#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3g n ASP 63 N 0.00 0.00 -0.05 0.00 2.03 -1.26 -1.27 116.55 116.00 2w3g n ASP 63 Ca 0.00 0.98 -0.08 0.00 0.52 0.00 0.00 54.79 56.21 2w3g n ASP 63 Cb 0.00 -0.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 2w3g n ASP 63 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2w3g h LEU 64 N 0.00 0.04 -0.85 -2.67 5.85 -1.99 -2.34 115.31 113.36 2w3g h LEU 64 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2w3g h LEU 64 Cb 0.00 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2w3g h LEU 64 CO 0.00 0.06 0.50 -0.08 -0.34 0.00 0.00 178.44 178.58 2w3g h GLU 65 N 0.16 0.84 -0.67 1.25 4.81 -2.00 0.22 114.58 119.18 2w3g h GLU 65 Ca 0.10 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2w3g h GLU 65 Cb 0.09 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2w3g h GLU 65 CO -0.13 0.55 0.26 0.00 -0.73 0.00 0.00 179.01 178.97 2w3g h ALA 66 N 1.44 0.87 -0.29 2.92 0.00 -0.79 -0.63 119.26 122.78 2w3g h ALA 66 Ca 0.40 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2w3g h ALA 66 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2w3g h ALA 66 CO -0.22 0.49 0.14 1.15 0.00 0.00 0.00 179.25 180.81 2w3g h THR 67 N 0.94 0.99 -0.41 0.00 2.02 -0.76 -1.43 112.91 114.26 2w3g h THR 67 Ca 0.22 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 2w3g h THR 67 Cb 0.21 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2w3g h THR 67 CO -0.02 0.05 -0.17 -0.07 0.37 0.00 0.00 175.52 175.69 2w3g h LEU 68 N 0.30 0.78 -0.95 2.58 3.38 -0.66 -1.69 115.31 119.05 2w3g h LEU 68 Ca 0.12 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2w3g h LEU 68 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2w3g h LEU 68 CO -0.09 0.95 0.21 0.03 0.09 0.00 0.00 178.44 179.64 2w3g h ARG 69 N 0.69 0.98 -0.47 1.13 3.08 -0.92 -0.44 114.38 118.43 2w3g h ARG 69 Ca 0.11 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2w3g h ARG 69 Cb 0.67 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2w3g h ARG 69 CO 0.05 0.83 0.09 0.00 -1.07 0.00 0.00 179.97 179.87 2w3g h ALA 70 N 1.28 0.62 -0.53 0.04 0.00 -0.82 0.29 119.26 120.14 2w3g h ALA 70 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2w3g h ALA 70 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2w3g h ALA 70 CO -0.01 0.33 0.22 0.82 0.00 0.00 0.00 179.25 180.61 2w3g h ILE 71 N 0.64 1.22 -0.74 0.00 1.08 -0.99 -0.25 117.51 118.46 2w3g h ILE 71 Ca 0.14 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2w3g h ILE 71 Cb 0.36 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 2w3g h ILE 71 CO 0.01 0.25 0.47 0.58 -0.69 0.00 0.00 178.15 178.77 2w3g h VAL 72 N 0.72 1.20 -0.60 1.67 2.07 -0.87 -0.73 116.25 119.71 2w3g h VAL 72 Ca 0.18 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2w3g h VAL 72 Cb 0.19 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2w3g h VAL 72 CO -0.02 0.20 0.28 -0.74 0.02 0.00 0.00 177.57 177.31 2w3g h HIS 73 N 1.00 0.87 -0.45 1.57 -0.00 -0.62 -0.68 115.15 116.84 2w3g h HIS 73 Ca 0.27 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2w3g h HIS 73 Cb -0.09 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.03 2w3g h HIS 73 CO -0.02 0.67 0.24 0.77 -0.00 0.00 0.00 177.93 179.59 2w3g h SER 74 N 0.82 0.57 -0.23 3.26 0.02 -0.68 -0.42 113.55 116.89 2w3g h SER 74 Ca 0.20 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2w3g h SER 74 Cb 0.14 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2w3g h SER 74 CO -0.02 0.51 0.13 0.00 -1.14 0.00 0.00 176.83 176.31 2w3g h ALA 75 N 1.08 0.29 -0.24 3.77 0.00 -0.87 -0.62 119.26 122.67 2w3g h ALA 75 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2w3g h ALA 75 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2w3g h ALA 75 CO -0.02 -0.18 -0.02 1.15 0.00 0.00 0.00 179.25 180.18 2w3g h THR 76 N 0.26 1.27 -0.29 0.00 2.02 -1.04 -2.45 112.91 112.67 2w3g h THR 76 Ca 0.08 -0.95 -0.16 0.00 0.77 0.00 0.00 66.41 66.15 2w3g h THR 76 Cb 0.06 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2w3g h THR 76 CO -0.01 0.30 -0.43 0.77 0.37 0.00 0.00 175.52 176.51 2w3g h SER 77 N 0.19 0.89 -0.19 4.18 4.64 -1.02 -0.94 113.55 121.29 2w3g h SER 77 Ca 0.07 -0.51 -0.17 0.00 -0.47 0.00 0.00 61.79 60.70 2w3g h SER 77 Cb 0.45 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2w3g h SER 77 CO 0.02 1.22 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.60 2w3g h LEU 78 N 0.58 0.86 -0.57 5.97 3.38 -1.12 -2.84 115.31 121.57 2w3g h LEU 78 Ca 0.03 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2w3g h LEU 78 Cb 1.