#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3g s ALA 59 N 0.00 2.54 0.69 4.61 0.00 -1.26 -5.01 121.76 123.33 2w3g s ALA 59 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 2w3g s ALA 59 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2w3g s ALA 59 CO 0.00 -1.12 1.25 -1.64 0.00 0.00 0.00 175.76 174.25 2w3g s MET 60 N -3.84 2.34 0.09 0.00 1.00 -1.26 -4.94 119.30 112.70 2w3g s MET 60 Ca 0.69 1.90 -0.37 0.00 0.00 0.00 0.00 55.69 57.91 2w3g s MET 60 Cb -0.22 -1.84 -0.17 0.00 0.00 0.00 0.00 34.83 32.60 2w3g s MET 60 CO 0.37 -1.71 1.29 -3.47 0.00 0.00 0.00 175.02 171.49 2w3g n ASP 61 N -2.31 1.43 -0.31 3.03 2.03 -1.26 -4.78 116.55 114.37 2w3g n ASP 61 Ca 0.15 1.13 0.04 0.00 0.52 0.00 0.00 54.79 56.63 2w3g n ASP 61 Cb 0.49 -1.16 0.24 0.00 -0.72 0.00 0.00 41.12 39.97 2w3g n ASP 61 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2w3g h PRO 62 N 4.25 1.00 -0.43 -0.67 0.11 -1.99 0.84 132.00 135.11 2w3g h PRO 62 Ca -0.47 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 2w3g h PRO 62 Cb 1.35 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2w3g h PRO 62 CO 0.75 0.66 0.05 -0.44 -0.21 0.00 0.00 178.00 178.81 2w3g h ASP 63 N 1.03 0.71 -0.32 -2.05 3.32 -2.00 -1.29 116.42 115.82 2w3g h ASP 63 Ca 0.41 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2w3g h ASP 63 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2w3g h ASP 63 CO -0.16 0.81 0.21 0.25 -1.72 0.00 0.00 179.24 178.62 2w3g h LEU 64 N 0.58 0.37 -0.50 1.55 5.85 -1.81 -1.15 115.31 120.20 2w3g h LEU 64 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2w3g h LEU 64 Cb 0.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2w3g h LEU 64 CO 0.01 0.27 0.32 -0.08 -0.34 0.00 0.00 178.44 178.63 2w3g h GLU 65 N 0.43 0.66 -0.74 1.25 4.81 -0.68 0.60 114.58 120.90 2w3g h GLU 65 Ca 0.12 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2w3g h GLU 65 Cb -0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2w3g h GLU 65 CO -0.02 0.45 0.31 0.00 -0.73 0.00 0.00 179.01 179.01 2w3g h ALA 66 N 1.17 1.14 -0.07 2.92 0.00 -1.08 -0.28 119.26 123.06 2w3g h ALA 66 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2w3g h ALA 66 Cb -0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2w3g h ALA 66 CO -0.04 0.62 -0.02 1.15 0.00 0.00 0.00 179.25 180.97 2w3g h THR 67 N 1.07 1.29 -0.72 0.00 2.02 -0.65 -1.44 112.91 114.48 2w3g h THR 67 Ca 0.25 -0.93 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2w3g h THR 67 Cb 0.18 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2w3g h THR 67 CO -0.02 0.26 0.19 -0.07 0.37 0.00 0.00 175.52 176.24 2w3g h LEU 68 N -0.21 1.09 -1.01 2.58 3.38 -0.71 0.08 115.31 120.52 2w3g h LEU 68 Ca 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2w3g h LEU 68 Cb 0.41 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2w3g h LEU 68 CO 0.01 1.03 0.26 0.03 0.09 0.00 0.00 178.44 179.85 2w3g h ARG 69 N 1.09 0.97 -0.61 1.13 3.08 -1.02 -0.23 114.38 118.78 2w3g h ARG 69 Ca 0.23 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2w3g h ARG 69 Cb 0.36 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2w3g h ARG 69 CO 0.00 0.79 0.08 0.00 -1.07 0.00 0.00 179.97 179.77 2w3g h ALA 70 N 1.33 0.98 -0.34 0.04 0.00 -0.65 -0.37 119.26 120.26 2w3g h ALA 70 Ca 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2w3g h ALA 70 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2w3g h ALA 70 CO -0.02 0.64 0.02 0.82 0.00 0.00 0.00 179.25 180.70 2w3g h ILE 71 N 0.94 1.25 -0.81 0.00 2.04 -0.59 -0.31 117.51 120.04 2w3g h ILE 71 Ca 0.19 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2w3g h ILE 71 Cb 0.44 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2w3g h ILE 71 CO 0.01 0.31 0.39 0.58 0.00 0.00 0.00 178.15 179.44 2w3g h VAL 72 N 0.41 1.25 -0.37 1.67 2.07 -0.86 -0.43 116.25 119.99 2w3g h VAL 72 Ca 0.10 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2w3g h VAL 72 Cb 0.43 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2w3g h VAL 72 CO 0.01 0.30 0.05 -0.74 0.02 0.00 0.00 177.57 177.22 2w3g h HIS 73 N 1.14 0.65 -0.67 1.57 -0.00 -0.84 -0.64 115.15 116.37 2w3g h HIS 73 Ca 0.28 -0.09 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 2w3g h HIS 73 Cb 0.12 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 2w3g h HIS 73 CO 0.01 0.67 0.20 0.77 -0.00 0.00 0.00 177.93 179.58 2w3g h SER 74 N 0.45 0.99 -0.11 3.26 0.02 -0.81 -0.20 113.55 117.15 2w3g h SER 74 Ca 0.11 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2w3g h SER 74 Cb 0.37 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2w3g h SER 74 CO 0.01 0.94 0.07 0.00 -1.14 0.00 0.00 176.83 176.71 2w3g h ALA 75 N 1.09 0.15 -0.44 3.77 0.00 -0.91 0.49 119.26 123.40 2w3g h ALA 75 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2w3g h ALA 75 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2w3g h ALA 75 CO -0.00 -0.34 0.23 1.15 0.00 0.00 0.00 179.25 180.28 2w3g h THR 76 N 0.13 1.17 -0.22 0.00 2.02 -0.91 -2.24 112.91 112.86 2w3g h THR 76 Ca 0.04 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2w3g h THR 76 Cb 0.02 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2w3g h THR 76 CO -0.01 0.18 -0.00 -1.28 0.37 0.00 