#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s50 s ASN 3 N 0.00 7.13 0.61 -3.46 0.01 -1.26 -5.00 114.94 112.98 1s50 s ASN 3 Ca 0.00 1.40 -0.18 0.00 -0.71 0.00 0.00 52.86 53.37 1s50 s ASN 3 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1s50 s ASN 3 CO 0.00 -0.61 1.20 0.00 -1.51 0.00 0.00 177.10 176.18 1s50 s ARG 4 N 2.89 2.86 0.43 -0.60 1.70 -1.26 -4.93 118.95 120.04 1s50 s ARG 4 Ca 0.45 1.78 -0.22 0.00 -0.47 0.00 0.00 55.73 57.26 1s50 s ARG 4 Cb -0.16 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.21 1s50 s ARG 4 CO 0.09 -1.28 1.03 -1.12 -1.08 0.00 0.00 175.30 172.94 1s50 s SER 5 N -1.73 6.65 0.27 -2.89 0.01 -1.26 -4.76 113.70 109.99 1s50 s SER 5 Ca 0.76 1.95 -0.24 0.00 1.31 0.00 0.00 55.95 59.73 1s50 s SER 5 Cb -0.29 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.28 1s50 s SER 5 CO 0.35 -0.56 0.87 -0.76 0.41 0.00 0.00 173.24 173.54 1s50 s LEU 6 N -2.98 4.39 -0.22 2.44 1.43 0.11 -4.82 118.68 119.02 1s50 s LEU 6 Ca 0.61 1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1s50 s LEU 6 Cb -0.18 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1s50 s LEU 6 CO 0.23 0.00 0.55 -0.63 0.23 0.00 0.00 176.35 176.73 1s50 s ILE 7 N -1.51 5.07 -0.23 -0.59 -1.09 -1.26 -0.94 121.20 120.64 1s50 s ILE 7 Ca 0.46 1.00 -0.03 0.00 -2.23 0.00 0.00 60.65 59.85 1s50 s ILE 7 Cb -0.19 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1s50 s ILE 7 CO 0.24 0.13 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.34 1s50 s VAL 8 N 1.90 3.19 0.14 2.92 1.01 -0.04 -0.24 120.40 129.28 1s50 s VAL 8 Ca 0.25 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1s50 s VAL 8 Cb -0.16 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 1s50 s VAL 8 CO 0.10 0.35 0.49 0.28 0.00 0.00 0.00 175.10 176.32 1s50 s THR 9 N 1.43 4.96 0.15 3.92 -1.32 -0.01 -0.78 115.64 124.00 1s50 s THR 9 Ca 0.04 0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 61.08 1s50 s THR 9 Cb -0.15 -3.68 0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1s50 s THR 9 CO -0.04 0.20 0.29 1.07 -2.21 0.00 0.00 174.62 173.93 1s50 n THR 10 N 0.65 0.00 -3.83 5.08 5.66 -1.05 -2.07 114.28 118.71 1s50 n THR 10 Ca -0.05 -0.46 -0.12 0.00 -3.05 0.00 0.00 64.05 60.37 1s50 n THR 10 Cb 0.52 0.40 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 1s50 n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1s50 s ILE 11 N -2.63 0.06 -0.03 1.09 2.07 -1.26 -0.69 121.20 119.81 1s50 s ILE 11 Ca 0.07 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.49 1s50 s ILE 11 Cb -0.02 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 42.06 1s50 s ILE 11 CO 0.05 -0.29 1.61 -0.76 -1.91 0.00 0.00 174.94 173.65 1s50 s LEU 12 N -1.13 4.32 -0.30 8.50 1.43 -1.26 -4.54 118.68 125.71 1s50 s LEU 12 Ca -0.12 2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 1s50 s LEU 12 Cb -0.06 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.81 1s50 s LEU 12 CO 0.02 -0.89 0.78 -0.70 0.23 0.00 0.00 176.35 175.79 1s50 s GLU 13 N 3.56 0.41 0.30 1.70 2.56 0.38 -4.98 118.70 122.64 1s50 s GLU 13 Ca 0.72 0.63 -0.29 0.00 0.00 0.00 0.00 54.97 56.03 1s50 s GLU 13 Cb -0.34 0.34 -0.10 0.00 2.00 0.00 0.00 34.13 36.03 1s50 s GLU 13 CO 0.29 -0.55 1.19 -2.00 -0.56 0.00 0.00 175.26 173.64 1s50 s GLU 14 N 2.89 4.51 -0.29 4.30 2.12 -1.25 -0.38 118.70 130.61 1s50 s GLU 14 Ca 0.13 1.98 0.12 0.00 0.36 0.00 0.00 54.97 57.56 1s50 s GLU 14 Cb -0.11 -3.13 0.74 0.00 0.26 0.00 0.00 34.13 31.89 1s50 s GLU 14 CO -0.19 0.03 1.75 -0.35 -0.54 0.00 0.00 175.26 175.96 1s50 n PRO 15 N 1.01 3.91 -0.00 4.30 -0.04 -1.26 -4.90 135.00 138.01 1s50 n PRO 15 Ca -0.01 -3.10 -0.17 0.00 -0.04 0.00 0.00 63.50 60.18 1s50 n PRO 15 Cb 0.43 -2.19 -0.13 0.00 -0.04 0.00 0.00 33.50 31.58 1s50 n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s50 h TYR 16 N 2.89 0.37 -2.88 0.54 -1.99 -1.05 -1.06 116.97 113.78 1s50 h TYR 16 Ca 0.17 -0.24 -0.18 0.00 2.00 0.00 0.00 58.73 60.48 1s50 h TYR 16 Cb 2.14 -0.03 -0.30 0.00 2.00 0.00 0.00 36.73 40.54 1s50 h TYR 16 CO 1.16 1.11 -0.47 0.08 -0.00 0.00 0.00 178.16 180.05 1s50 s VAL 17 N -2.74 -0.21 0.18 -2.88 1.01 0.14 -0.94 120.40 114.96 1s50 s VAL 17 Ca -0.15 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1s50 s VAL 17 Cb 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1s50 s VAL 17 CO 0.78 0.08 0.43 -1.48 0.00 0.00 0.00 175.10 174.90 1s50 s LEU 18 N 1.77 0.43 -0.17 3.92 2.34 -0.42 -0.47 118.68 126.08 1s50 s LEU 18 Ca -0.05 -0.60 -0.29 0.00 0.06 0.00 0.00 54.13 53.24 1s50 s LEU 18 Cb -0.11 1.78 -0.01 0.00 -0.56 0.00 0.00 46.19 47.29 1s50 s LEU 18 CO -0.09 -0.98 1.16 -0.36 -1.06 0.00 0.00 176.35 175.01 1s50 s PHE 19 N -3.90 3.11 0.18 3.48 2.99 -1.26 -1.90 117.98 120.69 1s50 s PHE 19 Ca 0.11 1.24 -0.30 0.00 0.00 0.00 0.00 56.93 57.98 1s50 s PHE 19 Cb 0.01 -3.39 -0.09 0.00 0.00 0.00 0.00 43.02 39.55 1s50 s PHE 19 CO -0.03 -1.11 1.37 0.21 -0.00 0.00 0.00 175.22 175.66 1s50 s LYS 20 N 3.12 4.34 0.22 0.44 2.20 -0.10 -4.92 119.74 125.04 1s50 s LYS 20 Ca 0.51 2.11 -0.26 0.00 -0.36 0.00 0.00 55.97 57.97 1s50 s LYS 20 Cb -0.19 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1s50 s LYS 20 CO 0.13 -0.35 0.85 0.15 -0.36 0.00 0.00 175.35 175.76 1s50 s LYS 21 N 0.28 4.63 0.13 4.03 1.02 -1.26 -4.97 119.74 123.60 1s50 s LYS 21 Ca 0.60 1.26 -0.23 0.00 0.02 0.00 0.00 55.97 57.62 1s50 s LYS 21 Cb -0.38 -3.16 0.07 0.00 -0.52 0.00 0.00 37.83 33.84 1s50 s LYS 21 CO 0.36 0.49 0.59 -1.54 -0.92 0.00 0.00 175.35 174.34 1s50 s SER 22 N -1.28 -0.55 0.32 2.83 1.04 -1.26 -5.04 113.70 109.76 1s50 s SER 22 Ca 0.40 0.07 0.17 0.00 0.48 0.00 0.00 55.95 57.07 1s50 s SER 22 Cb -0.23 0.58 0.14 0.00 0.10 0.00 0.00 66.02 66.61 1s50 s SER 22 CO 0.27 -0.91 1.48 -2.24 0.98 0.00 0.00 173.24 172.82 1s50 h ASP 23 N 2.17 0.00 -3.26 7.02 -0.00 -2.07 -3.45 116.42 116.83 1s50 h ASP 23 Ca -0.33 0.00 -0.65 0.00 -0.00 0.00 0.00 57.03 56.05 1s50 h ASP 23 Cb 1.28 0.00 -0.16 0.00 -0.00 0.00 0.00 39.33 40.45 1s50 h ASP 23 CO 0.39 0.36 -0.76 -0.54 -0.00 0.00 0.00 179.24 178.69 1s50 s LYS 24 N -3.03 1.92 0.54 4.15 1.02 -1.26 -5.11 119.74 117.98 1s50 s LYS 24 Ca 0.05 -1.26 -0.21 0.00 0.02 0.00 0.00 55.97 54.56 1s50 s LYS 24 Cb 0.07 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1s50 s LYS 24 CO 0.73 0.45 1.27 -2.30 -0.92 0.00 0.00 175.35 174.57 1s50 n PRO 25 N 0.32 1.54 -4.83 -1.68 -0.02 -1.26 -5.03 135.00 124.05 1s50 n PRO 25 Ca -0.12 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 1s50 n PRO 25 Cb 0.54 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 1s50 n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s50 s LEU 26 N -2.97 2.48 0.15 2.45 1.43 -1.26 -5.11 118.68 115.84 1s50 s LEU 26 Ca 0.72 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1s50 s LEU 26 Cb -0.43 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1s50 s LEU 26 CO 0.49 0.28 -0.16 -0.31 0.23 0.00 0.00 176.35 176.89 1s50 s TYR 27 N -0.83 1.59 0.00 0.29 1.51 -1.26 -4.66 117.35 113.99 1s50 s TYR 27 Ca 0.13 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1s50 s TYR 27 Cb -0.10 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1s50 s TYR 27 CO 0.03 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.11 1s50 n GLY 28 N 0.36 2.60 0.32 0.71 0.00 -1.26 -2.03 105.19 105.88 1s50 n GLY 28 Ca -0.14 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.71 1s50 n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s50 h ASN 29 N 6.81 0.00 0.13 1.61 2.35 -1.94 -2.02 115.58 122.53 1s50 h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s50 h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1s50 h ASN 29 CO 0.00 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.22 1s50 h ASP 30 N 0.00 0.00 0.47 5.81 3.32 -1.79 -2.50 116.42 121.72 1s50 h ASP 30 Ca 0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1s50 h ASP 30 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1s50 h ASP 30 CO -0.00 0.00 -0.10 0.03 -1.72 0.00 0.00 179.24 177.45 1s50 h ARG 31 N 0.00 0.00 -6.26 3.56 3.08 -1.47 -3.45 114.38 109.84 1s50 h ARG 31 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1s50 h ARG 31 Cb 0.06 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.02 1s50 h ARG 31 CO 0.00 0.10 -0.62 -0.06 -1.07 0.00 0.00 179.97 178.32 1s50 s PHE 32 N -4.07 3.08 0.16 3.04 0.40 -0.94 -0.92 117.98 118.72 1s50 s PHE 32 Ca -0.02 -0.00 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 1s50 s PHE 32 Cb 0.12 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 42.11 1s50 s PHE 32 CO 0.57 0.51 0.33 -1.83 0.70 0.00 0.00 175.22 175.49 1s50 s GLU 33 N -2.58 1.16 0.00 0.44 -1.05 -0.80 -4.80 118.70 111.08 1s50 s GLU 33 Ca 0.28 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1s50 s GLU 33 Cb -0.11 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1s50 s GLU 33 CO 0.21 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.39 1s50 n GLY 34 N -0.22 2.79 0.21 -3.83 0.00 -1.26 -1.30 105.19 101.58 1s50 n GLY 34 Ca -0.09 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 1s50 n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1s50 h TYR 35 N 0.00 0.28 0.00 1.61 3.20 -0.76 0.12 116.97 121.42 1s50 h TYR 35 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1s50 h TYR 35 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1s50 h TYR 35 CO 0.00 0.06 -0.28 0.00 -1.64 0.00 0.00 178.16 176.30 1s50 h ILE 37 N 0.00 1.31 -0.65 0.00 1.08 -1.32 0.10 117.51 118.04 1s50 h ILE 37 Ca -0.00 -1.92 -0.08 0.00 -0.39 0.00 0.00 64.86 62.47 1s50 h ILE 37 Cb 0.75 2.09 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 1s50 h ILE 37 CO 0.04 0.60 0.11 0.44 -0.69 0.00 0.00 178.15 178.64 1s50 h ASP 38 N 0.36 1.01 -0.29 1.72 3.32 -0.75 -0.90 116.42 120.88 1s50 h ASP 38 Ca -0.05 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1s50 h ASP 38 Cb 1.