 n GLY 167 N 0.65 0.48 3.22 6.08 0.00 -1.26 -4.97 105.19 109.38 1wt3 n GLY 167 Ca 0.08 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1wt3 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wt3 s ARG 168 N -0.21 1.70 0.09 1.61 0.52 -1.10 -2.49 118.95 119.06 1wt3 s ARG 168 Ca 0.00 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1wt3 s ARG 168 Cb 0.00 -1.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 1wt3 s ARG 168 CO 0.00 0.44 0.01 1.14 0.02 0.00 0.00 175.30 176.90 1wt3 s GLN 169 N -0.46 0.75 -0.02 3.54 -2.07 -0.05 -4.81 119.66 116.54 1wt3 s GLN 169 Ca 0.07 -1.31 0.01 0.00 -1.82 0.00 0.00 55.36 52.31 1wt3 s GLN 169 Cb -0.08 0.22 0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1wt3 s GLN 169 CO -0.01 -0.18 -0.04 -1.17 -1.32 0.00 0.00 175.29 172.58 1wt3 s LEU 170 N -2.98 1.67 -0.05 2.60 0.20 -1.26 0.24 118.68 119.11 1wt3 s LEU 170 Ca 0.14 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 54.94 1wt3 s LEU 170 Cb 0.08 -0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.54 1wt3 s LEU 170 CO -0.05 -0.00 -0.25 -0.44 -0.29 0.00 0.00 176.35 175.32 1wt3 s SER 171 N 0.36 3.11 -0.30 3.68 0.01 0.22 -4.95 113.70 115.84 1wt3 s SER 171 Ca -0.04 -0.49 -0.10 0.00 1.31 0.00 0.00 55.95 56.63 1wt3 s SER 171 Cb -0.07 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 1wt3 s SER 171 CO -0.00 0.26 0.16 -0.69 0.41 0.00 0.00 173.24 173.38 1wt3 s VAL 172 N -0.24 4.89 -0.26 3.43 1.01 -1.26 -1.27 120.40 126.69 1wt3 s VAL 172 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1wt3 s VAL 172 Cb -0.13 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1wt3 s VAL 172 CO 0.03 0.16 -0.01 -0.76 0.00 0.00 0.00 175.10 174.52 1wt3 s LEU 173 N 1.68 3.43 0.26 3.92 2.01 0.19 -4.98 118.68 125.19 1wt3 s LEU 173 Ca 0.06 -0.80 -0.29 0.00 0.01 0.00 0.00 54.13 53.11 1wt3 s LEU 173 Cb -0.16 -1.75 -0.09 0.00 0.01 0.00 0.00 46.19 44.20 1wt3 s LEU 173 CO 0.08 -0.15 0.99 -0.70 1.01 0.00 0.00 176.35 177.58 1wt3 s GLU 174 N 1.39 4.75 -0.08 1.70 2.12 -1.26 -1.65 118.70 125.67 1wt3 s GLU 174 Ca 0.01 1.56 0.01 0.00 0.36 0.00 0.00 54.97 56.91 1wt3 s GLU 174 Cb -0.17 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1wt3 s GLU 174 CO -0.02 0.39 -0.10 0.14 -0.54 0.00 0.00 175.26 175.13 1wt3 s VAL 175 N -1.24 1.09 0.00 3.70 -7.23 -0.43 -4.87 120.40 111.42 1wt3 s VAL 175 Ca 0.43 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1wt3 s VAL 175 Cb -0.27 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.64 1wt3 s VAL 175 CO 0.33 0.36 0.00 0.00 -0.31 0.00 0.00 175.10 175.48 1wt3 h GLU 197 N 0.00 0.44 0.00 0.00 4.57 -2.07 -1.10 114.58 116.42 1wt3 h GLU 197 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1wt3 h GLU 197 Cb 0.00 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1wt3 h GLU 197 CO 0.00 0.29 -0.02 0.07 -1.18 0.00 0.00 179.01 178.17 1wt3 h ARG 198 N 0.45 0.00 -0.60 1.92 -0.00 -2.04 -2.97 114.38 111.15 1wt3 h ARG 198 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.13 1wt3 h ARG 198 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 29.96 1wt3 h ARG 198 CO -0.08 0.02 0.36 -0.09 -0.00 0.00 0.00 179.97 180.18 1wt3 h ARG 199 N 0.00 0.81 -0.17 0.08 2.43 -1.64 -2.56 114.38 113.34 1wt3 h ARG 199 Ca -0.00 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1wt3 h ARG 199 Cb 0.49 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1wt3 h ARG 199 CO 0.00 0.58 -0.02 0.74 -1.51 0.00 0.00 179.97 179.77 1wt3 h PHE 200 N 0.81 -0.04 -0.50 2.20 0.05 -1.46 -1.15 116.94 116.84 1wt3 h PHE 200 Ca 0.21 0.01 0.13 0.00 3.82 0.00 0.00 57.97 62.15 1wt3 h PHE 200 Cb -0.02 0.04 -0.02 0.00 2.00 0.00 0.00 35.95 37.95 1wt3 h PHE 200 CO -0.02 -0.04 0.36 -0.07 -0.18 0.00 0.00 178.31 178.35 1wt3 h LEU 201 N 0.03 0.07 0.00 1.54 3.38 -1.59 -1.55 115.31 117.19 1wt3 h LEU 201 Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1wt3 h LEU 201 Cb 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wt3 h LEU 201 CO -0.15 0.04 -1.04 -1.28 0.09 0.00 0.00 178.44 176.10 1wt3 h SER 202 N 0.08 0.00 0.00 -0.43 0.87 -0.88 -3.40 113.55 109.78 1wt3 h SER 202 Ca 0.24 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 1wt3 h SER 202 Cb 0.84 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1wt3 h SER 202 CO -0.02 0.61 -1.87 -0.62 -0.53 0.00 0.00 176.83 174.41 1wt3 n GLU 203 N -3.07 1.04 -4.17 2.24 1.02 -0.54 -5.05 120.64 112.11 1wt3 n GLU 203 Ca -0.05 -0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 56.91 1wt3 n GLU 203 Cb 0.82 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 1wt3 n GLU 203 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wt3 s VAL 204 N -2.73 0.66 -0.14 2.62 -7.23 -0.65 -4.93 120.40 108.00 1wt3 s VAL 204 Ca -0.07 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1wt3 s VAL 204 Cb 0.07 -1.74 -0.23 0.00 0.56 0.00 0.00 36.38 35.04 1wt3 s VAL 204 CO 0.63 -0.82 0.30 0.47 -0.31 0.00 0.00 175.10 175.36 1wt3 n ASP 205 N -0.06 1.19 -4.25 4.85 10.43 0.09 -4.62 116.55 124.18 1wt3 n ASP 205 Ca -0.11 0.17 -0.16 0.00 2.57 0.00 0.00 54.79 57.26 1wt3 n ASP 205 Cb 0.61 -0.09 -0.10 0.00 1.84 0.00 0.00 41.12 43.38 1wt3 n ASP 205 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1wt3 s TYR 206 N -2.55 1.35 -0.06 1.24 1.51 -1.13 -2.74 117.35 114.97 1wt3 s TYR 206 Ca -0.16 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.28 1wt3 s TYR 206 Cb 0.07 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1wt3 s TYR 206 CO 0.77 0.13 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.72 1wt3 s LEU 