#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3f s ALA 59 N 0.00 2.54 0.65 4.61 0.00 -1.26 -4.99 121.76 123.30 2w3f s ALA 59 Ca 0.00 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 2w3f s ALA 59 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2w3f s ALA 59 CO 0.00 -1.16 1.17 1.41 0.00 0.00 0.00 175.76 177.19 2w3f s MET 60 N -3.36 2.72 0.08 0.00 0.00 -1.26 -4.94 119.30 112.53 2w3f s MET 60 Ca 0.77 1.67 -0.37 0.00 0.00 0.00 0.00 55.69 57.76 2w3f s MET 60 Cb -0.30 -1.91 -0.16 0.00 0.00 0.00 0.00 34.83 32.45 2w3f s MET 60 CO 0.33 -1.37 1.37 -3.47 0.00 0.00 0.00 175.02 171.89 2w3f n ASP 61 N -2.11 1.76 -0.25 1.11 2.03 -1.26 -4.79 116.55 113.05 2w3f n ASP 61 Ca 0.12 1.11 0.01 0.00 0.52 0.00 0.00 54.79 56.56 2w3f n ASP 61 Cb 0.51 -1.20 0.14 0.00 -0.72 0.00 0.00 41.12 39.84 2w3f n ASP 61 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2w3f h PRO 62 N 4.75 0.61 -0.30 -0.67 0.11 -1.97 0.55 132.00 135.08 2w3f h PRO 62 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2w3f h PRO 62 Cb 1.33 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2w3f h PRO 62 CO 0.79 0.41 0.06 -0.44 -0.21 0.00 0.00 178.00 178.60 2w3f h ASP 63 N 0.63 0.46 -0.34 -2.05 3.32 -2.00 -1.43 116.42 115.03 2w3f h ASP 63 Ca 0.35 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.19 2w3f h ASP 63 Cb 0.36 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2w3f h ASP 63 CO -0.26 0.60 0.11 0.25 -1.72 0.00 0.00 179.24 178.22 2w3f h LEU 64 N 0.31 0.11 -0.51 1.55 5.85 -1.84 -0.91 115.31 119.87 2w3f h LEU 64 Ca 0.09 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2w3f h LEU 64 Cb 0.33 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2w3f h LEU 64 CO 0.00 0.10 0.25 -0.08 -0.34 0.00 0.00 178.44 178.37 2w3f h GLU 65 N 0.25 0.74 -0.90 1.25 4.81 -0.76 0.09 114.58 120.07 2w3f h GLU 65 Ca 0.15 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2w3f h GLU 65 Cb 0.13 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2w3f h GLU 65 CO -0.16 0.62 0.60 0.00 -0.73 0.00 0.00 179.01 179.33 2w3f h ALA 66 N 1.09 1.14 -0.28 2.92 0.00 -1.09 -0.85 119.26 122.19 2w3f h ALA 66 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2w3f h ALA 66 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2w3f h ALA 66 CO -0.02 0.54 0.02 1.15 0.00 0.00 0.00 179.25 180.94 2w3f h THR 67 N 1.22 1.24 -0.55 0.00 2.02 -0.59 -1.28 112.91 114.97 2w3f h THR 67 Ca 0.33 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2w3f h THR 67 Cb -0.14 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2w3f h THR 67 CO -0.07 0.28 0.17 -0.07 0.37 0.00 0.00 175.52 176.19 2w3f h LEU 68 N 0.28 0.80 -0.56 2.58 3.38 -0.84 -0.33 115.31 120.63 2w3f h LEU 68 Ca 0.08 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2w3f h LEU 68 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2w3f h LEU 68 CO 0.01 0.80 0.10 0.03 0.09 0.00 0.00 178.44 179.47 2w3f h ARG 69 N 0.77 0.91 -0.92 1.13 3.08 -1.11 -0.53 114.38 117.71 2w3f h ARG 69 Ca 0.18 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2w3f h ARG 69 Cb 0.28 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2w3f h ARG 69 CO -0.01 0.87 0.57 0.00 -1.07 0.00 0.00 179.97 180.34 2w3f h ALA 70 N 1.00 1.27 -0.41 0.04 0.00 -1.05 -0.75 119.26 119.36 2w3f h ALA 70 Ca 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2w3f h ALA 70 Cb 0.40 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2w3f h ALA 70 CO 0.01 0.64 0.07 0.82 0.00 0.00 0.00 179.25 180.78 2w3f h ILE 71 N 1.26 1.24 -0.46 0.00 2.04 -0.60 -0.57 117.51 120.42 2w3f h ILE 71 Ca 0.33 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2w3f h ILE 71 Cb -0.08 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2w3f h ILE 71 CO -0.06 0.30 0.24 0.58 0.00 0.00 0.00 178.15 179.21 2w3f h VAL 72 N 0.54 0.98 -0.46 1.67 2.07 -0.88 -0.81 116.25 119.35 2w3f h VAL 72 Ca 0.13 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2w3f h VAL 72 Cb 0.38 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2w3f h VAL 72 CO 0.01 0.09 0.20 -0.74 0.02 0.00 0.00 177.57 177.14 2w3f h HIS 73 N 0.48 0.69 -0.43 1.57 -0.00 -0.94 -0.24 115.15 116.26 2w3f h HIS 73 Ca 0.20 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2w3f h HIS 73 Cb 0.09 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2w3f h HIS 73 CO -0.10 0.57 0.23 0.77 -0.00 0.00 0.00 177.93 179.40 2w3f h SER 74 N 0.60 0.55 -0.46 3.26 0.02 -0.93 0.14 113.55 116.74 2w3f h SER 74 Ca 0.16 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2w3f h SER 74 Cb 0.16 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2w3f h SER 74 CO -0.02 0.50 0.27 0.00 -1.14 0.00 0.00 176.83 176.45 2w3f h ALA 75 N 1.07 0.58 -0.03 3.77 0.00 -0.99 -1.05 119.26 122.62 2w3f h ALA 75 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2w3f h ALA 75 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2w3f h ALA 75 CO -0.02 0.08 -0.01 1.15 0.00 0.00 0.00 179.25 180.45 2w3f h THR 76 N 0.60 1.31 -0.42 0.00 2.02 -0.86 -2.50 112.91 113.07 2w3f h THR 76 Ca 0.16 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.43 2w3f h THR 76 Cb 0.01 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2w3f h THR 76 CO -0.03 0.25 0.19 -1.28 0.37 0.00 0.00 