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1s50 h ASP 38 CO 0.14 1.00 0.13 0.25 -1.72 0.00 0.00 179.24 179.05 1s50 h LEU 39 N 0.99 0.38 -0.44 1.55 5.85 -0.93 -1.73 115.31 120.98 1s50 h LEU 39 Ca 0.20 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1s50 h LEU 39 Cb 0.42 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1s50 h LEU 39 CO 0.01 0.40 0.23 0.25 -0.34 0.00 0.00 178.44 179.00 1s50 h LEU 40 N 0.33 0.35 -0.61 2.25 5.85 -0.73 -0.36 115.31 122.39 1s50 h LEU 40 Ca 0.10 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1s50 h LEU 40 Cb 0.13 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1s50 h LEU 40 CO -0.01 0.25 0.29 0.03 -0.34 0.00 0.00 178.44 178.66 1s50 h ARG 41 N 0.47 0.52 -0.52 1.25 3.08 -0.91 -0.50 114.38 117.77 1s50 h ARG 41 Ca 0.19 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1s50 h ARG 41 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1s50 h ARG 41 CO -0.12 0.34 0.09 0.93 -1.07 0.00 0.00 179.97 180.15 1s50 h GLU 42 N 0.54 0.85 -0.67 0.04 4.39 -0.75 -2.48 114.58 116.49 1s50 h GLU 42 Ca 0.29 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1s50 h GLU 42 Cb 0.26 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1s50 h GLU 42 CO -0.23 0.83 0.36 -0.07 -1.16 0.00 0.00 179.01 178.75 1s50 h LEU 43 N 0.74 0.85 -1.00 1.33 3.38 -0.42 -0.65 115.31 119.53 1s50 h LEU 43 Ca 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1s50 h LEU 43 Cb 0.39 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1s50 h LEU 43 CO 0.01 0.70 0.38 0.77 0.09 0.00 0.00 178.44 180.39 1s50 h SER 44 N 0.92 0.98 0.34 -0.43 4.64 -0.97 0.05 113.55 119.08 1s50 h SER 44 Ca 0.24 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 61.20 1s50 h SER 44 Cb 0.05 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1s50 h SER 44 CO -0.04 0.82 -1.05 0.71 -0.87 0.00 0.00 176.83 176.40 1s50 h THR 45 N 1.08 1.39 -0.28 2.95 1.35 -1.15 0.32 112.91 118.57 1s50 h THR 45 Ca 0.27 -2.55 -0.09 0.00 -0.55 0.00 0.00 66.41 63.49 1s50 h THR 45 Cb 0.09 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1s50 h THR 45 CO -0.04 0.76 -0.17 0.40 -0.25 0.00 0.00 175.52 176.23 1s50 h ILE 46 N 0.22 1.30 0.00 6.82 2.04 -0.89 -3.25 117.51 123.75 1s50 h ILE 46 Ca -0.11 -1.28 -0.14 0.00 1.00 0.00 0.00 64.86 64.32 1s50 h ILE 46 Cb 1.71 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1s50 h ILE 46 CO 0.19 0.41 -1.18 -0.07 0.00 0.00 0.00 178.15 177.49 1s50 h LEU 47 N 0.34 0.00 -2.84 1.44 4.07 -1.08 -3.49 115.31 113.74 1s50 h LEU 47 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1s50 h LEU 47 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1s50 h LEU 47 CO 0.05 0.53 0.00 0.61 -1.08 0.00 0.00 178.44 178.55 1s50 n GLY 48 N 1.34 -0.03 3.18 0.83 0.00 0.96 -5.07 105.19 106.41 1s50 n GLY 48 Ca -0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1s50 n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s50 s PHE 49 N -2.95 0.13 0.29 1.61 -0.12 -0.31 -5.03 117.98 111.60 1s50 s PHE 49 Ca 0.00 -0.46 0.07 0.00 -0.05 0.00 0.00 56.93 56.49 1s50 s PHE 49 Cb 0.00 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1s50 s PHE 49 CO 0.00 -0.46 0.28 0.95 -0.05 0.00 0.00 175.22 175.94 1s50 s THR 50 N -3.14 4.12 0.21 -4.49 -4.23 -1.26 -4.66 115.64 102.19 1s50 s THR 50 Ca -0.01 -1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1s50 s THR 50 Cb 0.02 -3.36 -0.00 0.00 1.34 0.00 0.00 72.50 70.50 1s50 s THR 50 CO -0.07 -0.26 0.41 -0.72 -0.54 0.00 0.00 174.62 173.45 1s50 s TYR 51 N -2.19 0.31 -0.08 3.99 -0.85 -1.26 -0.72 117.35 116.55 1s50 s TYR 51 Ca 0.38 -0.66 -0.01 0.00 -0.52 0.00 0.00 57.07 56.25 1s50 s TYR 51 Cb -0.07 0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.42 1s50 s TYR 51 CO 0.27 -0.88 -0.02 -2.00 -1.52 0.00 0.00 175.55 171.39 1s50 s GLU 52 N -3.98 0.86 0.00 -3.49 2.12 -0.12 -4.85 118.70 109.24 1s50 s GLU 52 Ca 0.19 -0.00 -0.23 0.00 0.36 0.00 0.00 54.97 55.28 1s50 s GLU 52 Cb 0.01 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.24 1s50 s GLU 52 CO 0.04 -0.27 0.70 0.42 -0.54 0.00 0.00 175.26 175.61 1s50 s ILE 53 N 1.79 4.86 -0.05 -3.70 1.01 -1.26 -0.86 121.20 122.99 1s50 s ILE 53 Ca 0.03 1.46 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 1s50 s ILE 53 Cb -0.13 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1s50 s ILE 53 CO -0.05 0.35 -0.00 -0.13 0.00 0.00 0.00 174.94 175.11 1s50 s ARG 54 N 0.11 0.48 0.22 2.79 0.52 0.04 -4.84 118.95 118.28 1s50 s ARG 54 Ca 0.36 0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 1s50 s ARG 54 Cb -0.19 -0.76 -0.09 0.00 0.52 0.00 0.00 34.95 34.43 1s50 s ARG 54 CO 0.20 -0.22 1.28 -0.51 0.02 0.00 0.00 175.30 176.07 1s50 s LEU 55 N 1.53 4.43 -0.09 2.53 1.43 -1.26 -2.54 118.68 124.71 1s50 s LEU 55 Ca -0.02 2.40 -0.37 0.00 -1.03 0.00 0.00 54.13 55.11 1s50 s LEU 55 Cb -0.13 -3.61 -0.15 0.00 0.03 0.00 0.00 46.19 42.33 1s50 s LEU 55 CO -0.03 -0.48 1.65 0.55 0.23 0.00 0.00 176.35 178.27 1s50 n VAL 56 N 2.32 0.25 -0.16 -1.59 3.14 0.13 -4.86 118.33 117.57 1s50 n VAL 56 Ca 0.05 -0.05 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1s50 n VAL 56 Cb 0.43 -1.30 0.06 0.00 -1.06 0.00 0.00 33.84 31.97 1s50 n VAL 56 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1s50 h GLU 57 N 6.83 0.14 -0.13 1.45 4.81 -1.91 -1.59 114.58 124.18 1s50 h GLU 57 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1s50 h GLU 57 Cb 1.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1s50 h GLU 57 CO 0.90 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.87 1s50 n ASP 58 N -5.20 1.01 -2.21 1.04 5.68 -1.26 -4.92 116.55 110.69 1s50 n ASP 58 Ca 0.05 -1.72 -0.20 0.00 -0.50 0.00 0.00 54.79 52.43 1s50 n ASP 58 Cb 0.26 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 1s50 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s50 n GLY 59 N 0.94 0.08 3.49 6.12 0.00 -0.60 -4.95 105.19 110.26 1s50 n GLY 59 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1s50 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s50 s LYS 60 N -4.72 1.77 -0.11 1.61 1.02 -1.26 -5.03 119.74 113.01 1s50 s LYS 60 Ca 0.00 -1.58 -0.14 0.00 0.02 0.00 0.00 55.97 54.27 1s50 s LYS 60 Cb 0.00 -1.90 -0.12 0.00 -0.52 0.00 0.00 37.83 35.29 1s50 s LYS 60 CO 0.00 0.37 0.41 1.88 -0.92 0.00 0.00 175.35 177.09 1s50 h TYR 61 N 2.59 -0.03 0.00 3.18 -1.99 -1.87 -2.30 116.97 116.54 1s50 h TYR 61 Ca -0.43 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1s50 h TYR 61 Cb 1.24 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1s50 h TYR 61 CO 0.73 0.42 0.00 0.41 -0.00 0.00 0.00 178.16 179.73 1s50 n GLY 62 N 1.56 3.43 3.22 3.88 0.00 -0.67 -1.35 105.19 115.26 1s50 n GLY 62 Ca -0.05 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1s50 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s50 s ALA 63 N 0.00 -0.40 -0.07 4.61 0.00 -1.25 -4.55 121.76 120.11 1s50 s ALA 63 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1s50 s ALA 63 Cb 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1s50 s ALA 63 CO 0.00 -0.47 0.21 -1.14 0.00 0.00 0.00 175.76 174.36 1s50 s GLN 64 N -3.36 3.55 0.15 0.00 0.74 -1.26 -2.69 119.66 116.78 1s50 s GLN 64 Ca 0.01 -0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.09 1s50 s GLN 64 Cb 0.02 -3.17 -0.07 0.00 1.10 0.00 0.00 33.01 30.90 1s50 s GLN 64 CO -0.08 0.73 0.89 0.34 -0.55 0.00 0.00 175.29 176.62 1s50 s ASP 65 N -1.24 7.48 0.25 6.67 -1.08 0.05 -4.95 116.67 123.84 1s50 s ASP 65 Ca 0.20 1.76 -0.06 0.00 -0.52 0.00 0.00 52.55 53.93 1s50 s ASP 65 Cb -0.13 -2.56 0.27 0.00 -1.46 0.00 0.00 42.92 39.04 1s50 s ASP 65 CO 0.09 0.06 1.92 0.44 0.52 0.00 0.00 175.17 178.19 1s50 h ASP 66 N 4.99 1.11 0.00 -0.34 3.32 -1.96 -1.24 116.42 122.30 1s50 h ASP 66 Ca -0.44 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1s50 h ASP 66 Cb 1.21 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1s50 h ASP 66 CO 0.70 0.79 -0.29 -0.37 -1.72 0.00 0.00 179.24 178.34 1s50 h VAL 67 N 1.30 0.27 0.00 -1.35 -1.51 -1.98 -3.39 116.25 109.59 1s50 h VAL 67 Ca 0.37 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1s50 h VAL 67 Cb -0.10 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1s50 