#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.00 0.00 0.00 5.08 -2.05 -2.95 115.95 116.04 2nef h TRP 57 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 2nef h TRP 57 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 2nef h TRP 57 CO 0.00 0.58 -0.57 1.37 -1.28 0.00 0.00 178.44 178.53 2nef h LEU 58 N 0.00 0.00 -7.62 0.11 8.10 -2.02 -3.39 115.31 110.48 2nef h LEU 58 Ca -0.01 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.39 2nef h LEU 58 Cb 1.06 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.23 2nef h LEU 58 CO 0.08 0.50 2.02 -0.62 -4.11 0.00 0.00 178.44 176.31 2nef n GLU 59 N -3.20 2.67 -0.49 0.17 1.02 -1.11 -4.79 120.64 114.91 2nef n GLU 59 Ca 0.01 -2.93 -0.05 0.00 -0.02 0.00 0.00 57.16 54.17 2nef n GLU 59 Cb 0.74 -3.51 -0.07 0.00 -0.02 0.00 0.00 31.44 28.59 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nef n ALA 60 N 9.65 3.76 0.08 0.62 0.00 -1.26 -4.30 120.51 129.06 2nef n ALA 60 Ca 0.48 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2nef n ALA 60 Cb 0.45 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 2nef n ALA 60 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2nef h GLN 61 N 3.53 -0.26 -7.00 0.00 -0.00 -1.91 -3.44 115.11 106.01 2nef h GLN 61 Ca 0.07 0.02 -0.56 0.00 -0.00 0.00 0.00 58.65 58.18 2nef h GLN 61 Cb 0.79 0.06 0.15 0.00 0.00 0.00 0.00 27.48 28.48 2nef h GLN 61 CO 0.22 0.13 0.45 -1.91 0.00 0.00 0.00 178.83 177.72 2nef n GLU 62 N -4.98 1.31 -0.91 1.69 2.13 -1.26 -4.91 120.64 113.71 2nef n GLU 62 Ca -0.08 0.50 -0.33 0.00 0.66 0.00 0.00 57.16 57.90 2nef n GLU 62 Cb 0.26 -2.45 0.12 0.00 0.27 0.00 0.00 31.44 29.63 2nef n GLU 62 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2nef n GLU 63 N -1.28 -0.13 -0.26 5.31 -0.58 -1.26 -4.71 120.64 117.73 2nef n GLU 63 Ca 0.13 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2nef n GLU 63 Cb 0.46 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 2nef n GLU 63 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2nef n GLU 64 N -2.06 0.55 -3.23 3.49 0.28 -1.26 -4.61 120.64 113.81 2nef n GLU 64 Ca 0.09 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.64 2nef n GLU 64 Cb 0.52 -1.23 -0.00 0.00 1.43 0.00 0.00 31.44 32.16 2nef n GLU 64 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2nef s GLU 65 N 0.88 4.13 -1.52 3.44 2.12 -1.26 -4.92 118.70 121.57 2nef s GLU 65 Ca 0.00 -2.98 -0.11 0.00 0.36 0.00 0.00 54.97 52.24 2nef s GLU 65 Cb 0.00 -4.69 -0.01 0.00 0.26 0.00 0.00 34.13 29.69 2nef s GLU 65 CO 0.00 -1.39 2.57 0.28 -0.54 0.00 0.00 175.26 176.18 2nef n VAL 66 N 3.33 4.01 0.00 3.70 0.31 -1.26 -4.70 118.33 123.73 2nef n VAL 66 Ca 0.27 -2.95 0.00 0.00 -0.01 0.00 0.00 64.34 61.64 2nef n VAL 66 Cb 0.41 -2.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.77 2nef n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nef n GLY 67 N 3.65 -0.21 3.85 2.92 0.00 -1.26 -4.49 105.19 109.65 2nef n GLY 67 Ca 0.65 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.34 2nef n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nef s PHE 68 N -2.37 3.40 -0.77 1.61 0.08 -1.26 -5.00 117.98 113.67 2nef s PHE 68 Ca 0.00 1.24 -0.26 0.00 0.12 0.00 0.00 56.93 58.02 2nef s PHE 68 Cb 0.00 -2.54 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 2nef s PHE 68 CO 0.00 0.12 1.42 -1.25 -0.10 0.00 0.00 175.22 175.41 2nef s PRO 69 N -2.88 3.14 0.71 0.24 0.04 -1.26 -5.01 135.00 129.98 2nef s PRO 69 Ca 0.53 -0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.26 