0.00 175.52 174.78 2w3g h SER 77 N 0.57 0.38 1.27 4.18 0.87 -0.87 -1.35 113.55 118.61 2w3g h SER 77 Ca 0.15 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2w3g h SER 77 Cb 0.09 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2w3g h SER 77 CO -0.02 0.60 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.69 2w3g h LEU 78 N 0.15 0.00 -2.30 2.23 3.38 -0.79 -2.56 115.31 115.43 2w3g h LEU 78 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2w3g h LEU 78 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2w3g h LEU 78 CO 0.01 0.12 0.00 1.33 0.09 0.00 0.00 178.44 179.99 2w3g n VAL 79 N -3.20 0.48 -3.78 1.22 0.24 -0.85 -4.97 118.33 107.46 2w3g n VAL 79 Ca 0.01 -0.74 -0.27 0.00 -2.04 0.00 0.00 64.34 61.31 2w3g n VAL 79 Cb 0.44 1.01 0.04 0.00 -1.47 0.00 0.00 33.84 33.86 2w3g n VAL 79 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2w3g n ASP 80 N 1.41 -4.31 -4.84 -1.34 8.00 -0.96 -4.78 116.55 109.73 2w3g n ASP 80 Ca 0.18 -0.73 -0.33 0.00 0.71 0.00 0.00 54.79 54.62 2w3g n ASP 80 Cb 0.59 -4.22 -0.06 0.00 -0.02 0.00 0.00 41.12 37.40 2w3g n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w3g s ALA 81 N -3.38 3.30 0.17 2.24 0.00 -0.54 -0.27 121.76 123.28 2w3g s ALA 81 Ca 0.49 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.55 2w3g s ALA 81 Cb -0.24 -2.84 0.04 0.00 0.00 0.00 0.00 23.12 20.08 2w3g s ALA 81 CO 0.80 0.30 1.42 -0.09 0.00 0.00 0.00 175.76 178.19 2w3g h ARG 82 N 2.48 0.40 -4.98 0.00 9.65 -0.76 -3.44 114.38 117.74 2w3g h ARG 82 Ca -0.48 -0.34 -0.39 0.00 -1.10 0.00 0.00 59.98 57.66 2w3g h ARG 82 Cb 1.18 0.08 -0.25 0.00 -1.39 0.00 0.00 29.97 29.58 2w3g h ARG 82 CO 0.65 0.99 -0.78 0.71 2.80 0.00 0.00 179.97 184.34 2w3g s TYR 83 N -3.57 0.98 -0.01 2.20 2.02 -1.08 -4.44 117.35 113.45 2w3g s TYR 83 Ca -0.06 -0.31 -0.07 0.00 -0.37 0.00 0.00 57.07 56.26 2w3g s TYR 83 Cb 0.10 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 41.07 2w3g s TYR 83 CO 0.84 -0.00 0.13 0.20 -1.57 0.00 0.00 175.55 175.16 2w3g s GLY 84 N -0.93 0.02 0.03 0.71 0.00 -0.77 -1.21 107.32 105.18 2w3g s GLY 84 Ca -0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.48 2w3g s GLY 84 CO 0.01 -0.16 0.44 0.00 0.00 0.00 0.00 173.10 173.39 2w3g s ALA 85 N -1.10 -1.11 -0.03 3.20 0.00 0.23 -0.93 121.76 122.02 2w3g s ALA 85 Ca -0.12 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2w3g s ALA 85 Cb -0.06 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.37 2w3g s ALA 85 CO 0.01 -0.44 -0.03 1.41 0.00 0.00 0.00 175.76 176.71 2w3g s MET 86 N -2.25 0.57 -0.19 0.00 1.75 0.56 -1.01 119.30 118.73 2w3g s MET 86 Ca -0.07 -0.07 -0.10 0.00 -1.25 0.00 0.00 55.69 54.21 2w3g s MET 86 Cb -0.01 -0.62 -0.05 0.00 2.84 0.00 0.00 34.83 36.99 2w3g s MET 86 CO -0.01 -0.05 0.13 -1.21 -0.65 0.00 0.00 175.02 173.24 2w3g s GLU 87 N 0.68 4.10 -0.20 4.11 2.02 -0.39 -1.07 118.70 127.94 2w3g s GLU 87 Ca -0.08 -0.21 -0.09 0.00 0.02 0.00 0.00 54.97 54.61 2w3g s GLU 87 Cb -0.11 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.69 2w3g s GLU 87 CO -0.00 0.35 0.10 0.08 0.02 0.00 0.00 175.26 175.81 2w3g s VAL 88 N 0.20 5.10 0.32 2.63 1.01 -0.24 -1.40 120.40 128.02 2w3g s VAL 88 Ca 0.09 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.24 2w3g s VAL 88 Cb -0.11 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2w3g s VAL 88 CO -0.01 0.43 0.03 -1.00 0.00 0.00 0.00 175.10 174.55 2w3g s HIS 89 N 0.50 2.61 0.92 5.22 0.09 0.31 -0.33 115.29 124.61 2w3g s HIS 89 Ca 0.06 -0.36 -0.14 0.00 -0.00 0.00 0.00 55.06 54.62 2w3g s HIS 89 Cb -0.12 -1.42 0.19 0.00 -0.00 0.00 0.00 32.58 31.23 2w3g s HIS 89 CO -0.00 0.50 1.27 0.16 -0.00 0.00 0.00 174.74 176.67 2w3g s ASP 90 N -3.72 3.33 0.63 1.40 -4.77 -0.15 -4.75 116.67 108.63 2w3g s ASP 90 Ca 0.34 0.18 0.40 0.00 -3.30 0.00 0.00 52.55 50.18 2w3g s ASP 90 Cb -0.03 -0.29 2.08 0.00 -1.09 0.00 0.00 42.92 43.60 2w3g s ASP 90 CO 0.20 -2.59 2.25 0.08 0.70 0.00 0.00 175.17 175.81 2w3g h ARG 91 N -1.47 0.00 -0.66 2.11 -0.00 -1.91 -1.44 114.38 111.02 2w3g h ARG 91 Ca -0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.50 2w3g h ARG 91 Cb 1.24 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.18 2w3g h ARG 91 CO 0.39 0.01 0.07 1.04 -0.00 0.00 0.00 179.97 181.47 2w3g n GLN 92 N -3.15 4.36 -1.42 0.08 1.13 -1.26 -4.93 117.38 112.19 2w3g n GLN 92 Ca -0.02 -2.91 -0.13 0.00 -1.94 0.00 0.00 57.00 52.01 2w3g n GLN 92 Cb 0.14 -2.20 -0.05 0.00 0.11 0.00 0.00 30.24 28.24 2w3g n GLN 92 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2w3g n HIS 93 N 0.40 -0.03 -2.83 1.08 8.25 -0.54 -5.00 115.22 116.54 2w3g n HIS 93 Ca 0.29 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.34 2w3g n HIS 93 Cb 1.18 -2.35 -0.04 0.00 1.12 0.00 0.00 29.99 29.90 2w3g n HIS 93 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2w3g s ARG 94 N -3.17 4.50 0.07 -0.41 3.52 -1.26 -4.82 118.95 117.39 2w3g s ARG 94 Ca 0.00 1.21 -0.31 0.00 -0.13 0.00 0.00 55.73 56.51 2w3g s ARG 94 Cb 0.00 -3.46 -0.08 0.00 -1.56 0.00 0.00 34.95 29.85 2w3g s ARG 94 CO 0.00 -0.03 1.50 0.08 -0.81 0.00 0.00 175.30 176.04 2w3g s VAL 95 N 1.00 3.26 -0.12 7.11 1.01 -1.26 -0.98 120.40 130.42 2w3g s VAL 95 Ca 0.46 0.78 0.06 0.00 0.00 0.00 0.00 