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2w3g h LEU 78 CO 0.10 1.22 -0.10 0.58 0.09 0.00 0.00 178.44 180.33 2w3g h VAL 79 N 0.60 0.19 -3.97 1.22 2.07 -1.53 -3.48 116.25 111.35 2w3g h VAL 79 Ca 0.02 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.33 2w3g h VAL 79 Cb 1.11 1.88 0.09 0.00 -1.52 0.00 0.00 31.29 32.85 2w3g h VAL 79 CO 0.11 0.10 -0.41 -0.67 0.02 0.00 0.00 177.57 176.72 2w3g n ASP 80 N -3.16 -2.40 -4.92 0.57 -0.08 -0.58 -4.77 116.55 101.22 2w3g n ASP 80 Ca 0.02 -0.33 -0.29 0.00 -1.51 0.00 0.00 54.79 52.68 2w3g n ASP 80 Cb 0.48 -2.94 -0.04 0.00 2.34 0.00 0.00 41.12 40.97 2w3g n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2w3g s ALA 81 N -3.19 3.80 0.15 -1.67 0.00 -0.46 -0.33 121.76 120.05 2w3g s ALA 81 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2w3g s ALA 81 Cb -0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 2w3g s ALA 81 CO 0.38 0.49 1.34 -0.09 0.00 0.00 0.00 175.76 177.88 2w3g h ARG 82 N 2.21 0.30 -5.07 0.00 2.43 -0.97 -3.44 114.38 109.85 2w3g h ARG 82 Ca -0.47 -0.33 -0.42 0.00 -0.81 0.00 0.00 59.98 57.95 2w3g h ARG 82 Cb 1.18 0.09 -0.27 0.00 -0.42 0.00 0.00 29.97 30.56 2w3g h ARG 82 CO 0.69 1.03 -0.79 0.71 -1.51 0.00 0.00 179.97 180.10 2w3g s TYR 83 N -3.23 1.06 0.00 2.20 2.02 -1.11 -4.32 117.35 113.96 2w3g s TYR 83 Ca -0.04 -0.28 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 2w3g s TYR 83 Cb 0.09 -0.65 -0.00 0.00 -0.40 0.00 0.00 41.96 41.00 2w3g s TYR 83 CO 0.85 0.00 0.10 0.20 -1.57 0.00 0.00 175.55 175.13 2w3g s GLY 84 N -0.73 0.08 0.11 0.71 0.00 -0.82 -1.51 107.32 105.16 2w3g s GLY 84 Ca 0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.38 2w3g s GLY 84 CO 0.00 -0.32 0.40 0.00 0.00 0.00 0.00 173.10 173.19 2w3g s ALA 85 N -1.31 -0.94 -0.02 3.20 0.00 0.54 -0.91 121.76 122.32 2w3g s ALA 85 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2w3g s ALA 85 Cb -0.08 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.71 2w3g s ALA 85 CO 0.01 -0.62 -0.01 1.41 0.00 0.00 0.00 175.76 176.55 2w3g s MET 86 N -3.63 0.33 -0.09 0.00 1.75 0.37 -0.78 119.30 117.25 2w3g s MET 86 Ca 0.02 0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.47 2w3g s MET 86 Cb 0.02 -0.46 -0.03 0.00 2.84 0.00 0.00 34.83 37.20 2w3g s MET 86 CO -0.11 -0.09 -0.06 -1.83 -0.65 0.00 0.00 175.02 172.29 2w3g s GLU 87 N 0.77 3.01 -0.09 4.11 4.04 -0.59 -1.79 118.70 128.16 2w3g s GLU 87 Ca -0.08 -0.53 0.04 0.00 0.04 0.00 0.00 54.97 54.44 2w3g s GLU 87 Cb -0.11 -2.69 -0.00 0.00 0.02 0.00 0.00 34.13 31.35 2w3g s GLU 87 CO -0.01 0.55 -0.24 0.08 -1.84 0.00 0.00 175.26 173.81 2w3g s VAL 88 N -0.50 2.01 0.24 1.83 1.01 -0.28 -1.04 120.40 123.66 2w3g s VAL 88 Ca 0.08 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.15 2w3g s VAL 88 Cb -0.12 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2w3g s VAL 88 CO 0.02 0.55 -0.18 -1.38 0.00 0.00 0.00 175.10 174.11 2w3g s HIS 89 N 0.23 2.03 0.58 5.22 -3.43 0.08 -0.16 115.29 119.84 2w3g s HIS 89 Ca -0.15 -0.44 -0.07 0.00 -0.80 0.00 0.00 55.06 53.61 2w3g s HIS 89 Cb -0.17 -0.91 0.13 0.00 -1.43 0.00 0.00 32.58 30.19 2w3g s HIS 89 CO 0.07 0.54 0.78 -0.40 -2.00 0.00 0.00 174.74 173.74 2w3g n ASP 90 N -0.41 0.40 0.11 7.38 3.85 0.05 -4.78 116.55 123.15 2w3g n ASP 90 Ca -0.07 -1.49 0.11 0.00 -0.71 0.00 0.00 54.79 52.63 2w3g n ASP 90 Cb 0.60 -0.57 0.46 0.00 -1.35 0.00 0.00 41.12 40.26 2w3g n ASP 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2w3g n ARG 91 N -2.59 0.17 -0.67 0.11 1.74 -1.26 -1.21 116.66 112.95 2w3g n ARG 91 Ca 0.11 0.38 0.08 0.00 -0.77 0.00 0.00 57.85 57.65 2w3g n ARG 91 Cb 0.38 -1.81 0.35 0.00 -1.02 0.00 0.00 32.46 30.36 2w3g n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2w3g n GLN 92 N -2.13 4.01 -1.53 5.56 0.00 -1.26 -4.96 117.38 117.08 2w3g n GLN 92 Ca 0.03 -2.95 -0.12 0.00 0.00 0.00 0.00 57.00 53.96 2w3g n GLN 92 Cb 0.23 -2.00 -0.04 0.00 0.00 0.00 0.00 30.24 28.43 2w3g n GLN 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2w3g n HIS 93 N 0.61 -0.12 -2.64 2.61 8.25 -0.35 -5.01 115.22 118.58 2w3g n HIS 93 Ca 0.25 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.31 2w3g n HIS 93 Cb 0.99 -2.33 -0.05 0.00 1.12 0.00 0.00 29.99 29.72 2w3g n HIS 93 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2w3g s ARG 94 N -3.34 4.72 -0.14 -0.41 0.52 -1.26 -4.77 118.95 114.27 2w3g s ARG 94 Ca 0.00 1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 56.51 2w3g s ARG 94 Cb 0.00 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 2w3g s ARG 94 CO 0.00 0.35 1.11 0.08 0.02 0.00 0.00 175.30 176.86 2w3g s VAL 95 N -1.24 4.53 -0.20 3.52 1.01 -1.26 -0.77 120.40 125.99 2w3g s VAL 95 Ca 0.44 1.83 0.11 0.00 0.00 0.00 0.00 61.98 64.36 2w3g s VAL 95 Cb -0.27 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.70 2w3g s VAL 95 CO 0.35 -0.07 0.03 0.18 0.00 0.00 0.00 175.10 175.59 2w3g n LEU 96 N 5.69 1.22 -3.82 3.92 4.77 0.78 -4.94 117.00 124.62 2w3g n LEU 96 Ca 0.11 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 2w3g n LEU 96 Cb 0.47 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 2w3g n LEU 96 CO 0.54 0.66 -0.19 -1.00 -1.33 0.00 0.00 177.39 176.06 2w3g s HIS 97 N -2.51 -0.17 -0.19 -1.77 3.76 -1.01 -4.99 115.29 108.40 2w3g s HIS 97 Ca -0.19 0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 55.10 2w3g s HIS 97 Cb 0.07 0.06 0.07 0.00 1.11 0.00 0.00 32.58 33.89 2w3g s HIS 97 CO 0.75 -0.08 0.14 0.12 -0.85 0.00 0.00 174.74 174.82 2w3g s PHE 98 N 0.10 0.01 0.08 1.40 5.36 -1.26 -1.13 117.98 122.55 2w3g s PHE 98 Ca -0.00 -0.12 0.09 0.00 -0.96 0.00 0.00 56.93 55.94 2w3g s PHE 98 Cb -0.01 -0.57 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2w3g s PHE 98 CO 0.00 -0.55 -0.24 0.14 -1.46 0.00 0.00 175.22 173.11 2w3g s VAL 99 