207 N -2.86 1.64 -0.19 -1.29 1.43 0.39 -0.29 118.68 117.51 1wt3 s LEU 207 Ca 0.13 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1wt3 s LEU 207 Cb -0.01 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1wt3 s LEU 207 CO 0.02 0.03 -0.15 -0.69 0.23 0.00 0.00 176.35 175.79 1wt3 s VAL 208 N 0.65 2.44 -0.25 -1.59 1.01 0.72 -1.37 120.40 122.00 1wt3 s VAL 208 Ca -0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1wt3 s VAL 208 Cb -0.16 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1wt3 s VAL 208 CO 0.04 0.50 0.01 0.00 0.00 0.00 0.00 175.10 175.64 1wt3 s VAL 210 N 1.49 0.50 0.33 0.00 -7.23 -1.04 -1.63 120.40 112.80 1wt3 s VAL 210 Ca 0.04 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 1wt3 s VAL 210 Cb -0.15 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 1wt3 s VAL 210 CO -0.01 -0.22 0.74 -1.81 -0.31 0.00 0.00 175.10 173.50 1wt3 s ASP 211 N -3.22 6.77 0.31 4.85 1.01 -0.92 -4.44 116.67 121.03 1wt3 s ASP 211 Ca 0.32 1.28 0.19 0.00 0.71 0.00 0.00 52.55 55.05 1wt3 s ASP 211 Cb 0.07 -2.37 0.14 0.00 1.01 0.00 0.00 42.92 41.77 1wt3 s ASP 211 CO 0.09 -0.21 1.39 1.62 0.21 0.00 0.00 175.17 178.27 1wt3 h VAL 212 N 1.93 0.37 -0.25 -1.27 3.04 -1.94 -3.37 116.25 114.75 1wt3 h VAL 212 Ca -0.48 -1.55 -0.53 0.00 -1.01 0.00 0.00 66.70 63.13 1wt3 h VAL 212 Cb 1.17 2.09 -0.04 0.00 -2.01 0.00 0.00 31.29 32.51 1wt3 h VAL 212 CO 0.65 0.21 2.18 -0.90 -1.01 0.00 0.00 177.57 178.70 1wt3 n ASP 213 N -3.07 7.50 -3.64 3.17 5.75 -1.26 -4.66 116.55 120.34 1wt3 n ASP 213 Ca 0.01 -2.68 -0.14 0.00 -0.01 0.00 0.00 54.79 51.97 1wt3 n ASP 213 Cb 0.64 -1.47 -0.07 0.00 -1.03 0.00 0.00 41.12 39.20 1wt3 n ASP 213 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1wt3 s MET 214 N 1.04 1.63 -0.05 0.11 -1.94 -1.26 -3.10 119.30 115.73 1wt3 s MET 214 Ca 0.66 -1.70 -0.14 0.00 -1.71 0.00 0.00 55.69 52.80 1wt3 s MET 214 Cb 0.24 0.38 0.03 0.00 2.01 0.00 0.00 34.83 37.48 1wt3 s MET 214 CO -0.06 -0.63 0.33 -1.83 -0.01 0.00 0.00 175.02 172.82 1wt3 s GLU 215 N -3.59 0.59 0.01 2.03 -1.05 -0.24 -4.19 118.70 112.26 1wt3 s GLU 215 Ca 0.34 0.04 -0.23 0.00 -0.15 0.00 0.00 54.97 54.97 1wt3 s GLU 215 Cb 0.02 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1wt3 s GLU 215 CO 0.18 -0.14 0.68 -0.06 0.95 0.00 0.00 175.26 176.87 1wt3 s PHE 216 N -0.82 3.69 0.00 4.83 0.40 -1.26 -1.48 117.98 123.33 1wt3 s PHE 216 Ca -0.09 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1wt3 s PHE 216 Cb -0.04 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.76 1wt3 s PHE 216 CO 0.03 0.28 0.00 0.54 0.70 0.00 0.00 175.22 176.77 1wt3 n ARG 217 N 2.92 6.25 -3.89 0.44 1.74 0.17 -4.82 116.66 119.46 1wt3 n ARG 217 Ca -0.04 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.93 1wt3 n ARG 217 Cb 0.51 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 1wt3 n ARG 217 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wt3 s ASP 218 N -1.09 0.28 0.09 0.55 -1.08 -1.08 -4.90 116.67 109.44 1wt3 s ASP 218 Ca 0.00 -1.24 -0.36 0.00 -0.52 0.00 0.00 52.55 50.43 1wt3 s ASP 218 Cb 0.00 0.79 -0.15 0.00 -1.46 0.00 0.00 42.92 42.10 1wt3 s ASP 218 CO 0.00 -1.57 1.47 1.57 0.52 0.00 0.00 175.17 177.16 1wt3 n HIS 219 N -0.54 1.85 -3.58 -5.34 -0.00 -1.26 -4.77 115.22 101.58 1wt3 n HIS 219 Ca -0.05 0.47 -0.29 0.00 -0.00 0.00 0.00 57.72 57.84 1wt3 n HIS 219 Cb 0.60 -2.43 -0.15 0.00 -0.00 0.00 0.00 29.99 28.02 1wt3 n HIS 219 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1wt3 s VAL 220 N 0.95 0.21 0.00 3.57 1.01 -0.68 -4.84 120.40 120.61 1wt3 s VAL 220 Ca 0.83 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1wt3 s VAL 220 Cb -0.85 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1wt3 s VAL 220 CO 0.45 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1wt3 n GLY 221 N 5.01 6.15 0.05 4.51 0.00 -1.26 -1.06 105.19 118.58 1wt3 n GLY 221 Ca -0.03 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.29 1wt3 n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wt3 n VAL 222 N 0.00 1.56 0.29 1.61 0.24 -1.26 -2.36 118.33 118.41 1wt3 n VAL 222 Ca 0.00 0.52 0.19 0.00 -2.04 0.00 0.00 64.34 63.00 1wt3 n VAL 222 Cb 0.00 -1.48 0.95 0.00 -1.47 0.00 0.00 33.84 31.83 1wt3 n VAL 222 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1wt3 h GLU 223 N 0.00 0.00 0.00 7.34 9.09 -1.95 -2.02 114.58 127.04 1wt3 h GLU 223 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1wt3 h GLU 223 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1wt3 h GLU 223 CO 0.00 0.00 -0.82 -0.84 0.05 0.00 0.00 179.01 177.40 1wt3 h ILE 224 N 0.00 0.00 -3.29 -1.06 3.07 -1.89 -3.48 117.51 110.86 1wt3 h ILE 224 Ca 0.00 -0.91 -0.53 0.00 1.55 0.00 0.00 64.86 64.98 1wt3 h ILE 224 Cb 0.10 1.48 0.04 0.00 -0.27 0.00 0.00 36.82 38.17 1wt3 h ILE 224 CO 0.00 0.00 0.73 -0.76 -1.05 0.00 0.00 178.15 177.07 1wt3 s LEU 225 N -5.26 4.39 -0.03 0.16 1.43 -0.76 -4.88 118.68 113.73 1wt3 s LEU 225 Ca 0.02 2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 55.35 1wt3 s LEU 225 Cb 0.10 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.83 1wt3 s LEU 225 CO 0.76 -0.65 1.27 0.28 0.23 0.00 0.00 176.35 178.24 1wt3 s THR 226 N 0.25 0.00 0.25 5.49 -1.32 -1.26 -5.04 115.64 114.01 1wt3 s THR 226 Ca 0.60 -0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.84 1wt3 s THR 226 Cb -0.40 -1.86 0.22 0.00 -1.51 0.00 0.00 72.50 68.95 1wt3 s THR 226 CO 0.39 0.00 1.77 -0.65 -2.21 0.00 0.00 174.62 173.93 1wt3 h PRO 227 N 2.00 0.62 -2.62 7.08 0.11 -1.93 -3.12 132.00 134.15 1wt3 h PRO 227 Ca -0.27 