61.98 63.28 2w3g s VAL 95 Cb -0.20 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 2w3g s VAL 95 CO 0.24 0.02 -0.02 -0.11 0.00 0.00 0.00 175.10 175.22 2w3g n LEU 96 N 4.91 1.15 -3.93 3.92 7.94 0.55 -4.90 117.00 126.65 2w3g n LEU 96 Ca 0.14 -0.03 -0.10 0.00 -1.11 0.00 0.00 56.01 54.91 2w3g n LEU 96 Cb 0.42 -0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.25 2w3g n LEU 96 CO 0.60 0.44 -0.23 -1.00 -1.11 0.00 0.00 177.39 176.10 2w3g s HIS 97 N -2.26 0.18 -0.05 1.96 3.76 -1.05 -5.00 115.29 112.82 2w3g s HIS 97 Ca -0.10 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 2w3g s HIS 97 Cb 0.04 -0.13 0.03 0.00 1.11 0.00 0.00 32.58 33.62 2w3g s HIS 97 CO 0.39 -0.32 0.02 0.12 -0.85 0.00 0.00 174.74 174.11 2w3g s PHE 98 N -2.14 0.39 -0.01 1.40 5.36 -1.26 -1.07 117.98 120.65 2w3g s PHE 98 Ca -0.09 0.02 0.08 0.00 -0.96 0.00 0.00 56.93 55.98 2w3g s PHE 98 Cb -0.04 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.99 2w3g s PHE 98 CO -0.02 -0.25 -0.24 0.14 -1.46 0.00 0.00 175.22 173.38 2w3g s VAL 99 N 1.95 1.91 0.15 3.12 -7.23 -0.23 -5.00 120.40 115.07 2w3g s VAL 99 Ca 0.03 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 2w3g s VAL 99 Cb -0.12 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 35.25 2w3g s VAL 99 CO -0.04 0.51 0.37 -0.72 -0.31 0.00 0.00 175.10 174.92 2w3g s TYR 100 N -0.59 0.01 0.03 2.82 1.13 -1.26 -0.32 117.35 119.17 2w3g s TYR 100 Ca 0.09 -0.36 -0.13 0.00 -1.41 0.00 0.00 57.07 55.26 2w3g s TYR 100 Cb -0.09 0.17 0.02 0.00 -1.10 0.00 0.00 41.96 40.95 2w3g s TYR 100 CO -0.01 -0.74 0.27 -1.83 -2.51 0.00 0.00 175.55 170.74 2w3g s GLU 101 N -3.87 0.74 0.00 -3.49 -1.05 -0.11 -4.94 118.70 105.98 2w3g s GLU 101 Ca 0.08 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2w3g s GLU 101 Cb 0.02 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2w3g s GLU 101 CO -0.07 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.33 2w3g n GLY 102 N 0.78 0.72 3.12 -3.83 0.00 -1.26 -1.84 105.19 102.87 2w3g n GLY 102 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2w3g n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3g s ILE 103 N -2.00 1.71 0.79 -0.61 1.01 -1.26 -4.89 121.20 115.95 2w3g s ILE 103 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 2w3g s ILE 103 Cb 0.00 -1.52 0.06 0.00 0.01 0.00 0.00 42.46 41.02 2w3g s ILE 103 CO 0.00 0.48 1.09 1.51 0.00 0.00 0.00 174.94 178.02 2w3g s ASP 104 N 0.68 4.55 0.27 3.58 1.47 -1.26 -4.81 116.67 121.15 2w3g s ASP 104 Ca -0.12 1.41 -0.03 0.00 1.18 0.00 0.00 52.55 54.99 2w3g s ASP 104 Cb -0.16 -2.16 0.36 0.00 -0.34 0.00 0.00 42.92 40.62 2w3g s ASP 104 CO 0.03 -1.95 1.86 -0.08 0.68 0.00 0.00 175.17 175.71 2w3g h GLU 105 N -1.07 0.99 -0.37 2.11 4.81 -2.00 -1.43 114.58 117.61 2w3g h GLU 105 Ca -0.46 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 58.48 2w3g h GLU 105 Cb 1.26 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2w3g h GLU 105 CO 0.58 0.79 -0.30 1.49 -0.73 0.00 0.00 179.01 180.84 2w3g h GLU 106 N 0.97 0.80 -0.44 1.92 4.57 -1.99 -1.55 114.58 118.87 2w3g h GLU 106 Ca 0.23 -0.37 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 2w3g h GLU 106 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2w3g h GLU 106 CO -0.02 1.00 -0.17 1.15 -1.18 0.00 0.00 179.01 179.78 2w3g h THR 107 N 0.68 1.27 -0.61 0.32 2.02 -1.76 -1.01 112.91 113.83 2w3g h THR 107 Ca 0.08 -1.32 0.08 0.00 0.77 0.00 0.00 66.41 66.02 2w3g h THR 107 Cb 0.84 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 2w3g h THR 107 CO 0.07 0.45 0.27 0.58 0.37 0.00 0.00 175.52 177.26 2w3g h VAL 108 N 0.72 0.83 -0.66 3.16 2.07 -1.11 -0.15 116.25 121.12 2w3g h VAL 108 Ca 0.10 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2w3g h VAL 108 Cb 0.74 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2w3g h VAL 108 CO 0.06 0.09 0.35 0.03 0.02 0.00 0.00 177.57 178.11 2w3g h ARG 109 N 0.48 0.92 -0.34 1.57 3.08 -0.99 -1.61 114.38 117.49 2w3g h ARG 109 Ca 0.30 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2w3g h ARG 109 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2w3g h ARG 109 CO -0.26 0.71 0.12 0.00 -1.07 0.00 0.00 179.97 179.47 2w3g h ARG 110 N 0.90 0.52 -0.65 0.04 3.08 -0.54 -2.83 114.38 114.90 2w3g h ARG 110 Ca 0.23 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.20 2w3g h ARG 110 Cb 0.06 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2w3g h ARG 110 CO -0.03 0.53 0.40 0.82 -1.07 0.00 0.00 179.97 180.62 2w3g h ILE 111 N 0.40 1.09 0.00 2.04 2.04 -0.85 -3.47 117.51 118.77 2w3g h ILE 111 Ca 0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2w3g h ILE 111 Cb 0.22 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2w3g h ILE 111 CO -0.01 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.90 2w3g n GLY 112 N -1.28 1.96 3.75 5.37 0.00 -0.62 -4.92 105.19 109.45 2w3g n GLY 112 Ca 0.06 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 3.54 0.67 1.61 0.00 -1.26 -4.93 115.29 114.92 2w3g s HIS 113 Ca 0.00 1.63 -0.15 0.00 -3.00 0.00 0.00 55.06 53.54 2w3g s HIS 113 Cb 0.00 -3.32 0.01 0.00 -4.00 0.00 0.00 32.58 25.27 2w3g s HIS 113 CO 0.00 -0.71 1.11 -0.51 -1.00 0.00 0.00 174.74 173.64 2w3g s LEU 114 N -1.07 3.35 