175.52 175.02 2w3f h SER 77 N -0.32 0.25 0.71 4.18 0.87 -0.72 -0.46 113.55 118.06 2w3f h SER 77 Ca 0.01 0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 2w3f h SER 77 Cb 0.41 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2w3f h SER 77 CO 0.00 0.19 -1.07 -0.07 -0.53 0.00 0.00 176.83 175.34 2w3f h LEU 78 N 0.38 0.27 -1.29 2.23 3.38 -1.18 -2.90 115.31 116.20 2w3f h LEU 78 Ca 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2w3f h LEU 78 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2w3f h LEU 78 CO -0.15 1.17 0.00 1.33 0.09 0.00 0.00 178.44 180.88 2w3f n VAL 79 N -3.52 0.39 -3.78 1.22 0.24 -0.95 -4.95 118.33 106.98 2w3f n VAL 79 Ca -0.05 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.34 61.58 2w3f n VAL 79 Cb 0.94 0.31 0.02 0.00 -1.47 0.00 0.00 33.84 33.63 2w3f n VAL 79 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2w3f n ASP 80 N 0.51 -1.01 -4.86 -1.34 8.00 -0.95 -4.78 116.55 112.12 2w3f n ASP 80 Ca 0.14 -0.87 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 2w3f n ASP 80 Cb 0.33 -3.76 -0.06 0.00 -0.02 0.00 0.00 41.12 37.61 2w3f n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w3f s ALA 81 N -3.74 3.52 0.11 2.24 0.00 -0.22 -0.46 121.76 123.21 2w3f s ALA 81 Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 2w3f s ALA 81 Cb -0.01 -2.53 -0.15 0.00 0.00 0.00 0.00 23.12 20.42 2w3f s ALA 81 CO 0.83 0.46 1.25 -0.09 0.00 0.00 0.00 175.76 178.22 2w3f h ARG 82 N 2.77 0.52 -5.42 0.00 9.65 -0.56 -3.44 114.38 117.90 2w3f h ARG 82 Ca -0.47 -0.57 -0.48 0.00 -1.10 0.00 0.00 59.98 57.36 2w3f h ARG 82 Cb 1.18 0.16 -0.27 0.00 -1.39 0.00 0.00 29.97 29.65 2w3f h ARG 82 CO 0.67 1.20 -0.81 0.71 2.80 0.00 0.00 179.97 184.54 2w3f s TYR 83 N -3.26 1.33 -0.00 2.20 2.02 -0.94 -4.42 117.35 114.28 2w3f s TYR 83 Ca -0.07 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 2w3f s TYR 83 Cb 0.08 -0.81 -0.00 0.00 -0.40 0.00 0.00 41.96 40.82 2w3f s TYR 83 CO 0.89 0.02 0.07 0.20 -1.57 0.00 0.00 175.55 175.16 2w3f s GLY 84 N -0.82 0.08 0.12 0.71 0.00 -0.51 -1.05 107.32 105.85 2w3f s GLY 84 Ca 0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.42 2w3f s GLY 84 CO 0.01 -0.28 0.36 0.00 0.00 0.00 0.00 173.10 173.19 2w3f s ALA 85 N -1.03 -0.79 -0.01 3.20 0.00 0.52 -0.31 121.76 123.34 2w3f s ALA 85 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2w3f s ALA 85 Cb -0.07 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.72 2w3f s ALA 85 CO 0.00 -0.61 0.02 1.41 0.00 0.00 0.00 175.76 176.58 2w3f s MET 86 N -3.80 -0.02 -0.03 0.00 1.75 0.80 -0.52 119.30 117.48 2w3f s MET 86 Ca 0.03 0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.59 2w3f s MET 86 Cb 0.02 -0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.51 2w3f s MET 86 CO -0.12 -0.10 0.01 -1.83 -0.65 0.00 0.00 175.02 172.33 2w3f s GLU 87 N 0.64 2.88 -0.03 4.11 4.04 -0.62 -1.24 118.70 128.48 2w3f s GLU 87 Ca -0.05 -0.54 0.06 0.00 0.04 0.00 0.00 54.97 54.48 2w3f s GLU 87 Cb -0.08 -2.73 -0.01 0.00 0.02 0.00 0.00 34.13 31.33 2w3f s GLU 87 CO -0.02 0.65 -0.21 0.08 -1.84 0.00 0.00 175.26 173.92 2w3f s VAL 88 N -1.04 1.68 0.32 1.83 1.01 -0.25 -1.69 120.40 122.26 2w3f s VAL 88 Ca 0.18 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2w3f s VAL 88 Cb -0.12 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 2w3f s VAL 88 CO 0.08 0.47 0.06 -1.38 0.00 0.00 0.00 175.10 174.34 2w3f s HIS 89 N -0.27 1.94 0.29 5.22 -3.43 -0.11 -0.46 115.29 118.49 2w3f s HIS 89 Ca 0.02 -0.97 -0.02 0.00 -0.80 0.00 0.00 55.06 53.29 2w3f s HIS 89 Cb -0.10 -1.26 0.06 0.00 -1.43 0.00 0.00 32.58 29.84 2w3f s HIS 89 CO 0.01 -0.01 0.40 -0.40 -2.00 0.00 0.00 174.74 172.74 2w3f n ASP 90 N -0.67 0.35 0.27 7.38 5.68 -0.53 -4.78 116.55 124.25 2w3f n ASP 90 Ca -0.02 -1.34 0.16 0.00 -0.50 0.00 0.00 54.79 53.09 2w3f n ASP 90 Cb 0.67 -0.27 0.72 0.00 -1.14 0.00 0.00 41.12 41.09 2w3f n ASP 90 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2w3f h ARG 91 N 0.00 0.00 -0.33 0.11 3.08 -1.93 -1.44 114.38 113.87 2w3f h ARG 91 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2w3f h ARG 91 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2w3f h ARG 91 CO 0.12 0.06 0.00 1.04 -1.07 0.00 0.00 179.97 180.12 2w3f n GLN 92 N -3.23 1.95 -1.35 0.04 3.00 -1.26 -4.92 117.38 111.61 2w3f n GLN 92 Ca -0.00 -1.45 -0.07 0.00 -0.01 0.00 0.00 57.00 55.47 2w3f n GLN 92 Cb 0.29 -1.37 -0.03 0.00 0.00 0.00 0.00 30.24 29.13 2w3f n GLN 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2w3f n HIS 93 N 0.67 -0.05 -3.07 1.08 8.25 -0.54 -5.01 115.22 116.54 2w3f n HIS 93 Ca 0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 2w3f n HIS 93 Cb 0.37 -1.56 -0.05 0.00 1.12 0.00 0.00 29.99 29.88 2w3f n HIS 93 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2w3f s ARG 94 N -2.86 4.32 0.15 -0.41 3.52 -1.26 -4.80 118.95 117.61 2w3f s ARG 94 Ca 0.00 0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 56.05 2w3f s ARG 94 Cb 0.00 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 2w3f s ARG 94 CO 0.00 -0.11 1.51 0.08 -0.81 0.00 0.00 175.30 175.98 2w3f s VAL 95 N 1.42 2.83 -0.13 7.11 1.01 -1.26 -1.45 120.40 129.94 2w3f s VAL 95 Ca 0.33 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.95 