h VAL 67 CO -0.09 0.09 -0.24 -0.46 -1.23 0.00 0.00 177.57 175.64 1s50 n ASN 68 N -4.67 0.34 -0.23 4.19 0.23 -1.26 -4.93 115.26 108.93 1s50 n ASN 68 Ca -0.06 0.21 -0.03 0.00 -0.53 0.00 0.00 54.58 54.17 1s50 n ASN 68 Cb 0.21 -0.20 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1s50 n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s50 n GLY 69 N 1.46 0.48 3.81 4.83 0.00 -0.47 -4.98 105.19 110.32 1s50 n GLY 69 Ca 0.06 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1s50 n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s50 s GLN 70 N -1.64 4.30 0.37 1.61 -0.21 -1.26 -4.64 119.66 118.19 1s50 s GLN 70 Ca 0.00 1.01 0.05 0.00 0.02 0.00 0.00 55.36 56.43 1s50 s GLN 70 Cb 0.00 -2.66 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 1s50 s GLN 70 CO 0.00 0.25 0.53 -1.58 -2.12 0.00 0.00 175.29 172.37 1s50 s TRP 71 N -1.74 3.15 0.02 0.91 0.52 -1.26 -0.77 118.94 119.76 1s50 s TRP 71 Ca 0.50 -0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.55 1s50 s TRP 71 Cb -0.15 -2.09 -0.00 0.00 -1.15 0.00 0.00 33.47 30.08 1s50 s TRP 71 CO 0.20 -0.11 0.01 0.27 0.02 0.00 0.00 176.95 177.33 1s50 n ASN 72 N -1.77 0.49 0.00 2.95 0.23 -1.10 -4.70 115.26 111.37 1s50 n ASN 72 Ca 0.00 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 1s50 n ASN 72 Cb 0.58 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1s50 n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s50 n GLY 73 N 1.16 0.64 0.26 4.83 0.00 -1.26 -2.19 105.19 108.63 1s50 n GLY 73 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.20 1s50 n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s50 h MET 74 N 0.00 0.29 -0.12 1.61 2.86 -0.61 -2.10 114.93 116.85 1s50 h MET 74 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1s50 h MET 74 Cb 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1s50 h MET 74 CO 0.00 0.32 0.08 0.28 1.06 0.00 0.00 176.91 178.65 1s50 h VAL 75 N 0.28 1.05 -0.81 -2.22 2.07 -1.57 -2.16 116.25 112.89 1s50 h VAL 75 Ca 0.07 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1s50 h VAL 75 Cb 0.21 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1s50 h VAL 75 CO 0.00 0.05 0.43 -0.09 0.02 0.00 0.00 177.57 177.98 1s50 h ARG 76 N 0.15 1.14 -0.43 1.57 9.65 -0.96 -1.46 114.38 124.04 1s50 h ARG 76 Ca 0.04 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1s50 h ARG 76 Cb 0.01 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 1s50 h ARG 76 CO -0.01 0.85 0.24 0.93 2.80 0.00 0.00 179.97 184.79 1s50 h GLU 77 N 1.13 0.58 -0.12 0.20 5.08 -1.10 -0.68 114.58 119.67 1s50 h GLU 77 Ca 0.28 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1s50 h GLU 77 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1s50 h GLU 77 CO -0.04 0.42 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.96 1s50 h LEU 78 N 0.59 0.51 -0.60 1.33 3.38 -0.88 0.31 115.31 119.95 1s50 h LEU 78 Ca 0.15 -0.60 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1s50 h LEU 78 Cb 0.00 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1s50 h LEU 78 CO -0.03 1.02 0.29 0.40 0.09 0.00 0.00 178.44 180.21 1s50 h ILE 79 N 0.03 0.89 -0.15 1.22 2.04 -0.63 -1.17 117.51 119.74 1s50 h ILE 79 Ca -0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1s50 h ILE 79 Cb 0.97 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1s50 h ILE 79 CO 0.08 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.79 1s50 n ASP 80 N -4.89 0.83 -3.33 1.72 8.00 -0.32 -4.90 116.55 113.67 1s50 n ASP 80 Ca 0.07 -1.97 -0.24 0.00 0.71 0.00 0.00 54.79 53.36 1s50 n ASP 80 Cb 0.20 -0.10 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1s50 n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s50 n HIS 81 N -0.06 -2.22 1.09 1.24 8.25 -0.44 -4.84 115.22 118.23 1s50 n HIS 81 Ca 0.06 0.69 0.12 0.00 -0.26 0.00 0.00 57.72 58.33 1s50 n HIS 81 Cb 0.14 -4.35 0.31 0.00 1.12 0.00 0.00 29.99 27.21 1s50 n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s50 n LYS 82 N -4.32 0.28 -3.75 -0.41 5.02 0.11 -4.85 118.16 110.23 1s50 n LYS 82 Ca -0.05 -0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 55.95 1s50 n LYS 82 Cb 0.58 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 1s50 n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s50 s ALA 83 N -2.83 -0.84 -0.01 7.82 0.00 -1.15 -4.96 121.76 119.79 1s50 s ALA 83 Ca 0.16 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1s50 s ALA 83 Cb 0.18 -0.14 -0.27 0.00 0.00 0.00 0.00 23.12 22.90 1s50 s ALA 83 CO 0.63 -0.23 0.82 -0.44 0.00 0.00 0.00 175.76 176.54 1s50 h ASP 84 N 4.39 0.32 -5.11 0.00 3.32 -0.94 -3.42 116.42 114.98 1s50 h ASP 84 Ca -0.29 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 56.16 1s50 h ASP 84 Cb 1.18 -0.10 -0.17 0.00 0.22 0.00 0.00 39.33 40.45 1s50 h ASP 84 CO 0.36 1.40 -0.56 -0.76 -1.72 0.00 0.00 179.24 177.96 1s50 s LEU 85 N -6.86 1.95 -0.26 1.55 1.43 -0.98 -4.21 118.68 111.30 1s50 s LEU 85 Ca -0.09 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1s50 s LEU 85 Cb 0.07 0.51 0.06 0.00 0.03 0.00 0.00 46.19 46.86 1s50 s LEU 85 CO 0.84 -0.52 -0.08 0.00 0.23 0.00 0.00 176.35 176.82 1s50 s ALA 86 N -2.83 2.38 -0.42 4.21 0.00 0.24 -0.83 121.76 124.51 1s50 s ALA 86 Ca -0.03 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 1s50 s ALA 86 Cb 0.00 -1.56 0.11 0.00 0.00 0.00 0.00 23.12 21.68 1s50 s ALA 86 CO -0.06 -1.23 0.23 0.08 0.00 0.00 0.00 175.76 174.78 1s50 s VAL 87 N 1.19 3.39 0.28 0.00 1.01 -0.88 -1.58 120.40 123.80 1s50 s VAL 87 Ca -0.07 -2.08 -0.19 0.00 0.00 0.00 0.00 61.98 59.64 1s50 s VAL 87 Cb -0.20 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 32.94 1s50 s VAL 87 CO -0.06 -0.71 0.92 0.00 0.00 0.00 0.00 175.10 175.25 1s50 s ALA 88 N 1.10 -1.21 -1.32 5.51 0.00 -1.26 -4.62 121.76 119.96 1s50 s ALA 88 Ca 0.08 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 1s50 s ALA 88 Cb -0.23 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1s50 s ALA 88 CO -0.04 -1.03 2.16 -0.35 0.00 0.00 0.00 175.76 176.51 1s50 n PRO 89 N -0.61 2.59 -3.35 0.00 -0.04 -1.26 -4.67 135.00 127.66 1s50 n PRO 89 Ca -0.05 -2.46 -0.42 0.00 -0.04 0.00 0.00 63.50 60.53 1s50 n PRO 89 Cb 0.60 -3.22 -0.09 0.00 -0.04 0.00 0.00 33.50 30.75 1s50 n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s50 s LEU 90 N 2.05 4.60 0.17 1.53 2.96 -1.26 -5.01 118.68 123.72 1s50 s LEU 90 Ca 0.49 -0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 53.70 1s50 s LEU 90 Cb 0.14 -2.39 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 1s50 s LEU 90 CO -0.05 -0.46 1.45 0.00 -1.32 0.00 0.00 176.35 175.97 1s50 s ALA 91 N 2.12 3.65 -0.36 5.97 0.00 -1.26 -1.69 121.76 130.20 1s50 s ALA 91 Ca 0.13 1.25 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 1s50 s ALA 91 Cb -0.17 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1s50 s ALA 91 CO 0.13 -0.69 0.90 0.42 0.00 0.00 0.00 175.76 176.51 1s50 s ILE 92 N 0.73 4.63 0.07 0.00 1.01 -0.06 -4.89 121.20 122.68 1s50 s ILE 92 Ca 0.64 1.18 0.04 0.00 0.00 0.00 0.00 60.65 62.51 1s50 s ILE 92 Cb -0.40 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 1s50 s ILE 92 CO 0.35 -0.48 -0.11 0.42 0.00 0.00 0.00 174.94 175.12 1s50 s THR 93 N 3.35 0.88 0.19 2.92 -4.23 -1.26 -4.58 115.64 112.91 1s50 s THR 93 Ca 0.37 -1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1s50 s THR 93 Cb -0.12 -1.05 0.11 0.00 1.34 0.00 0.00 72.50 72.78 1s50 s THR 93 CO 0.17 -0.40 1.73 0.22 -0.54 0.00 0.00 174.62 175.80 1s50 h TYR 94 N 4.07 0.24 -0.24 3.99 3.20 -1.98 0.37 116.97 126.62 1s50 h TYR 94 Ca -0.38 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 1s50 h TYR 94 Cb 1.19 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1s50 h TYR 94 CO 0.64 0.04 0.09 -0.39 -1.64 0.00 0.00 178.16 176.90 1s50 h VAL 95 N 0.30 1.10 0.02 1.81 -1.51 -2.01 -1.90 116.25 114.06 1s50 h VAL 95 Ca 0.26 -0.30 -0.25 0.00 -1.23 0.00 0.00 66.70 65.18 1s50 h VAL 95 Cb 0.33 0.82 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1s50 h VAL 95 CO -0.30 0.11 -1.03 0.03 -1.23 0.00 0.00 177.57 175.15 1s50 h ARG 96 N 0.33 0.52 0.00 5.19 3.08 -1.66 -3.15 114.38 118.68 1s50 h ARG 96 Ca 0.08 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1s50 h ARG 96 Cb 0.07 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1s50 h ARG 96 CO -0.01 1.22 0.00 0.93 -1.07 0.00 0.00 179.97 181.04 1s50 h GLU 97 N 0.28 0.00 0.00 0.04 5.08 -0.17 -0.70 114.58 119.10 1s50 h GLU 97 Ca -0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1s50 h GLU 97 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1s50 h GLU 97 CO 0.19 0.00 -0.19 0.87 -1.00 0.00 0.00 179.01 178.88 1s50 h LYS 98 N 0.00 0.00 0.00 2.33 1.57 -1.42 -3.35 116.57 115.70 1s50 h LYS 98 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1s50 h LYS 98 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1s50 h LYS 98 CO 0.00 0.19 -1.21 1.33 -0.57 0.00 0.00 179.45 179.20 1s50 n VAL 99 N -3.24 0.03 -4.15 0.50 0.24 -0.52 -5.07 118.33 106.12 1s50 n VAL 99 Ca 0.01 