0.50 5.38 1.43 -1.26 -5.01 118.68 122.00 2w3g s LEU 114 Ca 0.47 2.01 -0.22 0.00 -1.03 0.00 0.00 54.13 55.36 2w3g s LEU 114 Cb -0.32 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.29 2w3g s LEU 114 CO 0.40 -1.72 1.18 -2.16 0.23 0.00 0.00 176.35 174.29 2w3g s PRO 115 N -4.16 3.52 0.00 1.29 0.04 -1.26 -4.94 135.00 129.49 2w3g s PRO 115 Ca 0.67 1.80 0.26 0.00 0.04 0.00 0.00 61.00 63.76 2w3g s PRO 115 Cb -0.21 -2.25 0.60 0.00 0.04 0.00 0.00 34.50 32.67 2w3g s PRO 115 CO 0.43 -0.75 1.47 1.63 0.04 0.00 0.00 177.00 179.81 2w3g n LYS 116 N -0.83 0.66 -1.55 4.56 5.02 -1.26 -4.95 118.16 119.81 2w3g n LYS 116 Ca 0.09 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 2w3g n LYS 116 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.39 0.75 3.97 0.72 0.00 -1.26 -4.60 105.19 106.16 2w3g n GLY 117 Ca 0.10 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2w3g n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w3g s LEU 118 N -0.01 2.96 0.00 0.99 1.43 -1.26 -3.07 118.68 119.72 2w3g s LEU 118 Ca 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2w3g s LEU 118 Cb 0.00 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2w3g s LEU 118 CO 0.00 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.34 2w3g n GLY 119 N -2.91 1.97 0.26 -3.19 0.00 -1.26 -2.98 105.19 97.09 2w3g n GLY 119 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.67 2w3g n GLY 119 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2w3g h VAL 120 N 0.00 1.06 -0.92 1.61 -1.51 -1.93 -1.33 116.25 113.24 2w3g h VAL 120 Ca 0.00 -0.23 0.02 0.00 -1.23 0.00 0.00 66.70 65.26 2w3g h VAL 120 Cb 0.00 0.97 -0.05 0.00 -2.13 0.00 0.00 31.29 30.08 2w3g h VAL 120 CO 0.00 0.08 0.60 0.40 -1.23 0.00 0.00 177.57 177.42 2w3g h ILE 121 N 0.15 1.19 -0.54 7.19 1.08 -1.81 -1.34 117.51 123.44 2w3g h ILE 121 Ca 0.04 -0.41 0.16 0.00 -0.39 0.00 0.00 64.86 64.25 2w3g h ILE 121 Cb 0.08 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.70 2w3g h ILE 121 CO -0.00 0.22 0.44 1.23 -0.69 0.00 0.00 178.15 179.35 2w3g h GLY 122 N 1.20 0.00 2.00 5.37 0.00 -1.16 -1.84 103.07 108.64 2w3g h GLY 122 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 2w3g h GLY 122 CO -0.10 0.00 -0.30 1.41 0.00 0.00 0.00 176.54 177.55 2w3g h LEU 123 N 0.00 0.00 -1.67 3.11 3.38 -1.27 -2.74 115.31 116.12 2w3g h LEU 123 Ca 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2w3g h LEU 123 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2w3g h LEU 123 CO -0.00 0.30 -0.17 -0.07 0.09 0.00 0.00 178.44 178.58 2w3g h LEU 124 N 0.00 0.00 0.00 1.67 3.38 -1.42 0.07 115.31 119.01 2w3g h LEU 124 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2w3g h LEU 124 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2w3g h LEU 124 CO 0.04 0.17 -0.00 0.40 0.09 0.00 0.00 178.44 179.14 2w3g h ILE 125 N 0.00 0.07 0.00 1.22 1.08 -1.62 -3.20 117.51 115.06 2w3g h ILE 125 Ca -0.00 -1.06 -0.05 0.00 -0.39 0.00 0.00 64.86 63.36 2w3g h ILE 125 Cb 0.46 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 2w3g h ILE 125 CO 0.02 0.03 -0.26 -0.33 -0.69 0.00 0.00 178.15 176.92 2w3g h GLU 126 N -1.00 0.00 -3.07 2.37 4.39 -1.51 -3.26 114.58 112.49 2w3g h GLU 126 Ca -0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 2w3g h GLU 126 Cb 0.04 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.28 2w3g h GLU 126 CO -0.00 0.26 -0.66 0.34 -1.16 0.00 0.00 179.01 177.79 2w3g s ASP 127 N -6.90 4.11 -1.19 1.42 2.15 0.01 -5.04 116.67 111.22 2w3g s ASP 127 Ca -0.03 -3.31 -0.19 0.00 0.43 0.00 0.00 52.55 49.45 2w3g s ASP 127 Cb 0.15 -1.40 -0.03 0.00 -0.30 0.00 0.00 42.92 41.35 2w3g s ASP 127 CO 0.70 -0.17 1.95 -0.81 -0.17 0.00 0.00 175.17 176.67 2w3g n PRO 128 N 2.67 2.35 -3.95 4.34 -0.04 -1.21 -4.39 135.00 134.77 2w3g n PRO 128 Ca 0.15 -2.59 -0.09 0.00 -0.04 0.00 0.00 63.50 60.92 2w3g n PRO 128 Cb 0.35 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2w3g n PRO 128 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2w3g s LYS 129 N 4.66 1.35 0.49 0.54 0.00 -1.26 -4.93 119.74 120.58 2w3g s LYS 129 Ca 0.56 -1.18 -0.23 0.00 0.00 0.00 0.00 55.97 55.12 2w3g s LYS 129 Cb 0.08 0.43 -0.07 0.00 0.00 0.00 0.00 37.83 38.27 2w3g s LYS 129 CO 0.06 -0.53 1.30 -2.14 0.00 0.00 0.00 175.35 174.03 2w3g s PRO 130 N -3.98 3.53 -0.14 1.78 0.02 -1.26 -4.57 135.00 130.37 2w3g s PRO 130 Ca 0.19 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2w3g s PRO 130 Cb 0.01 -2.44 0.03 0.00 0.02 0.00 0.00 34.50 32.12 2w3g s PRO 130 CO 0.04 -0.84 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.59 2w3g s LEU 131 N -3.09 1.52 -0.07 -5.54 2.96 0.04 -5.01 118.68 109.48 2w3g s LEU 131 Ca 0.65 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2w3g s LEU 131 Cb -0.37 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2w3g s LEU 131 CO 0.45 -0.09 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.13 2w3g s ARG 132 N 1.58 2.79 0.02 1.98 0.52 -1.26 -0.98 118.95 123.58 2w3g s ARG 132 Ca 0.04 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 2w3g s ARG 132 Cb -0.13 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 2w3g s ARG 132 CO -0.09 0.52 -0.05 -0.51 0.02 0.00 0.00 175.30 175.19 2w3g s LEU 133 N -0.46 