2nef s PRO 69 Cb -0.11 -4.43 0.07 0.00 0.04 0.00 0.00 34.50 30.07 2nef s PRO 69 CO 0.18 -2.30 1.02 0.14 0.04 0.00 0.00 177.00 176.08 2nef s VAL 70 N 6.32 2.27 -0.38 -0.36 -7.23 -1.26 -5.02 120.40 114.74 2nef s VAL 70 Ca 0.43 -0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 60.07 2nef s VAL 70 Cb -0.07 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.90 2nef s VAL 70 CO 0.11 0.00 0.79 0.42 -0.31 0.00 0.00 175.10 176.12 2nef s THR 71 N -3.25 4.70 0.00 5.32 -4.23 -1.26 -5.05 115.64 111.88 2nef s THR 71 Ca 0.61 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 2nef s THR 71 Cb -0.10 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2nef s THR 71 CO 0.45 -0.51 0.00 -0.81 -0.54 0.00 0.00 174.62 173.21 2nef n PRO 72 N 6.52 0.98 -1.52 3.99 -0.04 -1.26 -2.83 135.00 140.83 2nef n PRO 72 Ca 0.03 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 2nef n PRO 72 Cb 0.48 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2nef n GLN 73 N -0.03 0.36 -3.26 0.54 1.13 -1.26 -4.51 117.38 110.35 2nef n GLN 73 Ca 0.00 -0.12 -0.27 0.00 -1.94 0.00 0.00 57.00 54.66 2nef n GLN 73 Cb 0.00 -2.25 -0.02 0.00 0.11 0.00 0.00 30.24 28.08 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2nef s VAL 74 N 8.97 5.02 -0.17 5.09 -7.23 -1.26 -4.96 120.40 125.87 2nef s VAL 74 Ca 1.19 -0.03 -0.31 0.00 -1.81 0.00 0.00 61.98 61.02 2nef s VAL 74 Cb -0.72 -3.77 -0.14 0.00 0.56 0.00 0.00 36.38 32.30 2nef s VAL 74 CO 0.39 -0.43 0.94 -2.65 -0.31 0.00 0.00 175.10 173.04 2nef n PRO 75 N -1.26 0.00 -1.58 4.82 -0.02 -1.26 -4.66 135.00 131.04 2nef n PRO 75 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.13 2nef n PRO 75 Cb 0.54 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.92 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 1.00 3.34 -0.29 2.45 1.43 -1.26 -4.91 118.68 120.44 2nef s LEU 76 Ca 0.70 0.92 -0.27 0.00 -1.03 0.00 0.00 54.13 54.45 2nef s LEU 76 Cb -0.99 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 42.73 2nef s LEU 76 CO 0.49 -2.99 0.95 -0.60 0.23 0.00 0.00 176.35 174.43 2nef s ARG 77 N 8.30 4.09 -0.24 1.70 3.52 -1.26 -4.96 118.95 130.10 2nef s ARG 77 Ca 0.96 0.97 -0.42 0.00 -0.13 0.00 0.00 55.73 57.10 2nef s ARG 77 Cb -0.16 -3.70 -0.19 0.00 -1.56 0.00 0.00 34.95 29.34 2nef s ARG 77 CO 0.23 -0.73 1.45 -2.30 -0.81 0.00 0.00 175.30 173.14 2nef n PRO 78 N 6.44 0.38 -2.00 5.12 -0.02 -1.26 -4.81 135.00 138.85 2nef n PRO 78 Ca 0.09 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 2nef n PRO 78 Cb 0.47 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2nef n PRO 78 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2nef s MET 79 N 1.94 3.33 0.24 -0.52 1.75 -1.26 -4.97 119.30 119.81 2nef s MET 79 Ca 0.97 1.41 -0.10 0.00 -1.25 0.00 0.00 55.69 56.72 2nef s MET 79 Cb -1.28 -4.20 -0.07 0.00 2.84 0.00 0.00 34.83 32.12 2nef s MET 79 CO 0.67 -1.86 0.58 0.95 -0.65 0.00 0.00 175.02 174.71 2nef s THR 80 N 6.88 4.90 0.28 10.11 -4.23 -1.26 -4.89 115.64 127.43 2nef s THR 80 Ca 0.79 0.53 0.01 0.00 -1.18 0.00 0.00 61.69 61.85 2nef s THR 80 Cb -0.22 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.27 2nef s THR 80 CO 0.33 -0.09 1.81 0.22 -0.54 0.00 0.00 174.62 176.35 2nef h TYR 81 N 2.49 1.04 -0.08 3.99 3.20 -1.93 2.68 116.97 128.36 2nef h TYR 81 Ca -0.47 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 2nef h TYR 81 Cb 1.17 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 2nef h TYR 81 CO 0.61 0.35 0.05 -0.22 -1.64 0.00 0.00 178.16 177.32 2nef h LYS 