2w3f s VAL 95 Cb -0.17 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 32.73 2w3f s VAL 95 CO 0.14 0.05 -0.06 0.18 0.00 0.00 0.00 175.10 175.40 2w3f n LEU 96 N 3.95 1.90 -3.84 3.92 4.77 0.40 -4.94 117.00 123.16 2w3f n LEU 96 Ca 0.13 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2w3f n LEU 96 Cb 0.40 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 2w3f n LEU 96 CO 0.61 0.56 -0.12 -1.00 -1.33 0.00 0.00 177.39 176.11 2w3f s HIS 97 N -2.27 -0.03 -0.09 -1.77 3.76 -1.04 -5.02 115.29 108.82 2w3f s HIS 97 Ca -0.14 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 2w3f s HIS 97 Cb 0.04 -0.00 0.05 0.00 1.11 0.00 0.00 32.58 33.78 2w3f s HIS 97 CO 0.36 -0.30 0.20 0.12 -0.85 0.00 0.00 174.74 174.27 2w3f s PHE 98 N -1.26 -0.26 0.11 1.40 5.36 -1.26 -1.09 117.98 120.98 2w3f s PHE 98 Ca -0.13 0.70 0.09 0.00 -0.96 0.00 0.00 56.93 56.63 2w3f s PHE 98 Cb -0.07 -0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.47 2w3f s PHE 98 CO 0.02 -0.26 -0.24 0.14 -1.46 0.00 0.00 175.22 173.42 2w3f s VAL 99 N 1.85 1.97 0.18 3.12 -7.23 -0.38 -4.98 120.40 114.93 2w3f s VAL 99 Ca -0.03 -1.60 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 2w3f s VAL 99 Cb -0.12 -1.76 0.04 0.00 0.56 0.00 0.00 36.38 35.11 2w3f s VAL 99 CO -0.07 0.05 0.52 -0.72 -0.31 0.00 0.00 175.10 174.57 2w3f s TYR 100 N -1.07 -0.24 0.03 2.82 1.13 -1.26 -0.14 117.35 118.62 2w3f s TYR 100 Ca 0.10 -0.07 -0.14 0.00 -1.41 0.00 0.00 57.07 55.55 2w3f s TYR 100 Cb -0.10 0.42 0.02 0.00 -1.10 0.00 0.00 41.96 41.20 2w3f s TYR 100 CO 0.05 -0.87 0.32 -1.83 -2.51 0.00 0.00 175.55 170.70 2w3f s GLU 101 N -3.83 0.80 0.00 -3.49 -1.05 0.58 -4.96 118.70 106.74 2w3f s GLU 101 Ca 0.06 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 2w3f s GLU 101 Cb -0.01 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2w3f s GLU 101 CO -0.07 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.30 2w3f n GLY 102 N 0.67 0.93 3.45 -3.83 0.00 -1.26 -1.42 105.19 103.73 2w3f n GLY 102 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2w3f n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3f s ILE 103 N -2.01 3.83 0.82 -0.61 1.01 -1.26 -4.86 121.20 118.13 2w3f s ILE 103 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 2w3f s ILE 103 Cb 0.00 -2.71 0.09 0.00 0.01 0.00 0.00 42.46 39.85 2w3f s ILE 103 CO 0.00 0.45 1.13 1.51 0.00 0.00 0.00 174.94 178.04 2w3f s ASP 104 N 0.79 3.82 0.37 3.58 1.47 -1.26 -4.81 116.67 120.62 2w3f s ASP 104 Ca -0.01 2.07 0.15 0.00 1.18 0.00 0.00 52.55 55.95 2w3f s ASP 104 Cb -0.14 -2.55 0.71 0.00 -0.34 0.00 0.00 42.92 40.59 2w3f s ASP 104 CO 0.02 -2.50 1.78 -0.08 0.68 0.00 0.00 175.17 175.07 2w3f h GLU 105 N -1.25 0.00 -0.24 2.11 4.57 -1.99 -1.81 114.58 115.97 2w3f h GLU 105 Ca -0.44 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.65 2w3f h GLU 105 Cb 1.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2w3f h GLU 105 CO 0.47 0.40 -0.19 1.49 -1.18 0.00 0.00 179.01 179.99 2w3f h GLU 106 N 0.00 0.55 -0.83 1.92 4.57 -2.00 -1.82 114.58 116.97 2w3f h GLU 106 Ca -0.00 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2w3f h GLU 106 Cb 0.77 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 2w3f h GLU 106 CO 0.05 0.86 0.44 1.15 -1.18 0.00 0.00 179.01 180.33 2w3f h THR 107 N 0.26 1.25 -0.46 0.32 2.02 -1.87 -1.22 112.91 113.21 2w3f h THR 107 Ca 0.04 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.62 2w3f h THR 107 Cb 0.73 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2w3f h THR 107 CO 0.05 0.28 0.24 0.58 0.37 0.00 0.00 175.52 177.05 2w3f h VAL 108 N 1.17 0.99 -0.78 3.16 2.07 -1.23 -1.17 116.25 120.47 2w3f h VAL 108 Ca 0.29 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2w3f h VAL 108 Cb 0.05 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2w3f h VAL 108 CO -0.04 0.09 0.42 0.03 0.02 0.00 0.00 177.57 178.08 2w3f h ARG 109 N 0.48 1.09 -0.52 1.57 3.08 -0.79 -2.50 114.38 116.78 2w3f h ARG 109 Ca 0.19 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2w3f h ARG 109 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2w3f h ARG 109 CO -0.12 0.80 0.08 0.00 -1.07 0.00 0.00 179.97 179.66 2w3f h ARG 110 N 1.09 0.87 -0.44 0.04 3.08 -0.79 -3.09 114.38 115.14 2w3f h ARG 110 Ca 0.27 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2w3f h ARG 110 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2w3f h ARG 110 CO -0.04 0.85 0.20 0.82 -1.07 0.00 0.00 179.97 180.73 2w3f h ILE 111 N 0.75 1.19 0.00 2.04 2.04 -1.08 -3.46 117.51 118.99 2w3f h ILE 111 Ca 0.16 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2w3f h ILE 111 Cb 0.41 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2w3f h ILE 111 CO 0.01 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.98 2w3f n GLY 112 N -0.86 2.86 3.32 5.37 0.00 -0.96 -4.91 105.19 110.01 2w3f n GLY 112 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2w3f n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2w3f s HIS 113 N -2.64 -0.49 0.76 1.61 -3.43 -1.26 -5.09 115.29 104.75 2w3f s HIS 113 Ca 0.00 1.17 -0.11 0.00 -0.80 0.00 0.00 55.06 55.31 2w3f s HIS 113 Cb 0.00 0.17 0.05 0.00 -1.43 0.00 0.00 32.58 31.37 2w3f s HIS 113 CO 0.00 -0.24 1.08 -0.51 -2.00 0.00 0.00 174.74 173.07 2w3f s LEU 114 N 0.35 2.81 0.52 5.38 1.43 -1.26 -5.00 118.68 122.92 2w3f s LEU 114 Ca -0.01 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 2w3f s LEU 114 Cb -0.04 -4.15 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 2w3f s LEU 114 CO -0.01 -1.77 1.34 -2.84 0.23 0.00 0.00 176.35 173.31 2w3f s PRO 115 N -5.11 3.31 0.00 1.29 0.02 -1.26 -4.93 135.00 128.32 2w3f s PRO 115 Ca 0.60 2.21 0.25 0.00 0.02 0.00 0.00 61.00 64.07 2w3f s PRO 115 Cb -0.14 -2.34 0.42 0.00 0.02 0.00 0.00 34.50 32.46 2w3f s PRO 115 CO 0.55 -1.05 1.35 1.63 -0.33 0.00 0.00 177.00 179.15 2w3f n LYS 116 N -0.82 0.58 -1.31 5.54 5.02 -1.26 -4.96 118.16 120.95 2w3f n LYS 116 Ca 0.09 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 2w3f n LYS 116 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2w3f n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3f n GLY 117 N 1.42 1.01 3.35 0.72 0.00 -1.26 -4.62 105.19 105.81 2w3f n GLY 117 Ca 0.09 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 2w3f n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w3f n LEU 118 N -0.20 0.00 0.00 0.99 4.77 -1.26 -2.51 117.00 118.79 2w3f n LEU 118 Ca 0.00 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 2w3f n LEU 118 Cb 0.28 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2w3f n LEU 118 CO 0.00 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 2w3f n GLY 119 N -0.95 2.67 0.24 -0.72 0.00 -1.26 -2.70 105.19 102.47 2w3f n GLY 119 Ca 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.70 2w3f n GLY 119 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w3f h VAL 120 N 0.00 1.18 -0.44 1.61 2.07 -1.93 -2.23 116.25 116.51 2w3f h VAL 120 Ca 0.00 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2w3f h VAL 120 Cb 0.00 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2w3f h VAL 120 CO 0.00 0.24 -0.00 0.40 0.02 0.00 0.00 177.57 178.23 2w3f h ILE 121 N 0.22 1.26 -0.81 4.57 1.08 -1.84 -2.35 117.51 119.64 2w3f h ILE 121 Ca 0.04 -1.05 0.11 0.00 -0.39 0.00 0.00 64.86 63.58 2w3f h ILE 121 Cb 0.38 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 2w3f h ILE 121 CO 0.02 0.36 0.53 1.23 -0.69 0.00 0.00 178.15 179.60 2w3f h GLY 122 N 0.62 1.05 0.93 5.37 0.00 -1.11 0.57 103.07 110.50 2w3f h GLY 122 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2w3f h GLY 122 CO 0.02 0.15 0.12 -2.00 0.00 0.00 0.00 176.54 174.83 2w3f h LEU 123 N 0.70 0.56 -1.12 3.11 5.85 -1.20 0.31 115.31 123.51 2w3f h LEU 123 Ca 0.38 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2w3f h LEU 123 Cb 0.53 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2w3f h LEU 123 CO -0.15 0.62 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.19 2w3f h LEU 124 N 0.47 0.24 -0.28 2.25 3.38 -0.78 0.76 115.31 121.35 2w3f h LEU 124 Ca 0.12 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2w3f h LEU 124 Cb 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2w3f h LEU 124 CO -0.00 0.54 -0.36 0.40 0.09 0.00 0.00 178.44 179.10 2w3f h ILE 125 N 0.21 1.30 -0.10 1.22 2.04 -0.70 -2.76 117.51 118.72 2w3f h ILE 125 Ca 0.03 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.30 2w3f h ILE 125 Cb 0.64 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2w3f h ILE 125 CO 0.05 0.50 -0.09 -0.08 0.00 0.00 0.00 178.15 178.52 2w3f h GLU 126 N 0.48 0.23 -3.07 2.37 4.57 -0.74 -3.39 114.58 115.03 2w3f h GLU 126 Ca 0.03 -0.12 -0.62 0.00 -1.18 0.00 0.00 59.36 57.47 2w3f h GLU 126 Cb 0.95 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.13 2w3f h GLU 126 CO 0.09 0.64 -0.61 0.34 -1.18 0.00 0.00 179.01 178.29 2w3f s ASP 127 N -5.96 4.52 -0.71 1.04 2.15 0.26 -5.05 116.67 112.92 2w3f s ASP 127 Ca -0.15 -3.68 -0.26 0.00 0.43 0.00 0.00 52.55 48.90 2w3f s ASP 127 Cb 0.04 -1.55 -0.06 0.00 -0.30 0.00 0.00 42.92 41.05 2w3f s ASP 127 CO 0.73 -0.11 2.11 -2.84 -0.17 0.00 0.00 175.17 174.89 2w3f s PRO 128 N -1.18 2.28 -0.01 4.34 0.02 -1.04 -4.47 135.00 134.93 2w3f s PRO 128 Ca 0.24 0.47 -0.18 0.00 0.02 0.00 0.00 61.00 61.55 2w3f s PRO 128 Cb -0.07 -4.72 0.03 0.00 0.02 0.00 0.00 34.50 29.76 2w3f s PRO 128 CO -0.14 -3.41 0.38 0.15 -0.33 0.00 0.00 177.00 173.65 2w3f s LYS 129 N 7.68 0.76 0.35 5.54 1.02 -1.26 -4.87 119.74 128.96 2w3f s LYS 129 Ca 0.79 -0.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.36 2w3f s LYS 129 Cb -0.12 0.34 -0.11 0.00 -0.52 0.00 0.00 37.83 37.42 2w3f s LYS 129 CO 0.12 -0.22 1.47 -2.30 -0.92 0.00 0.00 175.35 173.50 2w3f n PRO 130 N 1.12 2.56 -3.70 -1.68 -0.02 -1.26 -4.54 135.00 127.49 2w3f n PRO 130 Ca -0.21 0.90 -0.17 0.00 -2.02 0.00 0.00 63.50 62.00 2w3f n PRO 130 Cb 0.57 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.27 2w3f n PRO 130 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2w3f s LEU 131 N -1.53 0.28 -0.06 2.45 2.96 0.11 -5.01 118.68 117.89 2w3f s LEU 131 Ca 0.56 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2w3f s LEU 131 Cb -0.50 0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 2w3f s LEU 131 CO 0.60 -0.21 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.67 2w3f s ARG 132 N 1.89 2.61 0.00 1.98 3.52 -1.26 -1.19 118.95 126.50 2w3f s ARG 132 Ca -0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 