#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wma s GLY 3 N 0.00 1.65 0.34 5.00 0.00 -1.26 -4.92 107.32 108.13 1wma s GLY 3 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.78 1wma s GLY 3 CO 0.00 0.81 1.45 4.51 0.00 0.00 0.00 173.10 179.87 1wma n ILE 4 N -4.22 1.72 -2.39 0.90 3.06 -1.26 -4.98 119.36 112.19 1wma n ILE 4 Ca 0.09 -0.43 -0.31 0.00 -2.50 0.00 0.00 62.75 59.60 1wma n ILE 4 Cb 0.53 -1.82 -0.02 0.00 0.54 0.00 0.00 39.64 38.87 1wma n ILE 4 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1wma s HIS 5 N -0.80 3.51 -0.04 9.51 3.76 -1.26 -4.94 115.29 125.04 1wma s HIS 5 Ca 0.57 1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 56.73 1wma s HIS 5 Cb -0.52 -2.65 0.02 0.00 1.11 0.00 0.00 32.58 30.53 1wma s HIS 5 CO 0.59 -0.38 0.08 0.54 -0.85 0.00 0.00 174.74 174.73 1wma s VAL 6 N -2.71 -0.02 0.11 -0.90 0.11 -1.26 -0.68 120.40 115.04 1wma s VAL 6 Ca 0.55 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.77 1wma s VAL 6 Cb -0.10 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1wma s VAL 6 CO 0.38 0.03 -0.23 0.00 -3.33 0.00 0.00 175.10 171.95 1wma s ALA 7 N 0.43 2.49 -0.03 1.54 0.00 -0.17 -1.08 121.76 124.94 1wma s ALA 7 Ca -0.03 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 1wma s ALA 7 Cb -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1wma s ALA 7 CO -0.02 0.56 0.08 -1.17 0.00 0.00 0.00 175.76 175.22 1wma s LEU 8 N -1.94 1.71 -0.10 0.00 0.20 0.04 -0.23 118.68 118.36 1wma s LEU 8 Ca 0.15 0.10 0.04 0.00 0.69 0.00 0.00 54.13 55.11 1wma s LEU 8 Cb -0.10 0.30 0.00 0.00 -0.43 0.00 0.00 46.19 45.96 1wma s LEU 8 CO 0.07 -0.07 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.15 1wma s VAL 9 N -0.15 1.90 0.26 1.68 1.01 -0.92 -0.82 120.40 123.36 1wma s VAL 9 Ca -0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1wma s VAL 9 Cb -0.02 -1.65 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 1wma s VAL 9 CO 0.00 0.52 0.66 0.42 0.00 0.00 0.00 175.10 176.71 1wma s THR 10 N 0.42 4.75 -1.19 3.92 -4.23 -0.55 -2.32 115.64 116.43 1wma s THR 10 Ca -0.18 0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 1wma s THR 10 Cb -0.18 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 1wma s THR 10 CO 0.08 -0.04 0.93 0.61 -0.54 0.00 0.00 174.62 175.66 1wma n GLY 11 N 0.02 -0.52 0.79 3.99 0.00 -1.24 -2.91 105.19 105.31 1wma n GLY 11 Ca 0.01 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1wma n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wma n GLY 12 N -1.23 0.64 0.18 -0.02 0.00 -0.12 -4.03 105.19 100.60 1wma n GLY 12 Ca -0.24 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1wma n GLY 12 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1wma h ASN 13 N 3.87 0.00 -5.16 1.61 -1.07 -1.90 -3.13 115.58 109.80 1wma h ASN 13 Ca 0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 56.30 56.28 1wma h ASN 13 Cb 0.85 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.06 1wma h ASN 13 CO 0.00 0.00 0.12 -1.59 0.07 0.00 0.00 177.43 176.03 1wma s LYS 14 N -3.19 2.06 4.13 4.14 -2.85 -1.26 -4.73 119.74 118.03 1wma s LYS 14 Ca 0.07 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 1wma s LYS 14 Cb 0.07 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.41 1wma s LYS 14 CO 0.66 -0.93 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1wma n GLY 15 N -0.52 1.09 0.34 0.59 0.00 -1.26 -2.55 105.19 102.87 1wma n GLY 15 Ca -0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1wma n GLY 15 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wma h ILE 16 N 0.00 1.19 -0.65 -0.61 2.04 -1.90 -2.88 117.51 114.70 1wma h ILE 16 Ca 0.00 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.52 1wma h ILE 16 Cb 0.00 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 35.96 1wma h ILE 16 CO 0.00 0.21 0.36 1.23 0.00 0.00 0.00 178.15 179.95 1wma h GLY 17 N 1.16 0.95 0.94 5.37 0.00 -1.68 0.21 103.07 110.02 1wma h GLY 17 Ca 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1wma h GLY 17 CO -0.09 0.15 0.26 -2.00 0.00 0.00 0.00 176.54 174.86 1wma h LEU 18 N 0.66 0.44 -1.15 3.11 5.85 -1.31 -0.71 115.31 122.20 1wma h LEU 18 Ca 0.29 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1wma h LEU 18 Cb 0.18 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1wma h LEU 18 CO -0.18 0.31 0.11 0.00 -0.34 0.00 0.00 178.44 178.35 1wma h ALA 19 N 1.18 1.31 -0.29 1.25 0.00 -1.15 -0.69 119.26 120.87 1wma h ALA 19 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wma h ALA 19 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wma h ALA 19 CO -0.06 0.49 0.11 0.82 0.00 0.00 0.00 179.25 180.60 1wma h ILE 20 N 0.69 1.18 -0.45 0.00 2.04 -0.61 -1.89 117.51 118.47 1wma h ILE 20 Ca 0.16 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1wma h ILE 20 Cb 0.26 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1wma h ILE 20 CO -0.00 0.19 0.21 0.58 0.00 0.00 0.00 178.15 179.13 1wma h VAL 21 N 0.32 0.93 -0.59 1.67 2.07 -0.58 0.02 116.25 120.09 1wma h VAL 21 Ca 0.10 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1wma h VAL 21 Cb 0.20 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1wma h VAL 21 CO -0.01 0.08 0.36 -0.09 0.02 0.00 0.00 177.57 177.93 1wma h ARG 22 N 0.41 0.70 -0.47 1.57 2.43 -0.96 0.75 114.38 118.82 1wma h ARG 22 Ca 0.20 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1wma h ARG 22 Cb 0.14 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1wma h ARG 22 CO -0.16 0.46 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.08 1wma h ASP 23 N 0.72 1.03 -0.26 -3.80 3.45 -0.92 -2.76 116.42 113.88 1wma h ASP 23 Ca 0.23 -0.40 -0.05 0.00 0.43 0.00 0.00 57.03 57.24 1wma h ASP 23 Cb -0.00 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.46 1wma h ASP 23 CO -0.09 1.21 0.03 -0.07 -1.57 0.00 0.00 179.24 178.75 1wma h LEU 24 N 0.85 0.51 -1.19 1.55 3.38 -0.59 0.40 115.31 120.21 1wma h LEU 24 Ca 0.10 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1wma h LEU 24 Cb 0.83 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1wma h LEU 24 CO 0.07 0.56 0.57 0.00 0.09 0.00 0.00 178.44 179.73 1wma h ARG 26 N 0.94 0.01 0.00 0.00 3.08 -1.21 -3.41 114.38 113.79 1wma h ARG 26 Ca 0.39 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1wma h ARG 26 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1wma h ARG 26 CO -0.15 0.77 -1.32 1.28 -1.07 0.00 0.00 179.97 179.48 1wma n LEU 27 N -3.21 0.09 -4.71 3.04 4.77 0.07 -4.96 117.00 112.08 1wma n LEU 27 Ca -0.08 -0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.43 1wma n LEU 27 Cb 0.99 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 1wma n LEU 27 CO 0.46 0.02 0.20 0.12 -1.33 0.00 0.00 177.39 176.86 1wma s PHE 28 N -2.62 3.48 -1.09 -1.77 2.19 0.53 -5.01 117.98 113.70 1wma s PHE 28 Ca -0.03 0.88 -0.20 0.00 0.33 0.00 0.00 56.93 57.91 1wma s PHE 28 Cb 0.07 -2.59 0.09 0.00 -1.31 0.00 0.00 43.02 39.28 1wma s PHE 28 CO 0.45 0.10 1.44 -1.12 1.83 0.00 0.00 175.22 177.92 1wma s SER 29 N 0.76 6.67 0.00 6.13 0.01 -1.26 -4.81 113.70 121.20 1wma s SER 29 Ca 0.26 -2.00 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1wma s SER 29 Cb -0.15 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1wma s SER 29 CO 0.10 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1wma n GLY 30 N 5.91 -0.12 3.81 3.44 0.00 -1.26 -4.42 105.19 112.54 1wma n GLY 30 Ca 0.35 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1wma n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wma s ASP 31 N -4.00 6.52 -0.12 1.61 -0.00 0.14 -4.93 116.67 115.89 1wma s ASP 31 Ca 0.00 1.81 0.01 0.00 -0.00 0.00 0.00 52.55 54.37 1wma s ASP 31 Cb 0.00 -2.55 0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1wma s ASP 31 CO 0.00 -0.66 -0.15 -0.69 -0.00 0.00 0.00 175.17 173.68 1wma s VAL 32 N -2.15 1.52 -0.36 -1.27 1.01 -1.26 -1.00 120.40 116.89 1wma s VAL 32 Ca 0.64 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1wma s VAL 32 Cb -0.13 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1wma s VAL 32 CO 0.20 0.45 0.20 -0.69 0.00 0.00 0.00 175.10 175.26 1wma s VAL 33 N 1.14 4.62 -0.06 2.92 1.01 0.69 -0.32 120.40 130.39 1wma s VAL 33 Ca -0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1wma s VAL 33 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1wma s VAL 33 CO -0.04 -0.19 1.18 -0.22 0.00 0.00 0.00 175.10 175.83 1wma s LEU 34 N 1.57 4.27 0.20 3.92 0.20 -0.07 -2.17 118.68 126.60 1wma s LEU 34 Ca 0.03 1.78 0.10 0.00 0.69 0.00 0.00 54.13 56.73 1wma s LEU 34 Cb -0.19 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 41.97 1wma s LEU 34 CO 0.07 -0.57 -0.16 0.42 -0.29 0.00 0.00 176.35 175.82 1wma s THR 35 N 2.23 2.80 -0.08 3.68 -4.23 -0.98 -1.88 115.64 117.18 1wma s THR 35 Ca 0.55 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.90 1wma s THR 35 Cb -0.24 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1wma s THR 35 CO 0.21 -0.16 0.59 0.00 -0.54 0.00 0.00 174.62 174.72 1wma s ALA 36 N -1.81 -1.51 0.18 3.99 0.00 -1.20 -0.95 121.76 120.45 1wma s ALA 36 Ca 0.24 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.40 1wma s ALA 36 Cb -0.08 -0.17 0.07 0.00 0.00 0.00 0.00 23.12 22.94 1wma s ALA 36 CO 0.13 -0.33 1.43 0.07 0.00 0.00 0.00 175.76 177.06 1wma h ARG 37 N 3.58 0.27 -4.87 0.00 0.11 -1.73 -0.28 114.38 111.46 1wma h ARG 37 Ca -0.28 -0.25 -0.68 0.00 0.10 0.00 0.00 59.98 58.87 1wma h ARG 37 Cb 1.15 0.06 -0.18 0.00 1.11 0.00 0.00 29.97 32.11 1wma h ARG 37 CO 0.34 0.92 -0.26 0.34 0.10 0.00 0.00 179.97 181.42 1wma s ASP 38 N -6.94 6.18 0.35 0.08 3.68 -1.26 -4.73 116.67 114.03 1wma s ASP 38 Ca -0.04 -0.51 0.04 0.00 2.13 0.00 0.00 52.55 54.17 1wma s ASP 38 Cb 0.11 -2.21 0.66 0.00 -1.45 0.00 0.00 42.92 40.03 1wma s ASP 38 CO 0.83 -0.47 1.94 0.58 0.13 0.00 0.00 175.17 178.18 1wma h VAL 39 N 5.64 1.17 -0.10 1.11 2.07 -1.99 -0.33 116.25 123.82 1wma h VAL 39 Ca -0.28 -0.55 -0.21 0.00 0.82 0.00 0.00 66.70 66.48 1wma h VAL 39 Cb 1.12 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1wma h VAL 39 CO 0.75 0.21 -0.80 0.71 0.02 0.00 0.00 177.57 178.46 1wma h THR 40 N 0.60 1.32 -0.38 2.57 1.35 -1.97 -0.95 112.91 115.45 1wma h THR 40 Ca 0.14 -2.09 -0.09 0.00 -0.55 0.00 0.00 66.41 63.82 1wma h THR 40 Cb 0.15 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1wma h THR 40 CO -0.01 0.65 -0.14 0.03 -0.25 0.00 0.00 175.52 175.80 1wma h ARG 41 N 0.41 0.69 -0.22 4.72 3.08 -1.89 -0.73 114.38 120.45 1wma h ARG 41 Ca -0.05 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1wma h ARG 41 Cb 1.41 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 1wma h ARG 41 CO 0.15 0.81 0.03 0.78 -1.07 0.00 0.00 179.97 180.67 1wma h GLY 42 N 0.97 0.39 1.40 0.04 0.00 -1.00 -1.48 103.07 103.39 1wma h GLY 42 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1wma h GLY 42 CO 0.04 0.24 0.10 1.46 0.00 0.00 0.00 176.54 178.39 1wma h GLN 43 N 0.16 0.75 -0.72 4.80 1.08 -1.07 -1.61 115.11 118.50 1wma h GLN 43 Ca 0.07 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1wma h GLN 43 Cb 0.33 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1wma h GLN 43 CO 0.00 0.69 0.25 0.00 -0.95 0.00 0.00 178.83 178.83 1wma h ALA 44 N 1.39 1.08 -0.50 3.87 0.00 -0.98 -0.60 119.26 123.51 1wma h ALA 44 Ca 0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1wma h ALA 44 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wma h ALA 44 CO 0.00 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 1wma h ALA 45 N 1.21 0.71 -0.72 0.00 0.00 -0.77 -1.12 119.26 118.57 1wma h ALA 45 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wma h ALA 45 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1wma h ALA 45 CO -0.01 0.68 0.40 0.28 0.00 0.00 0.00 179.25 180.60 1wma h VAL 46 N 0.88 1.22 -0.64 0.00 2.07 -1.07 -1.51 116.25 117.20 1wma h VAL 46 Ca 0.12 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1wma h VAL 46 Cb 0.76 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1wma h VAL 46 CO 0.06 0.24 0.25 1.56 0.02 0.00 0.00 177.57 179.70 1wma h GLN 47 N 0.99 0.93 -0.20 1.57 4.20 -0.77 0.73 115.11 122.56 1wma h GLN 47 Ca 0.25 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1wma h GLN 47 Cb 0.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1wma h GLN 47 CO -0.04 0.76 0.13 0.37 -0.67 0.00 0.00 178.83 179.38 1wma h GLN 48 N 0.92 0.26 -0.24 1.46 4.15 -0.75 -0.79 115.11 120.12 1wma h GLN 48 Ca 0.22 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 1wma h GLN 48 Cb 0.18 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1wma h GLN 48 CO -0.02 0.17 -0.25 -0.07 -1.93 0.00 0.00 178.83 176.73 1wma h LEU 49 N 0.27 0.45 -1.06 -2.39 3.38 -0.78 -2.05 115.31 113.13 1wma h LEU 49 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1wma h LEU 49 Cb -0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1wma h LEU 49 CO -0.02 0.70 0.26 1.56 0.09 0.00 0.00 178.44 181.03 1wma h GLN 50 N 0.40 0.93 0.00 1.13 4.20 -0.51 -1.38 115.11 119.89 1wma h GLN 50 Ca 0.06 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1wma h GLN 50 Cb 0.65 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wma h GLN 50 CO 0.05 0.75 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 1wma h ALA 51 N 1.37 1.00 -0.01 3.87 0.00 -0.44 -0.18 119.26 124.87 1wma h ALA 51 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wma h ALA 51 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wma h ALA 51 CO -0.02 0.00 -0.09 0.39 0.00 0.00 0.00 179.25 179.53 1wma n GLU 52 N -3.00 1.24 -0.21 0.00 1.02 -0.64 -4.94 120.64 114.12 1wma n GLU 52 Ca -0.01 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 1wma n GLU 52 Cb 0.21 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1wma n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wma n GLY 53 N 1.23 0.89 3.76 0.62 0.00 -0.08 -5.09 105.19 106.52 1wma n GLY 53 Ca 0.17 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1wma n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wma s LEU 54 N 0.00 3.46 -0.43 0.99 1.43 -0.61 -4.99 118.68 118.53 1wma s LEU 54 Ca 0.00 -0.54 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1wma s LEU 54 Cb 0.00 -1.99 0.35 0.00 0.03 0.00 0.00 46.19 44.58 1wma s LEU 54 CO 0.00 -0.15 0.79 -1.20 0.23 0.00 0.00 176.35 176.02 1wma n SER 55 N -1.13 1.88 -4.77 2.29 7.64 -1.26 -3.49 113.62 114.78 1wma n SER 55 Ca -0.05 -3.20 -0.35 0.00 1.01 0.00 0.00 58.87 56.28 1wma n SER 55 Cb 0.59 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 1wma n SER 55 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wma s PRO 56 N -2.73 3.23 0.65 1.43 0.04 -1.26 -4.78 135.00 131.57 1wma s PRO 56 Ca 0.43 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 63.03 1wma s PRO 56 Cb 0.33 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.91 1wma s PRO 56 CO -0.10 -0.96 0.98 1.03 0.04 0.00 0.00 177.00 178.00 1wma s ARG 57 N -3.36 2.75 -0.00 4.56 0.52 0.56 -4.91 118.95 119.06 1wma s ARG 57 Ca 0.73 0.09 0.06 0.00 -0.52 0.00 0.00 55.73 56.09 1wma s ARG 57 Cb -0.25 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 1wma s ARG 57 CO 0.29 -0.92 -0.18 0.12 0.02 0.00 0.00 175.30 174.63 1wma s PHE 58 N -3.16 1.65 -0.06 -0.53 5.36 -1.26 -0.89 117.98 119.08 1wma s PHE 58 Ca 0.56 -0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 56.14 1wma s PHE 58 Cb -0.11 -1.04 0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1wma s PHE 58 CO 0.47 -0.00 0.18 -1.58 -1.46 0.00 0.00 175.22 172.83 1wma s HIS 59 N -0.51 -0.18 0.43 10.12 5.65 -0.79 -4.96 115.29 125.05 1wma s HIS 59 Ca 0.07 0.44 -0.25 0.00 0.25 0.00 0.00 55.06 55.57 1wma s HIS 59 Cb -0.07 0.06 -0.08 0.00 -1.18 0.00 0.00 32.58 31.31 1wma s HIS 59 CO -0.00 -0.12 1.24 -1.14 -0.65 0.00 0.00 174.74 174.07 1wma s GLN 60 N -0.04 3.88 -0.30 2.88 -0.44 -1.26 -3.26 119.66 121.12 1wma s GLN 60 Ca -0.01 1.99 -0.10 0.00 -2.50 0.00 0.00 55.36 54.73 1wma s GLN 60 Cb -0.02 -2.62 0.12 0.00 -1.64 0.00 0.00 33.01 28.86 1wma s GLN 60 CO 0.00 -0.51 0.65 -1.17 0.50 0.00 0.00 175.29 174.76 1wma s LEU 61 N -2.66 -1.12 -0.27 3.68 2.96 -0.11 -4.79 118.68 116.37 1wma s LEU 61 Ca 0.59 1.56 -0.03 0.00 -0.22 0.00 0.00 54.13 56.04 1wma s LEU 61 Cb -0.34 2.29 0.03 0.00 0.50 0.00 0.00 46.19 48.67 1wma s LEU 61 CO 0.43 -0.22 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.60 1wma s ASP 62 N 2.79 4.61 0.00 3.68 -1.08 -1.26 -1.86 116.67 123.55 1wma s ASP 62 Ca -0.06 -0.89 0.15 0.00 -0.52 0.00 0.00 52.55 51.23 1wma s ASP 62 Cb -0.11 -1.73 0.67 0.00 -1.46 0.00 0.00 42.92 40.29 1wma s ASP 62 CO -0.19 -0.17 1.48 2.30 0.52 0.00 0.00 175.17 179.12 1wma n ILE 63 N 4.71 0.89 1.08 4.11 -5.35 -1.26 -1.81 119.36 121.74 1wma n ILE 63 Ca -0.15 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.67 1wma n ILE 63 Cb 0.47 -0.96 0.32 0.00 -1.74 0.00 0.00 39.64 37.72 1wma n ILE 63 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1wma n ASP 64 N -1.47 2.31 -4.07 7.28 8.00 -1.26 -4.36 116.55 122.98 1wma n ASP 64 Ca 0.04 -1.78 -0.32 0.00 0.71 0.00 0.00 54.79 53.44 1wma n ASP 64 Cb 0.17 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 1wma n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wma s ASP 65 N -1.81 4.63 0.47 -2.24 -1.08 -0.75 -5.00 116.67 110.89 1wma s ASP 65 Ca 0.34 -1.60 0.13 0.00 -0.52 0.00 0.00 52.55 50.89 1wma s ASP 65 Cb 0.20 -1.60 1.09 0.00 -1.46 0.00 0.00 42.92 41.15 1wma s ASP 65 CO 0.31 -0.26 2.09 0.25 0.52 0.00 0.00 175.17 178.07 1wma h LEU 66 N 7.77 0.15 -0.88 -1.34 5.85 -1.86 -0.89 115.31 124.12 1wma h LEU 66 Ca -0.15 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1wma h LEU 66 Cb 1.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1wma h LEU 66 CO 0.50 0.15 -0.41 -0.61 -0.34 0.00 0.00 178.44 177.72 1wma h GLN 67 N 0.18 0.30 -0.33 1.25 5.75 -1.94 -0.44 115.11 119.88 1wma h GLN 67 Ca 0.05 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1wma h GLN 67 Cb 0.04 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1wma h GLN 67 CO -0.00 0.67 0.14 1.03 -2.65 0.00 0.00 178.83 178.02 1wma h SER 68 N 0.25 0.44 -0.32 -0.69 0.87 -1.47 -1.11 113.55 111.52 1wma h SER 68 Ca 0.02 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1wma h SER 68 Cb 0.84 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1wma h SER 68 CO 0.07 0.47 0.20 0.40 -0.53 0.00 0.00 176.83 177.44 1wma h ILE 69 N 0.38 1.10 -0.35 2.23 2.04 -1.14 -2.11 117.51 119.67 1wma h ILE 69 Ca 0.11 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1wma h ILE 69 Cb 0.16 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1wma h ILE 69 CO -0.01 0.10 -0.14 0.03 0.00 0.00 0.00 178.15 178.13 1wma h ARG 70 N 0.42 0.62 -0.66 2.37 3.08 -0.97 -0.40 114.38 118.84 1wma h ARG 70 Ca 0.12 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1wma h ARG 70 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1wma h ARG 70 CO -0.02 0.74 0.23 0.00 -1.07 0.00 0.00 179.97 179.85 1wma h ALA 71 N 1.29 1.17 -0.43 0.04 0.00 -0.97 -0.89 119.26 119.47 1wma h ALA 71 Ca 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1wma h ALA 71 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wma h ALA 71 CO 0.04 