82 N 0.87 0.10 -0.46 1.82 3.64 -1.92 0.07 116.57 120.68 2nef h LYS 82 Ca 0.50 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.81 2nef h LYS 82 Cb 0.58 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2nef h LYS 82 CO -0.30 0.07 0.04 0.00 -2.27 0.00 0.00 179.45 176.99 2nef h ALA 83 N 1.95 1.20 0.22 5.00 0.00 0.43 0.25 119.26 128.31 2nef h ALA 83 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2nef h ALA 83 Cb -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2nef h ALA 83 CO -0.01 0.53 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 2nef h ALA 84 N 1.34 -0.29 -0.57 0.00 0.00 -0.09 0.37 119.26 120.02 2nef h ALA 84 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2nef h ALA 84 Cb 0.38 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2nef h ALA 84 CO 0.01 -0.57 0.24 0.28 0.00 0.00 0.00 179.25 179.21 2nef h VAL 85 N -0.48 1.22 0.09 0.00 2.07 -1.34 1.33 116.25 119.14 2nef h VAL 85 Ca -0.03 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2nef h VAL 85 Cb 0.36 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2nef h VAL 85 CO 0.05 0.26 -0.04 0.44 0.02 0.00 0.00 177.57 178.30 2nef h ASP 86 N 0.79 -0.10 -0.67 0.57 5.19 -0.84 -2.35 116.42 119.01 2nef h ASP 86 Ca 0.19 -0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 2nef h ASP 86 Cb 0.18 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 2nef h ASP 86 CO -0.02 -0.00 0.23 0.25 -3.12 0.00 0.00 179.24 176.58 2nef h LEU 87 N -0.19 0.97 -0.34 1.55 5.85 0.06 -0.85 115.31 122.37 2nef h LEU 87 Ca -0.01 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.62 2nef h LEU 87 Cb 0.15 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 2nef h LEU 87 CO 0.02 0.90 -0.18 0.77 -0.34 0.00 0.00 178.44 179.61 2nef h SER 88 N 1.02 -0.61 0.57 1.25 4.64 0.22 -0.93 113.55 119.71 2nef h SER 88 Ca 0.23 0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.53 2nef h SER 88 Cb 0.26 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2nef h SER 88 CO -0.01 -0.22 -0.71 0.45 -0.87 0.00 0.00 176.83 175.47 2nef h HIS 89 N -0.13 0.15 0.64 4.77 3.86 -1.24 -2.62 115.15 120.59 2nef h HIS 89 Ca 0.17 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2nef h HIS 89 Cb 0.39 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2nef h HIS 89 CO -0.39 0.78 -0.49 0.35 0.86 0.00 0.00 177.93 179.04 2nef h PHE 90 N 0.07 -1.32 0.00 2.45 3.57 0.12 0.01 116.94 121.84 2nef h PHE 90 Ca -0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2nef h PHE 90 Cb 1.25 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 40.49 2nef h PHE 90 CO 0.01 -0.69 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.32 2nef h LEU 91 N -1.09 0.00 0.60 0.59 3.38 -1.33 -2.00 115.31 115.45 2nef h LEU 91 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2nef h LEU 91 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2nef h LEU 91 CO 0.03 0.02 -0.29 0.50 0.09 0.00 0.00 178.44 178.79 2nef h LYS 92 N 0.00 -0.77 0.00 1.13 3.11 -0.80 -2.95 116.57 116.28 2nef h LYS 92 Ca -0.00 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2nef h LYS 92 Cb 0.04 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2nef h LYS 92 CO 0.00 -0.46 0.00 0.93 -2.81 0.00 0.00 179.45 177.11 2nef h GLU 93 N -1.10 0.00 -1.09 1.90 5.08 -0.84 -1.64 114.58 116.89 2nef h GLU 93 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2nef h GLU 93 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2nef h GLU 93 CO 0.13 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.31 