2w3f s ARG 132 Cb -0.12 -2.38 -0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2w3f s ARG 132 CO -0.05 0.55 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.47 2w3f s LEU 133 N -0.53 2.01 0.21 -0.88 1.43 -0.43 -5.01 118.68 115.48 2w3f s LEU 133 Ca 0.07 -0.04 0.11 0.00 -1.03 0.00 0.00 54.13 53.24 2w3f s LEU 133 Cb -0.12 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.06 2w3f s LEU 133 CO 0.01 -0.00 1.40 0.44 0.23 0.00 0.00 176.35 178.44 2w3f h ASP 134 N 6.05 0.00 -2.10 2.29 3.32 -1.86 -0.80 116.42 123.32 2w3f h ASP 134 Ca -0.25 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.46 2w3f h ASP 134 Cb 1.21 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 2w3f h ASP 134 CO 0.50 0.75 -0.65 -0.62 -1.72 0.00 0.00 179.24 177.50 2w3f s ASP 135 N -6.62 1.56 0.27 6.45 3.68 -1.23 -3.35 116.67 117.43 2w3f s ASP 135 Ca 0.02 -1.00 -0.04 0.00 2.13 0.00 0.00 52.55 53.66 2w3f s ASP 135 Cb 0.10 0.51 0.34 0.00 -1.45 0.00 0.00 42.92 42.41 2w3f s ASP 135 CO 0.78 -0.35 1.92 1.62 0.13 0.00 0.00 175.17 179.27 2w3f h VAL 136 N 5.93 1.24 0.00 1.11 3.04 -1.05 -2.07 116.25 124.44 2w3f h VAL 136 Ca -0.08 -0.50 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2w3f h VAL 136 Cb 1.07 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2w3f h VAL 136 CO 0.30 0.24 -0.02 0.28 -1.01 0.00 0.00 177.57 177.36 2w3f h SER 137 N 1.19 0.00 0.40 3.17 0.02 -1.83 -2.27 113.55 114.23 2w3f h SER 137 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2w3f h SER 137 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2w3f h SER 137 CO -0.06 0.02 -0.29 0.00 -1.14 0.00 0.00 176.83 175.37 2w3f n ALA 138 N -2.14 3.11 -1.76 3.77 0.00 -0.78 -4.81 120.51 117.89 2w3f n ALA 138 Ca -0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 2w3f n ALA 138 Cb 0.15 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 2w3f n ALA 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2w3f s HIS 139 N -2.69 3.32 -0.85 0.00 2.46 -0.85 -4.92 115.29 111.76 2w3f s HIS 139 Ca 0.20 1.59 0.19 0.00 0.47 0.00 0.00 55.06 57.52 2w3f s HIS 139 Cb 0.19 -3.40 0.79 0.00 -0.13 0.00 0.00 32.58 30.02 2w3f s HIS 139 CO 0.57 -1.05 1.59 -0.35 -2.47 0.00 0.00 174.74 173.03 2w3f n PRO 140 N 0.79 0.06 0.20 2.88 -0.04 -1.26 -0.85 135.00 136.79 2w3f n PRO 140 Ca 0.01 0.27 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 2w3f n PRO 140 Cb 0.45 -1.61 0.16 0.00 -0.04 0.00 0.00 33.50 32.46 2w3f n PRO 140 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2w3f h ALA 141 N 2.49 0.92 -1.86 0.55 0.00 -1.93 -3.47 119.26 115.96 2w3f h ALA 141 Ca 0.00 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 54.14 2w3f h ALA 141 Cb 0.33 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.16 2w3f h ALA 141 CO 0.00 0.17 0.50 0.45 0.00 0.00 0.00 179.25 180.37 2w3f n SER 142 N -3.14 1.95 0.00 0.00 2.88 -0.03 -3.87 113.62 111.42 2w3f n SER 142 Ca 0.03 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.80 2w3f n SER 142 Cb 0.57 -1.26 -0.14 0.00 -0.75 0.00 0.00 64.21 62.63 2w3f n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2w3f n ILE 143 N 2.46 0.06 0.00 2.46 3.06 -1.26 -4.95 119.36 121.19 2w3f n ILE 143 Ca 0.17 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 2w3f n ILE 143 Cb 0.23 0.06 0.00 0.00 0.54 0.00 0.00 39.64 40.47 2w3f n ILE 143 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2w3f n GLY 144 N 1.28 0.77 3.81 4.50 0.00 -1.26 -5.01 105.19 109.27 2w3f n GLY 144 Ca -0.03 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 2w3f n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2w3f s PHE 145 N -2.65 3.27 0.83 1.61 0.08 -1.26 -5.06 117.98 114.80 2w3f s PHE 145 Ca 0.00 1.62 -0.12 0.00 0.12 0.00 0.00 56.93 58.55 2w3f s PHE 145 Cb 0.00 -2.92 0.09 0.00 -0.57 0.00 0.00 43.02 39.61 2w3f s PHE 145 CO 0.00 -0.28 1.11 -1.25 -0.10 0.00 0.00 175.22 174.70 2w3f s PRO 146 N -3.06 1.85 0.27 0.24 0.04 -1.26 -4.95 135.00 128.14 2w3f s PRO 146 Ca 0.62 0.54 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 2w3f s PRO 146 Cb -0.12 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2w3f s PRO 146 CO 0.16 -1.76 0.91 -2.30 0.04 0.00 0.00 177.00 174.05 2w3f n PRO 147 N -3.51 1.07 -0.34 0.56 -0.02 -1.26 -2.33 135.00 129.17 2w3f n PRO 147 Ca 0.07 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2w3f n PRO 147 Cb 0.57 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2w3f n PRO 147 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2w3f n TYR 148 N 0.15 0.00 -2.43 6.00 4.02 -1.26 -4.43 117.16 119.21 2w3f n TYR 148 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.59 2w3f n TYR 148 Cb 0.31 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 2w3f n TYR 148 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2w3f s HIS 149 N -2.92 3.49 0.29 -0.72 2.46 -0.99 -4.75 115.29 112.15 2w3f s HIS 149 Ca 0.00 1.47 -0.28 0.00 0.47 0.00 0.00 55.06 56.71 2w3f s HIS 149 Cb 0.00 -3.37 -0.14 0.00 -0.13 0.00 0.00 32.58 28.94 2w3f s HIS 149 CO 0.00 -1.00 1.08 -2.30 -2.47 0.00 0.00 174.74 170.05 2w3f n PRO 150 N 2.68 1.50 -2.10 2.88 -0.02 -1.26 -4.92 135.00 133.75 2w3f n PRO 150 Ca 0.04 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 