2.13 0.08 2.53 1.43 -0.57 -5.01 118.68 118.82 2w3g s LEU 133 Ca 0.06 -0.30 0.23 0.00 -1.03 0.00 0.00 54.13 53.09 2w3g s LEU 133 Cb -0.12 -0.13 0.13 0.00 0.03 0.00 0.00 46.19 46.09 2w3g s LEU 133 CO 0.02 -0.10 1.10 0.47 0.23 0.00 0.00 176.35 178.08 2w3g n ASP 134 N 2.24 0.64 -3.24 2.29 10.43 -1.26 -1.01 116.55 126.64 2w3g n ASP 134 Ca -0.18 -0.04 -0.18 0.00 2.57 0.00 0.00 54.79 56.96 2w3g n ASP 134 Cb 0.57 0.60 -0.07 0.00 1.84 0.00 0.00 41.12 44.06 2w3g n ASP 134 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2w3g s ASP 135 N -4.18 0.68 0.25 -2.24 3.68 -1.19 -3.63 116.67 110.04 2w3g s ASP 135 Ca 0.04 -2.13 -0.04 0.00 2.13 0.00 0.00 52.55 52.55 2w3g s ASP 135 Cb 0.14 0.51 0.40 0.00 -1.45 0.00 0.00 42.92 42.52 2w3g s ASP 135 CO 0.78 -0.18 1.84 1.62 0.13 0.00 0.00 175.17 179.35 2w3g h VAL 136 N 4.88 0.98 -0.00 1.11 3.04 -1.02 -1.46 116.25 123.78 2w3g h VAL 136 Ca 0.13 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2w3g h VAL 136 Cb 1.02 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2w3g h VAL 136 CO 0.21 0.17 -0.03 -1.54 -1.01 0.00 0.00 177.57 175.37 2w3g n SER 137 N -4.66 0.14 0.14 3.17 3.41 -1.26 -2.25 113.62 112.32 2w3g n SER 137 Ca 0.14 -0.42 0.13 0.00 -0.26 0.00 0.00 58.87 58.45 2w3g n SER 137 Cb 0.24 -0.17 0.33 0.00 -0.26 0.00 0.00 64.21 64.35 2w3g n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w3g h ALA 138 N 3.59 1.00 -2.91 7.33 0.00 -1.67 -3.46 119.26 123.15 2w3g h ALA 138 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2w3g h ALA 138 Cb 0.26 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.14 2w3g h ALA 138 CO 0.00 0.00 0.66 -1.58 0.00 0.00 0.00 179.25 178.33 2w3g s HIS 139 N -3.14 2.73 0.46 0.00 2.46 -0.95 -4.91 115.29 111.93 2w3g s HIS 139 Ca 0.09 1.34 0.32 0.00 0.47 0.00 0.00 55.06 57.28 2w3g s HIS 139 Cb 0.10 -3.78 1.69 0.00 -0.13 0.00 0.00 32.58 30.46 2w3g s HIS 139 CO 0.62 -2.39 2.15 -1.00 -2.47 0.00 0.00 174.74 171.66 2w3g h PRO 140 N 2.72 0.00 -0.00 2.88 0.13 -1.90 -1.60 132.00 134.23 2w3g h PRO 140 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2w3g h PRO 140 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2w3g h PRO 140 CO 0.63 0.06 -0.06 0.00 -0.23 0.00 0.00 178.00 178.40 2w3g n ALA 141 N -2.23 2.49 -1.77 -0.56 0.00 -1.26 -4.90 120.51 112.28 2w3g n ALA 141 Ca -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2w3g n ALA 141 Cb 0.19 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 2w3g n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2w3g s SER 142 N -2.93 6.41 0.09 0.00 0.15 -0.60 -3.74 113.70 113.08 2w3g s SER 142 Ca 0.16 2.88 0.23 0.00 0.70 0.00 0.00 55.95 59.91 2w3g s SER 142 Cb 0.19 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 2w3g s SER 142 CO 0.54 -0.92 0.94 0.00 1.20 0.00 0.00 173.24 175.00 2w3g n ILE 143 N 2.98 0.31 0.00 6.45 3.06 -1.26 -4.94 119.36 125.96 2w3g n ILE 143 Ca 0.11 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 59.96 2w3g n ILE 143 Cb 0.37 -0.04 0.00 0.00 0.54 0.00 0.00 39.64 40.51 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 1.28 1.70 3.82 4.50 0.00 -1.26 -5.00 105.19 110.23 2w3g n GLY 144 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.71 3.73 0.83 1.61 0.08 -1.26 -5.08 117.98 115.19 2w3g s PHE 145 Ca 0.00 1.27 -0.12 0.00 0.12 0.00 0.00 56.93 58.20 2w3g s PHE 145 Cb 0.00 -2.51 0.09 0.00 -0.57 0.00 0.00 43.02 40.03 2w3g s PHE 145 CO 0.00 0.49 1.13 -1.25 -0.10 0.00 0.00 175.22 175.49 2w3g s PRO 146 N -1.51 1.80 0.23 0.24 0.04 -1.26 -4.93 135.00 129.60 2w3g s PRO 146 Ca 0.35 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 2w3g s PRO 146 Cb -0.18 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 2w3g s PRO 146 CO 0.20 -1.77 1.20 -2.30 0.04 0.00 0.00 177.00 174.37 2w3g n PRO 147 N -3.49 1.53 -0.02 0.56 -0.02 -1.26 -2.03 135.00 130.27 2w3g n PRO 147 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2w3g n PRO 147 Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.19 0.00 -2.35 6.00 4.02 -1.26 -4.46 117.16 120.30 2w3g n TYR 148 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.60 2w3g n TYR 148 Cb 0.29 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 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 -2.98 3.40 0.39 -0.72 2.46 -0.86 -4.74 115.29 112.24 2w3g s HIS 149 Ca 0.00 1.53 -0.27 0.00 0.47 0.00 0.00 55.06 56.79 2w3g s HIS 149 Cb 0.00 -3.43 -0.11 0.00 -0.13 0.00 0.00 32.58 28.91 2w3g s HIS 149 CO 0.00 -1.10 1.45 -2.30 -2.47 0.00 0.00 174.74 170.31 2w3g n PRO 150 N 1.52 2.50 -2.20 2.88 -0.02 -1.26 -4.91 135.00 133.53 2w3g n PRO 150 Ca 0.01 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 2w3g n PRO 150 Cb 0.44 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2w3g n PRO 150 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2w3g s PRO 151 N -2.15 3.54 0.03 0.52 0.04 -1.26 -5.04 135.00 130.68 2w3g s PRO 151 Ca 0.55 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2w3g s PRO 151 Cb -0.48 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 2w3g s PRO 151 CO 0.62 -0.74 -0.05 -1.64 0.04 0.00 0.00 177.00 175.23 2w3g s MET 152 N -2.91 0.41 0.00 4.56 -1.94 -1.26 -5.07 119.30 113.08 2w3g s MET 152 Ca 0.68 