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 1wt3 h PRO 227 Cb 1.20 -0.14 -0.27 0.00 0.11 0.00 0.00 31.00 31.90 1wt3 h PRO 227 CO 0.28 0.41 -0.32 -1.17 -0.21 0.00 0.00 178.00 176.98 1wt3 s LEU 228 N -10.34 -0.24 0.02 2.35 2.96 -1.26 -0.29 118.68 111.87 1wt3 s LEU 228 Ca -0.12 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1wt3 s LEU 228 Cb 0.20 1.33 -0.01 0.00 0.50 0.00 0.00 46.19 48.20 1wt3 s LEU 228 CO 0.77 -0.20 -0.04 0.72 -1.32 0.00 0.00 176.35 176.28 1wt3 s PHE 229 N 1.74 0.38 0.32 5.38 -0.12 -0.15 0.42 117.98 125.95 1wt3 s PHE 229 Ca -0.07 -0.32 0.09 0.00 -0.05 0.00 0.00 56.93 56.58 1wt3 s PHE 229 Cb -0.09 -0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 41.99 1wt3 s PHE 229 CO -0.13 -0.08 -0.10 0.20 -0.05 0.00 0.00 175.22 175.06 1wt3 s GLY 230 N -0.91 2.06 -0.06 1.99 0.00 -1.17 -2.45 107.32 106.79 1wt3 s GLY 230 Ca -0.07 -2.02 0.05 0.00 0.00 0.00 0.00 44.72 42.68 1wt3 s GLY 230 CO -0.00 -1.98 -0.22 -1.59 0.00 0.00 0.00 173.10 169.31 1wt3 s THR 231 N -2.69 1.82 0.02 0.90 2.01 -1.23 -0.95 115.64 115.51 1wt3 s THR 231 Ca 0.31 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1wt3 s THR 231 Cb 0.02 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.90 1wt3 s THR 231 CO 0.15 0.51 1.67 -0.76 -0.69 0.00 0.00 174.62 175.50 1wt3 s LEU 232 N 0.02 4.35 0.20 4.42 1.43 -0.13 -0.33 118.68 128.64 1wt3 s LEU 232 Ca -0.07 2.39 -0.31 0.00 -1.03 0.00 0.00 54.13 55.11 1wt3 s LEU 232 Cb -0.14 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.43 1wt3 s LEU 232 CO 0.04 -0.91 1.59 -2.28 0.23 0.00 0.00 176.35 175.02 1wt3 s HIS 233 N 3.34 2.98 0.57 0.29 5.65 -0.17 -4.16 115.29 123.79 1wt3 s HIS 233 Ca 0.75 0.63 0.27 0.00 0.25 0.00 0.00 55.06 56.96 1wt3 s HIS 233 Cb -0.37 -3.98 1.64 0.00 -1.18 0.00 0.00 32.58 28.69 1wt3 s HIS 233 CO 0.32 -3.55 2.16 -1.00 -0.65 0.00 0.00 174.74 172.01 1wt3 h PRO 234 N 6.33 0.00 -0.01 2.88 0.13 -1.90 -2.44 132.00 136.98 1wt3 h PRO 234 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wt3 h PRO 234 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wt3 h PRO 234 CO 0.89 0.00 -0.26 0.41 -0.23 0.00 0.00 178.00 178.81 1wt3 n GLY 235 N -1.41 -0.64 0.00 1.56 0.00 -1.26 -4.37 105.19 99.07 1wt3 n GLY 235 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1wt3 n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wt3 n PHE 236 N -0.69 0.00 0.18 1.61 3.01 -0.98 -4.85 117.46 115.75 1wt3 n PHE 236 Ca 0.12 -0.09 0.12 0.00 1.01 0.00 0.00 57.45 58.61 1wt3 n PHE 236 Cb 0.35 -0.01 0.66 0.00 -0.01 0.00 0.00 39.48 40.46 1wt3 n PHE 236 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1wt3 h TYR 237 N 0.00 0.00 -0.63 1.38 -0.00 -1.65 -0.62 116.97 115.44 1wt3 h TYR 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1wt3 h TYR 237 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.64 1wt3 h TYR 237 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1wt3 n GLY 238 N -1.57 2.35 3.87 0.10 0.00 -1.26 -4.99 105.19 103.69 1wt3 n GLY 238 Ca 0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1wt3 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wt3 s SER 239 N -1.10 6.50 0.46 1.61 0.01 -0.24 -5.07 113.70 115.87 1wt3 s SER 239 Ca 0.45 1.24 -0.16 0.00 1.31 0.00 0.00 55.95 58.79 1wt3 s SER 239 Cb 0.24 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 64.01 1wt3 s SER 239 CO 0.32 -0.50 0.91 -0.55 0.41 0.00 0.00 173.24 173.83 1wt3 s SER 240 N -3.30 6.66 0.36 2.44 0.15 -1.26 -4.97 113.70 113.77 1wt3 s SER 240 Ca 0.53 1.47 0.07 0.00 0.70 0.00 0.00 55.95 58.72 1wt3 s SER 240 Cb -0.10 -2.46 0.76 0.00 -1.71 0.00 0.00 66.02 62.50 1wt3 s SER 240 CO 0.34 -0.48 1.93 0.08 1.20 0.00 0.00 173.24 176.31 1wt3 h ARG 241 N 1.24 0.73 0.00 5.44 0.11 -1.91 -1.59 114.38 118.39 1wt3 h ARG 241 Ca -0.47 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 1wt3 h ARG 241 Cb 1.18 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 1wt3 h ARG 241 CO 0.62 0.48 -0.04 0.93 0.10 0.00 0.00 179.97 182.06 1wt3 h GLU 242 N 0.75 0.00 0.00 0.08 3.07 -1.91 -1.56 114.58 115.01 1wt3 h GLU 242 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1wt3 h GLU 242 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1wt3 h GLU 242 CO -0.13 0.04 -0.47 0.00 -1.40 0.00 0.00 179.01 177.04 1wt3 h ALA 243 N 1.96 0.68 -2.65 3.43 0.00 -1.67 -3.47 119.26 117.55 1wt3 h ALA 243 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1wt3 h ALA 243 Cb 0.09 0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.98 1wt3 h ALA 243 CO 0.00 0.00 0.65 1.19 0.00 0.00 0.00 179.25 181.09 1wt3 n PHE 244 N -2.17 2.54 -1.16 0.00 0.99 -0.59 -4.86 117.46 112.21 1wt3 n PHE 244 Ca 0.04 0.47 -0.17 0.00 -0.00 0.00 0.00 57.45 57.78 1wt3 n PHE 244 Cb 0.44 -2.48 -0.10 0.00 -1.00 0.00 0.00 39.48 36.34 1wt3 n PHE 244 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1wt3 n THR 245 N 0.82 3.05 -1.22 4.37 -2.24 -1.26 -4.93 114.28 112.87 1wt3 n THR 245 Ca 0.05 -2.04 -0.30 0.00 -2.27 0.00 0.00 64.05 59.49 1wt3 n THR 245 Cb 0.36 -1.77 0.13 0.00 -2.10 0.00 0.00 70.33 66.96 1wt3 n THR 245 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1wt3 s TYR 246 N -0.32 2.36 -0.08 4.78 4.12 -1.26 -4.79 117.35 122.15 1wt3 s TYR 246 Ca 0.57 1.28 -0.30 0.00 0.02 0.00 0.00 57.07 58.65 1wt3 s TYR 246 Cb 0.32 -3.15 -0.03 0.00 -1.52 0.00 0.00 41.96 37.58 1wt3 s TYR 246 CO -0.09 -2.32 1.31 -2.00 0.02 0.00 0.00 175.55 172.47 1wt3 s GLU 247 N -4.94 4.28 0.00 -0.62 2.56 -1.26 -4.90 118.70 113.82 1wt3 s GLU 247 Ca 0.63 1.78 0.20 0.00 0.00 0.00 0.00 54.97 