2w3f n PRO 150 Cb 0.45 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2w3f n PRO 150 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2w3f s PRO 151 N -1.52 4.33 -0.03 0.52 0.02 -1.26 -5.00 135.00 132.07 2w3f s PRO 151 Ca 0.59 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.83 2w3f s PRO 151 Cb -0.68 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 30.74 2w3f s PRO 151 CO 0.60 -0.28 -0.05 -1.64 -0.33 0.00 0.00 177.00 175.29 2w3f s MET 152 N -0.93 0.68 0.00 5.54 -1.94 -1.26 -5.03 119.30 116.36 2w3f s MET 152 Ca 0.54 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.37 2w3f s MET 152 Cb -0.40 -0.68 0.00 0.00 2.01 0.00 0.00 34.83 35.76 2w3f s MET 152 CO 0.46 0.01 0.00 -2.13 -0.01 0.00 0.00 175.02 173.35 2w3f n ARG 153 N 3.58 0.00 -2.35 2.03 0.63 -1.26 -4.44 116.66 114.85 2w3f n ARG 153 Ca -0.21 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.33 2w3f n ARG 153 Cb 0.54 -0.08 -0.03 0.00 0.45 0.00 0.00 32.46 33.34 2w3f n ARG 153 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2w3f s THR 154 N -0.38 3.24 -0.03 5.15 -4.23 -1.21 -0.56 115.64 117.62 2w3f s THR 154 Ca 0.00 1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 61.67 2w3f s THR 154 Cb 0.00 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.14 2w3f s THR 154 CO 0.00 0.22 0.07 0.12 -0.54 0.00 0.00 174.62 174.49 2w3f s PHE 155 N -1.26 -0.06 -0.08 3.99 2.19 -0.31 -1.80 117.98 120.67 2w3f s PHE 155 Ca 0.50 0.20 -0.01 0.00 0.33 0.00 0.00 56.93 57.95 2w3f s PHE 155 Cb -0.33 -0.06 0.03 0.00 -1.31 0.00 0.00 43.02 41.35 2w3f s PHE 155 CO 0.42 -0.07 -0.01 -1.17 1.83 0.00 0.00 175.22 176.22 2w3f s LEU 156 N 0.49 0.72 -0.00 6.12 2.96 -0.32 -1.31 118.68 127.34 2w3f s LEU 156 Ca -0.04 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2w3f s LEU 156 Cb -0.05 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 2w3f s LEU 156 CO -0.02 -0.18 -0.05 -0.83 -1.32 0.00 0.00 176.35 173.96 2w3f s GLY 157 N 1.88 0.24 -0.02 7.98 0.00 -0.33 -0.02 107.32 117.05 2w3f s GLY 157 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.45 2w3f s GLY 157 CO -0.06 -0.21 0.17 0.54 0.00 0.00 0.00 173.10 173.54 2w3f s VAL 158 N -0.21 0.06 0.36 1.40 0.11 -0.23 -0.71 120.40 121.18 2w3f s VAL 158 Ca 0.01 -0.46 -0.28 0.00 -2.93 0.00 0.00 61.98 58.32 2w3f s VAL 158 Cb -0.02 -0.40 -0.10 0.00 -1.53 0.00 0.00 36.38 34.33 2w3f s VAL 158 CO -0.00 -0.25 1.31 -2.16 -3.33 0.00 0.00 175.10 170.66 2w3f s PRO 159 N -0.92 4.22 -0.44 1.54 0.04 -1.26 -1.04 135.00 137.13 2w3f s PRO 159 Ca -0.10 2.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 2w3f s PRO 159 Cb -0.05 -2.96 0.03 0.00 0.04 0.00 0.00 34.50 31.56 2w3f s PRO 159 CO 0.01 -0.30 0.44 0.08 0.04 0.00 0.00 177.00 177.27 2w3f s VAL 160 N -1.19 5.10 0.18 -0.36 1.01 0.15 -4.63 120.40 120.66 2w3f s VAL 160 Ca 0.52 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 2w3f s VAL 160 Cb -0.39 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 31.92 2w3f s VAL 160 CO 0.52 -0.49 0.39 0.00 0.00 0.00 0.00 175.10 175.52 2w3f s ARG 161 N 2.07 1.27 0.37 2.72 1.70 -1.26 0.16 118.95 125.98 2w3f s ARG 161 Ca 0.10 -1.05 0.02 0.00 -0.47 0.00 0.00 55.73 54.33 2w3f s ARG 161 Cb -0.19 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2w3f s ARG 161 CO 0.12 -0.50 0.14 1.33 -1.08 0.00 0.00 175.30 175.31 2w3f n VAL 162 N -0.27 0.00 -0.29 4.99 0.24 -0.15 -4.35 118.33 118.49 2w3f n VAL 162 Ca -0.08 -1.58 -0.01 0.00 -2.04 0.00 0.00 64.34 60.63 2w3f n VAL 162 Cb 0.63 0.08 0.12 0.00 -1.47 0.00 0.00 33.84 33.19 2w3f n VAL 162 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2w3f h ARG 163 N 0.00 0.90 0.01 7.34 2.43 -2.00 -3.26 114.38 119.79 2w3f h ARG 163 Ca -0.27 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 58.56 2w3f h ARG 163 Cb 0.88 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2w3f h ARG 163 CO 0.43 0.59 -1.68 -0.44 -1.51 0.00 0.00 179.97 177.36 2w3f h ASP 164 N 0.92 0.02 -4.66 -3.80 3.32 -2.05 -3.48 116.42 106.70 2w3f h ASP 164 Ca 0.34 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.20 2w3f h ASP 164 Cb 0.13 -0.01 -0.22 0.00 0.22 0.00 0.00 39.33 39.45 2w3f h ASP 164 CO -0.16 1.03 -0.50 -0.70 -1.72 0.00 0.00 179.24 177.19 2w3f s GLU 165 N -2.60 0.40 -0.10 3.56 2.12 -1.23 -5.15 118.70 115.70 2w3f s GLU 165 Ca -0.05 -0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.03 2w3f s GLU 165 Cb 0.08 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 2w3f s GLU 165 CO 0.82 -0.09 -0.02 0.45 -0.54 0.00 0.00 175.26 175.89 2w3f s SER 166 N -0.99 5.04 -0.00 -1.70 0.15 -1.26 -0.98 113.70 113.96 2w3f s SER 166 Ca -0.11 0.05 0.07 0.00 0.70 0.00 0.00 55.95 56.65 2w3f s SER 166 Cb -0.06 -1.51 -0.08 0.00 -1.71 0.00 0.00 66.02 62.66 2w3f s SER 166 CO 0.01 0.32 0.25 0.49 1.20 0.00 0.00 173.24 175.51 2w3f n PHE 167 N 2.56 0.00 -2.67 3.44 3.72 0.12 -4.98 117.46 119.66 2w3f n PHE 167 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2w3f n PHE 167 Cb 0.53 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2w3f n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2w3f n GLY 168 N 1.36 -1.39 2.81 1.37 0.00 -1.06 -0.93 105.19 107.35 2w3f n GLY 168 Ca 0.01 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 