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 181.07 1wma h LEU 72 N 0.96 0.79 -0.29 0.00 5.85 -0.74 -1.37 115.31 120.51 1wma h LEU 72 Ca 0.22 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1wma h LEU 72 Cb 0.23 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1wma h LEU 72 CO -0.01 0.94 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.74 1wma h ARG 73 N 0.62 -0.16 -0.64 1.25 2.43 -0.76 -0.29 114.38 116.83 1wma h ARG 73 Ca 0.11 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1wma h ARG 73 Cb 0.57 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1wma h ARG 73 CO 0.03 -0.11 0.21 -0.44 -1.51 0.00 0.00 179.97 178.15 1wma h ASP 74 N -0.17 0.91 -0.47 -3.80 3.45 -0.96 -0.75 116.42 114.63 1wma h ASP 74 Ca 0.15 -0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1wma h ASP 74 Cb 0.40 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1wma h ASP 74 CO -0.39 0.85 0.29 0.15 -1.57 0.00 0.00 179.24 178.56 1wma h PHE 75 N 0.95 0.62 -0.52 4.55 3.57 -0.66 -0.96 116.94 124.50 1wma h PHE 75 Ca 0.21 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1wma h PHE 75 Cb 0.26 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1wma h PHE 75 CO 0.02 0.43 0.09 -0.07 -2.23 0.00 0.00 178.31 176.55 1wma h LEU 76 N 0.63 0.82 -0.32 0.59 3.38 -0.73 0.11 115.31 119.79 1wma h LEU 76 Ca 0.17 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1wma h LEU 76 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1wma h LEU 76 CO -0.03 0.87 0.20 0.03 0.09 0.00 0.00 178.44 179.60 1wma h ARG 77 N 0.74 0.41 -0.26 1.13 3.08 -0.96 -0.62 114.38 117.90 1wma h ARG 77 Ca 0.16 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1wma h ARG 77 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1wma h ARG 77 CO 0.01 0.27 -0.03 -0.22 -1.07 0.00 0.00 179.97 178.93 1wma h LYS 78 N 0.42 0.47 0.04 0.04 3.64 -0.90 -1.38 116.57 118.90 1wma h LYS 78 Ca 0.12 -0.17 -0.27 0.00 -1.27 0.00 0.00 60.65 59.07 1wma h LYS 78 Cb -0.04 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1wma h LYS 78 CO -0.03 0.67 -1.39 0.93 -2.27 0.00 0.00 179.45 177.35 1wma h GLU 79 N 0.23 0.07 0.00 1.90 5.08 -0.78 -3.41 114.58 117.67 1wma h GLU 79 Ca 0.07 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1wma h GLU 79 Cb 0.48 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wma h GLU 79 CO 0.02 0.87 -0.30 0.66 -1.00 0.00 0.00 179.01 179.26 1wma n TYR 80 N -3.28 0.00 -1.08 4.33 4.01 -0.34 -5.02 117.16 115.78 1wma n TYR 80 Ca -0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 1wma n TYR 80 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.03 1wma n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wma n GLY 81 N 1.12 0.59 0.00 2.72 0.00 -0.52 -4.82 105.19 104.28 1wma n GLY 81 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1wma n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wma n GLY 82 N -2.18 0.34 3.36 -0.02 0.00 -1.12 -4.88 105.19 100.69 1wma n GLY 82 Ca -0.03 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1wma n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wma s LEU 83 N 0.00 0.21 -0.27 0.99 2.96 -0.49 -4.61 118.68 117.48 1wma s LEU 83 Ca 0.00 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 54.76 1wma s LEU 83 Cb 0.00 1.60 -0.14 0.00 0.50 0.00 0.00 46.19 48.15 1wma s LEU 83 CO 0.00 -0.16 -0.28 0.47 -1.32 0.00 0.00 176.35 175.06 1wma n ASP 84 N 2.86 1.97 -4.07 3.68 9.92 -0.24 -1.33 116.55 129.33 1wma n ASP 84 Ca -0.13 0.18 -0.26 0.00 -0.53 0.00 0.00 54.79 54.05 1wma n ASP 84 Cb 0.57 -0.69 -0.17 0.00 -0.64 0.00 0.00 41.12 40.19 1wma n ASP 84 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wma s VAL 85 N -2.51 1.31 -0.14 2.53 1.01 -0.82 -1.25 120.40 120.53 1wma s VAL 85 Ca -0.37 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1wma s VAL 85 Cb 0.12 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1wma s VAL 85 CO 0.54 0.39 -0.17 -0.22 0.00 0.00 0.00 175.10 175.64 1wma s LEU 86 N 0.53 1.85 -0.34 3.92 2.96 -0.67 -0.78 118.68 126.15 1wma s LEU 86 Ca -0.14 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 1wma s LEU 86 Cb -0.16 -1.25 0.06 0.00 0.50 0.00 0.00 46.19 45.35 1wma s LEU 86 CO 0.04 0.00 0.07 -0.69 -1.32 0.00 0.00 176.35 174.46 1wma s VAL 87 N 1.15 3.20 -1.09 1.68 1.01 0.00 -0.93 120.40 125.43 1wma s VAL 87 Ca -0.01 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 1wma s VAL 87 Cb -0.14 -2.93 0.11 0.00 0.00 0.00 0.00 36.38 33.41 1wma s VAL 87 CO -0.06 -0.27 1.40 0.20 0.00 0.00 0.00 175.10 176.36 1wma s ASN 88 N 1.42 6.74 -0.20 3.32 0.01 0.22 -1.49 114.94 124.97 1wma s ASN 88 Ca -0.01 -2.20 0.17 0.00 -0.71 0.00 0.00 52.86 50.11 1wma s ASN 88 Cb -0.20 -2.48 -0.25 0.00 0.41 0.00 0.00 41.25 38.73 1wma s ASN 88 CO -0.01 -1.12 0.08 -3.20 -1.51 0.00 0.00 177.10 171.34 1wma n ASN 89 N 7.28 0.14 -4.65 -1.22 5.15 -1.25 -0.79 115.26 119.92 1wma n ASN 89 Ca 0.34 0.01 -0.44 0.00 -0.60 0.00 0.00 54.58 53.89 1wma n ASN 89 Cb 0.47 0.88 -0.02 0.00 -0.53 0.00 0.00 39.78 40.59 1wma n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wma n ALA 90 N -2.77 0.71 -3.60 5.20 0.00 -1.15 -4.87 120.51 114.04 1wma n ALA 90 Ca -0.33 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1wma n ALA 90 Cb 1.15 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1wma n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wma s GLY 91 N -0.21 -0.35 0.13 0.00 0.00 -1.26 -4.83 107.32 100.79 1wma s GLY 91 Ca 0.60 1.04 0.01 0.00 0.00 0.00 0.00 44.72 46.38 1wma s GLY 91 CO 0.58 0.32 -0.03 -0.26 0.00 0.00 0.00 173.10 173.71 1wma s ILE 92 N -2.72 0.62 -0.22 0.90 -4.36 -1.26 -5.06 121.20 109.10 1wma s ILE 92 Ca 0.10 -1.94 -0.21 0.00 -0.26 0.00 0.00 60.65 58.33 1wma s ILE 92 Cb 0.00 -1.87 0.06 0.00 1.25 0.00 0.00 42.46 41.90 1wma s ILE 92 CO -0.05 -0.70 0.61 0.00 0.24 0.00 0.00 174.94 175.04 1wma s ALA 93 N -3.69 -1.50 0.16 2.27 0.00 -1.26 -4.93 121.76 112.81 1wma s ALA 93 Ca 0.17 1.69 -0.23 0.00 0.00 0.00 0.00 51.96 53.59 1wma s ALA 93 Cb 0.06 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 22.13 1wma s ALA 93 CO -0.01 -0.29 0.73 -0.06 0.00 0.00 0.00 175.76 176.13 1wma s PHE 94 N 0.28 3.84 0.89 0.00 0.40 -1.26 -5.05 117.98 117.09 1wma s PHE 94 Ca -0.00 1.52 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 1wma s PHE 94 Cb -0.04 -2.69 0.13 0.00 0.51 0.00 0.00 43.02 40.93 1wma s PHE 94 CO 0.01 0.50 1.12 0.15 0.70 0.00 0.00 175.22 177.70 1wma s LYS 95 N -1.29 1.24 0.24 0.44 -0.14 -1.26 -4.93 119.74 114.03 1wma s LYS 95 Ca 0.36 1.32 -0.07 0.00 -1.36 0.00 0.00 55.97 56.22 1wma s LYS 95 Cb -0.21 -1.77 0.24 0.00 -1.68 0.00 0.00 37.83 34.41 1wma s LYS 95 CO 0.24 -2.40 1.91 0.28 -0.76 0.00 0.00 175.35 174.62 1wma h VAL 96 N -1.69 1.25 -0.86 3.17 2.07 -2.00 -2.90 116.25 115.29 1wma h VAL 96 Ca -0.45 -0.48 -0.40 0.00 0.82 0.00 0.00 66.70 66.19 1wma h VAL 96 Cb 1.26 -0.15 -0.24 0.00 -1.52 0.00 0.00 31.29 30.64 1wma h VAL 96 CO 0.46 0.25 0.48 0.00 0.02 0.00 0.00 177.57 178.78 1wma n ALA 97 N -2.37 5.19 -1.97 1.67 0.00 -1.26 -4.95 120.51 116.82 1wma n ALA 97 Ca 0.11 -2.79 -0.41 0.00 0.00 0.00 0.00 53.44 50.35 1wma n ALA 97 Cb 0.02 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 1wma n ALA 97 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wma s ASP 98 N -1.39 7.16 0.00 0.00 2.15 -1.10 -4.93 116.67 118.55 1wma s ASP 98 Ca 0.55 2.23 0.29 0.00 0.43 0.00 0.00 52.55 56.06 1wma s ASP 98 Cb 0.46 -2.61 1.42 0.00 -0.30 0.00 0.00 42.92 41.89 1wma s ASP 98 CO 0.10 -0.29 2.00 -0.81 -0.17 0.00 0.00 175.17 176.00 1wma n PRO 99 N 2.08 0.31 -1.70 4.34 -0.04 -1.26 -4.90 135.00 133.83 1wma n PRO 99 Ca 0.02 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.05 1wma n PRO 99 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1wma n PRO 99 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wma n THR 100 N -1.34 0.61 -1.62 0.52 -1.04 -1.26 -4.90 114.28 105.25 1wma n THR 100 Ca 0.12 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1wma n THR 100 Cb 0.26 -1.69 0.01 0.00 -1.82 0.00 0.00 70.33 67.09 1wma n THR 100 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1wma n PRO 101 N 2.65 1.45 -0.22 -2.82 -0.02 -1.26 -4.71 135.00 130.08 1wma n PRO 101 Ca 0.13 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1wma n PRO 101 Cb 0.33 -2.07 0.09 0.00 -0.02 0.00 0.00 33.50 31.82 1wma n PRO 101 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1wma h PHE 102 N 1.69 0.64 0.00 6.00 3.57 -1.96 -0.58 116.94 126.30 1wma h PHE 102 Ca -0.44 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1wma h PHE 102 Cb 1.33 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1wma h PHE 102 CO 0.45 0.31 -0.23 1.12 -2.23 0.00 0.00 178.31 177.72 1wma h HIS 103 N 0.65 0.00 -0.14 0.41 2.07 -1.90 0.10 115.15 116.35 1wma h HIS 103 Ca 0.29 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.59 1wma h HIS 103 Cb 0.18 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.17 1wma h HIS 103 CO -0.08 0.23 -0.76 0.82 -3.07 0.00 0.00 177.93 175.07 1wma h ILE 104 N 0.00 1.29 -0.82 6.12 2.04 -1.61 -1.82 117.51 122.71 1wma h ILE 104 Ca -0.00 -1.97 0.05 0.00 1.00 0.00 0.00 64.86 63.94 1wma h ILE 104 Cb 0.45 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 1wma h ILE 104 CO 0.03 0.62 0.51 1.56 0.00 0.00 0.00 178.15 180.88 1wma h GLN 105 N 0.48 0.95 -0.09 2.37 4.20 -0.39 0.44 115.11 123.05 1wma h GLN 105 Ca -0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1wma h GLN 105 Cb 1.39 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1wma h GLN 105 CO 0.16 0.63 0.05 0.00 -0.67 0.00 