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 1s50 n VAL 99 Cb 0.49 0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 1s50 n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s50 s ILE 100 N -2.28 0.05 0.15 1.34 -4.36 -0.39 -4.24 121.20 111.49 1s50 s ILE 100 Ca -0.02 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 1s50 s ILE 100 Cb 0.03 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1s50 s ILE 100 CO 0.18 -0.25 0.11 -1.81 0.24 0.00 0.00 174.94 173.41 1s50 s ASP 101 N -3.09 5.42 0.07 4.36 1.01 -0.56 -4.09 116.67 119.80 1s50 s ASP 101 Ca 0.30 -0.14 0.07 0.00 0.71 0.00 0.00 52.55 53.48 1s50 s ASP 101 Cb 0.07 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 1s50 s ASP 101 CO 0.06 0.09 -0.18 -0.36 0.21 0.00 0.00 175.17 174.99 1s50 s PHE 102 N -1.68 1.54 0.92 4.23 0.40 -1.26 -1.10 117.98 121.04 1s50 s PHE 102 Ca 0.30 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 1s50 s PHE 102 Cb -0.10 -0.88 0.17 0.00 0.51 0.00 0.00 43.02 42.72 1s50 s PHE 102 CO 0.22 0.12 1.28 -1.54 0.70 0.00 0.00 175.22 176.00 1s50 s SER 103 N -1.59 3.49 0.78 1.36 1.04 -0.17 -4.94 113.70 113.67 1s50 s SER 103 Ca 0.04 0.41 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 1s50 s SER 103 Cb -0.09 -0.58 0.07 0.00 0.10 0.00 0.00 66.02 65.52 1s50 s SER 103 CO 0.03 -2.51 1.14 -0.54 0.98 0.00 0.00 173.24 172.33 1s50 s LYS 104 N -5.80 2.00 0.37 4.02 1.02 -1.26 -4.55 119.74 115.53 1s50 s LYS 104 Ca 0.71 1.47 -0.27 0.00 0.02 0.00 0.00 55.97 57.90 1s50 s LYS 104 Cb -0.06 -1.85 -0.09 0.00 -0.52 0.00 0.00 37.83 35.32 1s50 s LYS 104 CO 0.52 -1.89 1.20 -1.25 -0.92 0.00 0.00 175.35 173.02 1s50 s PRO 105 N -4.43 4.19 0.00 -1.68 0.04 -1.26 -4.57 135.00 127.29 1s50 s PRO 105 Ca 0.67 1.94 0.21 0.00 0.04 0.00 0.00 61.00 63.86 1s50 s PRO 105 Cb -0.22 -2.84 -0.14 0.00 0.04 0.00 0.00 34.50 31.34 1s50 s PRO 105 CO 0.51 -0.24 0.94 1.97 0.04 0.00 0.00 177.00 180.22 1s50 n PHE 106 N 0.38 0.00 -3.63 0.56 1.16 -0.24 -4.95 117.46 110.74 1s50 n PHE 106 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.46 1s50 n PHE 106 Cb 0.45 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.24 1s50 n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1s50 s MET 107 N -2.72 0.81 0.17 3.97 0.00 -1.25 -5.00 119.30 115.27 1s50 s MET 107 Ca 0.12 0.60 0.08 0.00 0.00 0.00 0.00 55.69 56.48 1s50 s MET 107 Cb 0.16 0.39 -0.04 0.00 0.00 0.00 0.00 34.83 35.34 1s50 s MET 107 CO 0.73 -0.16 -0.02 0.95 0.00 0.00 0.00 175.02 176.52 1s50 s THR 108 N -0.24 3.62 0.06 10.11 -4.23 -1.26 -0.79 115.64 122.91 1s50 s THR 108 Ca -0.04 -1.46 -0.03 0.00 -1.18 0.00 0.00 61.69 58.98 1s50 s THR 108 Cb -0.03 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.01 1s50 s THR 108 CO 0.04 -0.10 0.17 0.00 -0.54 0.00 0.00 174.62 174.19 1s50 n LEU 109 N -0.06 0.00 -3.50 4.79 -0.00 0.51 -4.83 117.00 113.90 1s50 n LEU 109 Ca -0.10 -0.41 -0.12 0.00 -0.00 0.00 0.00 56.01 55.38 1s50 n LEU 109 Cb 0.55 0.66 -0.04 0.00 -0.00 0.00 0.00 43.42 44.59 1s50 n LEU 109 CO 0.38 -0.14 0.58 -0.83 -0.00 0.00 0.00 177.39 177.38 1s50 s GLY 110 N -1.73 -0.49 0.29 1.47 0.00 -1.26 -1.08 107.32 104.52 1s50 s GLY 110 Ca 0.04 1.19 -0.29 0.00 0.00 0.00 0.00 44.72 45.66 1s50 s GLY 110 CO 0.02 0.61 1.13 -0.42 0.00 0.00 0.00 173.10 174.43 1s50 s ILE 111 N -2.33 3.37 0.00 0.90 1.01 -1.26 0.03 121.20 122.92 1s50 s ILE 111 Ca -0.01 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.02 1s50 s ILE 111 Cb -0.01 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1s50 s ILE 111 CO -0.03 0.33 0.00 -0.24 0.00 0.00 0.00 174.94 175.00 1s50 n SER 112 N 1.12 0.00 -4.26 3.58 2.88 -0.48 0.20 113.62 116.65 1s50 n SER 112 Ca -0.01 -0.78 -0.32 0.00 -1.33 0.00 0.00 58.87 56.43 1s50 n SER 112 Cb 0.44 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.74 1s50 n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s50 s ILE 113 N -2.33 2.23 -0.20 2.46 1.01 -1.24 -1.71 121.20 121.41 1s50 s ILE 113 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 1s50 s ILE 113 Cb 0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1s50 s ILE 113 CO 0.00 0.56 0.07 -0.22 0.00 0.00 0.00 174.94 175.35 1s50 s LEU 114 N 0.15 3.71 0.00 2.97 2.96 0.10 -0.23 118.68 128.34 1s50 s LEU 114 Ca -0.12 -0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1s50 s LEU 114 Cb -0.16 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1s50 s LEU 114 CO 0.07 0.11 0.58 0.00 -1.32 0.00 0.00 176.35 175.79 1s50 n TYR 115 N 3.95 -1.79 -2.48 5.38 9.36 -0.55 -0.79 117.16 130.25 1s50 n TYR 115 Ca -0.16 -1.97 -0.25 0.00 3.32 0.00 0.00 57.90 58.84 1s50 n TYR 115 Cb 0.52 0.67 0.04 0.00 -0.63 0.00 0.00 39.34 39.94 1s50 n TYR 115 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1s50 s ARG 116 N -2.44 2.75 0.83 2.98 1.70 -1.26 -0.86 118.95 122.65 1s50 s ARG 116 Ca 0.21 -0.23 -0.09 0.00 -0.47 0.00 0.00 55.73 55.16 1s50 s ARG 116 Cb -0.03 -2.32 0.15 0.00 -0.57 0.00 0.00 34.95 32.18 1s50 s ARG 116 CO 0.16 -0.74 1.15 0.15 -1.08 0.00 0.00 175.30 174.93 1s50 s LYS 117 N -4.95 1.30 -0.69 3.89 1.02 -1.14 -4.57 119.74 114.61 1s50 s LYS 117 Ca 0.55 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1s50 s LYS 117 Cb -0.10 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1s50 s LYS 117 CO 0.43 -1.85 0.00 0.41 -0.92 0.00 0.00 175.35 173.42 1s50 n GLY 118 N -3.28 0.59 3.40 -3.33 0.00 -1.26 -5.05 105.19 96.27 1s50 n GLY 118 Ca 0.14 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1s50 n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s50 s THR 119 N -2.29 1.81 -1.10 2.61 -4.23 -1.26 -5.04 115.64 106.14 1s50 s THR 119 Ca 0.00 -2.20 0.28 0.00 -1.18 0.00 0.00 61.69 58.59 1s50 s THR 119 Cb 0.00 -2.26 0.21 0.00 1.34 0.00 0.00 72.50 71.78 1s50 s THR 119 CO 0.00 -0.44 1.77 -0.81 -0.54 0.00 0.00 174.62 174.60 1s50 n PRO 120 N -0.51 0.11 -1.67 3.99 -0.04 -1.26 -4.91 135.00 130.71 1s50 n PRO 120 Ca -0.06 -0.03 -0.45 0.00 -0.04 0.00 0.00 63.50 62.92 1s50 n PRO 120 Cb 0.62 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1s50 n PRO 120 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1s50 n ILE 121 N -1.42 0.82 -0.33 0.52 3.06 -1.26 -4.90 119.36 115.85 1s50 n ILE 121 Ca 0.08 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1s50 n ILE 121 Cb 0.33 -1.46 0.00 0.00 0.54 0.00 0.00 39.64 39.04 1s50 n ILE 121 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1s50 n ASP 122 N 2.30 0.13 -3.63 9.51 10.43 -1.26 -4.88 116.55 129.15 1s50 n ASP 122 Ca 0.12 -0.54 -0.05 0.00 2.57 0.00 0.00 54.79 56.89 1s50 n ASP 122 Cb 0.31 0.15 -0.01 0.00 1.84 0.00 0.00 41.12 43.42 1s50 n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1s50 s SER 123 N -0.15 -0.15 0.41 -2.24 1.04 -1.26 -3.33 113.70 108.02 1s50 s SER 123 Ca 0.00 -0.58 0.08 0.00 0.48 0.00 0.00 55.95 55.93 1s50 s SER 123 Cb 0.00 0.59 0.87 0.00 0.10 0.00 0.00 66.02 67.58 1s50 s SER 123 CO 0.00 -1.11 2.02 0.00 0.98 0.00 0.00 173.24 175.12 1s50 h ALA 124 N 2.00 1.66 -0.84 5.32 0.00 -1.98 -1.84 119.26 123.59 1s50 h ALA 124 Ca -0.24 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1s50 h ALA 124 Cb 1.24 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1s50 h ALA 124 CO 0.28 0.27 0.55 -0.44 0.00 0.00 0.00 179.25 179.91 1s50 h ASP 125 N 0.40 0.86 -0.00 0.00 5.19 -1.95 0.60 116.42 121.52 1s50 h ASP 125 Ca 0.10 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1s50 h ASP 125 Cb 0.09 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1s50 h ASP 125 CO -0.01 0.57 -0.11 0.44 -3.12 0.00 0.00 179.24 177.00 1s50 h ASP 126 N 0.98 0.25 0.16 6.45 3.32 -1.73 -2.78 116.42 123.07 1s50 h ASP 126 Ca 0.35 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 57.12 1s50 h ASP 126 Cb 0.14 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 39.65 1s50 h ASP 126 CO -0.12 0.39 -1.03 -0.07 -1.72 0.00 0.00 179.24 176.70 1s50 h LEU 127 N 0.25 0.62 -1.52 1.55 3.38 -1.16 -3.36 115.31 115.07 1s50 h LEU 127 Ca 0.05 -0.92 0.02 0.00 0.09 0.00 0.00 57.88 57.13 1s50 h LEU 127 Cb 0.36 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1s50 h LEU 127 CO 0.02 1.49 0.35 0.00 0.09 0.00 0.00 178.44 180.39 1s50 h ALA 128 N 0.14 1.71 -0.03 1.53 0.00 -0.78 -2.72 119.26 119.11 1s50 h ALA 128 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s50 h ALA 128 Cb 1.