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 2w3g s MET 152 Cb -0.29 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.43 2w3g s MET 152 CO 0.34 0.01 0.00 0.54 -0.01 0.00 0.00 175.02 175.90 2w3g n ARG 153 N 1.69 0.00 -2.70 2.03 1.74 -1.26 -4.55 116.66 113.61 2w3g n ARG 153 Ca -0.22 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.52 2w3g n ARG 153 Cb 0.55 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.94 2w3g n ARG 153 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2w3g s THR 154 N -0.84 4.10 -0.10 0.55 -4.23 -1.24 -0.47 115.64 113.41 2w3g s THR 154 Ca 0.00 1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.83 2w3g s THR 154 Cb 0.00 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.25 2w3g s THR 154 CO 0.00 -0.19 0.25 0.12 -0.54 0.00 0.00 174.62 174.26 2w3g s PHE 155 N -1.98 -0.28 -0.09 3.99 2.19 -0.18 -1.26 117.98 120.37 2w3g s PHE 155 Ca 0.61 0.68 -0.02 0.00 0.33 0.00 0.00 56.93 58.54 2w3g s PHE 155 Cb -0.14 0.09 0.04 0.00 -1.31 0.00 0.00 43.02 41.69 2w3g s PHE 155 CO 0.18 -0.14 0.03 -1.17 1.83 0.00 0.00 175.22 175.95 2w3g s LEU 156 N 0.24 0.55 0.06 6.12 2.96 -0.38 -1.51 118.68 126.72 2w3g s LEU 156 Ca -0.01 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2w3g s LEU 156 Cb -0.03 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 2w3g s LEU 156 CO -0.01 -0.23 -0.13 -0.83 -1.32 0.00 0.00 176.35 173.83 2w3g s GLY 157 N 2.01 0.76 0.01 7.98 0.00 -0.16 -0.34 107.32 117.59 2w3g s GLY 157 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 2w3g s GLY 157 CO -0.05 -0.91 0.14 -1.34 0.00 0.00 0.00 173.10 170.93 2w3g s VAL 158 N -1.17 0.09 0.59 1.40 -7.23 -0.22 -0.78 120.40 113.08 2w3g s VAL 158 Ca -0.03 -0.76 -0.17 0.00 -1.81 0.00 0.00 61.98 59.22 2w3g s VAL 158 Cb -0.09 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2w3g s VAL 158 CO 0.02 -0.42 1.07 -2.16 -0.31 0.00 0.00 175.10 173.30 2w3g s PRO 159 N -1.63 3.27 -0.35 4.82 0.04 -1.26 -1.22 135.00 138.67 2w3g s PRO 159 Ca -0.13 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.11 2w3g s PRO 159 Cb -0.06 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2w3g s PRO 159 CO 0.00 -0.86 0.19 0.08 0.04 0.00 0.00 177.00 176.45 2w3g s VAL 160 N -2.30 4.59 0.09 -0.36 1.01 0.12 -4.79 120.40 118.75 2w3g s VAL 160 Ca 0.66 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2w3g s VAL 160 Cb -0.18 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2w3g s VAL 160 CO 0.35 -0.13 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 2w3g s ARG 161 N 1.58 0.76 -0.16 2.72 0.52 -1.26 -0.37 118.95 122.73 2w3g s ARG 161 Ca 0.03 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 2w3g s ARG 161 Cb -0.18 -0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.07 2w3g s ARG 161 CO 0.07 0.01 -0.11 0.08 0.02 0.00 0.00 175.30 175.36 2w3g s VAL 162 N -3.01 1.46 0.00 3.52 1.01 -0.21 -4.52 120.40 118.64 2w3g s VAL 162 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2w3g s VAL 162 Cb 0.01 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2w3g s VAL 162 CO -0.03 0.32 0.00 0.54 0.00 0.00 0.00 175.10 175.93 2w3g n ARG 163 N 4.78 0.00 0.00 2.72 1.74 -1.26 -1.10 116.66 123.55 2w3g n ARG 163 Ca -0.15 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.04 2w3g n ARG 163 Cb 0.49 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.99 2w3g n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2w3g n ASP 164 N 7.06 1.48 -4.73 0.55 10.43 -1.26 -4.95 116.55 125.14 2w3g n ASP 164 Ca 0.00 -1.17 -0.41 0.00 2.57 0.00 0.00 54.79 55.77 2w3g n ASP 164 Cb 0.00 0.51 -0.04 0.00 1.84 0.00 0.00 41.12 43.43 2w3g n ASP 164 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2w3g s GLU 165 N -2.64 4.60 -0.13 -1.24 2.12 -0.26 -5.03 118.70 116.12 2w3g s GLU 165 Ca 0.17 1.61 -0.05 0.00 0.36 0.00 0.00 54.97 57.06 2w3g s GLU 165 Cb 0.18 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2w3g s GLU 165 CO 0.64 0.06 0.05 0.45 -0.54 0.00 0.00 175.26 175.92 2w3g s SER 166 N 0.18 5.61 0.00 -1.70 0.15 -1.26 -1.05 113.70 115.63 2w3g s SER 166 Ca 0.50 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2w3g s SER 166 Cb -0.27 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2w3g s SER 166 CO 0.32 0.31 0.22 0.49 1.20 0.00 0.00 173.24 175.78 2w3g n PHE 167 N 2.60 0.00 -2.37 3.44 3.72 0.50 -4.77 117.46 120.57 2w3g n PHE 167 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2w3g n PHE 167 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.26 0.02 3.02 1.37 0.00 -1.18 -0.53 105.19 108.15 2w3g n GLY 168 Ca 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 2w3g n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w3g s THR 169 N -3.08 0.10 -0.08 2.61 -4.23 -0.49 -0.70 115.64 109.76 2w3g s THR 169 Ca 0.00 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 2w3g s THR 169 Cb 0.00 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.52 2w3g s THR 169 CO 0.00 -0.47 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.31 2w3g s LEU 170 N -1.46 1.39 0.02 4.79 2.96 -0.35 -1.26 118.68 124.76 2w3g s LEU 170 Ca -0.15 -0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 2w3g s LEU 170 Cb -0.09 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.87 