0.00 178.83 178.99 1wma h ALA 106 N 1.37 0.12 -0.18 3.87 0.00 -0.77 -0.68 119.26 122.99 1wma h ALA 106 Ca 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1wma h ALA 106 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wma h ALA 106 CO -0.14 -0.34 0.06 1.49 0.00 0.00 0.00 179.25 180.31 1wma h GLU 107 N 0.06 0.13 -0.31 0.00 4.81 -0.93 -0.88 114.58 117.47 1wma h GLU 107 Ca 0.03 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1wma h GLU 107 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1wma h GLU 107 CO -0.01 0.09 -0.10 0.28 -0.73 0.00 0.00 179.01 178.54 1wma h VAL 108 N 0.14 1.29 -0.50 0.32 2.07 -0.84 0.36 116.25 119.08 1wma h VAL 108 Ca 0.08 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1wma h VAL 108 Cb 0.05 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1wma h VAL 108 CO -0.08 0.38 -0.00 0.74 0.02 0.00 0.00 177.57 178.62 1wma h THR 109 N 0.37 1.26 -0.59 2.57 2.02 -1.09 -2.80 112.91 114.65 1wma h THR 109 Ca 0.07 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.08 1wma h THR 109 Cb 0.61 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1wma h THR 109 CO 0.04 0.38 0.01 -0.03 0.37 0.00 0.00 175.52 176.29 1wma h MET 110 N 0.75 1.02 -0.54 6.66 -1.53 -1.08 0.06 114.93 120.28 1wma h MET 110 Ca 0.14 -0.31 0.07 0.00 -3.44 0.00 0.00 59.70 56.16 1wma h MET 110 Cb 0.52 -0.10 -0.06 0.00 -0.55 0.00 0.00 31.60 31.41 1wma h MET 110 CO 0.03 0.99 0.23 -0.22 0.14 0.00 0.00 176.91 178.08 1wma h LYS 111 N 0.94 0.43 0.06 0.39 3.64 -0.67 -1.20 116.57 120.16 1wma h LYS 111 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1wma h LYS 111 Cb 0.53 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1wma h LYS 111 CO 0.03 0.28 -0.03 1.15 -2.27 0.00 0.00 179.45 178.61 1wma h THR 112 N 0.44 0.10 -0.36 1.00 2.02 -1.39 0.14 112.91 114.85 1wma h THR 112 Ca 0.25 -1.01 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 1wma h THR 112 Cb 0.24 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1wma h THR 112 CO -0.22 0.03 -0.22 0.78 0.37 0.00 0.00 175.52 176.26 1wma h ASN 113 N -1.02 0.72 0.00 4.18 2.35 -1.00 -2.53 115.58 118.28 1wma h ASN 113 Ca -0.01 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1wma h ASN 113 Cb 0.11 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1wma h ASN 113 CO 0.01 0.92 -0.88 0.33 -1.65 0.00 0.00 177.43 176.17 1wma n PHE 114 N -4.12 0.16 -0.06 1.19 7.35 -0.65 -4.13 117.46 117.20 1wma n PHE 114 Ca 0.00 0.07 -0.10 0.00 -0.76 0.00 0.00 57.45 56.66 1wma n PHE 114 Cb 0.42 -0.53 0.05 0.00 0.35 0.00 0.00 39.48 39.77 1wma n PHE 114 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1wma h PHE 115 N -0.97 0.89 -0.13 -5.13 -1.00 -1.16 0.13 116.94 109.56 1wma h PHE 115 Ca 0.00 -0.26 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 1wma h PHE 115 Cb 0.88 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 1wma h PHE 115 CO -0.38 1.01 0.02 0.78 -1.61 0.00 0.00 178.31 178.14 1wma h GLY 116 N 0.93 0.24 0.40 -1.45 0.00 -0.30 -0.06 103.07 102.83 1wma h GLY 116 Ca 0.05 -0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.31 1wma h GLY 116 CO 0.09 0.15 0.18 -0.84 0.00 0.00 0.00 176.54 176.11 1wma h THR 117 N 0.00 0.76 -0.33 4.70 2.02 -1.38 -0.87 112.91 117.81 1wma h THR 117 Ca 0.04 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1wma h THR 117 Cb 0.29 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1wma h THR 117 CO 0.00 0.06 0.22 -0.09 0.37 0.00 0.00 175.52 176.08 1wma h ARG 118 N 0.35 0.44 -0.46 6.66 2.43 -0.77 -1.60 114.38 121.43 1wma h ARG 118 Ca 0.28 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1wma h ARG 118 Cb 0.35 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1wma h ARG 118 CO -0.30 0.30 0.05 -0.44 -1.51 0.00 0.00 179.97 178.06 1wma h ASP 119 N 0.45 0.69 -0.49 -3.80 3.32 -0.40 0.86 116.42 117.05 1wma h ASP 119 Ca 0.12 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1wma h ASP 119 Cb -0.04 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1wma h ASP 119 CO -0.03 0.73 0.31 0.58 -1.72 0.00 0.00 179.24 179.11 1wma h VAL 120 N 0.69 1.09 -0.57 -1.35 2.07 -0.89 -2.18 116.25 115.10 1wma h VAL 120 Ca 0.15 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1wma h VAL 120 Cb 0.36 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1wma h VAL 120 CO 0.01 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1wma h THR 122 N 0.90 0.84 0.08 0.00 2.02 -0.56 -0.12 112.91 116.06 1wma h THR 122 Ca 0.16 -0.21 -0.28 0.00 0.77 0.00 0.00 66.41 66.85 1wma h THR 122 Cb 0.54 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1wma h THR 122 CO 0.03 0.11 -1.40 -0.33 0.37 0.00 0.00 175.52 174.30 1wma h GLU 123 N 0.62 0.16 0.00 6.66 4.39 -1.10 -3.41 114.58 121.90 1wma h GLU 123 Ca 0.37 -0.28 -0.27 0.00 0.34 0.00 0.00 59.36 59.52 1wma h GLU 123 Cb 0.40 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 1wma h GLU 123 CO -0.28 1.02 -2.15 1.28 -1.16 0.00 0.00 179.01 177.71 1wma n LEU 124 N -3.38 0.00 -0.31 1.33 4.77 0.56 -4.39 117.00 115.59 1wma n LEU 124 Ca -0.12 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1wma n LEU 124 Cb 1.02 0.37 0.34 0.00 -2.33 0.00 0.00 43.42 42.82 1wma n LEU 124 CO 0.49 0.37 1.22 -0.07 -1.33 0.00 0.00 177.39 178.07 1wma h LEU 125 N 0.00 0.74 -1.11 2.23 3.38 -1.18 -0.45 115.31 118.93 1wma h LEU 125 Ca -0.41 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1wma h LEU 125 Cb 1.91 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1wma h LEU 125 CO 0.02 0.36 0.00 -2.65 0.09 0.00 0.00 178.44 176.26 1wma n PRO 126 N -4.61 0.16 0.01 1.13 -0.02 -1.26 -1.73 135.00 128.69 1wma n PRO 126 Ca 0.19 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 1wma n PRO 126 Cb 0.47 -1.92 0.26 0.00 -0.02 0.00 0.00 33.50 32.29 1wma n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wma n LEU 127 N -2.24 0.50 -4.73 2.45 4.32 -0.18 -4.93 117.00 112.20 1wma n LEU 127 Ca 0.00 0.08 -0.42 0.00 -0.02 0.00 0.00 56.01 55.66 1wma n LEU 127 Cb 0.11 -0.25 -0.03 0.00 -1.62 0.00 0.00 43.42 41.63 1wma n LEU 127 CO 0.14 0.08 1.13 -0.63 -1.22 0.00 0.00 177.39 176.89 1wma s ILE 128 N -3.04 2.84 0.47 -0.08 -1.09 -0.71 -1.39 121.20 118.20 1wma s ILE 128 Ca 0.10 0.64 -0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1wma s ILE 128 Cb 0.17 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 1wma s ILE 128 CO 0.69 0.07 0.73 -0.54 -1.23 0.00 0.00 174.94 174.66 1wma s LYS 129 N 0.62 3.32 0.49 2.79 1.02 -0.45 -4.90 119.74 122.64 1wma s LYS 129 Ca 0.65 -0.09 -0.22 0.00 0.02 0.00 0.00 55.97 56.34 1wma s LYS 129 Cb -0.41 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 1wma s LYS 129 CO 0.35 -0.23 0.90 -2.30 -0.92 0.00 0.00 175.35 173.14 1wma n PRO 130 N -2.18 1.05 -1.01 -1.68 -0.02 -1.26 -1.20 135.00 128.70 1wma n PRO 130 Ca 0.00 0.39 -0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1wma n PRO 130 Cb 0.56 -1.99 -0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1wma n PRO 130 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1wma n GLN 131 N -0.18 -1.12 -1.41 -0.52 6.02 0.30 -4.99 117.38 115.48 1wma n GLN 131 Ca 0.11 0.29 -0.30 0.00 -0.01 0.00 0.00 57.00 57.09 1wma n GLN 131 Cb 0.43 -4.14 0.10 0.00 1.02 0.00 0.00 30.24 27.64 1wma n GLN 131 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wma s GLY 132 N -2.02 1.63 0.01 1.08 0.00 -0.34 -4.89 107.32 102.79 1wma s GLY 132 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.68 1wma s GLY 132 CO 0.00 0.36 -0.08 0.50 0.00 0.00 0.00 173.10 173.88 1wma s ARG 133 N -5.04 0.58 -0.07 2.90 3.00 -0.38 -2.39 118.95 117.55 1wma s ARG 133 Ca 0.61 -0.39 0.04 0.00 0.00 0.00 0.00 55.73 56.00 1wma s ARG 133 Cb -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 34.95 34.26 1wma s ARG 133 CO 0.55 0.14 -0.19 0.08 0.00 0.00 0.00 175.30 175.88 1wma s VAL 134 N -0.45 1.66 -0.16 3.52 1.01 -0.42 -1.67 120.40 123.89 1wma s VAL 134 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1wma s VAL 134 Cb -0.04 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1wma s VAL 134 CO 0.00 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 1wma s VAL 135 N 0.28 1.34 -0.26 2.92 1.01 -0.10 -1.86 120.40 123.73 1wma s VAL 135 Ca -0.12 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1wma s VAL 135 Cb -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1wma s VAL 135 CO 0.05 0.27 0.12 0.20 0.00 0.00 0.00 175.10 175.74 1wma s ASN 136 N 1.55 5.55 -0.56 3.32 0.01 -0.28 -0.61 114.94 123.92 1wma s ASN 136 Ca 0.02 -0.10 -0.25 0.00 -0.71 0.00 0.00 52.86 51.83 1wma s ASN 136 Cb -0.14 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.55 1wma s ASN 136 CO -0.09 -0.02 0.98 -0.69 -1.51 0.00 0.00 177.10 175.77 1wma s VAL 137 N 1.56 4.33 0.00 1.60 1.01 0.03 -1.17 120.40 127.76 1wma s VAL 137 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1wma s VAL 137 Cb -0.15 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1wma s VAL 137 CO 0.06 -1.16 0.00 -0.24 0.00 0.00 0.00 175.10 173.76 1wma n SER 138 N 7.62 0.00 -3.55 3.32 2.88 0.11 -4.86 113.62 119.13 1wma n SER 138 Ca 0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 1wma n SER 138 Cb 0.48 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 1wma n SER 138 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wma s SER 139 N -1.00 -0.45 0.66 -3.46 0.15 -1.23 -4.75 113.70 103.62 1wma s SER 139 Ca 0.00 0.43 0.42 0.00 0.70 0.00 0.00 55.95 57.50 1wma s SER 139 Cb 0.00 0.38 2.34 0.00 -1.71 0.00 0.00 66.02 67.03 1wma s SER 139 CO 0.00 -0.46 2.35 -0.29 1.20 0.00 0.00 173.24 176.04 