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1s50 h ALA 128 CO 0.19 0.24 0.00 0.36 0.00 0.00 0.00 179.25 180.05 1s50 n LYS 129 N -4.47 1.13 -4.16 0.00 2.85 -1.06 -4.86 118.16 107.59 1s50 n LYS 129 Ca 0.06 -0.19 -0.14 0.00 -1.05 0.00 0.00 58.31 56.98 1s50 n LYS 129 Cb 0.11 -1.33 -0.07 0.00 -0.65 0.00 0.00 35.03 33.09 1s50 n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s50 s GLN 130 N -1.97 1.60 -0.00 -1.58 1.03 -1.03 -5.07 119.66 112.64 1s50 s GLN 130 Ca 0.31 -1.71 0.01 0.00 0.04 0.00 0.00 55.36 54.00 1s50 s GLN 130 Cb 0.15 0.36 0.01 0.00 0.03 0.00 0.00 33.01 33.56 1s50 s GLN 130 CO 0.24 -0.61 0.68 0.25 -2.54 0.00 0.00 175.29 173.31 1s50 n THR 131 N -0.46 0.29 -0.01 3.63 -2.24 -1.26 -4.82 114.28 109.41 1s50 n THR 131 Ca 0.03 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1s50 n THR 131 Cb 0.63 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 1s50 n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s50 h LYS 132 N 0.00 -0.09 -6.08 -0.78 3.64 -1.97 -3.41 116.57 107.88 1s50 h LYS 132 Ca 0.00 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.80 1s50 h LYS 132 Cb 0.91 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.68 1s50 h LYS 132 CO 0.00 0.45 0.65 0.42 -2.27 0.00 0.00 179.45 178.71 1s50 s ILE 133 N -2.79 4.62 0.58 2.00 1.01 -1.26 -4.91 121.20 120.45 1s50 s ILE 133 Ca -0.13 1.48 -0.06 0.00 0.00 0.00 0.00 60.65 61.94 1s50 s ILE 133 Cb -0.01 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1s50 s ILE 133 CO 0.48 -0.40 0.89 -1.61 0.00 0.00 0.00 174.94 174.31 1s50 s GLU 134 N 3.37 3.00 0.07 2.79 2.02 -0.62 -4.89 118.70 124.44 1s50 s GLU 134 Ca 0.40 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 55.20 1s50 s GLU 134 Cb -0.13 -2.28 0.05 0.00 0.10 0.00 0.00 34.13 31.88 1s50 s GLU 134 CO 0.14 -0.65 0.52 1.52 0.02 0.00 0.00 175.26 176.82 1s50 s TYR 135 N -2.97 -0.42 0.00 1.61 -0.85 -1.26 -0.65 117.35 112.81 1s50 s TYR 135 Ca 0.53 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.48 1s50 s TYR 135 Cb -0.11 0.37 0.00 0.00 0.38 0.00 0.00 41.96 42.61 1s50 s TYR 135 CO 0.45 -0.69 0.00 0.41 -1.52 0.00 0.00 175.55 174.21 1s50 n GLY 136 N 0.20 1.63 3.62 5.49 0.00 -1.18 -4.78 105.19 110.18 1s50 n GLY 136 Ca -0.18 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1s50 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s50 s ALA 137 N -1.00 -0.00 0.12 4.61 0.00 -1.22 -1.12 121.76 123.14 1s50 s ALA 137 Ca 0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.56 1s50 s ALA 137 Cb 0.00 0.98 -0.09 0.00 0.00 0.00 0.00 23.12 24.02 1s50 s ALA 137 CO 0.00 -0.87 1.48 0.08 0.00 0.00 0.00 175.76 176.44 1s50 s VAL 138 N -3.11 3.06 0.29 0.00 1.01 -1.26 -1.12 120.40 119.27 1s50 s VAL 138 Ca 0.23 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1s50 s VAL 138 Cb -0.02 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 1s50 s VAL 138 CO 0.14 0.05 1.33 -0.70 0.00 0.00 0.00 175.10 175.92 1s50 s GLU 139 N 1.35 4.35 -1.39 2.72 2.12 0.84 -3.21 118.70 125.48 1s50 s GLU 139 Ca 0.67 2.19 -0.06 0.00 0.36 0.00 0.00 54.97 58.14 1s50 s GLU 139 Cb -0.39 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1s50 s GLU 139 CO 0.30 -0.23 0.75 -0.25 -0.54 0.00 0.00 175.26 175.30 1s50 n ASP 140 N 1.40 -5.92 -4.75 -1.70 8.00 -1.26 -4.80 116.55 107.51 1s50 n ASP 140 Ca 0.02 -0.35 -0.33 0.00 0.71 0.00 0.00 54.79 54.85 1s50 n ASP 140 Cb 0.42 -4.68 -0.08 0.00 -0.02 0.00 0.00 41.12 36.76 1s50 n ASP 140 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s50 s GLY 141 N -2.92 3.02 0.32 0.44 0.00 -1.20 -1.67 107.32 105.32 1s50 s GLY 141 Ca 0.37 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.77 1s50 s GLY 141 CO 0.46 -2.19 1.77 0.00 0.00 0.00 0.00 173.10 173.14 1s50 h ALA 142 N 1.36 1.23 -0.41 3.20 0.00 -1.88 -2.29 119.26 120.47 1s50 h ALA 142 Ca -0.44 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 1s50 h ALA 142 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1s50 h ALA 142 CO 0.74 0.51 -0.05 1.15 0.00 0.00 0.00 179.25 181.59 1s50 h THR 143 N 0.26 1.27 -0.55 0.00 2.02 -1.96 0.65 112.91 114.61 1s50 h THR 143 Ca 0.04 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1s50 h THR 143 Cb 0.64 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1s50 h THR 143 CO 0.05 0.38 0.29 -0.03 0.37 0.00 0.00 175.52 176.57 1s50 h MET 144 N 0.58 0.77 -0.38 6.66 -1.53 -1.71 -2.44 114.93 116.88 1s50 h MET 144 Ca 0.11 -0.10 -0.06 0.00 -3.44 0.00 0.00 59.70 56.21 1s50 h MET 144 Cb 0.56 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.44 1s50 h MET 144 CO 0.03 0.60 -0.01 1.15 0.14 0.00 0.00 176.91 178.82 1s50 h THR 145 N 0.73 1.22 0.17 -0.77 2.02 -1.21 -0.79 112.91 114.28 1s50 h THR 145 Ca 0.19 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1s50 h THR 145 Cb 0.06 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1s50 h THR 145 CO -0.03 0.30 -0.18 0.15 0.37 0.00 0.00 175.52 176.13 1s50 h PHE 146 N 0.57 -0.48 -0.33 3.16 3.57 -0.40 -2.47 116.94 120.57 1s50 h PHE 146 Ca 0.12 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1s50 h PHE 146 Cb 0.38 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1s50 h PHE 146 CO 0.02 -0.27 -0.22 0.74 -2.23 0.00 0.00 178.31 176.34 1s50 h PHE 147 N -0.39 0.71 -0.35 0.41 -1.00 -1.27 -1.87 116.94 113.18 1s50 h PHE 147 Ca 0.01 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.63 1s50 h PHE 147 Cb 0.37 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1s50 h PHE 147 CO -0.15 0.80 0.18 -0.22 -1.61 0.00 0.00 178.31 177.30 1s50 h LYS 148 N 0.56 0.47 -0.00 1.51 3.64 -0.91 -3.14 116.57 118.70 1s50 h LYS 148 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1s50 h LYS 148 Cb 0.68 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1s50 h LYS 148 CO 0.05 0.36 -0.53 1.63 -2.27 0.00 0.00 179.45 178.69 1s50 n LYS 149 N -4.43 2.49 -2.05 1.90 4.76 -0.95 -5.01 118.16 114.87 1s50 n LYS 149 Ca 0.02 -0.18 -0.40 0.00 -2.87 0.00 0.00 58.31 54.88 1s50 n LYS 149 Cb 0.11 -1.13 -0.01 0.00 -1.84 0.00 0.00 35.03 32.15 1s50 n LYS 149 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1s50 s SER 150 N -2.10 6.46 0.00 4.39 0.15 -0.71 -4.92 113.70 116.97 1s50 s SER 150 Ca 0.06 2.71 0.18 0.00 0.70 0.00 0.00 55.95 59.60 1s50 s SER 150 Cb 0.10 -2.65 0.10 0.00 -1.71 0.00 0.00 66.02 61.87 1s50 s SER 150 CO 0.49 -0.75 1.03 0.29 1.20 0.00 0.00 173.24 175.50 1s50 n LYS 151 N 0.38 1.57 -1.90 5.44 4.76 -1.26 -4.33 118.16 122.81 1s50 n LYS 151 Ca 0.02 -1.38 -0.42 0.00 -2.87 0.00 0.00 58.31 53.67 1s50 n LYS 151 Cb 0.42 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 1s50 n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s50 s ILE 152 N -1.68 2.53 0.16 -0.18 -1.09 -1.26 -4.81 121.20 114.86 1s50 s ILE 152 Ca 0.19 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 58.71 1s50 s ILE 152 Cb 0.15 -3.24 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1s50 s ILE 152 CO 0.29 0.03 1.55 -1.28 -1.23 0.00 0.00 174.94 174.31 1s50 h SER 153 N 6.68 -1.76 -0.65 3.58 0.87 -1.99 0.18 113.55 120.46 1s50 h SER 153 Ca -0.43 0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1s50 h SER 153 Cb 1.20 0.78 -0.06 0.00 -0.44 0.00 0.00 62.40 63.89 1s50 h SER 153 CO 0.91 -0.33 0.35 0.74 -0.53 0.00 0.00 176.83 177.97 1s50 h THR 154 N -0.21 0.94 0.00 2.23 2.02 -2.00 -1.64 112.91 114.25 1s50 h THR 154 Ca 0.16 -0.22 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 1s50 h THR 154 Cb 0.54 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1s50 h THR 154 CO -0.75 0.12 -0.70 1.88 0.37 0.00 0.00 175.52 176.44 1s50 h TYR 155 N 0.63 0.00 -0.47 3.16 0.99 -1.71 -1.99 116.97 117.58 1s50 h TYR 155 Ca 0.30 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.94 1s50 h TYR 155 Cb 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.93 1s50 h TYR 155 CO -0.09 0.70 -0.04 0.22 -0.00 0.00 0.00 178.16 178.94 1s50 h ASP 156 N 0.00 0.86 -0.63 3.88 3.58 -0.27 -1.00 116.42 122.83 1s50 h ASP 156 Ca -0.01 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.03 1s50 h ASP 156 Cb 1.27 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 1s50 h ASP 156 CO 0.09 0.98 0.08 0.50 -2.88 0.00 0.00 179.24 178.02 1s50 h LYS 157 N 0.71 1.08 -0.32 0.28 3.64 -1.18 -1.59 116.57 119.18 1s50 h LYS 157 Ca 0.13 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1s50 h LYS 157 Cb 0.57 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1s50 h LYS 157 CO 0.03 1.00 -0.16 0.52 -2.27 0.00 0.00 179.45 178.57 1s50 h MET 158 N 1.00 0.56 -0.13 1.90 2.86 -1.13 -1.87 114.93 118.12 1s50 h MET 158 Ca 0.19 -0.19 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 1s50 h MET 158 Cb 0.46 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1s50 h MET 158 CO 0.02 0.71 -0.54 2.35 1.06 0.00 0.00 176.91 180.50 1s50 h TRP 159 N 0.51 0.48 -0.83 -0.22 2.91 -0.87 -1.05 115.95 116.89 1s50 h TRP 159 Ca 0.09 -0.17 -0.00 0.00 1.13 0.00 0.00 58.89 59.94 1s50 h TRP 159 Cb 0.58 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 29.09 1s50 h TRP 159 CO 0.02 0.84 0.51 0.00 -1.03 0.00 0.00 178.44 178.78 1s50 h ALA 160 N 1.12 1.06 0.21 2.65 0.00 -0.80 0.26 119.26 123.76 1s50 h ALA 160 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s50 h ALA 160 Cb 1.04 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s50 h ALA 160 CO 0.09 0.51 -0.10 0.35 0.00 0.00 0.00 179.25 180.10 1s50 h PHE 161 N 1.14 -0.26 -0.66 0.00 3.57 -1.06 -2.94 116.94 116.73 1s50 h PHE 161 Ca 0.30 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 1s50 h PHE 161 Cb -0.06 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1s50 h PHE 161 CO -0.00 -0.04 0.18 0.52 -2.23 0.00 0.00 178.31 176.73 1s50 h MET 162 N -0.44 1.04 -0.32 