2nef n LYS 94 N -2.65 0.91 0.00 2.33 4.81 -0.77 -4.72 118.16 118.06 2nef n LYS 94 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2nef n LYS 94 Cb 0.19 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.19 2nef n LYS 94 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nef n GLY 95 N 0.54 2.57 0.00 3.14 0.00 -1.05 -4.83 105.19 105.56 2nef n GLY 95 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N 0.00 2.22 0.14 -0.02 0.00 -0.64 -4.99 105.19 101.90 2nef n GLY 96 Ca 0.00 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.66 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N 0.00 0.00 -9.60 0.99 5.85 -1.82 -3.45 115.31 107.27 2nef h LEU 97 Ca 0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 2nef h LEU 97 Cb 0.00 0.00 0.18 0.00 0.37 0.00 0.00 40.66 41.21 2nef h LEU 97 CO 0.00 0.00 -0.42 1.21 -0.34 0.00 0.00 178.44 178.89 2nef n GLU 98 N -2.47 0.35 -0.29 1.25 2.13 -1.26 -1.81 120.64 118.54 2nef n GLU 98 Ca 0.05 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2nef n GLU 98 Cb 0.43 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.36 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nef n GLY 99 N 1.71 0.00 3.64 8.31 0.00 -0.10 -4.90 105.19 113.85 2nef n GLY 99 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2nef n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nef s LEU 100 N 0.00 4.01 -0.29 0.99 2.96 -0.75 -4.79 118.68 120.80 2nef s LEU 100 Ca 0.00 1.42 -0.28 0.00 -0.22 0.00 0.00 54.13 55.05 2nef s LEU 100 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2nef s LEU 100 CO 0.00 -0.95 2.11 -0.63 -1.32 0.00 0.00 176.35 175.56 2nef s ILE 101 N 4.03 3.15 -0.46 6.68 -1.09 -1.26 -2.67 121.20 129.57 2nef s ILE 101 Ca 0.56 0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 58.85 2nef s ILE 101 Cb -0.19 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 2nef s ILE 101 CO 0.19 -0.15 1.97 -2.28 -1.23 0.00 0.00 174.94 173.45 2nef s HIS 102 N 8.38 1.56 0.00 3.97 5.65 0.79 -4.89 115.29 130.76 2nef s HIS 102 Ca 0.93 0.86 0.00 0.00 0.25 0.00 0.00 55.06 57.11 2nef s HIS 102 Cb -0.28 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.13 2nef s HIS 102 CO 0.33 -2.71 0.42 0.45 -0.65 0.00 0.00 174.74 172.58 2nef n SER 103 N 12.43 0.00 0.02 9.88 2.88 -1.26 -3.30 113.62 134.26 2nef n SER 103 Ca 0.25 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2nef n SER 103 Cb 0.50 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2nef n GLN 104 N -0.91 0.00 0.26 -1.46 7.27 -1.26 -4.75 117.38 116.53 2nef n GLN 104 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.22 2nef n GLN 104 Cb 0.00 0.00 0.57 0.00 2.41 0.00 0.00 30.24 33.22 2nef n GLN 104 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nef h ARG 105 N 0.00 0.00 -0.32 3.69 3.08 -2.02 -2.95 114.38 115.85 2nef h ARG 105 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2nef h ARG 105 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2nef h ARG 105 CO 0.00 0.04 0.26 -0.09 -1.07 0.00 0.00 179.97 179.10 2nef h ARG 106 N 0.00 0.00 -0.81 0.04 9.65 -1.96 0.41 114.38 121.70 2nef h ARG 106 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2nef h ARG 106 Cb 0.63 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 2nef h ARG 106 CO 0.00 0.00 0.37 0.37 2.80 0.00 0.00 179.97 183.51 2nef h GLN 107 N 0.00 1.19 -0.05 0.20 5.75 -1.92 -2.69 115.11 117.58 2nef h GLN 107 Ca 0.15 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2nef h GLN 107 Cb 0.67 