1wma h ILE 140 N 2.59 0.08 -0.03 6.45 6.09 -1.93 0.09 117.51 130.85 1wma h ILE 140 Ca -0.21 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.28 1wma h ILE 140 Cb 1.17 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.45 1wma h ILE 140 CO 0.33 0.00 0.04 0.24 -3.07 0.00 0.00 178.15 175.70 1wma h MET 141 N 0.00 0.00 -0.47 2.19 2.86 -1.94 -1.54 114.93 116.03 1wma h MET 141 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1wma h MET 141 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1wma h MET 141 CO -0.00 0.00 -0.13 0.66 1.06 0.00 0.00 176.91 178.50 1wma h SER 142 N 0.00 0.93 -0.51 1.22 4.64 -1.17 0.12 113.55 118.77 1wma h SER 142 Ca 0.01 -0.37 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 1wma h SER 142 Cb 0.10 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1wma h SER 142 CO -0.00 1.08 0.12 0.58 -0.87 0.00 0.00 176.83 177.75 1wma h VAL 143 N 0.76 1.24 -0.24 0.95 2.07 -1.47 -1.15 116.25 118.41 1wma h VAL 143 Ca 0.12 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1wma h VAL 143 Cb 0.69 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1wma h VAL 143 CO 0.05 0.31 0.06 -0.09 0.02 0.00 0.00 177.57 177.93 1wma h ARG 144 N 0.71 0.38 -0.42 1.57 2.43 -1.27 -2.98 114.38 114.81 1wma h ARG 144 Ca 0.16 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1wma h ARG 144 Cb 0.34 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1wma h ARG 144 CO 0.00 0.48 0.14 0.00 -1.51 0.00 0.00 179.97 179.08 1wma h ALA 145 N 0.89 1.46 -0.82 2.80 0.00 -0.64 -2.34 119.26 120.60 1wma h ALA 145 Ca 0.08 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1wma h ALA 145 Cb 0.27 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1wma h ALA 145 CO -0.00 0.41 0.45 1.25 0.00 0.00 0.00 179.25 181.36 1wma h LEU 146 N 0.60 0.61 -1.97 0.00 5.85 -1.06 -0.98 115.31 118.36 1wma h LEU 146 Ca 0.14 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1wma h LEU 146 Cb 0.17 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1wma h LEU 146 CO -0.01 0.33 0.01 0.50 -0.34 0.00 0.00 178.44 178.93 1wma h LYS 147 N 0.72 0.03 -0.01 1.25 1.63 -1.33 -2.17 116.57 116.69 1wma h LYS 147 Ca 0.41 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.21 1wma h LYS 147 Cb 0.45 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1wma h LYS 147 CO -0.28 0.02 -0.06 0.43 -3.45 0.00 0.00 179.45 176.11 1wma n SER 148 N -4.53 1.41 -4.82 4.20 7.64 -0.39 -4.88 113.62 112.25 1wma n SER 148 Ca -0.03 -1.36 -0.32 0.00 1.01 0.00 0.00 58.87 58.17 1wma n SER 148 Cb 0.09 0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1wma n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wma n SER 150 N -1.96 0.05 -0.29 0.00 3.41 0.23 -4.70 113.62 110.36 1wma n SER 150 Ca 0.08 0.44 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 1wma n SER 150 Cb 0.53 -1.44 0.32 0.00 -0.26 0.00 0.00 64.21 63.37 1wma n SER 150 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wma h PRO 151 N -1.63 0.79 -0.38 4.33 0.11 -1.96 0.22 132.00 133.48 1wma h PRO 151 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1wma h PRO 151 Cb 1.28 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1wma h PRO 151 CO 0.41 0.52 0.13 0.93 -0.21 0.00 0.00 178.00 179.78 1wma h GLU 152 N 0.81 0.59 -0.18 1.05 3.07 -1.97 -1.29 114.58 116.66 1wma h GLU 152 Ca 0.45 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1wma h GLU 152 Cb 0.58 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1wma h GLU 152 CO -0.21 0.58 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.45 1wma h LEU 153 N 0.47 0.48 -0.58 1.33 3.38 -1.77 -2.48 115.31 116.14 1wma h LEU 153 Ca 0.12 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1wma h LEU 153 Cb 0.23 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1wma h LEU 153 CO -0.01 0.87 0.34 1.56 0.09 0.00 0.00 178.44 181.30 1wma h GLN 154 N 0.36 0.65 -0.70 1.13 4.20 -0.71 -0.75 115.11 119.29 1wma h GLN 154 Ca 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wma h GLN 154 Cb 0.95 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1wma h GLN 154 CO 0.08 0.43 0.43 0.37 -0.67 0.00 0.00 178.83 179.47 1wma h GLN 155 N 0.67 0.94 -0.69 1.46 -0.00 -1.05 -0.41 115.11 116.03 1wma h GLN 155 Ca 0.24 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 1wma h GLN 155 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.30 1wma h GLN 155 CO -0.11 0.66 0.36 0.87 0.00 0.00 0.00 178.83 180.60 1wma h LYS 156 N 0.95 0.98 0.00 1.69 1.57 -0.98 -1.77 116.57 119.01 1wma h LYS 156 Ca 0.25 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wma h LYS 156 Cb -0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1wma h LYS 156 CO -0.05 0.75 -0.02 0.74 -0.57 0.00 0.00 179.45 180.30 1wma h PHE 157 N 0.95 0.00 -0.01 -1.35 0.04 -0.76 -2.72 116.94 113.09 1wma h PHE 157 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1wma h PHE 157 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1wma h PHE 157 CO 0.00 0.02 -0.37 0.54 -0.60 0.00 0.00 178.31 177.90 1wma n ARG 158 N -3.11 0.82 -1.78 1.51 1.74 -0.20 -4.88 116.66 110.77 1wma n ARG 158 Ca 0.03 -0.56 -0.41 0.00 -0.77 0.00 0.00 57.85 56.14 1wma n ARG 158 Cb 0.46 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1wma n ARG 158 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wma s SER 159 N -2.56 6.10 0.00 0.55 0.15 -0.68 -4.89 113.70 112.36 1wma s SER 159 Ca 0.21 3.02 0.25 0.00 0.70 0.00 0.00 55.95 60.13 1wma s SER 159 Cb 0.19 -2.66 0.88 0.00 -1.71 0.00 0.00 66.02 62.71 1wma s SER 159 CO 0.57 -1.03 1.64 -0.62 1.20 0.00 0.00 173.24 174.99 1wma n GLU 160 N 0.15 1.76 0.00 5.44 1.02 -1.26 -3.94 120.64 123.80 1wma n GLU 160 Ca 0.03 -1.11 0.02 0.00 -0.02 0.00 0.00 57.16 56.07 1wma n GLU 160 Cb 0.40 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1wma n GLU 160 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wma n THR 161 N 0.34 0.00 -1.77 2.62 -2.24 -1.26 -5.04 114.28 106.92 1wma n THR 161 Ca 0.18 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1wma n THR 161 Cb 0.37 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.66 1wma n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wma n ILE 162 N -0.21 2.26 -3.68 2.28 3.06 -1.25 -5.00 119.36 116.82 1wma n ILE 162 Ca 0.02 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.53 1wma n ILE 162 Cb 0.08 -1.94 -0.02 0.00 0.54 0.00 0.00 39.64 38.29 1wma n ILE 162 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1wma s THR 163 N -1.14 5.19 0.31 9.51 -4.23 -1.26 -4.89 115.64 119.13 1wma s THR 163 Ca 0.56 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 1wma s THR 163 Cb -0.46 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 69.82 1wma s THR 163 CO 0.62 -0.38 1.92 -0.08 -0.54 0.00 0.00 174.62 176.16 1wma h GLU 164 N 1.20 0.95 -0.13 3.99 4.81 -1.96 -1.54 114.58 121.90 1wma h GLU 164 Ca -0.50 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 58.52 1wma h GLU 164 Cb 1.22 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1wma h GLU 164 CO 0.63 0.63 -0.57 0.93 -0.73 0.00 0.00 179.01 179.89 1wma h GLU 165 N 0.97 0.40 -0.54 1.92 3.07 -1.99 -0.26 114.58 118.14 1wma h GLU 165 Ca 0.37 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1wma h GLU 165 Cb 0.20 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1wma h GLU 165 CO -0.13 0.86 0.24 0.93 -1.40 0.00 0.00 179.01 179.50 1wma h GLU 166 N 0.30 0.80 -0.48 2.33 5.08 -1.82 -2.08 114.58 118.72 1wma h GLU 166 Ca 0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1wma h GLU 166 Cb 1.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1wma h GLU 166 CO 0.10 0.68 0.23 1.25 -1.00 0.00 0.00 179.01 180.26 1wma h LEU 167 N 0.74 0.64 -0.50 1.33 5.85 -0.84 -1.89 115.31 120.63 1wma h LEU 167 Ca 0.18 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1wma h LEU 167 Cb 0.16 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1wma h LEU 167 CO -0.02 0.59 0.17 0.58 -0.34 0.00 0.00 178.44 179.43 1wma h VAL 168 N 0.64 0.82 -0.68 1.05 2.07 -0.96 0.15 116.25 119.33 1wma h VAL 168 Ca 0.16 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1wma h VAL 168 Cb 0.13 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1wma h VAL 168 CO -0.02 0.06 0.40 1.23 0.02 0.00 0.00 177.57 179.26 1wma h GLY 169 N 0.35 1.00 1.13 2.17 0.00 -1.02 -1.11 103.07 105.58 1wma h GLY 169 Ca 0.24 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1wma h GLY 169 CO -0.25 0.21 -0.18 1.41 0.00 0.00 0.00 176.54 177.72 1wma h LEU 170 N 0.76 1.02 -0.36 3.11 3.38 -0.73 0.10 115.31 122.59 1wma h LEU 170 Ca 0.29 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1wma h LEU 170 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wma h LEU 170 CO -0.15 1.17 0.10 0.24 0.09 0.00 0.00 178.44 179.88 1wma h MET 171 N 0.87 0.57 -0.26 1.13 2.86 -0.66 -0.86 114.93 118.58 1wma h MET 171 Ca 0.12 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1wma h MET 171 Cb 0.76 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1wma h MET 171 CO 0.06 0.61 -0.05 -0.91 1.06 0.00 0.00 176.91 177.67 1wma h ASN 172 N 0.43 0.38 -0.57 1.22 -0.26 -1.18 -2.77 115.58 112.83 1wma h ASN 172 Ca 0.11 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1wma h ASN 172 Cb 0.29 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1wma h ASN 172 CO -0.00 0.48 0.26 0.50 -1.06 0.00 0.00 177.43 177.61 1wma h LYS 173 N 0.38 0.82 -0.17 0.81 3.64 -0.43 -0.27 116.57 121.35 1wma h LYS 173 Ca 0.08 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1wma h LYS 173 Cb 0.35 