N 2.21 1.96 0.20 3.12 -7.23 -0.74 -4.99 120.40 114.94 2w3g s VAL 99 Ca 0.04 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 2w3g s VAL 99 Cb -0.16 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.10 2w3g s VAL 99 CO -0.11 0.15 0.60 -0.72 -0.31 0.00 0.00 175.10 174.72 2w3g s TYR 100 N -0.96 -0.30 0.06 2.82 1.13 -1.26 -0.48 117.35 118.36 2w3g s TYR 100 Ca 0.10 -0.03 -0.13 0.00 -1.41 0.00 0.00 57.07 55.60 2w3g s TYR 100 Cb -0.10 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 2w3g s TYR 100 CO 0.04 -0.97 0.29 -1.83 -2.51 0.00 0.00 175.55 170.56 2w3g s GLU 101 N -3.84 0.84 0.00 -3.49 -1.05 -0.08 -4.94 118.70 106.13 2w3g s GLU 101 Ca 0.06 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 2w3g s GLU 101 Cb -0.02 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2w3g s GLU 101 CO -0.04 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.30 2w3g n GLY 102 N 0.42 0.71 3.26 -3.83 0.00 -1.26 -1.94 105.19 102.55 2w3g n GLY 102 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2w3g n GLY 102 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2w3g s ILE 103 N -2.00 2.33 0.58 -0.61 2.07 -1.26 -4.88 121.20 117.42 2w3g s ILE 103 Ca 0.00 -0.92 -0.18 0.00 -1.41 0.00 0.00 60.65 58.13 2w3g s ILE 103 Cb 0.00 -1.91 -0.04 0.00 0.13 0.00 0.00 42.46 40.63 2w3g s ILE 103 CO 0.00 0.55 1.14 1.51 -1.91 0.00 0.00 174.94 176.23 2w3g s ASP 104 N 0.33 5.50 0.27 4.50 1.47 -1.26 -4.87 116.67 122.61 2w3g s ASP 104 Ca -0.16 2.17 -0.01 0.00 1.18 0.00 0.00 52.55 55.72 2w3g s ASP 104 Cb -0.17 -2.58 0.46 0.00 -0.34 0.00 0.00 42.92 40.29 2w3g s ASP 104 CO 0.08 -1.37 1.85 -0.08 0.68 0.00 0.00 175.17 176.33 2w3g h GLU 105 N 0.90 0.99 -0.66 2.11 4.57 -2.00 -1.83 114.58 118.66 2w3g h GLU 105 Ca -0.49 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.63 2w3g h GLU 105 Cb 1.26 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 2w3g h GLU 105 CO 0.56 0.66 0.41 0.93 -1.18 0.00 0.00 179.01 180.38 2w3g h GLU 106 N 1.02 0.89 -0.53 1.92 5.08 -1.99 -1.04 114.58 119.92 2w3g h GLU 106 Ca 0.45 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.65 2w3g h GLU 106 Cb 0.34 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2w3g h GLU 106 CO -0.23 0.62 -0.01 1.15 -1.00 0.00 0.00 179.01 179.55 2w3g h THR 107 N 0.89 1.26 -0.45 1.13 2.02 -1.80 -1.19 112.91 114.77 2w3g h THR 107 Ca 0.24 -1.12 0.09 0.00 0.77 0.00 0.00 66.41 66.39 2w3g h THR 107 Cb -0.05 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 2w3g h THR 107 CO -0.05 0.40 -0.00 0.58 0.37 0.00 0.00 175.52 176.82 2w3g h VAL 108 N 0.82 0.64 -0.87 3.16 2.07 -0.97 -1.02 116.25 120.09 2w3g h VAL 108 Ca 0.15 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2w3g h VAL 108 Cb 0.54 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2w3g h VAL 108 CO 0.03 0.02 0.57 0.03 0.02 0.00 0.00 177.57 178.24 2w3g h ARG 109 N 0.11 1.10 -0.75 1.57 3.08 -0.89 -2.11 114.38 116.48 2w3g h ARG 109 Ca 0.23 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2w3g h ARG 109 Cb 0.33 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2w3g h ARG 109 CO -0.38 0.73 0.32 0.00 -1.07 0.00 0.00 179.97 179.57 2w3g h ARG 110 N 1.13 1.11 -0.81 0.04 3.08 -0.28 -2.78 114.38 115.87 2w3g h ARG 110 Ca 0.33 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2w3g h ARG 110 Cb -0.07 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 2w3g h ARG 110 CO -0.09 0.89 0.44 0.82 -1.07 0.00 0.00 179.97 180.96 2w3g h ILE 111 N 1.08 1.24 0.00 2.04 2.04 -0.74 -3.46 117.51 119.70 2w3g h ILE 111 Ca 0.25 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2w3g h ILE 111 Cb 0.18 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2w3g h ILE 111 CO -0.03 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.01 2w3g n GLY 112 N -1.09 1.75 3.77 5.37 0.00 -0.84 -4.92 105.19 109.22 2w3g n GLY 112 Ca 0.08 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2w3g n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2w3g s HIS 113 N 0.00 2.75 0.64 1.61 0.00 -1.26 -4.91 115.29 114.13 2w3g s HIS 113 Ca 0.00 1.53 -0.15 0.00 -3.00 0.00 0.00 55.06 53.44 2w3g s HIS 113 Cb 0.00 -3.37 -0.01 0.00 -4.00 0.00 0.00 32.58 25.21 2w3g s HIS 113 CO 0.00 -1.62 1.10 -0.51 -1.00 0.00 0.00 174.74 172.71 2w3g s LEU 114 N -3.40 3.41 0.61 5.38 1.43 -1.26 -5.01 118.68 119.84 2w3g s LEU 114 Ca 0.68 1.95 -0.18 0.00 -1.03 0.00 0.00 54.13 55.55 2w3g s LEU 114 Cb -0.27 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.37 2w3g s LEU 114 CO 0.32 -1.52 1.18 -2.16 0.23 0.00 0.00 176.35 174.40 2w3g s PRO 115 N -4.10 2.94 0.00 1.29 0.04 -1.26 -4.93 135.00 128.97 2w3g s PRO 115 Ca 0.66 1.72 0.21 0.00 0.04 0.00 0.00 61.00 63.63 2w3g s PRO 115 Cb -0.19 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2w3g s PRO 115 CO 0.41 -1.20 1.04 1.63 0.04 0.00 0.00 177.00 178.91 2w3g n LYS 116 N -1.75 1.25 -1.64 4.56 5.02 -1.26 -4.93 118.16 119.41 2w3g n LYS 116 Ca 0.13 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 2w3g n LYS 116 Cb 0.50 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2w3g n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3g n GLY 117 N 1.38 0.64 1.48 0.72 0.00 -1.26 -4.87 105.19 103.28 2w3g n GLY 117 Ca 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2w3g n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w3g n LEU 118 N -0.62 0.00 0.00 0.99 4.77 -1.26 -2.50 117.00 118.38 2w3g n LEU 118 Ca 0.00 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2w3g n LEU 118 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2w3g n LEU 118 CO 0.00 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 2w3g n GLY 119 N 2.39 3.28 0.18 -0.72 0.00 -1.26 -1.75 105.19 107.31 2w3g n GLY 119 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2w3g n GLY 119 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w3g h VAL 120 N 0.00 1.19 -0.30 1.61 2.07 -1.92 -1.46 116.25 117.44 2w3g h VAL 120 Ca 0.00 -1.50 -0.17 0.00 0.82 0.00 0.00 66.70 65.85 2w3g h VAL 120 Cb 0.00 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2w3g h VAL 120 CO 0.00 0.41 -0.48 0.40 0.02 0.00 0.00 177.57 177.92 2w3g h ILE 121 N 0.00 1.28 -0.94 4.57 1.08 -1.67 -2.22 117.51 119.62 2w3g h ILE 121 Ca -0.00 -1.67 0.02 0.00 -0.39 0.00 0.00 64.86 62.81 2w3g h ILE 121 Cb 0.80 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 2w3g h ILE 121 CO 0.05 0.54 0.62 1.23 -0.69 0.00 0.00 178.15 179.91 2w3g h GLY 122 N 0.82 1.33 0.95 5.37 0.00 -0.73 -1.07 103.07 109.73 2w3g h GLY 122 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.89 2w3g h GLY 122 CO 0.11 0.46 0.27 -2.00 0.00 0.00 0.00 176.54 175.38 2w3g h LEU 123 N 1.24 0.46 -1.52 3.11 6.46 -1.07 -0.39 115.31 123.60 2w3g h LEU 123 Ca 0.35 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 58.05 2w3g h LEU 123 Cb -0.10 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2w3g h LEU 123 CO -0.08 0.33 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.75 2w3g h LEU 124 N 0.56 0.00 -0.04 2.25 3.38 -0.69 0.15 115.31 120.91 2w3g h LEU 124 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 2w3g h LEU 124 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2w3g h LEU 124 CO -0.06 0.25 -0.54 0.40 0.09 0.00 0.00 178.44 178.58 2w3g h ILE 125 N 0.00 1.41 -0.49 1.22 2.04 -0.81 -2.83 117.51 118.04 2w3g h ILE 125 Ca -0.00 -1.96 -0.06 0.00 1.00 0.00 0.00 64.86 63.83 2w3g h ILE 125 Cb 0.48 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2w3g h ILE 125 CO 0.03 0.58 0.07 -0.33 0.00 0.00 0.00 178.15 178.50 2w3g h GLU 126 N -0.04 0.82 -2.88 2.37 5.08 -0.63 -3.37 114.58 115.94 2w3g h GLU 126 Ca -0.06 -0.23 -0.61 0.00 -1.00 0.00 0.00 59.36 57.47 2w3g h GLU 126 Cb 1.23 -0.09 -0.40 0.00 0.50 0.00 0.00 28.75 29.98 2w3g h GLU 126 CO 0.11 0.83 -0.75 0.34 -1.00 0.00 0.00 179.01 178.54 2w3g s ASP 127 N -6.24 3.43 -0.69 1.42 2.15 0.47 -5.08 116.67 112.13 2w3g s ASP 127 Ca -0.13 -2.98 -0.26 0.00 0.43 0.00 0.00 52.55 49.62 2w3g s ASP 127 Cb 0.11 -1.03 -0.02 0.00 -0.30 0.00 0.00 42.92 41.68 2w3g s ASP 127 CO 0.81 -0.21 1.80 -2.16 -0.17 0.00 0.00 175.17 175.24 2w3g s PRO 128 N -0.09 2.71 0.15 4.34 0.04 -1.07 -4.50 135.00 136.59 2w3g s PRO 128 Ca 0.22 0.29 -0.20 0.00 0.04 0.00 0.00 61.00 61.35 2w3g s PRO 128 Cb -0.14 -4.52 0.05 0.00 0.04 0.00 0.00 34.50 29.93 2w3g s PRO 128 CO -0.08 -2.77 0.53 -1.59 0.04 0.00 0.00 177.00 173.13 2w3g s LYS 129 N 6.82 1.23 0.45 4.56 -2.85 -1.26 -4.88 119.74 123.81 2w3g s LYS 129 Ca 0.63 -0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 54.75 2w3g s LYS 129 Cb -0.11 0.54 -0.08 0.00 -2.06 0.00 0.00 37.83 36.13 2w3g s LYS 129 CO 0.15 -0.52 1.40 -2.14 0.10 0.00 0.00 175.35 174.34 2w3g s PRO 130 N -3.78 3.71 -0.08 1.78 0.02 -1.26 -4.66 135.00 130.73 2w3g s PRO 130 Ca 0.03 2.36 -0.00 0.00 0.02 0.00 0.00 61.00 63.40 2w3g s PRO 130 Cb -0.00 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.89 2w3g s PRO 130 CO -0.11 -0.77 -0.05 -1.17 -0.33 0.00 0.00 177.00 174.56 2w3g s LEU 131 N -2.71 1.08 -0.09 -5.54 2.96 -0.04 -5.00 118.68 109.33 2w3g s LEU 131 Ca 0.61 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 2w3g s LEU 131 Cb -0.42 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.62 2w3g s LEU 131 CO 0.54 -0.11 -0.23 -0.13 -1.32 0.00 0.00 176.35 175.10 2w3g s ARG 132 N 1.52 2.87 -0.02 1.98 0.52 -1.26 -0.93 118.95 123.63 2w3g s ARG 132 Ca -0.00 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 2w3g s ARG 132 Cb -0.13 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.15 2w3g s ARG 132 CO -0.04 0.18 -0.06 -0.51 0.02 0.00 0.00 175.30 174.88 2w3g s LEU 133 N 0.34 1.69 0.33 2.53 1.43 -0.03 -5.01 118.68 119.96 2w3g s LEU 133 Ca -0.17 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2w3g s LEU 133 Cb -0.17 -0.41 0.59 0.00 0.03 0.00 0.00 46.19 46.22 2w3g s LEU 133 CO 0.08 0.02 1.85 0.44 0.23 0.00 0.00 176.35 178.97 2w3g h ASP 134 N 6.55 0.45 -2.03 2.29 3.45 -1.87 -0.79 116.42 124.47 2w3g h ASP 134 Ca -0.34 -0.10 -0.25 0.00 0.43 0.00 0.00 57.03 56.77 2w3g h ASP 134 Cb 1.17 -0.12 -0.32 0.00 -0.56 0.00 0.00 39.33 39.51 2w3g h ASP 134 CO 0.49 0.57 -0.57 -0.62 -1.57 0.00 0.00 179.24 177.54 2w3g s ASP 135 N -6.77 0.96 0.41 6.45 3.68 -1.25 -3.63 116.67 116.52 2w3g s ASP 135 Ca -0.07 -0.35 0.07 0.00 2.13 0.00 0.00 52.55 54.34 2w3g s ASP 135 Cb 0.15 0.79 0.88 0.00 -1.45 0.00 0.00 42.92 