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2nef h GLN 107 CO -0.00 0.93 -0.01 -0.44 -2.65 0.00 0.00 178.83 176.66 2nef h ASP 108 N 1.16 -0.04 -0.30 -0.69 3.32 -1.11 -2.73 116.42 116.04 2nef h ASP 108 Ca 0.28 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.41 2nef h ASP 108 Cb 0.16 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 2nef h ASP 108 CO -0.03 -0.02 -0.15 0.40 -1.72 0.00 0.00 179.24 177.73 2nef h ILE 109 N 0.00 0.55 -0.05 0.35 5.03 -1.44 0.02 117.51 121.97 2nef h ILE 109 Ca 0.02 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.77 2nef h ILE 109 Cb 0.04 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 34.36 2nef h ILE 109 CO -0.05 0.00 -0.07 0.25 -0.68 0.00 0.00 178.15 177.60 2nef h LEU 110 N -0.11 -0.24 -1.42 1.44 5.85 -1.18 0.30 115.31 119.96 2nef h LEU 110 Ca 0.15 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.08 2nef h LEU 110 Cb 0.34 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2nef h LEU 110 CO -0.36 -0.05 0.58 0.44 -0.34 0.00 0.00 178.44 178.70 2nef h ASP 111 N -0.05 0.50 0.38 1.25 3.32 -1.33 -2.33 116.42 118.16 2nef h ASP 111 Ca 0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2nef h ASP 111 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2nef h ASP 111 CO -0.08 0.22 -0.18 0.25 -1.72 0.00 0.00 179.24 177.73 2nef h LEU 112 N 0.51 -0.43 -0.74 1.55 6.46 0.10 -2.62 115.31 120.14 2nef h LEU 112 Ca 0.46 -0.11 0.16 0.00 -0.12 0.00 0.00 57.88 58.27 2nef h LEU 112 Cb 0.99 0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 40.92 2nef h LEU 112 CO -0.19 -0.12 0.15 -0.25 -0.62 0.00 0.00 178.44 177.40 2nef h TRP 113 N -0.76 0.22 -0.16 1.25 7.01 0.04 1.59 115.95 125.14 2nef h TRP 113 Ca -0.05 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.04 2nef h TRP 113 Cb 0.52 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 2nef h TRP 113 CO 0.00 -0.11 0.14 0.82 -2.79 0.00 0.00 178.44 176.50 2nef h ILE 114 N 0.24 0.70 0.00 2.65 2.04 -1.37 -3.11 117.51 118.65 2nef h ILE 114 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2nef h ILE 114 Cb 0.72 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2nef h ILE 114 CO -0.54 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.61 2nef n TYR 115 N -4.15 0.00 0.34 1.37 9.36 0.54 -2.63 117.16 121.98 2nef n TYR 115 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 2nef n TYR 115 Cb 0.26 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.59 2nef n TYR 115 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2nef n HIS 116 N -1.64 0.00 0.00 2.98 1.44 -1.12 -1.94 115.22 114.94 2nef n HIS 116 Ca 0.00 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 2nef n HIS 116 Cb 0.00 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.02 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2nef n THR 117 N 0.57 0.00 1.71 0.61 -2.24 -1.13 -4.05 114.28 109.75 2nef n THR 117 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2nef n THR 117 Cb 0.13 -0.04 0.84 0.00 -2.10 0.00 0.00 70.33 69.15 2nef n THR 117 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2nef n GLN 118 N -0.12 0.74 -2.02 -0.78 0.00 -1.08 -4.55 117.38 109.57 2nef n GLN 118 Ca 0.00 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.00 56.83 2nef n GLN 118 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nef n GLY 119 N 1.14 0.29 3.78 1.69 0.00 -0.82 -4.54 105.19 106.74 2nef n GLY 119 Ca 0.19 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -2.67 2.74 -0.52 1.61 2.02 -1.24 -4.67 117.35 114.62 