57.58 1wt3 s GLU 247 Cb -0.18 -3.68 0.39 0.00 2.00 0.00 0.00 34.13 32.67 1wt3 s GLU 247 CO 0.57 -0.61 1.33 0.54 -0.56 0.00 0.00 175.26 176.53 1wt3 n ARG 248 N 5.93 2.37 -3.39 4.30 5.12 -1.26 -1.60 116.66 128.13 1wt3 n ARG 248 Ca 0.13 -2.18 -0.38 0.00 -1.93 0.00 0.00 57.85 53.49 1wt3 n ARG 248 Cb 0.45 -1.46 -0.08 0.00 -1.16 0.00 0.00 32.46 30.21 1wt3 n ARG 248 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wt3 s ARG 249 N -1.33 4.12 0.66 5.56 0.52 -1.26 -4.90 118.95 122.31 1wt3 s ARG 249 Ca 0.35 0.14 0.40 0.00 -0.52 0.00 0.00 55.73 56.10 1wt3 s ARG 249 Cb 0.20 -3.57 2.19 0.00 0.52 0.00 0.00 34.95 34.29 1wt3 s ARG 249 CO 0.28 -0.11 2.26 -1.35 0.02 0.00 0.00 175.30 176.40 1wt3 h PRO 250 N 7.62 0.00 0.00 3.54 0.11 -1.97 -1.91 132.00 139.38 1wt3 h PRO 250 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1wt3 h PRO 250 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wt3 h PRO 250 CO 0.70 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.53 1wt3 n GLN 251 N -3.15 0.19 -3.80 1.05 3.00 -1.26 -4.77 117.38 108.65 1wt3 n GLN 251 Ca -0.03 0.32 -0.35 0.00 -0.01 0.00 0.00 57.00 56.94 1wt3 n GLN 251 Cb 0.15 -1.80 -0.05 0.00 0.00 0.00 0.00 30.24 28.53 1wt3 n GLN 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1wt3 s SER 252 N -4.18 6.47 0.36 1.08 0.15 -0.72 -4.95 113.70 111.91 1wt3 s SER 252 Ca 0.07 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.51 1wt3 s SER 252 Cb 0.11 -2.08 1.18 0.00 -1.71 0.00 0.00 66.02 63.52 1wt3 s SER 252 CO 0.46 0.28 1.81 1.56 1.20 0.00 0.00 173.24 178.55 1wt3 h GLN 253 N 4.15 0.00 -0.13 5.44 1.08 -1.86 -1.85 115.11 121.94 1wt3 h GLN 253 Ca -0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1wt3 h GLN 253 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1wt3 h GLN 253 CO 0.65 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.53 1wt3 n ALA 254 N -1.87 2.53 -1.69 3.87 0.00 -1.26 -4.97 120.51 117.12 1wt3 n ALA 254 Ca 0.01 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.49 1wt3 n ALA 254 Cb 0.22 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1wt3 n ALA 254 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wt3 n TYR 255 N 0.34 2.37 -3.66 0.00 9.36 -0.70 -4.22 117.16 120.65 1wt3 n TYR 255 Ca 0.17 0.33 -0.21 0.00 3.32 0.00 0.00 57.90 61.52 1wt3 n TYR 255 Cb 0.35 -2.52 -0.18 0.00 -0.63 0.00 0.00 39.34 36.36 1wt3 n TYR 255 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1wt3 s ILE 256 N 0.24 -0.12 0.85 2.97 1.01 -0.62 -5.00 121.20 120.53 1wt3 s ILE 256 Ca 0.70 0.33 -0.11 0.00 0.00 0.00 0.00 60.65 61.57 1wt3 s ILE 256 Cb -0.61 -0.23 0.10 0.00 0.01 0.00 0.00 42.46 41.73 1wt3 s ILE 256 CO 0.46 0.11 1.09 -2.16 0.00 0.00 0.00 174.94 174.44 1wt3 s PRO 257 N 2.17 1.65 0.55 2.79 0.04 -1.26 -4.63 135.00 136.31 1wt3 s PRO 257 Ca 0.04 1.02 0.24 0.00 0.04 0.00 0.00 61.00 62.35 1wt3 s PRO 257 Cb -0.13 -1.84 1.45 0.00 0.04 0.00 0.00 34.50 34.02 1wt3 s PRO 257 CO -0.04 -2.02 2.05 0.87 0.04 0.00 0.00 177.00 177.90 1wt3 h LYS 258 N -1.40 0.00 -0.57 4.56 1.79 -1.96 -1.85 116.57 117.13 1wt3 h LYS 258 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1wt3 h LYS 258 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1wt3 h LYS 258 CO 0.52 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.49 1wt3 n ASP 259 N -4.23 3.20 -4.42 0.86 5.75 -1.26 -4.26 116.55 112.18 1wt3 n ASP 259 Ca 0.05 -2.16 -0.23 0.00 -0.01 0.00 0.00 54.79 52.43 1wt3 n ASP 259 Cb 0.42 -0.42 -0.11 0.00 -1.03 0.00 0.00 41.12 39.99 1wt3 n ASP 259 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1wt3 s GLU 260 N -1.53 1.53 0.00 0.11 2.02 -0.70 -5.10 118.70 115.03 1wt3 s GLU 260 Ca 0.36 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1wt3 s GLU 260 Cb 0.21 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1wt3 s GLU 260 CO 0.21 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1wt3 n GLY 261 N -0.26 3.67 0.10 -1.39 0.00 -1.26 -4.81 105.19 101.22 1wt3 n GLY 261 Ca -0.08 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1wt3 n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wt3 n ASP 262 N 0.00 1.94 -4.09 1.61 8.00 -1.26 -4.92 116.55 117.83 1wt3 n ASP 262 Ca 0.00 0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.73 1wt3 n ASP 262 Cb 0.00 -0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 40.25 1wt3 n ASP 262 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wt3 s PHE 263 N -2.82 1.09 -0.37 1.24 0.40 -1.26 -4.96 117.98 111.31 1wt3 s PHE 263 Ca -0.30 -1.31 -0.08 0.00 -0.60 0.00 0.00 56.93 54.65 1wt3 s PHE 263 Cb 0.06 -0.46 0.05 0.00 0.51 0.00 0.00 43.02 43.18 1wt3 s PHE 263 CO 0.43 -0.72 0.17 -0.47 0.70 0.00 0.00 175.22 175.34 1wt3 s TYR 264 N -4.06 3.29 0.20 0.36 5.04 -1.26 -5.05 117.35 115.87 1wt3 s TYR 264 Ca 0.37 -1.42 -0.17 0.00 -2.44 0.00 0.00 57.07 53.41 1wt3 s TYR 264 Cb 0.05 -2.55 -0.08 0.00 0.35 0.00 0.00 41.96 39.73 1wt3 s TYR 264 CO 0.13 -0.76 0.65 0.71 -1.34 0.00 0.00 175.55 174.94 1wt3 s TYR 265 N 1.42 3.60 0.11 4.97 1.51 -1.26 -1.00 117.35 126.71 1wt3 s TYR 265 Ca 0.01 1.