43.29 2w3g s ASP 135 CO 0.77 -0.35 2.06 1.62 0.13 0.00 0.00 175.17 179.40 2w3g h VAL 136 N 6.22 1.10 0.00 1.11 3.04 -0.95 -1.20 116.25 125.57 2w3g h VAL 136 Ca -0.14 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 2w3g h VAL 136 Cb 1.12 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2w3g h VAL 136 CO 0.30 0.10 -0.08 0.77 -1.01 0.00 0.00 177.57 177.65 2w3g h SER 137 N 0.53 0.00 1.38 3.17 4.64 -1.85 -2.74 113.55 118.68 2w3g h SER 137 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2w3g h SER 137 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2w3g h SER 137 CO -0.03 0.08 -0.10 0.00 -0.87 0.00 0.00 176.83 175.90 2w3g n ALA 138 N -2.16 2.39 -1.86 5.18 0.00 -0.46 -4.82 120.51 118.79 2w3g n ALA 138 Ca -0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2w3g n ALA 138 Cb 0.29 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2w3g n ALA 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2w3g s HIS 139 N -3.11 3.07 0.56 0.00 2.46 -1.03 -4.93 115.29 112.31 2w3g s HIS 139 Ca 0.10 1.20 0.27 0.00 0.47 0.00 0.00 55.06 57.10 2w3g s HIS 139 Cb 0.12 -3.73 1.48 0.00 -0.13 0.00 0.00 32.58 30.32 2w3g s HIS 139 CO 0.62 -2.24 2.00 -1.35 -2.47 0.00 0.00 174.74 171.29 2w3g h PRO 140 N 4.48 0.00 -0.00 2.88 0.11 -1.90 -0.68 132.00 136.89 2w3g h PRO 140 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2w3g h PRO 140 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2w3g h PRO 140 CO 0.73 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.39 2w3g n ALA 141 N -2.49 2.67 -1.70 -0.75 0.00 -1.26 -4.93 120.51 112.05 2w3g n ALA 141 Ca 0.07 -0.17 -0.44 0.00 0.00 0.00 0.00 53.44 52.90 2w3g n ALA 141 Cb 0.55 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 2w3g n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2w3g n SER 142 N -1.46 3.52 0.02 0.00 2.88 -0.26 -3.77 113.62 114.55 2w3g n SER 142 Ca 0.07 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.80 2w3g n SER 142 Cb 0.33 -1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 62.21 2w3g n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2w3g n ILE 143 N 3.51 0.17 0.00 2.46 3.06 -1.26 -4.94 119.36 122.36 2w3g n ILE 143 Ca 0.16 -0.39 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 2w3g n ILE 143 Cb 0.32 0.09 0.00 0.00 0.54 0.00 0.00 39.64 40.59 2w3g n ILE 143 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2w3g n GLY 144 N 1.30 0.14 3.85 4.50 0.00 -1.26 -5.02 105.19 108.71 2w3g n GLY 144 Ca -0.01 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2w3g n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2w3g s PHE 145 N -2.88 3.38 0.79 1.61 0.08 -1.26 -5.04 117.98 114.66 2w3g s PHE 145 Ca 0.00 1.20 -0.12 0.00 0.12 0.00 0.00 56.93 58.13 2w3g s PHE 145 Cb 0.00 -2.53 0.06 0.00 -0.57 0.00 0.00 43.02 39.99 2w3g s PHE 145 CO 0.00 0.06 1.10 -1.25 -0.10 0.00 0.00 175.22 175.03 2w3g s PRO 146 N -3.11 2.15 0.52 0.24 0.04 -1.26 -4.97 135.00 128.61 2w3g s PRO 146 Ca 0.54 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 2w3g s PRO 146 Cb -0.10 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 2w3g s PRO 146 CO 0.19 -1.56 0.88 -2.30 0.04 0.00 0.00 177.00 174.26 2w3g n PRO 147 N -3.38 0.99 0.00 0.56 -0.02 -1.26 -2.53 135.00 129.36 2w3g n PRO 147 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2w3g n PRO 147 Cb 0.57 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2w3g n PRO 147 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2w3g n TYR 148 N -1.21 0.00 -1.99 6.00 4.02 -1.26 -4.50 117.16 118.22 2w3g n TYR 148 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.59 2w3g n TYR 148 Cb 0.44 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.58 2w3g n TYR 148 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2w3g s HIS 149 N -1.86 2.91 0.43 -0.72 2.46 -1.05 -4.72 115.29 112.74 2w3g s HIS 149 Ca 0.00 1.21 -0.25 0.00 0.47 0.00 0.00 55.06 56.49 2w3g s HIS 149 Cb 0.00 -3.83 -0.09 0.00 -0.13 0.00 0.00 32.58 28.53 2w3g s HIS 149 CO 0.00 -2.47 1.30 -2.30 -2.47 0.00 0.00 174.74 168.80 2w3g n PRO 150 N 1.23 1.98 -1.75 2.88 -0.02 -1.26 -4.94 135.00 133.12 2w3g n PRO 150 Ca 0.03 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2w3g n PRO 150 Cb 0.40 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2w3g n PRO 150 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2w3g n PRO 151 N -0.03 2.50 -3.85 0.52 -0.02 -1.26 -5.02 135.00 127.84 2w3g n PRO 151 Ca 0.06 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 2w3g n PRO 151 Cb 0.40 -2.56 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 2w3g n PRO 151 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2w3g s MET 152 N -1.93 0.24 0.00 -0.52 -1.94 -1.26 -5.06 119.30 108.83 2w3g s MET 152 Ca 0.55 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2w3g s MET 152 Cb -0.51 0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.44 2w3g s MET 152 CO 0.62 -0.04 0.00 -2.13 -0.01 0.00 0.00 175.02 173.46 2w3g n ARG 153 N 2.54 0.00 -2.30 2.03 0.63 -1.26 -4.68 116.66 113.62 2w3g n ARG 153 Ca -0.16 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.42 2w3g n ARG 153 Cb 0.58 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.48 