2w3g s LEU 170 CO -0.00 -0.04 0.23 -0.72 -1.32 0.00 0.00 176.35 174.50 2w3g s TYR 171 N 1.11 -0.04 0.03 5.38 1.13 -0.18 -1.06 117.35 123.73 2w3g s TYR 171 Ca -0.07 -0.06 0.03 0.00 -1.41 0.00 0.00 57.07 55.56 2w3g s TYR 171 Cb -0.14 0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 2w3g s TYR 171 CO -0.01 -0.40 -0.08 -0.51 -2.51 0.00 0.00 175.55 172.03 2w3g s LEU 172 N -1.74 2.19 0.07 -3.49 2.01 0.54 -0.60 118.68 117.66 2w3g s LEU 172 Ca -0.09 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.63 2w3g s LEU 172 Cb -0.03 -0.27 -0.04 0.00 0.01 0.00 0.00 46.19 45.86 2w3g s LEU 172 CO -0.00 -0.10 -0.05 0.42 1.01 0.00 0.00 176.35 177.62 2w3g s THR 173 N -0.99 0.49 -0.99 5.49 -4.23 -0.35 -1.25 115.64 113.80 2w3g s THR 173 Ca -0.05 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 2w3g s THR 173 Cb -0.08 -1.41 -0.06 0.00 1.34 0.00 0.00 72.50 72.29 2w3g s THR 173 CO 0.00 -0.83 0.87 0.47 -0.54 0.00 0.00 174.62 174.60 2w3g n ASP 174 N 0.29 -6.69 -4.55 3.99 9.92 -0.39 -2.15 116.55 116.96 2w3g n ASP 174 Ca -0.15 -0.62 -0.55 0.00 -0.53 0.00 0.00 54.79 52.94 2w3g n ASP 174 Cb 0.60 -5.13 -0.07 0.00 -0.64 0.00 0.00 41.12 35.88 2w3g n ASP 174 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2w3g n LYS 175 N -3.02 0.67 0.28 -1.24 4.81 -1.26 -1.55 118.16 116.85 2w3g n LYS 175 Ca -0.06 0.24 0.15 0.00 -0.87 0.00 0.00 58.31 57.77 2w3g n LYS 175 Cb 0.60 -1.83 0.84 0.00 0.02 0.00 0.00 35.03 34.66 2w3g n LYS 175 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2w3g h THR 176 N 3.20 0.42 -0.25 3.15 1.35 -0.94 -2.42 112.91 117.42 2w3g h THR 176 Ca -0.49 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2w3g h THR 176 Cb 1.37 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2w3g h THR 176 CO 0.73 0.07 0.00 -0.46 -0.25 0.00 0.00 175.52 175.60 2w3g n ASN 177 N -3.55 1.42 0.00 5.36 6.94 -1.26 -4.87 115.26 119.31 2w3g n ASN 177 Ca -0.02 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 2w3g n ASN 177 Cb 0.19 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 2w3g n ASN 177 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2w3g n GLY 178 N 0.96 0.49 3.94 4.83 0.00 -0.91 -5.01 105.19 109.49 2w3g n GLY 178 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.53 3.35 0.62 1.61 -1.52 -1.26 -5.03 119.66 116.89 2w3g s GLN 179 Ca 0.00 -0.32 -0.17 0.00 -1.95 0.00 0.00 55.36 52.92 2w3g s GLN 179 Cb 0.00 -2.59 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 2w3g s GLN 179 CO 0.00 -0.04 1.14 -2.14 -0.25 0.00 0.00 175.29 174.00 2w3g s PRO 180 N -4.45 2.96 0.46 2.91 0.02 -1.26 -4.53 135.00 131.11 2w3g s PRO 180 Ca 0.44 1.56 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 2w3g s PRO 180 Cb -0.10 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 2w3g s PRO 180 CO 0.38 -1.16 1.40 -0.06 -0.33 0.00 0.00 177.00 177.23 2w3g s PHE 181 N -2.01 2.48 0.57 6.54 0.08 -1.26 -5.01 117.98 119.36 2w3g s PHE 181 Ca 0.71 1.30 0.00 0.00 0.12 0.00 0.00 56.93 59.06 2w3g s PHE 181 Cb -0.24 -3.87 0.03 0.00 -0.57 0.00 0.00 43.02 38.38 2w3g s PHE 181 CO 0.36 -2.81 0.80 -1.54 -0.10 0.00 0.00 175.22 171.92 2w3g s SER 182 N -0.61 5.24 0.22 1.36 1.04 -1.26 -4.95 113.70 114.73 2w3g s SER 182 Ca 0.62 0.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.03 2w3g s SER 182 Cb -0.42 -0.94 0.23 0.00 0.10 0.00 0.00 66.02 64.99 2w3g s SER 182 CO 0.54 -1.18 1.85 0.44 0.98 0.00 0.00 173.24 175.86 2w3g h ASP 183 N -0.00 0.74 -0.72 7.02 3.32 -1.99 -1.04 116.42 123.75 2w3g h ASP 183 Ca -0.43 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2w3g h ASP 183 Cb 1.30 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 2w3g h ASP 183 CO 0.53 0.50 0.28 0.44 -1.72 0.00 0.00 179.24 179.28 2w3g h ASP 184 N 0.88 1.00 -0.32 6.45 3.45 -1.99 -0.75 116.42 125.14 2w3g h ASP 184 Ca 0.31 -0.15 0.02 0.00 0.43 0.00 0.00 57.03 57.63 2w3g h ASP 184 Cb 0.06 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 2w3g h ASP 184 CO -0.13 0.89 0.18 0.44 -1.57 0.00 0.00 179.24 179.05 2w3g h ASP 185 N 1.06 0.28 -0.49 6.45 3.32 -1.82 -1.22 116.42 123.99 2w3g h ASP 185 Ca 0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2w3g h ASP 185 Cb 0.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2w3g h ASP 185 CO -0.02 0.21 0.32 -0.08 -1.72 0.00 0.00 179.24 177.95 2w3g h GLU 186 N 0.37 0.65 -0.70 3.56 4.81 -0.66 -0.62 114.58 121.99 2w3g h GLU 186 Ca 0.13 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2w3g h GLU 186 Cb 0.02 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2w3g h GLU 186 CO -0.07 0.43 0.40 0.28 -0.73 0.00 0.00 179.01 179.32 2w3g h VAL 187 N 0.67 1.21 -0.08 0.32 2.07 -0.88 0.31 116.25 119.86 2w3g h VAL 187 Ca 0.18 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2w3g h VAL 187 Cb -0.07 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2w3g h VAL 187 CO -0.04 0.22 0.03 0.25 0.02 0.00 0.00 177.57 178.06 2w3g h LEU 188 N 0.96 0.12 -0.99 2.57 5.85 -0.99 -1.64 115.31 121.18 2w3g h LEU 188 Ca 0.25 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2w3g h LEU 188 Cb 0.01 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2w3g h LEU 188 CO -0.04 0.26 0.06 0.58 -0.34 0.00 0.00 178.44 