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1wma h LYS 173 CO 0.02 0.68 -0.16 0.35 -2.27 0.00 0.00 179.45 178.07 1wma h PHE 174 N 0.77 -0.39 -0.18 1.91 3.57 -0.93 0.18 116.94 121.87 1wma h PHE 174 Ca 0.19 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1wma h PHE 174 Cb 0.14 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1wma h PHE 174 CO 0.00 -0.23 0.10 0.28 -2.23 0.00 0.00 178.31 176.24 1wma h VAL 175 N -0.17 1.02 -0.73 1.41 2.07 -1.22 -0.72 116.25 117.90 1wma h VAL 175 Ca 0.11 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1wma h VAL 175 Cb 0.33 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1wma h VAL 175 CO -0.28 0.04 0.40 -0.33 0.02 0.00 0.00 177.57 177.43 1wma h GLU 176 N 0.21 1.01 -0.47 1.57 5.08 -0.84 -2.45 114.58 118.68 1wma h GLU 176 Ca 0.07 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1wma h GLU 176 Cb -0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1wma h GLU 176 CO -0.03 0.73 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.26 1wma h ASP 177 N 1.01 0.76 -0.88 1.42 3.32 0.02 -1.82 116.42 120.25 1wma h ASP 177 Ca 0.26 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1wma h ASP 177 Cb 0.02 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1wma h ASP 177 CO -0.04 0.84 0.51 0.71 -1.72 0.00 0.00 179.24 179.53 1wma h THR 178 N 0.74 1.25 0.00 0.35 1.35 -0.70 -1.33 112.91 114.57 1wma h THR 178 Ca 0.14 -0.58 -0.07 0.00 -0.55 0.00 0.00 66.41 65.35 1wma h THR 178 Cb 0.46 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 1wma h THR 178 CO 0.02 0.27 -0.35 0.50 -0.25 0.00 0.00 175.52 175.72 1wma h LYS 179 N 1.22 0.00 -0.01 4.72 3.64 -1.02 -2.23 116.57 122.90 1wma h LYS 179 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1wma h LYS 179 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1wma h LYS 179 CO -0.05 0.35 -0.05 1.63 -2.27 0.00 0.00 179.45 179.06 1wma n LYS 180 N -4.10 1.12 -2.12 1.90 5.02 -0.75 -4.93 118.16 114.29 1wma n LYS 180 Ca -0.02 -0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 55.76 1wma n LYS 180 Cb 0.39 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 1wma n LYS 180 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wma n GLY 181 N 1.16 0.05 0.00 0.72 0.00 -0.76 -4.91 105.19 101.46 1wma n GLY 181 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wma n GLY 181 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wma n VAL 182 N -3.94 0.29 -0.26 1.61 3.14 -0.58 -4.87 118.33 113.72 1wma n VAL 182 Ca -0.11 -0.33 -0.06 0.00 -2.96 0.00 0.00 64.34 60.88 1wma n VAL 182 Cb 0.57 1.01 0.05 0.00 -1.06 0.00 0.00 33.84 34.41 1wma n VAL 182 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 1wma h HIS 183 N 0.00 1.03 -0.47 1.45 2.07 -1.87 -0.93 115.15 116.44 1wma h HIS 183 Ca 0.00 -0.04 -0.11 0.00 -2.85 0.00 0.00 60.37 57.37 1wma h HIS 183 Cb 0.68 -0.32 -0.01 0.00 2.57 0.00 0.00 27.41 30.33 1wma h HIS 183 CO 0.00 0.75 -0.13 1.96 -3.07 0.00 0.00 177.93 177.45 1wma h GLN 184 N 1.01 0.91 -0.53 5.12 4.20 -1.88 -1.19 115.11 122.75 1wma h GLN 184 Ca 0.25 -0.36 0.05 0.00 0.06 0.00 0.00 58.65 58.66 1wma h GLN 184 Cb 0.10 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1wma h GLN 184 CO -0.03 1.01 0.35 -0.22 -0.67 0.00 0.00 178.83 179.26 1wma h LYS 185 N 0.75 0.49 -0.04 1.46 3.64 -1.80 -0.95 116.57 120.12 1wma h LYS 185 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1wma h LYS 185 Cb 0.68 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1wma h LYS 185 CO 0.05 0.32 0.00 0.39 -2.27 0.00 0.00 179.45 177.94 1wma n GLU 186 N -4.47 1.25 0.00 1.90 -0.58 -0.39 -4.90 120.64 113.44 1wma n GLU 186 Ca 0.07 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1wma n GLU 186 Cb 0.22 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1wma n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wma n GLY 187 N 0.97 0.92 3.87 0.62 0.00 -0.36 -4.94 105.19 106.27 1wma n GLY 187 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1wma n GLY 187 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wma s TRP 188 N -2.00 3.45 1.01 1.61 0.52 -0.50 -0.60 118.94 122.43 1wma s TRP 188 Ca 0.00 1.06 -0.13 0.00 0.02 0.00 0.00 56.10 57.05 1wma s TRP 188 Cb 0.00 -2.45 0.19 0.00 -1.15 0.00 0.00 33.47 30.07 1wma s TRP 188 CO 0.00 -0.06 1.11 -1.25 0.02 0.00 0.00 176.95 176.77 1wma s PRO 189 N -3.68 0.36 0.34 4.98 0.05 -1.25 -4.23 135.00 131.57 1wma s PRO 189 Ca 0.51 0.39 0.18 0.00 0.05 0.00 0.00 61.00 62.13 1wma s PRO 189 Cb -0.10 -1.74 0.28 0.00 0.05 0.00 0.00 34.50 32.98 1wma s PRO 189 CO 0.29 -2.75 1.55 1.03 0.05 0.00 0.00 177.00 177.16 1wma h SER 190 N -1.90 0.00 -3.59 6.66 0.87 -1.96 -3.45 113.55 110.19 1wma h SER 190 Ca -0.53 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.41 1wma h SER 190 Cb 1.33 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.17 1wma h SER 190 CO 0.57 0.37 0.36 -0.55 -0.53 0.00 0.00 176.83 177.05 1wma s SER 191 N -6.37 6.47 0.10 6.23 0.15 -1.26 -4.93 113.70 114.09 1wma s SER 191 Ca 0.04 0.10 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 1wma s SER 191 Cb 0.08 -2.39 -0.07 0.00 -1.71 0.00 0.00 66.02 61.93 1wma s SER 191 CO 0.71 -0.83 1.65 0.00 1.20 0.00 0.00 173.24 175.97 1wma h ALA 192 N 8.76 0.32 -0.54 5.45 0.00 -1.97 -2.14 119.26 129.15 1wma h ALA 192 Ca -0.25 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1wma h ALA 192 Cb 1.09 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1wma h ALA 192 CO 0.94 -0.08 0.25 -0.92 0.00 0.00 0.00 179.25 179.44 1wma h TYR 193 N 0.25 0.45 -0.92 0.00 3.20 -1.93 -1.63 116.97 116.40 1wma h TYR 193 Ca 0.08 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1wma h TYR 193 Cb 0.18 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1wma h TYR 193 CO -0.01 0.20 0.59 0.78 -1.64 0.00 0.00 178.16 178.07 1wma h GLY 194 N 0.48 1.38 1.22 1.82 0.00 -1.79 -1.86 103.07 104.32 1wma h GLY 194 Ca 0.25 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1wma h GLY 194 CO -0.20 0.32 0.00 -2.08 0.00 0.00 0.00 176.54 174.59 1wma h VAL 195 N 1.09 1.26 -0.60 4.60 2.07 -0.81 -0.72 116.25 123.13 1wma h VAL 195 Ca 0.39 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1wma h VAL 195 Cb 0.12 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1wma h VAL 195 CO -0.16 0.39 0.40 0.71 0.02 0.00 0.00 177.57 178.93 1wma h THR 196 N 0.87 1.15 0.00 2.57 1.35 -0.55 -1.34 112.91 116.95 1wma h THR 196 Ca 0.16 -0.28 -0.17 0.00 -0.55 0.00 0.00 66.41 65.58 1wma h THR 196 Cb 0.51 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 1wma h THR 196 CO 0.02 0.15 -0.79 0.11 -0.25 0.00 0.00 175.52 174.76 1wma h LYS 197 N 0.81 0.00 -0.50 4.72 1.79 -0.84 -1.75 116.57 120.79 1wma h LYS 197 Ca 0.22 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.78 1wma h LYS 197 Cb -0.08 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.50 1wma h LYS 197 CO -0.05 0.79 0.07 0.82 -1.08 0.00 0.00 179.45 180.00 1wma h ILE 198 N 0.00 0.68 -0.48 1.86 2.04 -0.52 -0.16 117.51 120.92 1wma h ILE 198 Ca -0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1wma h ILE 198 Cb 1.59 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1wma h ILE 198 CO 0.10 0.04 0.19 1.23 0.00 0.00 0.00 178.15 179.71 1wma h GLY 199 N 0.19 0.64 0.96 5.37 0.00 -0.67 0.28 103.07 109.85 1wma h GLY 199 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1wma h GLY 199 CO -0.36 0.04 0.21 -2.08 0.00 0.00 0.00 176.54 174.35 1wma h VAL 200 N 0.38 1.17 -0.25 4.60 2.07 -0.91 0.28 116.25 123.58 1wma h VAL 200 Ca 0.22 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1wma h VAL 200 Cb 0.21 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1wma h VAL 200 CO -0.21 0.18 0.14 0.74 0.02 0.00 0.00 177.57 178.44 1wma h THR 201 N 0.54 1.11 -0.45 2.57 2.02 -0.57 -1.52 112.91 116.60 1wma h THR 201 Ca 0.14 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 1wma h THR 201 Cb 0.09 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1wma h THR 201 CO -0.02 0.10 -0.20 0.58 0.37 0.00 0.00 175.52 176.35 1wma h VAL 202 N 0.30 1.27 -0.95 3.16 2.07 -0.86 -2.18 116.25 119.06 1wma h VAL 202 Ca 0.09 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.32 1wma h VAL 202 Cb 0.04 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1wma h VAL 202 CO -0.02 0.46 0.61 0.25 0.02 0.00 0.00 177.57 178.89 1wma h LEU 203 N 0.79 0.96 -0.58 2.57 5.85 -0.79 -0.47 115.31 123.65 1wma h LEU 203 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1wma h LEU 203 Cb 0.76 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1wma h LEU 203 CO 0.06 0.61 0.34 0.28 -0.34 0.00 0.00 178.44 179.39 1wma h SER 204 N 1.10 0.71 -0.51 1.25 0.02 -0.81 -0.04 113.55 115.28 1wma h SER 204 Ca 0.41 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1wma h SER 204 Cb 0.17 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1wma h SER 204 CO -0.17 0.58 0.27 0.03 -1.14 0.00 0.00 176.83 176.40 1wma h ARG 205 N 0.79 0.71 -0.30 3.45 3.08 -0.72 -0.40 114.38 120.99 1wma h ARG 205 Ca 0.21 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1wma h ARG 205 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1wma h ARG 205 CO -0.04 0.56 0.15 0.82 -1.07 0.00 0.00 179.97 180.39 1wma h ILE 206 N 0.68 1.14 -0.41 2.04 2.04 -0.80 -2.06 117.51 120.14 1wma h ILE 206 Ca 0.18 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1wma h ILE 206 Cb 0.06 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1wma h ILE 206 CO -0.03 0.15 -0.11 0.45 0.00 0.00 0.00 178.15 178.61 1wma h HIS 207 N 0.35 0.80 -0.87 1.37 3.86 -0.85 0.15 115.15 119.97 1wma h HIS 207 