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.99 1wt3 s TYR 265 Cb -0.21 -2.50 -0.06 0.00 -0.11 0.00 0.00 41.96 39.08 1wt3 s TYR 265 CO 0.03 0.35 0.96 -0.51 -1.11 0.00 0.00 175.55 175.28 1wt3 s LEU 266 N -2.07 4.50 0.10 -1.29 1.02 0.55 -4.70 118.68 116.79 1wt3 s LEU 266 Ca 0.42 1.80 0.25 0.00 0.02 0.00 0.00 54.13 56.62 1wt3 s LEU 266 Cb -0.15 -3.59 0.96 0.00 0.02 0.00 0.00 46.19 43.43 1wt3 s LEU 266 CO 0.20 -0.06 1.77 0.61 0.02 0.00 0.00 176.35 178.89 1wt3 n GLY 267 N 2.23 -1.45 0.36 -3.19 0.00 -1.26 -3.46 105.19 98.42 1wt3 n GLY 267 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1wt3 n GLY 267 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wt3 n ARG 268 N -1.85 1.48 -3.17 1.61 1.85 -1.26 -4.70 116.66 110.63 1wt3 n ARG 268 Ca 0.05 -0.72 0.03 0.00 -1.00 0.00 0.00 57.85 56.21 1wt3 n ARG 268 Cb 0.32 -1.38 -0.01 0.00 -1.05 0.00 0.00 32.46 30.35 1wt3 n ARG 268 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1wt3 s PHE 269 N -1.88 -1.72 0.26 2.89 5.99 -1.22 -2.16 117.98 120.13 1wt3 s PHE 269 Ca 0.32 1.18 -0.12 0.00 0.00 0.00 0.00 56.93 58.31 1wt3 s PHE 269 Cb 0.17 0.34 -0.00 0.00 0.00 0.00 0.00 43.02 43.52 1wt3 s PHE 269 CO 0.26 -1.02 0.49 -0.59 -0.00 0.00 0.00 175.22 174.36 1wt3 s PHE 270 N 2.81 0.40 -2.68 10.12 -0.12 -0.65 -3.55 117.98 124.30 1wt3 s PHE 270 Ca 0.13 -0.76 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1wt3 s PHE 270 Cb -0.11 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1wt3 s PHE 270 CO -0.25 -1.02 0.00 0.41 -0.05 0.00 0.00 175.22 174.31 1wt3 n GLY 271 N -0.40 -0.55 0.00 1.99 0.00 -1.02 -0.05 105.19 105.15 1wt3 n GLY 271 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1wt3 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wt3 n GLY 272 N 0.00 0.37 3.76 -0.02 0.00 -0.47 -0.98 105.19 107.85 1wt3 n GLY 272 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1wt3 n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wt3 s SER 273 N -4.00 4.76 0.18 1.61 1.04 0.60 -0.47 113.70 117.42 1wt3 s SER 273 Ca 0.00 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.28 1wt3 s SER 273 Cb 0.00 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.74 1wt3 s SER 273 CO 0.00 -1.87 1.75 0.58 0.98 0.00 0.00 173.24 174.68 1wt3 h VAL 274 N -0.44 0.83 -0.18 5.02 2.07 -1.83 -0.64 116.25 121.08 1wt3 h VAL 274 Ca -0.46 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1wt3 h VAL 274 Cb 1.25 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1wt3 h VAL 274 CO 0.52 0.06 -0.09 -0.61 0.02 0.00 0.00 177.57 177.48 1wt3 h GLN 275 N 0.35 -0.07 -0.29 1.57 4.15 -1.91 -0.25 115.11 118.66 1wt3 h GLN 275 Ca 0.24 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.58 1wt3 h GLN 275 Cb 0.25 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1wt3 h GLN 275 CO -0.24 -0.04 -0.18 0.93 -1.93 0.00 0.00 178.83 177.36 1wt3 h GLU 276 N -0.07 0.53 -0.35 1.69 4.39 -1.71 -1.79 114.58 117.26 1wt3 h GLU 276 Ca 0.10 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 1wt3 h GLU 276 Cb 0.22 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1wt3 h GLU 276 CO -0.23 0.68 -0.34 0.28 -1.16 0.00 0.00 179.01 178.25 1wt3 h VAL 277 N 0.48 1.28 -0.36 3.13 2.07 -0.76 -1.97 116.25 120.12 1wt3 h VAL 277 Ca 0.08 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1wt3 h VAL 277 Cb 0.58 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1wt3 h VAL 277 CO 0.04 0.50 -0.09 1.56 0.02 0.00 0.00 177.57 179.59 1wt3 h GLN 278 N 0.64 0.61 -0.71 1.57 4.20 -0.86 -0.83 115.11 119.73 1wt3 h GLN 278 Ca 0.06 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1wt3 h GLN 278 Cb 0.92 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1wt3 h GLN 278 CO 0.08 0.70 0.21 0.00 -0.67 0.00 0.00 178.83 179.15 1wt3 h ARG 279 N 0.56 1.11 0.03 1.46 3.08 -1.17 0.56 114.38 120.01 1wt3 h ARG 279 Ca 0.10 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1wt3 h ARG 279 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1wt3 h ARG 279 CO 0.03 0.95 -0.01 1.25 -1.07 0.00 0.00 179.97 181.12 1wt3 h LEU 280 N 1.06 -0.03 -1.06 3.04 6.46 -0.83 -0.89 115.31 123.06 1wt3 h LEU 280 Ca 0.23 -0.38 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1wt3 h LEU 280 Cb 0.32 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1wt3 h LEU 280 CO -0.01 0.37 0.10 0.71 -0.62 0.00 0.00 178.44 178.99 1wt3 h THR 281 N -0.44 1.22 -0.31 1.05 1.35 -1.10 -0.27 112.91 114.41 1wt3 h THR 281 Ca -0.00 -0.82 -0.04 0.00 -0.55 0.00 0.00 66.41 65.00 1wt3 h THR 281 Cb 0.41 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1wt3 h THR 281 CO 0.01 0.30 0.05 -0.09 -0.25 0.00 0.00 175.52 175.54 1wt3 h ARG 282 N 0.74 0.51 -0.39 4.72 2.43 -0.85 0.46 114.38 122.00 1wt3 h ARG 282 Ca 0.16 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1wt3 h ARG 282 Cb 0.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1wt3 h ARG 282 CO 0.00 0.61 0.16 0.00 -1.51 0.00 0.00 179.97 179.23 1wt3 h ALA 283 N 0.88 0.50 -0.32 2.80 0.00 -0.79 -2.14 119.26 120.20 1wt3 h ALA 283 Ca 0.09 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1wt3 h ALA 283 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wt3 h ALA 283 CO 0.01 0.10 -0.16 0.00 0.00 0.00 0.00 179.25 179.19 1wt3 h HIS 285 N 0.52 0.66 -0.47 0.00 6.17 -0.70 -0.90 115.15 120.44 1wt3 h HIS 285 Ca 0.09 -0.07 -0.12 0.00 0.71 0.00 0.00 60.37 60.98 1wt3 h HIS 285 Cb 0.57 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 1wt3 h HIS 285 CO 0.02 0.63 -0.17 1.96 0.71 0.00 0.00 177.93 181.08 1wt3 h GLN 286 N 0.51 0.93 -0.62 5.26 4.20 -1.19 -1.80 115.11 122.41 1wt3 h GLN 286 Ca 0.13 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1wt3 h GLN 286 Cb 0.29 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1wt3 h GLN 286 CO -0.00 1.03 0.06 0.00 -0.67 0.00 0.00 178.83 179.25 1wt3 h ALA 287 N 0.98 0.94 -0.20 3.87 0.00 -1.05 -1.88 119.26 121.92 1wt3 h ALA 287 Ca 0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1wt3 h ALA 287 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wt3 