2w3g n ARG 153 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2w3g s THR 154 N -0.57 3.25 -0.07 5.15 -4.23 -1.24 -0.37 115.64 117.56 2w3g s THR 154 Ca 0.00 0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 2w3g s THR 154 Cb 0.00 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.51 2w3g s THR 154 CO 0.00 -0.13 0.20 0.12 -0.54 0.00 0.00 174.62 174.26 2w3g s PHE 155 N -1.75 -0.21 -0.05 3.99 2.19 -0.30 -1.75 117.98 120.09 2w3g s PHE 155 Ca 0.70 0.53 -0.01 0.00 0.33 0.00 0.00 56.93 58.47 2w3g s PHE 155 Cb -0.24 0.07 0.03 0.00 -1.31 0.00 0.00 43.02 41.57 2w3g s PHE 155 CO 0.28 -0.10 0.02 -1.17 1.83 0.00 0.00 175.22 176.07 2w3g s LEU 156 N 0.12 0.53 0.02 6.12 2.96 -0.37 -0.85 118.68 127.22 2w3g s LEU 156 Ca -0.00 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2w3g s LEU 156 Cb -0.02 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 2w3g s LEU 156 CO 0.00 -0.20 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.93 2w3g s GLY 157 N 1.86 0.43 0.03 7.98 0.00 -0.11 -0.39 107.32 117.13 2w3g s GLY 157 Ca 0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 2w3g s GLY 157 CO -0.04 -0.53 -0.03 -1.34 0.00 0.00 0.00 173.10 171.16 2w3g s VAL 158 N -0.74 0.19 0.44 1.40 -7.23 -0.17 -0.86 120.40 113.43 2w3g s VAL 158 Ca -0.03 -1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 58.69 2w3g s VAL 158 Cb -0.06 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 2w3g s VAL 158 CO 0.00 -0.66 1.04 -2.16 -0.31 0.00 0.00 175.10 173.02 2w3g s PRO 159 N -2.30 3.99 -0.42 4.82 0.04 -1.26 -0.97 135.00 138.90 2w3g s PRO 159 Ca -0.08 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2w3g s PRO 159 Cb -0.04 -2.33 0.04 0.00 0.04 0.00 0.00 34.50 32.22 2w3g s PRO 159 CO -0.04 -0.28 0.30 0.08 0.04 0.00 0.00 177.00 177.10 2w3g s VAL 160 N -1.81 4.98 0.29 -0.36 1.01 0.10 -4.74 120.40 119.87 2w3g s VAL 160 Ca 0.62 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2w3g s VAL 160 Cb -0.19 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2w3g s VAL 160 CO 0.24 -0.39 0.64 0.00 0.00 0.00 0.00 175.10 175.60 2w3g s ARG 161 N 1.61 1.78 0.40 2.72 1.70 -1.26 -0.75 118.95 125.16 2w3g s ARG 161 Ca 0.04 -1.16 0.03 0.00 -0.47 0.00 0.00 55.73 54.17 2w3g s ARG 161 Cb -0.21 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2w3g s ARG 161 CO 0.07 -0.79 0.10 0.14 -1.08 0.00 0.00 175.30 173.74 2w3g s VAL 162 N -3.70 0.80 0.25 4.99 -7.23 -0.48 -4.41 120.40 110.61 2w3g s VAL 162 Ca 0.16 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2w3g s VAL 162 Cb -0.04 -2.42 0.23 0.00 0.56 0.00 0.00 36.38 34.70 2w3g s VAL 162 CO 0.09 0.00 1.83 -0.09 -0.31 0.00 0.00 175.10 176.61 2w3g h ARG 163 N 1.80 0.85 0.00 4.82 2.43 -2.02 -2.62 114.38 119.64 2w3g h ARG 163 Ca -0.38 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.66 2w3g h ARG 163 Cb 1.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2w3g h ARG 163 CO 0.62 0.56 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.81 2w3g h ASP 164 N 0.88 0.00 -3.70 -3.80 3.32 -2.04 -3.46 116.42 107.61 2w3g h ASP 164 Ca 0.41 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.52 2w3g h ASP 164 Cb 0.33 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.63 2w3g h ASP 164 CO -0.23 0.39 0.48 -0.70 -1.72 0.00 0.00 179.24 177.47 2w3g s GLU 165 N -3.82 0.57 -0.05 3.56 2.12 -0.99 -5.16 118.70 114.93 2w3g s GLU 165 Ca -0.01 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.69 2w3g s GLU 165 Cb 0.12 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.75 2w3g s GLU 165 CO 0.70 -0.13 0.03 0.45 -0.54 0.00 0.00 175.26 175.77 2w3g s SER 166 N -0.44 5.37 -0.00 -1.70 0.15 -1.26 -1.39 113.70 114.44 2w3g s SER 166 Ca 0.00 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.80 2w3g s SER 166 Cb -0.03 -1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 2w3g s SER 166 CO -0.02 0.34 0.05 0.49 1.20 0.00 0.00 173.24 175.30 2w3g n PHE 167 N 1.77 0.00 -2.10 3.44 3.72 0.07 -5.00 117.46 119.36 2w3g n PHE 167 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2w3g n PHE 167 Cb 0.53 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2w3g n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2w3g n GLY 168 N 2.01 -1.20 2.88 1.37 0.00 -1.11 -0.74 105.19 108.42 2w3g n GLY 168 Ca -0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2w3g n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w3g s THR 169 N -2.70 -0.04 -0.20 2.61 2.01 -0.21 -0.72 115.64 116.39 2w3g s THR 169 Ca 0.00 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2w3g s THR 169 Cb 0.00 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2w3g s THR 169 CO 0.00 0.06 0.02 -0.22 -0.69 0.00 0.00 174.62 173.79 2w3g s LEU 170 N 0.89 3.38 0.01 4.42 2.96 -0.14 -1.55 118.68 128.65 2w3g s LEU 170 Ca -0.07 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 2w3g s LEU 170 Cb -0.10 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.73 2w3g s LEU 170 CO -0.04 0.07 0.15 -0.72 -1.32 0.00 0.00 176.35 174.49 2w3g s TYR 171 N 0.97 0.04 0.06 5.38 1.13 0.04 -0.99 117.35 123.98 2w3g s TYR 171 Ca 0.02 -0.15 0.05 0.00 -1.41 0.00 0.00 57.07 55.58 2w3g