1.11 2.86 -0.93 -3.02 114.93 115.23 1s50 h MET 162 Ca -0.03 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1s50 h MET 162 Cb 0.34 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1s50 h MET 162 CO 0.05 0.93 0.10 1.03 1.06 0.00 0.00 176.91 180.08 1s50 h SER 163 N 0.97 0.10 1.04 1.22 0.87 -0.49 0.76 113.55 118.03 1s50 h SER 163 Ca 0.21 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1s50 h SER 163 Cb 0.34 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1s50 h SER 163 CO -0.00 0.09 0.00 0.77 -0.53 0.00 0.00 176.83 177.16 1s50 h SER 164 N 0.24 0.00 -0.08 6.23 4.64 -1.53 -3.03 113.55 120.02 1s50 h SER 164 Ca 0.14 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1s50 h SER 164 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1s50 h SER 164 CO -0.15 0.00 -0.24 0.54 -0.87 0.00 0.00 176.83 176.11 1s50 n ARG 165 N -2.38 1.65 -0.35 4.77 1.74 -0.81 -4.87 116.66 116.41 1s50 n ARG 165 Ca 0.03 -3.04 -0.06 0.00 -0.77 0.00 0.00 57.85 54.01 1s50 n ARG 165 Cb 0.31 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1s50 n ARG 165 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s50 h ARG 166 N 0.77 -0.06 0.00 5.56 3.08 -0.74 0.23 114.38 123.22 1s50 h ARG 166 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1s50 h ARG 166 Cb 1.15 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1s50 h ARG 166 CO 0.09 -0.04 -0.01 1.96 -1.07 0.00 0.00 179.97 180.89 1s50 h GLN 167 N -0.06 0.00 0.00 0.04 7.50 -1.87 -1.96 115.11 118.76 1s50 h GLN 167 Ca 0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.39 1s50 h GLN 167 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1s50 h GLN 167 CO -0.89 0.01 -0.92 -1.13 -1.50 0.00 0.00 178.83 174.40 1s50 n SER 168 N -3.22 1.23 0.00 1.46 3.41 -0.09 -4.75 113.62 111.66 1s50 n SER 168 Ca -0.02 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1s50 n SER 168 Cb 0.12 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 1s50 n SER 168 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1s50 n VAL 169 N -1.51 0.00 -3.23 -3.33 0.24 -0.27 -4.99 118.33 105.23 1s50 n VAL 169 Ca 0.00 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.34 61.82 1s50 n VAL 169 Cb 0.23 0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 33.10 1s50 n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1s50 s LEU 170 N -2.30 4.35 0.30 1.34 1.43 -0.74 -3.46 118.68 119.60 1s50 s LEU 170 Ca 0.00 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.22 1s50 s LEU 170 Cb 0.00 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1s50 s LEU 170 CO 0.00 0.04 0.07 0.68 0.23 0.00 0.00 176.35 177.37 1s50 s VAL 171 N 0.22 3.28 -0.24 -1.59 -7.23 -0.28 -4.80 120.40 109.76 1s50 s VAL 171 Ca 0.30 -1.80 0.28 0.00 -1.81 0.00 0.00 61.98 58.95 1s50 s VAL 171 Cb -0.17 -2.93 0.34 0.00 0.56 0.00 0.00 36.38 34.18 1s50 s VAL 171 CO 0.15 -0.28 1.81 0.07 -0.31 0.00 0.00 175.10 176.54 1s50 h LYS 172 N 1.72 0.00 -2.19 4.82 2.10 -1.93 0.24 116.57 121.33 1s50 h LYS 172 Ca -0.44 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.40 1s50 h LYS 172 Cb 1.25 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.48 1s50 h LYS 172 CO 0.62 0.00 0.54 -1.54 -2.00 0.00 0.00 179.45 177.07 1s50 s SER 173 N -5.48 -0.19 0.29 7.07 1.04 -1.26 -4.84 113.70 110.33 1s50 s SER 173 Ca 0.04 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 1s50 s SER 173 Cb 0.08 0.42 0.44 0.00 0.10 0.00 0.00 66.02 67.07 1s50 s SER 173 CO 0.56 -0.76 1.86 0.78 0.98 0.00 0.00 173.24 176.66 1s50 h ASN 174 N 2.00 0.77 -0.48 7.02 2.35 -1.95 -1.78 115.58 123.50 1s50 h ASN 174 Ca -0.24 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1s50 h ASN 174 Cb 1.23 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 1s50 h ASN 174 CO 0.27 0.71 0.27 -0.08 -1.65 0.00 0.00 177.43 176.95 1s50 h GLU 175 N 0.82 0.52 -0.62 0.81 4.81 -1.98 -0.63 114.58 118.31 1s50 h GLU 175 Ca 0.19 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1s50 h GLU 175 Cb 0.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1s50 h GLU 175 CO -0.01 0.34 0.14 1.49 -0.73 0.00 0.00 179.01 180.24 1s50 h GLU 176 N 0.53 0.98 -0.70 1.92 4.57 -1.83 -1.29 114.58 118.76 1s50 h GLU 176 Ca 0.20 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1s50 h GLU 176 Cb 0.05 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1s50 h GLU 176 CO -0.11 0.88 0.45 0.78 -1.18 0.00 0.00 179.01 179.83 1s50 h GLY 177 N 1.04 1.00 0.99 1.92 0.00 -0.52 0.08 103.07 107.57 1s50 h GLY 177 Ca 0.20 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1s50 h GLY 177 CO 0.00 0.32 0.28 -2.22 0.00 0.00 0.00 176.54 174.92 1s50 h ILE 178 N 0.90 1.20 -0.78 2.60 2.04 -0.66 -2.31 117.51 120.50 1s50 h ILE 178 Ca 0.27 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1s50 h ILE 178 Cb -0.04 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1s50 h ILE 178 CO -0.09 0.23 0.52 1.56 0.00 0.00 0.00 178.15 180.37 1s50 h GLN 179 N 0.77 1.01 -0.66 2.37 1.08 -0.31 -1.93 115.11 117.44 1s50 h GLN 179 Ca 0.20 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1s50 h GLN 179 Cb 0.10 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1s50 h GLN 179 CO -0.03 0.67 0.28 0.00 -0.95 0.00 0.00 178.83 178.80 1s50 h ARG 180 N 1.04 0.98 -0.27 1.46 2.47 -0.49 -0.20 114.38 119.36 1s50 h ARG 180 Ca 0.29 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1s50 h ARG 180 Cb -0.09 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.05 1s50 h ARG 180 CO -0.07 0.81 0.07 0.28 0.56 0.00 0.00 179.97 181.62 1s50 h VAL 181 N 0.93 1.13 0.00 2.04 2.07 -0.87 -1.43 116.25 120.12 1s50 h VAL 181 Ca 0.22 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1s50 h VAL 181 Cb 0.19 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1s50 h VAL 181 CO -0.02 0.16 -0.68 -0.07 0.02 0.00 0.00 177.57 176.98 1s50 h LEU 182 N 0.38 0.00 -2.63 2.57 3.38 -0.69 -3.38 115.31 114.95 1s50 h LEU 182 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1s50 h LEU 182 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s50 h LEU 182 CO -0.00 0.43 0.00 0.35 0.09 0.00 0.00 178.44 179.31 1s50 n THR 183 N -3.10 0.82 -3.83 0.22 -2.24 -0.15 -5.06 114.28 100.94 1s50 n THR 183 Ca -0.00 -0.91 -0.05 0.00 -2.27 0.00 0.00 64.05 60.81 1s50 n THR 183 Cb 0.72 0.62 0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1s50 n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s50 s SER 184 N -0.94 -0.07 -0.99 3.42 1.04 -0.57 -5.03 113.70 110.56 1s50 s SER 184 Ca 0.15 -0.75 -0.20 0.00 0.48 0.00 0.00 55.95 55.63 1s50 s SER 184 Cb 0.08 0.63 0.10 0.00 0.10 0.00 0.00 66.02 66.93 1s50 s SER 184 CO 0.11 -1.23 1.29 -0.62 0.98 0.00 0.00 173.24 173.77 1s50 s ASP 185 N -3.14 6.61 -0.05 7.02 -1.08 -1.26 -4.62 116.67 120.15 1s50 s ASP 185 Ca 0.16 -1.89 -0.05 0.00 -0.52 0.00 0.00 52.55 50.26 1s50 s ASP 185 Cb -0.03 -2.47 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 1s50 s ASP 185 CO 0.07 -1.22 0.14 -0.47 0.52 0.00 0.00 175.17 174.21 1s50 s TYR 186 N 3.56 -0.14 -0.10 -5.34 5.04 -1.26 -1.58 117.35 117.53 1s50 s TYR 186 Ca 0.39 0.34 0.03 0.00 -2.44 0.00 0.00 57.07 55.39 1s50 s TYR 186 Cb -0.02 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 1s50 s TYR 186 CO -0.08 -0.09 -0.19 0.00 -1.34 0.00 0.00 175.55 173.84 1s50 s ALA 187 N -0.03 2.38 -0.16 3.97 0.00 0.17 -4.37 121.76 123.72 1s50 s ALA 187 Ca -0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 1s50 s ALA 187 Cb -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1s50 s ALA 187 CO 0.00 0.33 0.03 0.12 0.00 0.00 0.00 175.76 176.24 1s50 s PHE 188 N 0.14 3.19 -0.42 0.00 5.36 0.03 -3.08 117.98 123.20 1s50 s PHE 188 Ca -0.10 -0.00 -0.24 0.00 -0.96 0.00 0.00 56.93 55.63 1s50 s PHE 188 Cb -0.16 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 1s50 s PHE 188 CO 0.06 0.15 0.81 -0.51 -1.46 0.00 0.00 175.22 174.27 1s50 s LEU 189 N 0.21 4.16 0.09 6.12 2.01 -0.28 0.01 118.68 131.01 1s50 s LEU 189 Ca 0.02 0.09 -0.05 0.00 0.01 0.00 0.00 54.13 54.20 1s50 s LEU 189 Cb -0.13 -3.03 -0.02 0.00 0.01 0.00 0.00 46.19 43.02 1s50 s LEU 189 CO 0.01 -0.88 0.12 0.00 1.01 0.00 0.00 176.35 176.61 1s50 s MET 190 N 3.32 0.82 0.26 1.70 0.23 -0.70 -4.53 119.30 120.40 1s50 s MET 190 Ca 0.32 -1.12 -0.30 0.00 -1.03 0.00 0.00 55.69 53.56 1s50 s MET 190 Cb -0.12 0.30 -0.10 0.00 -1.53 0.00 0.00 34.83 33.38 1s50 s MET 190 CO 0.21 -0.24 1.39 -1.21 -2.03 0.00 0.00 175.02 173.15 1s50 s GLU 191 N -3.91 4.30 0.34 3.16 2.02 -1.26 -1.38 118.70 121.97 1s50 s GLU 191 Ca 0.09 2.25 0.11 0.00 0.02 0.00 0.00 54.97 57.45 1s50 s GLU 191 Cb 0.06 -3.11 0.90 0.00 0.10 0.00 0.00 34.13 32.08 1s50 s GLU 191 CO -0.08 -0.35 1.77 0.66 0.02 0.00 0.00 175.26 177.28 1s50 h SER 192 N 4.69 0.64 -0.66 -0.19 4.64 -0.72 -0.47 113.55 121.48 1s50 h SER 192 Ca -0.46 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 1s50 h SER 192 Cb 1.22 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1s50 h SER 192 CO 0.75 0.17 0.34 0.71 -0.87 0.00 0.00 176.83 177.93 1s50 h THR 193 