Ca 0.10 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1wma h HIS 207 Cb 0.10 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 1wma h HIS 207 CO -0.02 0.81 0.50 0.00 0.86 0.00 0.00 177.93 180.07 1wma h ALA 208 N 1.21 1.11 -0.14 2.45 0.00 -0.97 0.14 119.26 123.07 1wma h ALA 208 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wma h ALA 208 Cb 0.57 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wma h ALA 208 CO 0.04 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.96 1wma h ARG 209 N 1.21 0.14 -0.49 0.00 3.08 -0.71 -2.58 114.38 115.03 1wma h ARG 209 Ca 0.31 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1wma h ARG 209 Cb -0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1wma h ARG 209 CO -0.05 0.10 0.25 -0.22 -1.07 0.00 0.00 179.97 178.97 1wma h LYS 210 N 0.15 0.70 -0.87 0.04 3.64 0.08 -1.77 116.57 118.54 1wma h LYS 210 Ca 0.05 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1wma h LYS 210 Cb 0.01 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 1wma h LYS 210 CO -0.04 0.57 0.54 -0.07 -2.27 0.00 0.00 179.45 178.18 1wma h LEU 211 N 0.64 0.84 -1.38 5.20 3.38 -0.77 0.55 115.31 123.77 1wma h LEU 211 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wma h LEU 211 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1wma h LEU 211 CO -0.02 0.53 0.40 0.28 0.09 0.00 0.00 178.44 179.71 1wma h SER 212 N 0.97 0.71 0.42 -0.43 0.02 -0.97 0.31 113.55 114.58 1wma h SER 212 Ca 0.38 -0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 61.00 1wma h SER 212 Cb 0.19 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1wma h SER 212 CO -0.18 0.52 -1.40 1.05 -1.14 0.00 0.00 176.83 175.68 1wma h GLU 213 N 0.83 0.41 -0.01 3.45 4.11 -0.26 -3.28 114.58 119.83 1wma h GLU 213 Ca 0.22 -0.70 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1wma h GLU 213 Cb -0.08 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wma h GLU 213 CO -0.05 1.33 -0.51 1.04 0.07 0.00 0.00 179.01 180.89 1wma n GLN 214 N -3.62 1.75 -1.84 1.06 6.02 0.02 -4.41 117.38 116.35 1wma n GLN 214 Ca -0.14 -0.47 -0.05 0.00 -0.01 0.00 0.00 57.00 56.34 1wma n GLN 214 Cb 1.07 -1.26 0.07 0.00 1.02 0.00 0.00 30.24 31.14 1wma n GLN 214 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wma n ARG 215 N -0.65 1.84 -1.90 -1.09 5.12 0.11 -5.05 116.66 115.04 1wma n ARG 215 Ca 0.05 -3.32 -0.37 0.00 -1.93 0.00 0.00 57.85 52.28 1wma n ARG 215 Cb 0.30 -1.44 0.04 0.00 -1.16 0.00 0.00 32.46 30.20 1wma n ARG 215 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1wma s LYS 216 N -2.79 3.05 0.00 5.56 -2.85 -1.24 -0.86 119.74 120.62 1wma s LYS 216 Ca 0.38 2.03 0.00 0.00 -1.00 0.00 0.00 55.97 57.37 1wma s LYS 216 Cb 0.37 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 1wma s LYS 216 CO -0.05 -1.19 0.00 0.41 0.10 0.00 0.00 175.35 174.61 1wma n GLY 217 N 0.67 2.97 0.36 0.59 0.00 -1.26 -4.84 105.19 103.68 1wma n GLY 217 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1wma n GLY 217 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wma n ASP 218 N 0.00 1.12 -2.95 1.61 8.00 -0.04 -4.93 116.55 119.36 1wma n ASP 218 Ca 0.00 -1.36 -0.22 0.00 0.71 0.00 0.00 54.79 53.92 1wma n ASP 218 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1wma n ASP 218 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wma n LYS 219 N -0.13 -4.13 -3.26 -1.24 5.02 -1.26 -0.54 118.16 112.61 1wma n LYS 219 Ca 0.20 0.85 -0.39 0.00 -2.02 0.00 0.00 58.31 56.96 1wma n LYS 219 Cb 0.30 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 29.59 1wma n LYS 219 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wma s ILE 220 N -3.10 4.92 -0.06 -0.18 1.01 -1.26 -3.69 121.20 118.83 1wma s ILE 220 Ca 0.26 1.16 0.05 0.00 0.00 0.00 0.00 60.65 62.13 1wma s ILE 220 Cb -0.12 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1wma s ILE 220 CO 0.32 0.45 -0.23 -0.76 0.00 0.00 0.00 174.94 174.72 1wma s LEU 221 N -0.35 2.16 -0.04 2.97 1.43 -1.01 -4.97 118.68 118.88 1wma s LEU 221 Ca 0.29 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1wma s LEU 221 Cb -0.18 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1wma s LEU 221 CO 0.16 0.24 -0.00 -0.22 0.23 0.00 0.00 176.35 176.76 1wma s LEU 222 N -0.14 1.06 0.05 1.79 0.20 -1.26 -1.31 118.68 119.07 1wma s LEU 222 Ca -0.04 -0.05 -0.05 0.00 0.69 0.00 0.00 54.13 54.68 1wma s LEU 222 Cb -0.14 -0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.32 1wma s LEU 222 CO 0.04 -0.11 0.09 0.20 -0.29 0.00 0.00 176.35 176.27 1wma s ASN 223 N 1.20 0.23 0.26 3.68 0.01 -0.78 -0.11 114.94 119.42 1wma s ASN 223 Ca -0.07 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 51.46 1wma s ASN 223 Cb -0.13 0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.73 1wma s ASN 223 CO -0.02 -0.57 0.41 0.00 -1.51 0.00 0.00 177.10 175.42 1wma s ALA 224 N -3.08 3.86 0.19 0.60 0.00 -0.10 -1.13 121.76 122.10 1wma s ALA 224 Ca -0.01 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 1wma s ALA 224 Cb 0.02 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1wma s ALA 224 CO -0.07 0.22 0.48 0.00 0.00 0.00 0.00 175.76 176.39 1wma n PRO 227 N 3.29 0.37 0.00 0.00 -0.04 -1.26 -4.37 135.00 132.99 1wma n PRO 227 Ca -0.18 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1wma n PRO 227 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1wma n PRO 227 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wma n GLY 228 N 1.33 -2.32 3.53 0.55 0.00 -1.26 -4.40 105.19 102.62 1wma n GLY 228 Ca 0.13 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1wma n GLY 228 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wma s TRP 229 N -0.30 3.01 -0.06 1.61 -0.00 -1.26 -5.03 118.94 116.91 1wma s TRP 229 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 56.10 56.18 1wma s TRP 229 Cb 0.00 -3.56 -0.01 0.00 -0.00 0.00 0.00 33.47 29.90 1wma s TRP 229 CO 0.00 -0.97 -0.23 0.08 -0.00 0.00 0.00 176.95 175.83 1wma s VAL 230 N 3.12 1.90 -0.47 5.86 1.01 -1.26 -0.82 120.40 129.73 1wma s VAL 230 Ca 0.26 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 1wma s VAL 230 Cb -0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1wma s VAL 230 CO 0.20 0.53 1.75 -0.13 0.00 0.00 0.00 175.10 177.45 1wma s ARG 231 N -0.09 3.07 0.30 2.72 0.52 0.38 -4.38 118.95 121.48 1wma s ARG 231 Ca -0.04 0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 56.09 1wma s ARG 231 Cb -0.13 -4.25 -0.00 0.00 0.52 0.00 0.00 34.95 31.08 1wma s ARG 231 CO 0.03 -2.18 0.43 0.95 0.02 0.00 0.00 175.30 174.55 1wma s THR 232 N 7.54 0.00 0.42 0.02 -4.23 -1.24 -4.37 115.64 113.78 1wma s THR 232 Ca 0.70 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.89 1wma s THR 232 Cb -0.16 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.47 1wma s THR 232 CO 0.28 0.00 2.10 0.44 -0.54 0.00 0.00 174.62 176.89 1wma h ASP 233 N 2.20 0.00 0.01 3.99 3.32 -1.90 0.14 116.42 124.18 1wma h ASP 233 Ca -0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1wma h ASP 233 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1wma h ASP 233 CO 0.40 0.10 -0.00 -0.03 -1.72 0.00 0.00 179.24 177.98 1wma h MET 234 N 0.00 -0.01 0.00 3.56 4.05 -1.96 -3.37 114.93 117.20 1wma h MET 234 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1wma h MET 234 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1wma h MET 234 CO 0.01 0.67 -1.05 0.00 0.23 0.00 0.00 176.91 176.78 1wma n ALA 235 N -2.47 2.57 0.00 0.39 0.00 -1.12 -5.00 120.51 114.90 1wma n ALA 235 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1wma n ALA 235 Cb 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1wma n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wma n GLY 236 N 1.20 -1.10 0.08 0.00 0.00 0.48 -4.69 105.19 101.15 1wma n GLY 236 Ca -0.00 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.55 1wma n GLY 236 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wma n PRO 237 N -1.07 0.73 0.00 1.61 -0.04 -1.26 -3.55 135.00 131.42 1wma n PRO 237 Ca 0.00 -0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1wma n PRO 237 Cb 0.00 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.29 1wma n PRO 237 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wma n LYS 238 N -1.00 1.15 -1.07 0.54 4.76 -1.26 -4.94 118.16 116.33 1wma n LYS 238 Ca 0.17 -0.75 -0.31 0.00 -2.87 0.00 0.00 58.31 54.55 1wma n LYS 238 Cb 0.23 -1.48 0.12 0.00 -1.84 0.00 0.00 35.03 32.06 1wma n LYS 238 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wma s ALA 239 N -2.37 1.93 0.07 7.82 0.00 -1.23 -4.96 121.76 123.02 1wma s ALA 239 Ca 0.26 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1wma s ALA 239 Cb 0.19 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 1wma s ALA 239 CO 0.48 -2.14 1.37 1.15 0.00 0.00 0.00 175.76 176.62 1wma h THR 240 N -1.40 1.32 -3.09 0.00 2.02 -1.88 -3.41 112.91 106.47 1wma h THR 240 Ca -0.44 -1.46 -0.63 0.00 0.77 0.00 0.00 66.41 64.65 1wma h THR 240 Cb 1.25 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 69.34 1wma h THR 240 CO 0.49 0.45 -0.57 -0.54 0.37 0.00 0.00 175.52 175.72 1wma s LYS 241 N -4.25 3.06 0.75 6.66 1.02 -0.00 -4.96 119.74 122.02 1wma s LYS 241 Ca -0.13 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 1wma s LYS 241 Cb 0.07 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1wma s LYS 241 CO 0.81 0.58 1.09 -1.54 -0.92 0.00 0.00 175.35 175.36 1wma s SER 242 N -2.44 4.94 0.31 2.83 1.04 -1.26 -0.47 113.70 118.65 1wma s SER 242 Ca 0.31 1.34 0.04 0.00 0.48 0.00 0.00 55.95 58.13 1wma s SER 242 Cb -0.12 -2.13 0.66 0.00 0.10 0.00 