h ALA 287 CO 0.06 0.65 -0.40 0.52 0.00 0.00 0.00 179.25 180.08 1wt3 h MET 288 N 0.96 0.45 -0.73 0.00 2.86 -1.02 -1.89 114.93 115.56 1wt3 h MET 288 Ca 0.19 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1wt3 h MET 288 Cb 0.47 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1wt3 h MET 288 CO 0.02 0.78 0.22 0.52 1.06 0.00 0.00 176.91 179.51 1wt3 h MET 289 N 0.37 1.14 -0.24 1.72 2.07 -1.00 -0.90 114.93 118.10 1wt3 h MET 289 Ca 0.03 -0.25 -0.02 0.00 -2.07 0.00 0.00 59.70 57.39 1wt3 h MET 289 Cb 0.87 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.42 1wt3 h MET 289 CO 0.07 0.98 0.06 0.28 1.07 0.00 0.00 176.91 179.37 1wt3 h VAL 290 N 1.09 1.21 -0.67 -2.22 2.07 -1.09 -2.05 116.25 114.58 1wt3 h VAL 290 Ca 0.24 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1wt3 h VAL 290 Cb 0.31 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1wt3 h VAL 290 CO -0.01 0.22 0.43 0.44 0.02 0.00 0.00 177.57 178.67 1wt3 h ASP 291 N 0.21 0.77 0.36 0.57 5.19 -1.13 -1.81 116.42 120.59 1wt3 h ASP 291 Ca 0.08 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1wt3 h ASP 291 Cb 0.27 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1wt3 h ASP 291 CO 0.00 0.57 -0.17 1.56 -3.12 0.00 0.00 179.24 178.08 1wt3 h GLN 292 N 0.91 -0.47 -0.71 3.56 4.20 -0.85 0.41 115.11 122.15 1wt3 h GLN 292 Ca 0.24 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.10 1wt3 h GLN 292 Cb -0.09 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1wt3 h GLN 292 CO -0.05 -0.25 0.47 0.00 -0.67 0.00 0.00 178.83 178.33 1wt3 h ALA 293 N 0.01 1.97 -0.17 3.87 0.00 -1.11 0.46 119.26 124.28 1wt3 h ALA 293 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wt3 h ALA 293 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wt3 h ALA 293 CO 0.08 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.29 1wt3 n ASN 294 N -4.49 1.01 -3.30 0.00 5.03 -0.70 -4.91 115.26 107.90 1wt3 n ASN 294 Ca 0.12 -1.90 -0.23 0.00 0.87 0.00 0.00 54.58 53.45 1wt3 n ASN 294 Cb 0.41 -0.11 0.06 0.00 -1.02 0.00 0.00 39.78 39.12 1wt3 n ASN 294 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wt3 n GLY 295 N 0.85 -0.49 3.07 7.41 0.00 0.16 -5.01 105.19 111.18 1wt3 n GLY 295 Ca 0.09 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 1wt3 n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wt3 s ILE 296 N -3.26 0.68 -0.11 -0.61 2.07 0.14 -5.01 121.20 115.10 1wt3 s ILE 296 Ca 0.48 -0.94 -0.01 0.00 -1.41 0.00 0.00 60.65 58.77 1wt3 s ILE 296 Cb -0.21 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.72 1wt3 s ILE 296 CO 0.59 -0.21 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.69 1wt3 s GLU 297 N -1.26 0.96 0.29 3.50 2.56 -1.26 -3.62 118.70 119.88 1wt3 s GLU 297 Ca -0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 54.97 54.53 1wt3 s GLU 297 Cb -0.08 -1.39 -0.14 0.00 2.00 0.00 0.00 34.13 34.52 1wt3 s GLU 297 CO 0.01 -0.34 0.90 0.00 -0.56 0.00 0.00 175.26 175.26 1wt3 n ALA 298 N 5.05 -0.70 -0.34 6.30 0.00 -1.26 -4.86 120.51 124.70 1wt3 n ALA 298 Ca -0.09 0.37 0.19 0.00 0.00 0.00 0.00 53.44 53.91 1wt3 n ALA 298 Cb 0.49 -1.94 0.42 0.00 0.00 0.00 0.00 19.45 18.43 1wt3 n ALA 298 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1wt3 h VAL 299 N 1.72 0.56 -0.22 0.00 3.04 -1.94 -1.64 116.25 117.77 1wt3 h VAL 299 Ca -0.38 -0.18 -0.18 0.00 -1.01 0.00 0.00 66.70 64.95 1wt3 h VAL 299 Cb 1.36 -0.03 -0.19 0.00 -2.01 0.00 0.00 31.29 30.43 1wt3 h VAL 299 CO 0.59 0.10 -0.69 0.79 -1.01 0.00 0.00 177.57 177.35 1wt3 n TRP 300 N -4.77 0.78 0.00 3.17 7.02 -1.26 -5.06 117.44 117.32 1wt3 n TRP 300 Ca 0.26 -1.59 0.00 0.00 -1.02 0.00 0.00 57.50 55.15 1wt3 n TRP 300 Cb 0.77 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1wt3 n TRP 300 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1wt3 n HIS 301 N -0.77 0.00 -0.28 -5.99 8.25 -0.62 -1.91 115.22 113.90 1wt3 n HIS 301 Ca 0.23 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.76 1wt3 n HIS 301 Cb 0.83 0.00 0.21 0.00 1.12 0.00 0.00 29.99 32.15 1wt3 n HIS 301 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1wt3 h ASP 302 N 0.00 0.42 -0.26 0.41 3.32 -1.98 -0.61 116.42 117.72 1wt3 h ASP 302 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1wt3 h ASP 302 Cb 0.00 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1wt3 h ASP 302 CO 0.00 0.16 0.14 -0.08 -1.72 0.00 0.00 179.24 177.75 1wt3 h GLU 303 N 0.54 0.39 -0.47 3.56 4.81 -1.75 0.19 114.58 121.85 1wt3 h GLU 303 Ca 0.45 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.51 1wt3 h GLU 303 Cb 0.67 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1wt3 h GLU 303 CO -0.39 0.30 -0.22 0.77 -0.73 0.00 0.00 179.01 178.74 1wt3 h SER 304 N 0.40 1.00 0.31 1.04 0.02 -1.04 -2.23 113.55 113.04 1wt3 h SER 304 Ca 0.10 -0.38 -0.20 0.00 -0.84 0.00 0.00 61.79 60.48 1wt3 h SER 304 Cb 0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1wt3 h SER 304 CO -0.02 1.17 -0.80 0.45 -1.14 0.00 0.00 176.83 176.49 1wt3 h HIS 305 N 0.84 0.54 -0.52 3.45 3.86 -1.15 -2.75 115.15 119.43 1wt3 h HIS 305 Ca 0.11 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1wt3 h HIS 305 Cb 0.80 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 1wt3 h HIS 305 CO 0.05 1.04 0.29 1.25 0.86 0.00 0.00 177.93 181.43 1wt3 h LEU 306 N 0.25 0.46 -1.02 2.43 7.12 -0.87 -0.10 115.31 123.57 1wt3 h LEU 306 Ca -0.05 0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.91 1wt3 h LEU 306 Cb 1.40 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.43 1wt3 h LEU 