N 0.59 1.22 -0.05 2.95 1.35 -1.88 0.47 112.91 117.56 1s50 h THR 193 Ca 0.59 -0.58 -0.17 0.00 -0.55 0.00 0.00 66.41 65.70 1s50 h THR 193 Cb 1.17 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1s50 h THR 193 CO -0.37 0.24 -0.72 0.74 -0.25 0.00 0.00 175.52 175.17 1s50 h THR 194 N 0.91 1.41 -0.60 6.82 2.02 -1.57 -2.79 112.91 119.11 1s50 h THR 194 Ca 0.23 -2.21 -0.06 0.00 0.77 0.00 0.00 66.41 65.14 1s50 h THR 194 Cb 0.08 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1s50 h THR 194 CO -0.03 0.65 0.14 0.40 0.37 0.00 0.00 175.52 177.05 1s50 h ILE 195 N 0.19 1.25 -0.75 3.11 2.04 -0.72 -1.05 117.51 121.59 1s50 h ILE 195 Ca -0.02 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1s50 h ILE 195 Cb 1.28 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 1s50 h ILE 195 CO 0.12 0.34 0.44 -0.08 0.00 0.00 0.00 178.15 178.97 1s50 h GLU 196 N 0.86 0.79 -0.18 2.37 4.81 -0.77 0.76 114.58 123.23 1s50 h GLU 196 Ca 0.19 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1s50 h GLU 196 Cb 0.35 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1s50 h GLU 196 CO 0.00 0.52 -0.00 0.35 -0.73 0.00 0.00 179.01 179.16 1s50 h PHE 197 N 0.82 0.35 -0.09 0.92 3.57 -1.20 -2.86 116.94 118.45 1s50 h PHE 197 Ca 0.33 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1s50 h PHE 197 Cb 0.17 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1s50 h PHE 197 CO -0.06 0.52 0.05 0.28 -2.23 0.00 0.00 178.31 176.87 1s50 h VAL 198 N 0.07 1.11 0.00 1.41 2.07 -0.66 -3.08 116.25 117.17 1s50 h VAL 198 Ca 0.05 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1s50 h VAL 198 Cb 0.39 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1s50 h VAL 198 CO 0.01 0.09 -0.03 0.71 0.02 0.00 0.00 177.57 178.37 1s50 h THR 199 N 0.03 0.10 -0.00 2.57 1.35 -0.91 0.35 112.91 116.40 1s50 h THR 199 Ca 0.03 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1s50 h THR 199 Cb 0.11 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1s50 h THR 199 CO -0.00 0.03 -0.16 0.00 -0.25 0.00 0.00 175.52 175.14 1s50 n GLN 200 N -3.16 0.36 -0.02 4.72 1.13 -1.08 -3.93 117.38 115.41 1s50 n GLN 200 Ca -0.00 -0.12 -0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1s50 n GLN 200 Cb 0.28 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.08 1s50 n GLN 200 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1s50 n ARG 201 N -1.22 1.77 -3.99 -1.09 1.74 -0.66 -3.89 116.66 109.33 1s50 n ARG 201 Ca 0.11 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 1s50 n ARG 201 Cb 0.30 -1.15 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 1s50 n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s50 s ASN 202 N -3.26 4.58 0.00 0.55 3.84 0.02 -4.97 114.94 115.70 1s50 s ASN 202 Ca -0.03 -1.93 0.19 0.00 0.21 0.00 0.00 52.86 51.30 1s50 s ASN 202 Cb 0.03 -1.50 1.11 0.00 -0.55 0.00 0.00 41.25 40.34 1s50 s ASN 202 CO 0.25 -0.35 1.54 0.00 -2.79 0.00 0.00 177.10 175.74 1s50 h ASN 204 N 0.00 0.00 -2.34 0.00 2.35 -1.93 -3.47 115.58 110.19 1s50 h ASN 204 Ca 0.00 -0.13 -0.52 0.00 -0.55 0.00 0.00 56.30 55.10 1s50 h ASN 204 Cb 0.03 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1s50 h ASN 204 CO 0.00 0.07 -0.52 -0.76 -1.65 0.00 0.00 177.43 174.57 1s50 s LEU 205 N -4.59 3.90 0.17 1.61 1.02 -0.89 -2.89 118.68 117.01 1s50 s LEU 205 Ca 0.06 -0.16 -0.18 0.00 0.02 0.00 0.00 54.13 53.87 1s50 s LEU 205 Cb 0.12 -2.46 0.04 0.00 0.02 0.00 0.00 46.19 43.91 1s50 s LEU 205 CO 0.70 -0.01 0.51 0.28 0.02 0.00 0.00 176.35 177.85 1s50 s THR 206 N -2.00 0.03 0.11 5.49 -1.32 -0.04 -4.81 115.64 113.10 1s50 s THR 206 Ca 0.33 -0.56 -0.19 0.00 -1.21 0.00 0.00 61.69 60.06 1s50 s THR 206 Cb -0.09 -1.34 -0.07 0.00 -1.51 0.00 0.00 72.50 69.49 1s50 s THR 206 CO 0.25 -0.15 0.59 -1.58 -2.21 0.00 0.00 174.62 171.52 1s50 s GLN 207 N -3.83 4.18 -0.21 7.08 0.74 -1.26 -1.48 119.66 124.88 1s50 s GLN 207 Ca 0.06 0.73 -0.05 0.00 0.05 0.00 0.00 55.36 56.14 1s50 s GLN 207 Cb -0.00 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 1s50 s GLN 207 CO -0.08 0.58 0.00 0.42 -0.55 0.00 0.00 175.29 175.67 1s50 s ILE 208 N -1.22 3.89 0.00 -2.34 -1.09 0.68 -4.94 121.20 116.18 1s50 s ILE 208 Ca 0.32 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1s50 s ILE 208 Cb -0.19 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1s50 s ILE 208 CO 0.20 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 1s50 n GLY 209 N 4.47 -1.29 0.00 6.18 0.00 -1.21 -3.72 105.19 109.62 1s50 n GLY 209 Ca -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1s50 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s50 n GLY 210 N 0.00 3.38 3.72 -0.02 0.00 -1.26 -4.88 105.19 106.14 1s50 n GLY 210 Ca 0.00 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1s50 n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s50 s LEU 211 N 0.00 4.44 0.33 0.99 1.02 -1.26 -4.55 118.68 119.64 1s50 s LEU 211 Ca 0.00 1.67 0.20 0.00 0.02 0.00 0.00 54.13 56.02 1s50 s LEU 211 Cb 0.00 -3.50 0.17 0.00 0.02 0.00 0.00 46.19 42.88 1s50 s LEU 211 CO 0.00 -0.12 1.41 0.40 0.02 0.00 0.00 176.35 178.06 1s50 h ILE 212 N 4.34 0.25 -1.77 -0.59 2.04 -0.57 -3.48 117.51 117.72 1s50 h ILE 212 Ca -0.42 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1s50 h ILE 212 Cb 1.21 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1s50 h ILE 212 CO 0.73 0.14 0.00 -0.90 0.00 0.00 0.00 178.15 178.12 1s50 n ASP 213 N -3.04 0.00 -3.71 1.72 5.75 -1.26 -4.94 116.55 111.07 1s50 n ASP 213 Ca 0.02 -0.77 -0.12 0.00 -0.01 0.00 0.00 54.79 53.91 1s50 n ASP 213 Cb 0.61 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.57 1s50 n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1s50 s SER 214 N -0.36 -0.24 0.39 -1.12 0.15 -1.26 -4.27 113.70 106.99 1s50 s SER 214 Ca 0.00 0.64 -0.11 0.00 0.70 0.00 0.00 55.95 57.19 1s50 s SER 214 Cb 0.00 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 1s50 s SER 214 CO 0.00 -0.19 0.70 -1.59 1.20 0.00 0.00 173.24 173.37 1s50 s LYS 215 N 1.50 2.20 0.13 5.44 -2.85 -0.24 -5.00 119.74 120.92 1s50 s LYS 215 Ca -0.08 -1.60 0.01 0.00 -1.00 0.00 0.00 55.97 53.30 1s50 s LYS 215 Cb -0.10 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1s50 s LYS 215 CO -0.10 -1.00 -0.00 0.20 0.10 0.00 0.00 175.35 174.55 1s50 s GLY 216 N -3.14 0.96 -0.08 0.59 0.00 -1.26 -0.37 107.32 104.02 1s50 s GLY 216 Ca 0.21 -1.46 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 1s50 s GLY 216 CO 0.15 -1.44 0.27 -0.19 0.00 0.00 0.00 173.10 171.90 1s50 s TYR 217 N -3.80 3.63 0.10 1.90 4.12 0.03 -0.89 117.35 122.45 1s50 s TYR 217 Ca 0.19 0.73 -0.00 0.00 0.02 0.00 0.00 57.07 58.01 1s50 s TYR 217 Cb 0.07 -2.14 -0.04 0.00 -1.52 0.00 0.00 41.96 38.32 1s50 s TYR 217 CO -0.00 0.63 0.00 0.20 0.02 0.00 0.00 175.55 176.39 1s50 s GLY 218 N -0.83 0.79 0.00 0.71 0.00 -0.68 -1.08 107.32 106.23 1s50 s GLY 218 Ca 0.19 -1.37 -0.28 0.00 0.00 0.00 0.00 44.72 43.26 1s50 s GLY 218 CO 0.08 -1.38 0.89 0.14 0.00 0.00 0.00 173.10 172.83 1s50 s VAL 219 N -3.90 4.85 0.04 1.40 1.01 -1.26 -4.43 120.40 118.11 1s50 s VAL 219 Ca 0.16 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.98 1s50 s VAL 219 Cb 0.07 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1s50 s VAL 219 CO -0.03 0.22 0.26 -0.83 0.00 0.00 0.00 175.10 174.72 1s50 s GLY 220 N 0.72 2.22 0.06 4.51 0.00 -0.61 -1.00 107.32 113.22 1s50 s GLY 220 Ca 0.47 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 1s50 s GLY 220 CO 0.26 -0.54 0.01 -0.51 0.00 0.00 0.00 173.10 172.32 1s50 s THR 221 N -1.42 0.20 0.59 0.90 -4.23 -0.26 -0.60 115.64 110.83 1s50 s THR 221 Ca 0.32 -1.65 -0.20 0.00 -1.18 0.00 0.00 61.69 58.98 1s50 s THR 221 Cb -0.13 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 1s50 s THR 221 CO 0.21 -0.91 1.28 -2.84 -0.54 0.00 0.00 174.62 171.81 1s50 s PRO 222 N -3.79 2.93 0.20 3.99 0.02 -1.26 -1.50 135.00 135.60 1s50 s PRO 222 Ca 0.05 2.02 -0.33 0.00 0.02 0.00 0.00 61.00 62.77 1s50 s PRO 222 Cb 0.07 -2.03 -0.13 0.00 0.02 0.00 0.00 34.50 32.43 1s50 s PRO 222 CO -0.10 -1.29 1.55 -0.12 -0.33 0.00 0.00 177.00 176.71 1s50 n MET 223 N -1.46 2.22 -0.55 5.54 1.56 -1.26 -1.75 117.12 121.43 1s50 n MET 223 Ca 0.13 0.80 0.00 0.00 -0.27 0.00 0.00 57.70 58.36 1s50 n MET 223 Cb 0.48 -2.55 0.00 0.00 2.15 0.00 0.00 33.22 33.30 1s50 n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1s50 n GLY 224 N 3.04 0.76 3.76 -5.12 0.00 -1.26 -4.99 105.19 101.38 1s50 n GLY 224 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1s50 n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s50 s SER 225 N -2.76 6.74 0.43 1.61 0.15 -0.71 -4.92 113.70 114.24 1s50 s SER 225 Ca 0.00 2.65 0.28 0.00 0.70 0.00 0.00 55.95 59.58 1s50 s SER 225 Cb 0.00 -2.64 0.93 0.00 -1.71 0.00 0.00 66.02 62.60 1s50 s SER 225 CO 0.00 -0.59 1.80 1.55 1.20 0.00 0.00 173.24 177.20 1s50 h PRO 226 N 4.19 0.00 0.00 5.44 0.13 -1.96 -3.16 132.00 136.64 1s50 h PRO 226 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1s50 h PRO 226 