0.00 66.02 64.52 1wma s SER 242 CO 0.24 -1.69 1.85 -0.65 0.98 0.00 0.00 173.24 173.97 1wma h PRO 243 N -0.89 0.85 -0.39 4.02 0.11 -1.91 0.40 132.00 134.18 1wma h PRO 243 Ca -0.46 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1wma h PRO 243 Cb 1.25 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1wma h PRO 243 CO 0.60 0.56 0.16 0.93 -0.21 0.00 0.00 178.00 180.04 1wma h GLU 244 N 0.88 0.32 -0.57 1.05 3.07 -1.93 -0.57 114.58 116.83 1wma h GLU 244 Ca 0.48 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.23 1wma h GLU 244 Cb 0.57 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 1wma h GLU 244 CO -0.24 0.21 0.02 0.93 -1.40 0.00 0.00 179.01 178.53 1wma h GLU 245 N 0.33 0.99 -0.28 2.33 5.08 -1.69 -3.05 114.58 118.29 1wma h GLU 245 Ca 0.18 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1wma h GLU 245 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1wma h GLU 245 CO -0.16 0.98 0.19 0.78 -1.00 0.00 0.00 179.01 179.80 1wma h GLY 246 N 0.88 0.35 2.00 -3.84 0.00 -0.44 -2.42 103.07 99.60 1wma h GLY 246 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1wma h GLY 246 CO 0.03 0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.69 1wma h ALA 247 N 1.83 1.00 -0.07 3.60 0.00 -1.00 -3.37 119.26 121.26 1wma h ALA 247 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wma h ALA 247 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wma h ALA 247 CO -0.02 0.00 0.03 0.93 0.00 0.00 0.00 179.25 180.19 1wma h GLU 248 N 0.00 0.09 -0.23 0.00 5.08 -1.50 -0.86 114.58 117.16 1wma h GLU 248 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1wma h GLU 248 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wma h GLU 248 CO 0.00 0.17 -0.01 1.15 -1.00 0.00 0.00 179.01 179.32 1wma h THR 249 N -0.01 1.26 -0.84 1.13 2.02 -1.80 -0.18 112.91 114.50 1wma h THR 249 Ca 0.02 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.36 1wma h THR 249 Cb 0.11 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 1wma h THR 249 CO -0.00 0.29 0.50 -0.65 0.37 0.00 0.00 175.52 176.02 1wma h PRO 250 N 0.18 0.83 -0.42 6.66 0.11 -1.75 -1.35 132.00 136.27 1wma h PRO 250 Ca 0.07 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1wma h PRO 250 Cb 0.43 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1wma h PRO 250 CO 0.01 0.55 -0.25 0.28 -0.21 0.00 0.00 178.00 178.38 1wma h VAL 251 N 0.85 1.28 -0.54 3.15 2.07 -1.02 -1.32 116.25 120.73 1wma h VAL 251 Ca 0.39 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 66.61 1wma h VAL 251 Cb 0.31 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 1wma h VAL 251 CO -0.22 0.48 0.04 0.22 0.02 0.00 0.00 177.57 178.10 1wma h TYR 252 N 0.73 0.04 0.00 1.57 3.20 -0.58 -1.68 116.97 120.25 1wma h TYR 252 Ca 0.09 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1wma h TYR 252 Cb 0.83 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1wma h TYR 252 CO 0.06 -0.09 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.02 1wma h LEU 253 N 0.16 0.00 -0.74 2.82 3.38 -0.95 -2.55 115.31 117.42 1wma h LEU 253 Ca 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1wma h LEU 253 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1wma h LEU 253 CO -0.42 0.39 -0.48 0.00 0.09 0.00 0.00 178.44 178.02 1wma h ALA 254 N 1.61 0.92 -0.17 1.53 0.00 -0.52 -3.34 119.26 119.29 1wma h ALA 254 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wma h ALA 254 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wma h ALA 254 CO 0.05 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1wma n LEU 255 N -3.55 2.96 -4.60 0.00 4.77 -0.70 -4.68 117.00 111.20 1wma n LEU 255 Ca -0.00 -2.65 -0.49 0.00 -0.03 0.00 0.00 56.01 52.84 1wma n LEU 255 Cb 0.58 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1wma n LEU 255 CO 0.39 0.67 0.83 0.18 -1.33 0.00 0.00 177.39 178.13 1wma n LEU 256 N -0.54 1.87 -4.74 2.23 4.77 -0.99 -4.85 117.00 114.76 1wma n LEU 256 Ca 0.14 1.13 -0.35 0.00 -0.03 0.00 0.00 56.01 56.90 1wma n LEU 256 Cb 0.62 -1.25 0.07 0.00 -2.33 0.00 0.00 43.42 40.52 1wma n LEU 256 CO 0.07 -1.07 0.84 -2.16 -1.33 0.00 0.00 177.39 173.74 1wma s PRO 257 N -0.12 2.53 0.72 3.23 0.04 -1.26 -4.90 135.00 135.23 1wma s PRO 257 Ca 0.75 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 63.50 1wma s PRO 257 Cb -0.84 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1wma s PRO 257 CO 0.50 -1.56 1.14 -2.14 0.04 0.00 0.00 177.00 174.98 1wma s PRO 258 N -3.60 2.36 0.00 0.56 0.02 -1.26 -2.44 135.00 130.64 1wma s PRO 258 Ca 0.77 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1wma s PRO 258 Cb -0.31 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1wma s PRO 258 CO 0.40 -1.61 0.00 -0.25 -0.33 0.00 0.00 177.00 175.21 1wma n ASP 259 N -2.79 0.00 -4.71 2.53 10.43 -1.26 -4.98 116.55 115.77 1wma n ASP 259 Ca 0.11 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 57.08 1wma n ASP 259 Cb 0.51 -0.52 0.03 0.00 1.84 0.00 0.00 41.12 42.98 1wma n ASP 259 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wma n ALA 260 N 0.67 1.29 0.71 2.24 0.00 -1.02 -4.95 120.51 119.44 1wma n ALA 260 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1wma n ALA 260 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 19.45 17.09 1wma n ALA 260 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wma n GLU 261 N -0.52 0.19 -3.70 0.00 1.02 -1.26 -4.96 120.64 111.42 1wma n GLU 261 Ca 0.09 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 1wma n GLU 261 Cb 0.43 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1wma n GLU 261 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wma s GLY 262 N -3.44 -0.17 0.59 0.62 0.00 -1.26 -4.47 107.32 99.18 1wma s GLY 262 Ca 0.04 -0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.47 1wma s GLY 262 CO 0.85 -0.18 1.08 2.56 0.00 0.00 0.00 173.10 177.41 1wma s PRO 263 N -3.86 3.25 -0.06 2.90 0.04 -1.26 -5.03 135.00 130.99 1wma s PRO 263 Ca 0.08 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 1wma s PRO 263 Cb -0.01 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1wma s PRO 263 CO -0.04 -0.88 0.11 -1.58 0.04 0.00 0.00 177.00 174.66 1wma s HIS 264 N -2.30 -0.10 -0.43 0.56 2.46 -1.26 -4.56 115.29 109.66 1wma s HIS 264 Ca 0.66 0.40 0.00 0.00 0.47 0.00 0.00 55.06 56.59 1wma s HIS 264 Cb -0.18 -0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.08 1wma s HIS 264 CO 0.35 -0.17 0.00 0.41 -2.47 0.00 0.00 174.74 172.86 1wma n GLY 265 N 4.52 0.69 3.97 1.59 0.00 0.84 -4.99 105.19 111.80 1wma n GLY 265 Ca -0.21 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1wma n GLY 265 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wma s GLN 266 N -1.90 2.98 -0.27 1.61 -1.52 -1.26 -4.64 119.66 114.67 1wma s GLN 266 Ca 0.00 -1.12 -0.10 0.00 -1.95 0.00 0.00 55.36 52.19 1wma s GLN 266 Cb 0.00 -2.74 -0.04 0.00 -0.22 0.00 0.00 33.01 30.01 1wma s GLN 266 CO 0.00 -0.01 0.14 0.12 -0.25 0.00 0.00 175.29 175.30 1wma s PHE 267 N -2.24 3.18 -0.06 0.91 5.36 -1.26 -0.92 117.98 122.95 1wma s PHE 267 Ca 0.46 -0.07 0.05 0.00 -0.96 0.00 0.00 56.93 56.41 1wma s PHE 267 Cb -0.09 -2.32 -0.00 0.00 -0.34 0.00 0.00 43.02 40.27 1wma s PHE 267 CO 0.31 -0.22 -0.21 0.08 -1.46 0.00 0.00 175.22 173.72 1wma s VAL 268 N 1.65 1.78 -0.00 3.12 1.01 -0.34 -0.83 120.40 126.80 1wma s VAL 268 Ca 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1wma s VAL 268 Cb -0.16 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1wma s VAL 268 CO 0.08 0.50 -0.02 -0.55 0.00 0.00 0.00 175.10 175.11 1wma s SER 269 N 0.03 0.26 -1.45 3.32 0.15 -0.33 -1.19 113.70 114.49 1wma s SER 269 Ca -0.07 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 1wma s SER 269 Cb -0.14 -0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.22 1wma s SER 269 CO 0.04 0.02 0.74 -0.62 1.20 0.00 0.00 173.24 174.62 1wma n GLU 270 N 2.99 -4.60 -1.11 5.44 -0.58 -1.26 -0.99 120.64 120.54 1wma n GLU 270 Ca -0.13 0.60 -0.04 0.00 -0.42 0.00 0.00 57.16 57.18 1wma n GLU 270 Cb 0.59 -5.42 -0.02 0.00 -0.57 0.00 0.00 31.44 26.03 1wma n GLU 270 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wma n LYS 271 N -4.22 -1.47 -5.26 3.49 5.02 -1.26 -4.97 118.16 109.48 1wma n LYS 271 Ca -0.00 0.54 -0.31 0.00 -2.02 0.00 0.00 58.31 56.52 1wma n LYS 271 Cb 0.55 -4.72 -0.16 0.00 -0.02 0.00 0.00 35.03 30.67 1wma n LYS 271 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wma s ARG 272 N -1.97 2.34 0.06 1.97 0.52 -0.16 -5.10 118.95 116.61 1wma s ARG 272 Ca 0.00 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.00 1wma s ARG 272 Cb 0.00 -2.12 -0.06 0.00 0.52 0.00 0.00 34.95 33.29 1wma s ARG 272 CO 0.00 0.48 1.30 0.08 0.02 0.00 0.00 175.30 177.18 1wma s VAL 273 N -0.42 3.75 -0.02 3.52 1.01 -1.26 -1.19 120.40 125.79 1wma s VAL 273 Ca 0.04 1.23 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 1wma s VAL 273 Cb -0.12 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1wma s VAL 273 CO 0.01 0.07 0.20 -1.61 0.00 0.00 0.00 175.10 173.78 1wma s GLU 274 N 1.40 3.48 0.25 2.72 0.41 -0.01 -4.96 118.70 122.00 1wma s GLU 274 Ca 0.61 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.66 1wma s GLU 274 Cb -0.32 -3.10 -0.09 0.00 -1.78 0.00 0.00 34.13 28.84 1wma s GLU 274 CO 0.29 0.68 1.13 -1.14 -0.49 0.00 0.00 175.26 175.73 1wma s GLN 275 N -1.75 4.59 0.00 1.61 0.74 -1.26 -4.47 119.66 119.11 1wma s GLN 275 Ca 0.26 1.84 0.21 0.00 0.05 0.00 0.00 55.36 57.71 1wma s GLN 275 Cb -0.13 -3.20 0.16 0.00 1.10 0.00 0.00 33.01 30.94 1wma s GLN 275 CO 0.16 0.11 1.15 1.87 -0.55 0.00 0.00 175.29 178.02