s TYR 171 Cb -0.14 -0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 2w3g s TYR 171 CO 0.02 -0.31 -0.13 -0.51 -2.51 0.00 0.00 175.55 172.10 2w3g s LEU 172 N -1.50 2.26 0.08 -3.49 1.43 0.47 -0.33 118.68 117.60 2w3g s LEU 172 Ca -0.13 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2w3g s LEU 172 Cb -0.06 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 2w3g s LEU 172 CO 0.01 -0.08 -0.05 0.42 0.23 0.00 0.00 176.35 176.88 2w3g s THR 173 N -1.23 0.49 -1.07 5.49 -4.23 -0.57 -1.24 115.64 113.27 2w3g s THR 173 Ca -0.03 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.51 2w3g s THR 173 Cb -0.10 -1.64 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 2w3g s THR 173 CO 0.02 -0.90 0.90 0.47 -0.54 0.00 0.00 174.62 174.56 2w3g n ASP 174 N 0.01 -6.22 -4.56 3.99 8.00 -0.72 -2.58 116.55 114.46 2w3g n ASP 174 Ca -0.13 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 2w3g n ASP 174 Cb 0.61 -4.85 0.01 0.00 -0.02 0.00 0.00 41.12 36.87 2w3g n ASP 174 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2w3g n LYS 175 N -3.45 1.09 -1.46 -1.24 4.81 -1.26 -1.41 118.16 115.24 2w3g n LYS 175 Ca -0.08 0.39 -0.41 0.00 -0.87 0.00 0.00 58.31 57.34 2w3g n LYS 175 Cb 0.62 -1.87 0.01 0.00 0.02 0.00 0.00 35.03 33.81 2w3g n LYS 175 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2w3g n THR 176 N -0.60 1.81 -2.21 3.15 -1.04 0.55 -2.91 114.28 113.02 2w3g n THR 176 Ca 0.10 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.41 2w3g n THR 176 Cb 0.39 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.30 2w3g n THR 176 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2w3g n ASN 177 N 1.20 -5.69 0.00 8.00 5.03 -1.26 -2.73 115.26 119.81 2w3g n ASN 177 Ca 0.11 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.66 2w3g n ASN 177 Cb 0.40 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.39 2w3g n ASN 177 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2w3g n GLY 178 N -0.90 0.27 3.83 7.41 0.00 -1.15 -4.98 105.19 109.68 2w3g n GLY 178 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2w3g n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3g s GLN 179 N -0.93 4.07 0.52 1.61 -1.52 -1.10 -5.00 119.66 117.30 2w3g s GLN 179 Ca 0.00 0.97 -0.19 0.00 -1.95 0.00 0.00 55.36 54.19 2w3g s GLN 179 Cb 0.00 -2.20 -0.07 0.00 -0.22 0.00 0.00 33.01 30.52 2w3g s GLN 179 CO 0.00 -0.10 1.04 -1.25 -0.25 0.00 0.00 175.29 174.73 2w3g s PRO 180 N -3.54 3.67 0.43 2.91 0.04 -1.26 -4.33 135.00 132.93 2w3g s PRO 180 Ca 0.59 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 2w3g s PRO 180 Cb -0.10 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2w3g s PRO 180 CO 0.22 -0.53 1.33 -0.06 0.04 0.00 0.00 177.00 178.00 2w3g s PHE 181 N -2.12 2.67 0.42 0.56 0.08 -1.26 -5.02 117.98 113.31 2w3g s PHE 181 Ca 0.66 1.37 0.08 0.00 0.12 0.00 0.00 56.93 59.17 2w3g s PHE 181 Cb -0.16 -3.73 0.01 0.00 -0.57 0.00 0.00 43.02 38.57 2w3g s PHE 181 CO 0.25 -2.36 0.56 -1.54 -0.10 0.00 0.00 175.22 172.03 2w3g s SER 182 N -0.74 5.62 0.25 1.36 1.04 -1.26 -4.98 113.70 115.00 2w3g s SER 182 Ca 0.60 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 2w3g s SER 182 Cb -0.39 -0.66 0.35 0.00 0.10 0.00 0.00 66.02 65.41 2w3g s SER 182 CO 0.50 -0.75 1.87 -0.78 0.98 0.00 0.00 173.24 175.06 2w3g h ASP 183 N 0.67 0.93 -0.74 7.02 3.58 -1.99 -1.11 116.42 124.78 2w3g h ASP 183 Ca -0.40 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.06 2w3g h ASP 183 Cb 1.28 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.10 2w3g h ASP 183 CO 0.46 0.60 0.49 0.44 -2.88 0.00 0.00 179.24 178.35 2w3g h ASP 184 N 1.07 0.86 -0.58 2.28 3.45 -1.99 -0.25 116.42 121.26 2w3g h ASP 184 Ca 0.39 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.82 2w3g h ASP 184 Cb 0.14 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.67 2w3g h ASP 184 CO -0.16 0.63 0.35 0.44 -1.57 0.00 0.00 179.24 178.92 2w3g h ASP 185 N 1.01 0.70 -0.12 6.45 3.32 -1.78 -1.49 116.42 124.51 2w3g h ASP 185 Ca 0.27 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2w3g h ASP 185 Cb -0.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2w3g h ASP 185 CO -0.06 0.56 0.07 -0.08 -1.72 0.00 0.00 179.24 178.01 2w3g h GLU 186 N 0.78 0.16 -0.69 3.56 4.81 -0.54 -0.72 114.58 121.95 2w3g h GLU 186 Ca 0.21 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2w3g h GLU 186 Cb -0.01 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2w3g h GLU 186 CO -0.04 0.16 0.43 0.28 -0.73 0.00 0.00 179.01 179.11 2w3g h VAL 187 N 0.12 1.09 -0.36 0.32 2.07 -0.94 -1.12 116.25 117.43 2w3g h VAL 187 Ca 0.04 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2w3g h VAL 187 Cb 0.04 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2w3g h VAL 187 CO -0.01 0.15 0.16 0.25 0.02 0.00 0.00 177.57 178.15 2w3g h LEU 188 N 0.84 0.48 -0.90 2.57 5.85 -1.00 -1.90 115.31 121.25 2w3g h LEU 188 Ca 0.27 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2w3g h LEU 188 Cb 0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2w3g h LEU 188 CO -0.11 0.48 -0.24 0.58 -0.34 0.00 0.00 178.44 178.81 2w3g h VAL 189 N 0.44 1.27 -0.90 1.05 2.07 -0.96 -1.47 116.25 117.75 2w3g