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1s50 h PRO 226 CO 0.71 0.00 -0.38 1.88 -0.23 0.00 0.00 178.00 179.98 1s50 h TYR 227 N 0.00 0.00 -0.17 1.56 -1.99 -1.97 -3.35 116.97 111.05 1s50 h TYR 227 Ca 0.00 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 1s50 h TYR 227 Cb 0.67 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.33 1s50 h TYR 227 CO 0.00 0.38 -0.27 -0.09 -0.00 0.00 0.00 178.16 178.18 1s50 h ARG 228 N 0.00 -0.31 -0.31 4.88 1.12 -1.94 0.22 114.38 118.04 1s50 h ARG 228 Ca -0.00 0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.79 1s50 h ARG 228 Cb 1.04 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.05 1s50 h ARG 228 CO 0.05 -0.20 -0.20 -0.44 -3.11 0.00 0.00 179.97 176.06 1s50 h ASP 229 N -0.32 0.58 -0.47 -3.80 3.32 -1.81 -1.35 116.42 112.58 1s50 h ASP 229 Ca 0.11 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1s50 h ASP 229 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1s50 h ASP 229 CO -0.35 0.79 -0.00 0.11 -1.72 0.00 0.00 179.24 178.07 1s50 h LYS 230 N 0.52 0.89 -0.37 3.56 1.57 -1.54 -2.35 116.57 118.85 1s50 h LYS 230 Ca 0.08 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.45 1s50 h LYS 230 Cb 0.64 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1s50 h LYS 230 CO 0.05 0.89 -0.38 0.82 -0.57 0.00 0.00 179.45 180.25 1s50 h ILE 231 N 0.82 1.28 -0.44 1.86 2.04 -0.23 -2.29 117.51 120.55 1s50 h ILE 231 Ca 0.15 -1.56 0.05 0.00 1.00 0.00 0.00 64.86 64.51 1s50 h ILE 231 Cb 0.49 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1s50 h ILE 231 CO 0.02 0.52 0.17 0.74 0.00 0.00 0.00 178.15 179.60 1s50 h THR 232 N 0.72 0.88 -0.68 -0.27 2.02 -0.99 0.80 112.91 115.40 1s50 h THR 232 Ca 0.06 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1s50 h THR 232 Cb 0.97 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1s50 h THR 232 CO 0.09 0.06 0.40 0.40 0.37 0.00 0.00 175.52 176.84 1s50 h ILE 233 N 0.35 1.20 -0.84 3.11 2.04 -1.32 -0.99 117.51 121.06 1s50 h ILE 233 Ca 0.20 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1s50 h ILE 233 Cb 0.18 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1s50 h ILE 233 CO -0.19 0.21 0.49 0.00 0.00 0.00 0.00 178.15 178.66 1s50 h ALA 234 N 1.20 1.07 -0.37 1.87 0.00 -0.76 -1.01 119.26 121.27 1s50 h ALA 234 Ca 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1s50 h ALA 234 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1s50 h ALA 234 CO -0.04 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.58 1s50 h ILE 235 N 1.15 1.26 -0.87 0.00 2.04 -0.36 -0.77 117.51 119.97 1s50 h ILE 235 Ca 0.30 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1s50 h ILE 235 Cb -0.02 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1s50 h ILE 235 CO -0.05 0.33 0.54 -0.07 0.00 0.00 0.00 178.15 178.89 1s50 h LEU 236 N 0.47 1.02 0.17 1.44 3.38 -0.90 0.88 115.31 121.77 1s50 h LEU 236 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1s50 h LEU 236 Cb 0.45 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s50 h LEU 236 CO 0.02 0.77 -0.08 -0.61 0.09 0.00 0.00 178.44 178.63 1s50 h GLN 237 N 1.19 -0.22 -0.70 1.13 5.75 -0.89 0.11 115.11 121.48 1s50 h GLN 237 Ca 0.31 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.90 1s50 h GLN 237 Cb -0.08 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1s50 h GLN 237 CO -0.06 -0.04 0.46 -0.07 -2.65 0.00 0.00 178.83 176.47 1s50 h LEU 238 N -0.36 0.62 0.21 -2.39 3.38 -0.75 -1.81 115.31 114.20 1s50 h LEU 238 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1s50 h LEU 238 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1s50 h LEU 238 CO 0.04 0.39 -0.10 -0.61 0.09 0.00 0.00 178.44 178.25 1s50 h GLN 239 N 0.70 -0.27 -0.52 1.13 4.15 -0.50 -0.87 115.11 118.93 1s50 h GLN 239 Ca 0.31 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.84 1s50 h GLN 239 Cb 0.30 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.97 1s50 h GLN 239 CO -0.10 0.08 0.02 0.93 -1.93 0.00 0.00 178.83 177.82 1s50 h GLU 240 N -0.68 0.13 0.00 1.69 4.39 -0.48 -1.40 114.58 118.22 1s50 h GLU 240 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1s50 h GLU 240 Cb 0.48 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1s50 h GLU 240 CO 0.05 0.09 0.00 -0.85 -1.16 0.00 0.00 179.01 177.13 1s50 n GLU 241 N -5.22 0.98 -0.72 2.33 0.28 -0.73 -4.90 120.64 112.67 1s50 n GLU 241 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1s50 n GLU 241 Cb 0.28 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.68 1s50 n GLU 241 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s50 n GLY 242 N 0.93 0.72 0.26 -1.84 0.00 -0.53 -4.96 105.19 99.77 1s50 n GLY 242 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1s50 n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s50 h LYS 243 N 2.48 0.76 -0.79 1.61 1.57 -1.38 -1.74 116.57 119.09 1s50 h LYS 243 Ca 0.00 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1s50 h LYS 243 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1s50 h LYS 243 CO 0.00 0.96 0.38 -0.07 -0.57 0.00 0.00 179.45 180.15 1s50 h LEU 244 N 0.65 1.03 -0.31 2.94 3.38 -1.77 0.56 115.31 121.78 1s50 h LEU 244 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1s50 h LEU 244 Cb 0.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1s50 h LEU 244 CO 0.07 0.87 0.17 -0.74 0.09 0.00 0.00 178.44 178.90 1s50 h HIS 245 N 1.11 0.42 -0.54 1.13 2.76 -1.80 -1.01 115.15 117.22 1s50 h HIS 245 Ca 0.27 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1s50 h HIS 245 Cb 0.12 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1s50 h HIS 245 CO 0.01 0.34 0.10 0.52 -1.30 0.00 0.00 177.93 177.60 1s50 h MET 246 N 0.38 0.85 -0.69 5.26 2.86 -0.88 -1.69 114.93 121.03 1s50 h MET 246 Ca 0.11 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1s50 h MET 246 Cb 0.06 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1s50 h MET 246 CO -0.02 0.79 0.15 0.52 1.06 0.00 0.00 176.91 179.42 1s50 h MET 247 N 0.81 1.11 -0.17 1.72 2.07 -0.53 -0.01 114.93 119.92 1s50 h MET 247 Ca 0.17 -0.27 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 1s50 h MET 247 Cb 0.35 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 1s50 h MET 247 CO 0.00 0.99 0.05 -0.22 1.07 0.00 0.00 176.91 178.80 1s50 h LYS 248 N 1.05 0.28 -0.85 1.72 1.63 -0.87 -2.38 116.57 117.14 1s50 h LYS 248 Ca 0.22 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1s50 h LYS 248 Cb 0.39 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 1s50 h LYS 248 CO 0.00 0.41 0.53 1.49 -3.45 0.00 0.00 179.45 178.43 1s50 h GLU 249 N 0.10 1.15 -0.29 1.90 4.81 -1.06 -0.11 114.58 121.07 1s50 h GLU 249 Ca 0.06 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1s50 h GLU 249 Cb 0.25 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1s50 h GLU 249 CO -0.00 0.79 0.14 -0.22 -0.73 0.00 0.00 179.01 178.99 1s50 h LYS 250 N 1.17 0.28 0.00 1.92 3.64 -0.84 -2.37 116.57 120.38 1s50 h LYS 250 Ca 0.31 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1s50 h LYS 250 Cb -0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1s50 h LYS 250 CO -0.06 0.19 -0.73 -1.49 -2.27 0.00 0.00 179.45 175.09 1s50 h TRP 251 N 0.29 0.00 -0.09 1.91 4.06 -1.23 -3.29 115.95 117.60 1s50 h TRP 251 Ca 0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1s50 h TRP 251 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1s50 h TRP 251 CO -0.10 0.00 0.00 0.91 -3.56 0.00 0.00 178.44 175.69 1s50 n TRP 252 N -2.69 0.10 -1.45 0.49 8.01 -0.07 -4.86 117.44 116.97 1s50 n TRP 252 Ca 0.01 -0.05 -0.20 0.00 -1.31 0.00 0.00 57.50 55.96 1s50 n TRP 252 Cb 0.53 0.00 -0.21 0.00 -2.01 0.00 0.00 31.31 29.62 1s50 n TRP 252 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1s50 n ARG 253 N 0.73 0.00 -3.02 -0.99 1.74 -0.89 -4.71 116.66 109.52 1s50 n ARG 253 Ca 0.17 -0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 1s50 n ARG 253 Cb 0.46 -1.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1s50 n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s50 n GLY 254 N 5.41 4.84 2.83 -0.13 0.00 -1.26 -4.97 105.19 111.91 1s50 n GLY 254 Ca 0.62 -2.37 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1s50 n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s50 n ASN 255 N -0.06 3.00 -3.75 1.61 5.15 -1.26 -4.70 115.26 115.25 1s50 n ASN 255 Ca 0.29 -2.28 -0.09 0.00 -0.60 0.00 0.00 54.58 51.90 1s50 n ASN 255 Cb 0.50 -0.89 -0.04 0.00 -0.53 0.00 0.00 39.78 38.82 1s50 n ASN 255 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1s50 s GLY 256 N 4.24 -0.06 0.12 8.20 0.00 -1.25 -5.12 107.32 113.45 1s50 s GLY 256 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1s50 s GLY 256 CO 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 173.10 172.84 1s50 s PRO 258 N -1.39 2.39 0.00 0.00 0.02 -1.26 -4.95 135.00 129.81 1s50 s PRO 258 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1s50 s PRO 258 Cb 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1s50 s PRO 258 CO 0.00 -1.63 0.09 -1.91 -0.33 0.00 0.00 177.00 173.23