306 CO 0.14 0.32 -0.00 0.78 -0.13 0.00 0.00 178.44 179.55 1wt3 h ASN 307 N 0.58 0.67 -0.36 1.25 2.35 -1.34 -0.64 115.58 118.08 1wt3 h ASN 307 Ca 0.21 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1wt3 h ASN 307 Cb 0.06 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1wt3 h ASN 307 CO -0.11 0.74 -0.15 0.50 -1.65 0.00 0.00 177.43 176.76 1wt3 h LYS 308 N 0.66 0.74 -0.24 0.81 1.63 -1.11 -1.58 116.57 117.48 1wt3 h LYS 308 Ca 0.13 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1wt3 h LYS 308 Cb 0.41 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1wt3 h LYS 308 CO 0.02 0.92 0.10 -0.92 -3.45 0.00 0.00 179.45 176.12 1wt3 h TYR 309 N 0.53 0.36 0.00 1.91 3.20 -0.69 -2.45 116.97 119.84 1wt3 h TYR 309 Ca 0.08 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1wt3 h TYR 309 Cb 0.68 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1wt3 h TYR 309 CO 0.06 0.37 0.00 -0.07 -1.64 0.00 0.00 178.16 176.88 1wt3 h LEU 310 N 0.25 0.00 -0.10 2.82 3.38 -1.10 0.15 115.31 120.71 1wt3 h LEU 310 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1wt3 h LEU 310 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wt3 h LEU 310 CO -0.01 0.00 -0.64 0.25 0.09 0.00 0.00 178.44 178.14 1wt3 h LEU 311 N 0.00 0.74 0.00 1.67 5.85 -0.89 -3.29 115.31 119.39 1wt3 h LEU 311 Ca 0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1wt3 h LEU 311 Cb 0.50 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1wt3 h LEU 311 CO 0.00 1.28 -0.58 0.03 -0.34 0.00 0.00 178.44 178.82 1wt3 h ARG 312 N 0.25 0.00 -3.05 1.25 2.47 -1.02 -3.40 114.38 110.87 1wt3 h ARG 312 Ca -0.05 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.07 1wt3 h ARG 312 Cb 1.28 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.21 1wt3 h ARG 312 CO 0.13 0.00 -0.76 -1.01 0.56 0.00 0.00 179.97 178.89 1wt3 s HIS 313 N -3.21 1.67 0.22 3.04 3.76 0.49 -5.10 115.29 116.16 1wt3 s HIS 313 Ca 0.05 -2.10 -0.32 0.00 -0.15 0.00 0.00 55.06 52.54 1wt3 s HIS 313 Cb 0.11 -1.66 -0.13 0.00 1.11 0.00 0.00 32.58 32.02 1wt3 s HIS 313 CO 0.72 -0.82 1.60 1.63 -0.85 0.00 0.00 174.74 177.03 1wt3 n LYS 314 N 3.97 2.48 -2.22 1.40 4.76 -1.24 -4.30 118.16 123.01 1wt3 n LYS 314 Ca 0.06 0.89 -0.36 0.00 -2.87 0.00 0.00 58.31 56.03 1wt3 n LYS 314 Cb 0.37 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 30.89 1wt3 n LYS 314 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wt3 s PRO 315 N 0.40 3.46 0.00 1.97 0.04 -1.26 -4.92 135.00 134.69 1wt3 s PRO 315 Ca 0.72 1.71 0.29 0.00 0.04 0.00 0.00 61.00 63.76 1wt3 s PRO 315 Cb -0.57 -2.15 1.32 0.00 0.04 0.00 0.00 34.50 33.14 1wt3 s PRO 315 CO 0.41 -0.78 1.94 0.25 0.04 0.00 0.00 177.00 178.85 1wt3 n THR 316 N -1.02 0.00 -3.63 1.26 -2.24 0.17 -4.77 114.28 104.04 1wt3 n THR 316 Ca 0.10 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1wt3 n THR 316 Cb 0.50 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.32 1wt3 n THR 316 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wt3 s LYS 317 N -2.64 0.82 -0.10 -0.78 1.02 -1.14 -4.09 119.74 112.83 1wt3 s LYS 317 Ca 0.25 0.77 0.04 0.00 0.02 0.00 0.00 55.97 57.05 1wt3 s LYS 317 Cb 0.20 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.90 1wt3 s LYS 317 CO 0.49 -0.14 -0.23 0.08 -0.92 0.00 0.00 175.35 174.64 1wt3 s VAL 318 N 0.03 1.95 0.02 3.17 1.01 -0.28 -3.05 120.40 123.25 1wt3 s VAL 318 Ca -0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 1wt3 s VAL 318 Cb -0.04 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1wt3 s VAL 318 CO 0.03 0.54 0.48 -0.76 0.00 0.00 0.00 175.10 175.38 1wt3 s LEU 319 N 0.39 4.48 0.96 3.92 1.43 -0.12 -0.73 118.68 129.02 1wt3 s LEU 319 Ca -0.18 1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 1wt3 s LEU 319 Cb -0.18 -2.72 0.17 0.00 0.03 0.00 0.00 46.19 43.50 1wt3 s LEU 319 CO 0.08 0.28 1.16 -0.94 0.23 0.00 0.00 176.35 177.16 1wt3 s SER 320 N -0.97 3.04 0.00 2.29 1.04 -1.04 -0.96 113.70 117.10 1wt3 s SER 320 Ca 0.26 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.55 1wt3 s SER 320 Cb -0.18 -1.27 0.19 0.00 0.10 0.00 0.00 66.02 64.86 1wt3 s SER 320 CO 0.15 -2.83 1.06 -2.65 0.98 0.00 0.00 173.24 169.96 1wt3 n PRO 321 N -3.93 0.02 0.25 4.02 -0.02 -1.26 -1.89 135.00 132.20 1wt3 n PRO 321 Ca 0.09 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 1wt3 n PRO 321 Cb 0.59 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.19 1wt3 n PRO 321 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wt3 h GLU 322 N 0.00 0.01 -0.01 -0.52 5.08 -1.90 -2.10 114.58 115.14 1wt3 h GLU 322 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wt3 h GLU 322 Cb 0.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wt3 h GLU 322 CO 0.00 0.03 -0.06 0.66 -1.00 0.00 0.00 179.01 178.64 1wt3 n TYR 323 N -4.51 0.00 -3.15 4.33 4.02 -0.79 -0.72 117.16 116.34 1wt3 n TYR 323 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1wt3 n TYR 323 Cb 0.11 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1wt3 n TYR 323 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1wt3 s LEU 324 N -2.17 -1.48 0.32 7.72 0.20 -0.79 -4.37 118.68 118.11 1wt3 s LEU 324 Ca 0.36 0.09 0.04 0.00 0.69 0.00 0.00 54.13 55.31 1wt3 s LEU 324 Cb 0.21 1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 47.86 1wt3 s LEU 324 CO 0.40 -0.26 0.19 0.86 -0.29 0.00 0.00 176.35 177.25 1wt3 s TRP 325 N 2.75 1.64 -0.32 5.38 -0.11 -0.30 -4.02 118.94 123.96 1wt3 s TRP 325 Ca 0.13 -1.46 0.03 0.00 1.22 0.00 0.00 56.10 56.01 1wt3 s TRP 325 Cb -0.08 -0.82 0.16 0.00 -1.50 0.00 0.00 33.47 31.22 1wt3 s TRP 325 CO -0.24 -0.62 0.42 0.34 -4.62 0.00 0.00 176.95 172.23 1wt3 s ASP 326 N -3.39 0.45 0.31 5.86 -1.08 -1.26 -1.11 116.67 116.45 1wt3 s ASP 326 Ca 0.36 -0.72 0.04 0.00 -0.52 0.00 0.00 52.55 51.70 1wt3 s ASP 326 Cb 0.04 1.03 0.51 0.00 -1.46 0.00 0.00 42.92 43.04 1wt3 s ASP 326 CO 0.20 -0.32 1.80 -0.61 0.52 0.00 0.00 175.17 176.76 1wt3 h GLN 327 N 7.80 0.49 -0.54 4.34 4.15 -1.87 0.97 115.11 130.44 1wt3 h GLN 327 Ca -0.04 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.21 1wt3 h GLN 327 Cb 1.