h VAL 189 Ca 0.12 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 2w3g h VAL 189 Cb 0.14 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2w3g h VAL 189 CO -0.01 0.41 0.49 1.56 0.02 0.00 0.00 177.57 180.04 2w3g h GLN 190 N 0.47 1.26 -0.40 1.57 4.20 -0.99 0.12 115.11 121.35 2w3g h GLN 190 Ca 0.07 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2w3g h GLN 190 Cb 0.68 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2w3g h GLN 190 CO 0.05 0.93 -0.11 0.00 -0.67 0.00 0.00 178.83 179.03 2w3g h ALA 191 N 1.27 0.56 -0.48 3.87 0.00 -0.50 -1.69 119.26 122.29 2w3g h ALA 191 Ca 0.32 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2w3g h ALA 191 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2w3g h ALA 191 CO -0.05 0.44 0.13 -0.07 0.00 0.00 0.00 179.25 179.69 2w3g h LEU 192 N 0.60 0.72 -1.41 0.00 3.38 -1.11 -2.84 115.31 114.65 2w3g h LEU 192 Ca 0.10 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2w3g h LEU 192 Cb 0.63 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2w3g h LEU 192 CO 0.04 0.75 0.42 0.00 0.09 0.00 0.00 178.44 179.75 2w3g h ALA 193 N 0.99 1.62 -0.53 1.53 0.00 -0.61 -2.08 119.26 120.18 2w3g h ALA 193 Ca 0.15 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2w3g h ALA 193 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2w3g h ALA 193 CO -0.00 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.59 2w3g h ALA 194 N 1.62 1.02 -0.37 0.00 0.00 -1.07 0.23 119.26 120.69 2w3g h ALA 194 Ca 0.25 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2w3g h ALA 194 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2w3g h ALA 194 CO -0.06 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.83 2w3g h ALA 195 N 1.18 0.49 -0.58 0.00 0.00 -1.25 -2.24 119.26 116.85 2w3g h ALA 195 Ca 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2w3g h ALA 195 Cb 0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2w3g h ALA 195 CO 0.02 0.22 0.39 0.00 0.00 0.00 0.00 179.25 179.87 2w3g h ALA 196 N 0.89 1.61 -0.55 0.00 0.00 -0.84 -2.31 119.26 118.07 2w3g h ALA 196 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2w3g h ALA 196 Cb 0.40 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2w3g h ALA 196 CO 0.01 0.35 0.36 0.78 0.00 0.00 0.00 179.25 180.75 2w3g h GLY 197 N 0.77 0.77 1.01 0.00 0.00 -0.17 0.56 103.07 106.00 2w3g h GLY 197 Ca 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2w3g h GLY 197 CO -0.05 0.29 0.28 -2.22 0.00 0.00 0.00 176.54 174.84 2w3g h ILE 198 N 0.74 1.23 -0.64 2.60 2.04 -1.08 -0.85 117.51 121.55 2w3g h ILE 198 Ca 0.20 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2w3g h ILE 198 Cb -0.07 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2w3g h ILE 198 CO -0.04 0.29 0.30 0.00 0.00 0.00 0.00 178.15 178.69 2w3g h ALA 199 N 1.12 0.83 -0.43 1.87 0.00 -0.87 -1.29 119.26 120.50 2w3g h ALA 199 Ca 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2w3g h ALA 199 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2w3g h ALA 199 CO -0.02 0.40 0.07 0.28 0.00 0.00 0.00 179.25 179.98 2w3g h VAL 200 N 0.89 1.24 -0.99 0.00 2.07 -0.73 -1.13 116.25 117.60 2w3g h VAL 200 Ca 0.22 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2w3g h VAL 200 Cb 0.14 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2w3g h VAL 200 CO -0.03 0.31 0.66 0.00 0.02 0.00 0.00 177.57 178.53 2w3g h ALA 201 N 0.94 1.28 -0.33 1.67 0.00 -0.85 -1.67 119.26 120.30 2w3g h ALA 201 Ca 0.13 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2w3g h ALA 201 Cb 0.38 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2w3g h ALA 201 CO 0.01 0.62 -0.39 -0.97 0.00 0.00 0.00 179.25 178.52 2w3g h ASN 202 N 1.32 0.90 -0.79 0.00 -1.24 -1.04 -2.93 115.58 111.81 2w3g h ASN 202 Ca 0.37 -0.49 0.07 0.00 0.71 0.00 0.00 56.30 56.97 2w3g h ASN 202 Cb -0.11 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 38.63 2w3g h ASN 202 CO -0.09 1.21 0.51 0.00 -1.29 0.00 0.00 177.43 177.77 2w3g h ALA 203 N 0.72 1.67 0.00 1.57 0.00 -0.66 -1.01 119.26 121.55 2w3g h ALA 203 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2w3g h ALA 203 Cb 0.98 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2w3g h ALA 203 CO 0.09 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 179.32 2w3g h ARG 204 N 0.81 0.00 0.02 0.00 3.08 -1.17 0.19 114.38 117.31 2w3g h ARG 204 Ca 0.35 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 2w3g h ARG 204 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2w3g h ARG 204 CO -0.12 0.21 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.91 2w3g h LEU 205 N 0.00 -0.02 -1.29 3.04 3.38 -1.06 -3.31 115.31 116.05 2w3g h LEU 205 Ca -0.00 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.40 2w3g h LEU 205 Cb 0.71 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2w3g h LEU 205 CO 0.03 0.63 0.52 1.88 0.09 0.00 0.00 178.44 181.59 2w3g h TYR 206 N -0.70 0.87 -0.03 1.13 0.05 -1.09 -3.52 116.97 113.68 2w3g h TYR 206 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2w3g h TYR 206 Cb 0.65 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2w3g h TYR 206 CO 0.15 0.47 0.00 0.00 -1.05 0.00 0.00 178.16 177.73