2w3f n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w3f s THR 169 N -2.79 -0.01 -0.22 2.61 2.01 -0.68 0.32 115.64 116.87 2w3f s THR 169 Ca 0.00 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 2w3f s THR 169 Cb 0.00 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 2w3f s THR 169 CO 0.00 0.07 0.10 -0.22 -0.69 0.00 0.00 174.62 173.88 2w3f s LEU 170 N 0.72 3.83 -0.01 4.42 2.96 -0.20 -1.59 118.68 128.81 2w3f s LEU 170 Ca -0.06 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2w3f s LEU 170 Cb -0.09 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 2w3f s LEU 170 CO -0.02 0.08 0.06 -0.72 -1.32 0.00 0.00 176.35 174.43 2w3f s TYR 171 N 0.96 0.02 0.05 5.38 1.13 0.32 -1.07 117.35 124.15 2w3f s TYR 171 Ca 0.05 -0.03 0.07 0.00 -1.41 0.00 0.00 57.07 55.75 2w3f s TYR 171 Cb -0.14 -0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.66 2w3f s TYR 171 CO 0.03 -0.12 -0.18 -0.51 -2.51 0.00 0.00 175.55 172.26 2w3f s LEU 172 N -0.55 2.20 0.12 -3.49 2.01 0.97 -0.36 118.68 119.58 2w3f s LEU 172 Ca -0.06 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.55 2w3f s LEU 172 Cb -0.04 -0.82 -0.04 0.00 0.01 0.00 0.00 46.19 45.30 2w3f s LEU 172 CO 0.00 0.09 -0.00 0.42 1.01 0.00 0.00 176.35 177.87 2w3f s THR 173 N -0.90 0.39 -1.05 5.49 -4.23 -0.22 -1.18 115.64 113.94 2w3f s THR 173 Ca 0.05 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 2w3f s THR 173 Cb -0.09 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 2w3f s THR 173 CO 0.02 -0.67 0.85 0.47 -0.54 0.00 0.00 174.62 174.75 2w3f n ASP 174 N -0.07 -6.26 -4.23 3.99 9.92 -0.74 -1.94 116.55 117.21 2w3f n ASP 174 Ca -0.09 -0.77 -0.53 0.00 -0.53 0.00 0.00 54.79 52.87 2w3f n ASP 174 Cb 0.62 -4.52 -0.06 0.00 -0.64 0.00 0.00 41.12 36.52 2w3f n ASP 174 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2w3f n LYS 175 N -3.43 0.00 -0.09 -1.24 5.02 -1.26 -1.44 118.16 115.71 2w3f n LYS 175 Ca -0.08 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.25 2w3f n LYS 175 Cb 0.60 -1.30 0.37 0.00 -0.02 0.00 0.00 35.03 34.68 2w3f n LYS 175 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2w3f h THR 176 N 2.35 1.10 0.00 -0.18 1.35 -1.07 -2.41 112.91 114.06 2w3f h THR 176 Ca -0.43 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2w3f h THR 176 Cb 1.35 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2w3f h THR 176 CO 0.60 0.13 0.00 -0.46 -0.25 0.00 0.00 175.52 175.53 2w3f n ASN 177 N -4.46 0.00 0.00 5.36 0.23 -1.26 -4.85 115.26 110.28 2w3f n ASN 177 Ca 0.06 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 2w3f n ASN 177 Cb 0.09 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2w3f n ASN 177 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2w3f n GLY 178 N 0.52 2.73 3.93 4.83 0.00 -0.91 -5.01 105.19 111.28 2w3f n GLY 178 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2w3f n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3f s GLN 179 N -0.03 2.86 0.79 1.61 -1.52 -1.26 -5.01 119.66 117.09 2w3f s GLN 179 Ca 0.00 -0.16 -0.11 0.00 -1.95 0.00 0.00 55.36 53.14 2w3f s GLN 179 Cb 0.00 -2.33 0.07 0.00 -0.22 0.00 0.00 33.01 30.53 2w3f s GLN 179 CO 0.00 -0.67 1.12 -2.14 -0.25 0.00 0.00 175.29 173.34 2w3f s PRO 180 N -4.92 2.00 0.30 2.91 0.02 -1.26 -4.59 135.00 129.45 2w3f s PRO 180 Ca 0.54 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 2w3f s PRO 180 Cb -0.10 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 2w3f s PRO 180 CO 0.43 -1.86 1.48 -0.06 -0.33 0.00 0.00 177.00 176.66 2w3f s PHE 181 N -2.69 2.87 0.72 6.54 0.08 -1.26 -5.00 117.98 119.23 2w3f s PHE 181 Ca 0.64 1.03 -0.09 0.00 0.12 0.00 0.00 56.93 58.63 2w3f s PHE 181 Cb -0.20 -3.91 0.04 0.00 -0.57 0.00 0.00 43.02 38.38 2w3f s PHE 181 CO 0.54 -2.90 1.07 -1.54 -0.10 0.00 0.00 175.22 172.29 2w3f s SER 182 N 0.20 5.03 0.19 1.36 1.04 -1.26 -4.92 113.70 115.35 2w3f s SER 182 Ca 0.58 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.68 2w3f s SER 182 Cb -0.44 -1.49 0.17 0.00 0.10 0.00 0.00 66.02 64.36 2w3f s SER 182 CO 0.49 -1.53 1.80 0.44 0.98 0.00 0.00 173.24 175.43 2w3f h ASP 183 N -0.68 0.49 -0.74 7.02 3.45 -2.00 -1.56 116.42 122.41 2w3f h ASP 183 Ca -0.45 0.02 0.11 0.00 0.43 0.00 0.00 57.03 57.14 2w3f h ASP 183 Cb 1.29 -0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 39.91 2w3f h ASP 183 CO 0.63 0.33 0.35 0.44 -1.57 0.00 0.00 179.24 179.42 2w3f h ASP 184 N 0.62 0.41 -0.36 6.45 3.45 -2.00 -1.67 116.42 123.32 2w3f h ASP 184 Ca 0.25 0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.82 2w3f h ASP 184 Cb 0.12 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 2w3f h ASP 184 CO -0.15 0.21 0.18 0.44 -1.57 0.00 0.00 179.24 178.35 2w3f h ASP 185 N 0.55 0.25 -0.43 6.45 3.32 -1.70 -2.17 116.42 122.69 2w3f h ASP 185 Ca 0.38 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 2w3f h ASP 185 Cb 0.48 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2w3f h ASP 185 CO -0.32 0.19 0.25 -0.08 -1.72 0.00 0.00 179.24 177.56 2w3f h GLU 186 N 0.36 0.59 -0.40 3.56 4.81 -0.67 -2.15 114.58 120.69 2w3f h GLU 186 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2w3f h GLU 186 Cb 0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2w3f h GLU 186 CO -0.11 0.45 0.26 0.28 -0.73 0.00 0.00 179.01 179.15 2w3f h VAL 187 N 0.57 1.10 -0.43 0.32 2.07 -1.17 -1.46 116.25 117.24 2w3f h VAL 187 Ca 0.15 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2w3f h VAL 187 Cb 0.01 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2w3f h VAL 187 CO -0.03 0.10 0.28 0.25 0.02 0.00 0.00 177.57 178.19 2w3f h LEU 188 N 0.54 0.48 -0.66 2.57 5.85 -1.26 -2.51 115.31 120.31 2w3f h LEU 188 Ca 0.14 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 2w3f h LEU 188 Cb -0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2w3f h LEU 188 CO -0.03 0.35 -0.11 0.58 -0.34 0.00 0.00 178.44 178.89 2w3f h VAL 189 N 0.57 1.26 -0.56 1.05 2.07 -1.27 -2.07 116.25 117.31 2w3f h VAL 189 Ca 0.16 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.51 2w3f h VAL 189 Cb -0.06 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2w3f h VAL 189 CO -0.04 0.43 0.23 1.56 0.02 0.00 0.00 177.57 179.78 2w3f h GLN 190 N 0.83 0.43 -0.47 1.57 4.20 -1.14 0.86 115.11 121.39 2w3f h GLN 190 Ca 0.13 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2w3f h GLN 190 Cb 0.64 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2w3f h GLN 190 CO 0.04 0.28 -0.12 0.00 -0.67 0.00 0.00 178.83 178.37 2w3f h ALA 191 N 1.35 0.64 -0.74 3.87 0.00 -1.27 -0.82 119.26 122.28 2w3f h ALA 191 Ca 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2w3f h ALA 191 Cb 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2w3f h ALA 191 CO -0.24 0.55 0.31 -0.07 0.00 0.00 0.00 179.25 179.80 2w3f h LEU 192 N 0.75 1.02 -0.93 0.00 3.38 -1.14 -2.19 115.31 116.20 2w3f h LEU 192 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2w3f h LEU 192 Cb 0.67 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2w3f h LEU 192 CO 0.05 0.91 0.48 0.00 0.09 0.00 0.00 178.44 179.97 2w3f h ALA 193 N 1.15 1.18 -0.73 1.53 0.00 -0.66 -1.12 119.26 120.62 2w3f h ALA 193 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2w3f h ALA 193 Cb 0.20 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2w3f h ALA 193 CO -0.02 0.66 0.38 0.00 0.00 0.00 0.00 179.25 180.26 2w3f h ALA 194 N 1.29 1.30 -0.45 0.00 0.00 -0.77 0.14 119.26 120.78 2w3f h ALA 194 Ca 0.31 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2w3f h ALA 194 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2w3f h ALA 194 CO -0.05 0.56 -0.24 0.00 0.00 0.00 0.00 179.25 179.52 2w3f h ALA 195 N 1.40 0.73 -0.76 0.00 0.00 -1.06 -1.94 119.26 117.64 2w3f h ALA 195 Ca 0.25 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2w3f h ALA 195 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2w3f h ALA 195 CO -0.04 0.67 0.46 0.00 0.00 0.00 0.00 179.25 180.34 2w3f h ALA 196 N 0.92 1.39 -0.43 0.00 0.00 -0.57 -1.06 119.26 119.51 2w3f h ALA 196 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2w3f h ALA 196 Cb 0.81 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2w3f h ALA 196 CO 0.07 0.53 0.28 0.78 0.00 0.00 0.00 179.25 180.91 2w3f h GLY 197 N 1.06 0.61 0.84 0.00 0.00 -0.36 -0.07 103.07 105.15 2w3f h GLY 197 Ca 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.42 2w3f h GLY 197 CO -0.05 0.21 0.41 -2.22 0.00 0.00 0.00 176.54 174.89 2w3f h ILE 198 N 0.57 1.07 0.17 2.60 2.04 -1.04 -1.24 117.51 121.68 2w3f h ILE 198 Ca 0.16 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2w3f h ILE 198 Cb -0.05 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2w3f h ILE 198 CO -0.04 0.15 -0.08 0.00 0.00 0.00 0.00 178.15 178.17 2w3f h ALA 199 N 1.30 -0.23 -0.34 1.87 0.00 -0.71 -2.24 119.26 118.91 2w3f h ALA 199 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2w3f h ALA 199 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2w3f h ALA 199 CO -0.12 -0.58 0.19 0.28 0.00 0.00 0.00 179.25 179.02 2w3f h VAL 200 N -0.33 1.13 -0.65 0.00 2.07 -0.91 -0.43 116.25 117.13 2w3f h VAL 200 Ca -0.02 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2w3f h VAL 200 Cb 0.26 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2w3f h VAL 200 CO 0.04 0.14 0.43 0.00 0.02 0.00 0.00 177.57 178.20 2w3f h ALA 201 N 1.05 1.60 -0.09 1.67 0.00 -1.19 -2.74 119.26 119.57 2w3f h ALA 201 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2w3f h ALA 201 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2w3f h ALA 201 CO -0.02 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.66 2w3f n ASN 202 N -4.45 2.94 -4.74 0.00 4.13 -0.85 -5.02 115.26 107.27 2w3f n ASN 202 Ca 0.08 -1.96 -0.38 0.00 1.68 0.00 0.00 54.58 54.00 2w3f n ASN 202 Cb 0.10 -0.04 0.05 0.00 -1.54 0.00 0.00 39.78 38.35 2w3f n ASN 202 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2w3f s ALA 203 N -1.92 2.64 0.12 5.41 0.00 -0.20 -4.89 121.76 122.92 2w3f s ALA 203 Ca 0.31 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 53.22 2w3f s ALA 203 Cb 0.21 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2w3f s ALA 203 CO 0.31 -1.44 1.57 0.50 0.00 0.00 0.00 175.76 176.70 2w3f s ARG 204 N -3.10 4.22 0.00 0.00 3.52 -1.26 -5.07 118.95 117.26 2w3f s ARG 204 Ca 0.76 2.31 0.16 0.00 -0.13 0.00 0.00 55.73 58.83 2w3f s ARG 204 Cb -0.39 -3.34 0.95 0.00 -1.56 0.00 0.00 34.95 30.61 2w3f s ARG 204 CO 0.44 -0.63 1.36 1.28 -0.81 0.00 0.00 175.30 176.93