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1wt3 h GLN 327 CO 0.24 0.62 0.25 0.37 -1.93 0.00 0.00 178.83 178.37 1wt3 h GLN 328 N 0.45 0.79 0.04 1.69 4.15 -1.93 0.28 115.11 120.58 1wt3 h GLN 328 Ca 0.08 -0.12 -0.26 0.00 0.77 0.00 0.00 58.65 59.11 1wt3 h GLN 328 Cb 0.51 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1wt3 h GLN 328 CO 0.03 0.66 -1.38 1.25 -1.93 0.00 0.00 178.83 177.46 1wt3 h LEU 329 N 0.73 0.12 -0.61 -2.39 5.85 -1.96 -3.40 115.31 113.64 1wt3 h LEU 329 Ca 0.18 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wt3 h LEU 329 Cb 0.14 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1wt3 h LEU 329 CO -0.02 1.14 -0.02 0.18 -0.34 0.00 0.00 178.44 179.37 1wt3 n LEU 330 N -3.29 0.67 0.00 2.25 4.77 0.32 -5.10 117.00 116.62 1wt3 n LEU 330 Ca -0.10 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1wt3 n LEU 330 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1wt3 n LEU 330 CO 0.47 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1wt3 n GLY 331 N 0.47 0.20 2.43 -0.72 0.00 0.99 -4.54 105.19 104.02 1wt3 n GLY 331 Ca 0.01 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1wt3 n GLY 331 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wt3 s TRP 332 N 0.00 1.03 0.81 1.61 -0.11 -1.26 -4.36 118.94 116.66 1wt3 s TRP 332 Ca 0.00 -2.12 -0.13 0.00 1.22 0.00 0.00 56.10 55.07 1wt3 s TRP 332 Cb 0.00 -0.96 0.09 0.00 -1.50 0.00 0.00 33.47 31.09 1wt3 s TRP 332 CO 0.00 -0.82 1.18 -2.14 -4.62 0.00 0.00 176.95 170.55 1wt3 s PRO 333 N 0.36 1.65 0.43 5.86 0.02 -1.26 -4.92 135.00 137.13 1wt3 s PRO 333 Ca 0.28 1.65 0.12 0.00 0.02 0.00 0.00 61.00 63.07 1wt3 s PRO 333 Cb -0.05 -1.79 0.93 0.00 0.02 0.00 0.00 34.50 33.61 1wt3 s PRO 333 CO -0.13 -2.19 1.98 0.00 -0.33 0.00 0.00 177.00 176.34 1wt3 h ALA 334 N -1.03 1.65 0.00 -1.55 0.00 -2.00 -2.20 119.26 114.12 1wt3 h ALA 334 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1wt3 h ALA 334 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wt3 h ALA 334 CO 0.46 0.26 0.00 -0.24 0.00 0.00 0.00 179.25 179.73 1wt3 h VAL 335 N 0.12 0.00 -3.39 0.00 3.04 -1.99 -3.37 116.25 110.66 1wt3 h VAL 335 Ca 0.03 -0.13 -0.72 0.00 -1.01 0.00 0.00 66.70 64.86 1wt3 h VAL 335 Cb 0.29 0.89 -0.27 0.00 -2.01 0.00 0.00 31.29 30.19 1wt3 h VAL 335 CO 0.02 0.00 -0.42 -0.76 -1.01 0.00 0.00 177.57 175.39 1wt3 s LEU 336 N -5.22 5.37 0.47 3.16 1.43 -0.83 -4.92 118.68 118.14 1wt3 s LEU 336 Ca -0.01 -1.58 0.27 0.00 -1.03 0.00 0.00 54.13 51.78 1wt3 s LEU 336 Cb 0.09 -2.03 0.78 0.00 0.03 0.00 0.00 46.19 45.06 1wt3 s LEU 336 CO 0.35 -0.60 1.77 0.03 0.23 0.00 0.00 176.35 178.13 1wt3 h ARG 337 N 8.48 0.00 -3.24 1.70 3.08 -1.83 -3.45 114.38 119.11 1wt3 h ARG 337 Ca -0.23 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 1wt3 h ARG 337 Cb 1.09 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.93 1wt3 h ARG 337 CO 0.81 0.00 -0.37 0.15 -1.07 0.00 0.00 179.97 179.48 1wt3 s LYS 338 N -3.39 0.57 -0.29 0.04 1.02 -1.26 -5.11 119.74 111.32 1wt3 s LYS 338 Ca 0.05 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 55.80 1wt3 s LYS 338 Cb 0.07 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.69 1wt3 s LYS 338 CO 0.61 -0.15 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.35 1wt3 s LEU 339 N -1.27 3.85 -0.22 3.17 1.43 -1.26 -4.60 118.68 119.77 1wt3 s LEU 339 Ca -0.13 -1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 51.42 1wt3 s LEU 339 Cb -0.06 -1.64 -0.18 0.00 0.03 0.00 0.00 46.19 44.34 1wt3 s LEU 339 CO 0.03 -0.26 -0.04 0.54 0.23 0.00 0.00 176.35 176.85 1wt3 n ARG 340 N 4.51 0.64 -3.86 1.70 1.74 0.10 -3.64 116.66 117.85 1wt3 n ARG 340 Ca -0.11 0.30 -0.27 0.00 -0.77 0.00 0.00 57.85 57.00 1wt3 n ARG 340 Cb 0.43 -1.60 -0.17 0.00 -1.02 0.00 0.00 32.46 30.09 1wt3 n ARG 340 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1wt3 s PHE 341 N -2.49 1.38 0.11 -1.55 5.36 -1.17 0.41 117.98 120.03 1wt3 s PHE 341 Ca -0.32 -0.78 0.02 0.00 -0.96 0.00 0.00 56.93 54.89 1wt3 s PHE 341 Cb 0.10 -1.17 -0.04 0.00 -0.34 0.00 0.00 43.02 41.57 1wt3 s PHE 341 CO 0.60 -0.53 -0.07 -0.08 -1.46 0.00 0.00 175.22 173.69 1wt3 s THR 342 N 1.74 0.73 0.50 0.12 -1.32 -0.55 -1.15 115.64 115.71 1wt3 s THR 342 Ca 0.03 -1.95 -0.22 0.00 -1.21 0.00 0.00 61.69 58.34 1wt3 s THR 342 Cb -0.14 -1.72 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 1wt3 s THR 342 CO -0.07 -0.85 1.22 0.00 -2.21 0.00 0.00 174.62 172.71 1wt3 s ALA 343 N -3.60 2.88 -0.22 11.08 0.00 -0.26 -1.07 121.76 130.55 1wt3 s ALA 343 Ca 0.13 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 1wt3 s ALA 343 Cb 0.05 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1wt3 s ALA 343 CO -0.04 -0.91 0.59 0.14 0.00 0.00 0.00 175.76 175.54 1wt3 s VAL 344 N -1.49 5.03 -2.00 0.00 -7.23 -1.18 -4.80 120.40 108.73 1wt3 s VAL 344 Ca 0.68 1.08 0.06 0.00 -1.81 0.00 0.00 61.98 61.99 1wt3 s VAL 344 Cb -0.32 -3.91 0.17 0.00 0.56 0.00 0.00 36.38 32.89 1wt3 s VAL 344 CO 0.38 0.10 0.82 -0.81 -0.31 0.00 0.00 175.10 175.28