178.96 2w3g h VAL 189 N -0.03 1.23 -0.68 1.05 2.07 -0.88 -0.80 116.25 118.21 2w3g h VAL 189 Ca 0.03 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2w3g h VAL 189 Cb 0.18 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2w3g h VAL 189 CO -0.00 0.32 0.44 1.56 0.02 0.00 0.00 177.57 179.92 2w3g h GLN 190 N 0.75 0.91 -0.62 1.57 4.20 -0.70 0.61 115.11 121.83 2w3g h GLN 190 Ca 0.16 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2w3g h GLN 190 Cb 0.37 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2w3g h GLN 190 CO 0.01 0.61 0.08 0.00 -0.67 0.00 0.00 178.83 178.87 2w3g h ALA 191 N 1.24 0.83 -0.16 3.87 0.00 -0.72 -0.57 119.26 123.76 2w3g h ALA 191 Ca 0.25 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2w3g h ALA 191 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2w3g h ALA 191 CO -0.05 0.61 -0.41 -0.07 0.00 0.00 0.00 179.25 179.32 2w3g h LEU 192 N 0.96 0.39 -0.86 0.00 3.38 -0.89 -1.98 115.31 116.30 2w3g h LEU 192 Ca 0.19 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2w3g h LEU 192 Cb 0.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2w3g h LEU 192 CO 0.02 0.76 -0.19 0.00 0.09 0.00 0.00 178.44 179.12 2w3g h ALA 193 N 1.26 1.04 -0.77 1.53 0.00 -0.65 -0.34 119.26 121.32 2w3g h ALA 193 Ca 0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2w3g h ALA 193 Cb 0.86 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2w3g h ALA 193 CO 0.07 0.58 0.28 0.00 0.00 0.00 0.00 179.25 180.18 2w3g h ALA 194 N 1.23 1.04 -0.65 0.00 0.00 -0.78 0.48 119.26 120.58 2w3g h ALA 194 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2w3g h ALA 194 Cb 0.64 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2w3g h ALA 194 CO 0.05 0.66 0.16 0.00 0.00 0.00 0.00 179.25 180.12 2w3g h ALA 195 N 1.17 0.85 -0.85 0.00 0.00 -1.06 -1.53 119.26 117.84 2w3g h ALA 195 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2w3g h ALA 195 Cb 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2w3g h ALA 195 CO -0.02 0.57 0.54 0.00 0.00 0.00 0.00 179.25 180.34 2w3g h ALA 196 N 1.06 1.36 -0.28 0.00 0.00 -0.50 -0.93 119.26 119.97 2w3g h ALA 196 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2w3g h ALA 196 Cb 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2w3g h ALA 196 CO 0.00 0.58 0.14 0.78 0.00 0.00 0.00 179.25 180.75 2w3g h GLY 197 N 1.16 0.43 0.53 0.00 0.00 -0.47 0.42 103.07 105.13 2w3g h GLY 197 Ca 0.31 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.51 2w3g h GLY 197 CO -0.06 0.20 0.31 -2.22 0.00 0.00 0.00 176.54 174.76 2w3g h ILE 198 N 0.33 0.87 -0.00 2.60 2.04 -0.92 -0.27 117.51 122.14 2w3g h ILE 198 Ca 0.10 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2w3g h ILE 198 Cb 0.10 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2w3g h ILE 198 CO -0.01 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2w3g h ALA 199 N 1.39 0.00 -0.30 1.87 0.00 -0.72 -1.93 119.26 119.57 2w3g h ALA 199 Ca 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2w3g h ALA 199 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2w3g h ALA 199 CO -0.24 -0.45 0.08 0.28 0.00 0.00 0.00 179.25 178.92 2w3g h VAL 200 N -0.11 1.21 -0.78 0.00 2.07 -0.69 -0.99 116.25 116.97 2w3g h VAL 200 Ca 0.00 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.87 2w3g h VAL 200 Cb 0.11 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2w3g h VAL 200 CO -0.00 0.23 0.49 0.00 0.02 0.00 0.00 177.57 178.31 2w3g h ALA 201 N 0.92 1.02 0.00 1.67 0.00 -1.02 -1.30 119.26 120.54 2w3g h ALA 201 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2w3g h ALA 201 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2w3g h ALA 201 CO -0.00 0.30 -0.62 -0.91 0.00 0.00 0.00 179.25 178.02 2w3g h ASN 202 N 0.96 0.00 -0.04 0.00 4.21 -1.24 -2.66 115.58 116.80 2w3g h ASN 202 Ca 0.31 -0.03 -0.09 0.00 1.21 0.00 0.00 56.30 57.70 2w3g h ASN 202 Cb 0.02 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2w3g h ASN 202 CO -0.11 0.01 -0.33 0.00 -1.29 0.00 0.00 177.43 175.71 2w3g h ALA 203 N 2.09 0.09 -0.37 -0.83 0.00 -0.94 -2.49 119.26 116.82 2w3g h ALA 203 Ca 0.00 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2w3g h ALA 203 Cb 0.95 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2w3g h ALA 203 CO 0.00 0.17 -0.18 0.00 0.00 0.00 0.00 179.25 179.24 2w3g h ARG 204 N -0.26 -0.11 -0.63 0.00 3.08 -1.26 0.20 114.38 115.40 2w3g h ARG 204 Ca -0.03 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2w3g h ARG 204 Cb 1.02 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2w3g h ARG 204 CO 0.07 -0.07 0.39 -0.07 -1.07 0.00 0.00 179.97 179.22 2w3g h LEU 205 N -0.11 0.65 0.01 3.04 3.38 -1.56 -2.70 115.31 118.02 2w3g h LEU 205 Ca 0.18 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2w3g h LEU 205 Cb 0.39 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2w3g h LEU 205 CO -0.44 0.46 -0.15 0.22 0.09 0.00 0.00 178.44 178.62 2w3g h TYR 206 N 0.78 -0.38 0.00 1.13 3.20 -0.88 -3.51 116.97 117.31 2w3g h TYR 206 Ca 0.25 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2w3g h TYR 206 Cb -0.00 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2w3g h TYR 206 CO -0.05 -0.22 0.00 1.04 -1.64 0.00 0.00 178.16 177.29