2nef s TYR 120 Ca 0.00 1.49 -0.06 0.00 -0.37 0.00 0.00 57.07 58.13 2nef s TYR 120 Cb 0.00 -3.00 0.14 0.00 -0.40 0.00 0.00 41.96 38.69 2nef s TYR 120 CO 0.00 -1.65 0.36 0.12 -1.57 0.00 0.00 175.55 172.81 2nef s PHE 121 N -2.96 3.50 -0.95 2.71 2.19 -1.26 -4.58 117.98 116.63 2nef s PHE 121 Ca 0.60 -2.27 -0.20 0.00 0.33 0.00 0.00 56.93 55.40 2nef s PHE 121 Cb -0.16 -3.37 -0.26 0.00 -1.31 0.00 0.00 43.02 37.92 2nef s PHE 121 CO 0.56 -0.95 2.39 -2.30 1.83 0.00 0.00 175.22 176.75 2nef n PRO 122 N 4.36 0.11 -0.40 10.12 -0.02 -1.26 -4.44 135.00 143.47 2nef n PRO 122 Ca -0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2nef n PRO 122 Cb 0.41 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2nef n ASP 123 N 9.09 0.00 -0.02 2.55 5.68 -1.26 -4.88 116.55 127.70 2nef n ASP 123 Ca 0.64 -1.24 -0.01 0.00 -0.50 0.00 0.00 54.79 53.68 2nef n ASP 123 Cb 0.15 -0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 40.02 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N 0.00 0.00 -2.46 2.11 4.27 -1.26 -4.96 117.44 115.14 2nef n TRP 124 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.55 -0.30 -0.02 0.00 -1.36 0.00 0.00 31.31 30.18 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -2.34 4.26 -0.51 -2.67 0.00 -1.26 -4.62 119.66 112.52 2nef s GLN 125 Ca -0.03 1.62 0.06 0.00 -0.00 0.00 0.00 55.36 57.01 2nef s GLN 125 Cb 0.03 -3.71 0.19 0.00 0.00 0.00 0.00 33.01 29.53 2nef s GLN 125 CO 0.32 -0.64 0.76 0.09 0.00 0.00 0.00 175.29 175.82 2nef n ASN 126 N 6.29 -3.33 -4.29 12.60 3.02 -1.26 -5.09 115.26 123.20 2nef n ASN 126 Ca 0.13 -2.85 -0.29 0.00 -0.03 0.00 0.00 54.58 51.54 2nef n ASN 126 Cb 0.45 1.72 0.22 0.00 -0.61 0.00 0.00 39.78 41.55 2nef n ASN 126 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2nef s TYR 127 N 0.86 1.30 0.90 3.10 1.51 -1.26 -2.76 117.35 121.00 2nef s TYR 127 Ca 0.30 0.80 -0.12 0.00 -1.01 0.00 0.00 57.07 57.03 2nef s TYR 127 Cb 0.02 -3.30 0.07 0.00 -0.11 0.00 0.00 41.96 38.65 2nef s TYR 127 CO -0.07 -3.49 0.76 0.25 -1.11 0.00 0.00 175.55 171.89 2nef n THR 128 N -4.56 0.46 0.00 -0.71 -2.24 -1.16 -4.76 114.28 101.31 2nef n THR 128 Ca 0.08 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2nef n THR 128 Cb 0.58 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 2nef n THR 128 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2nef n PRO 129 N -2.61 0.00 -2.60 -0.78 -0.02 -1.26 -4.69 135.00 123.04 2nef n PRO 129 Ca 0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 2nef n PRO 129 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.03 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 130 N 0.00 3.00 0.00 -1.23 0.00 -1.26 -5.09 105.19 100.61 2nef n GLY 130 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2nef n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nef n PRO 131 N -0.25 1.89 0.02 1.61 -0.04 -1.26 -5.00 135.00 131.96 2nef n PRO 131 Ca 0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 2nef n PRO 131 Cb 0.78 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 34.10 2nef n PRO 131 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2nef h GLY 132 N 0.00 0.28 0.00 0.55 0.00 -2.00 -3.47 103.07 98.43 2nef h GLY 132 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2nef h GLY 132 CO 0.00 0.62 0.00 1.39 0.00 0.00 0.00 176.54 178.55 2nef n ILE 133 N -4.07 0.00 -3.15 2.60 -0.00 -1.26 -4.43 119.36 109.05 2nef n ILE 133 Ca -0.20 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.57 2nef n ILE 133 Cb 0.83 -1.27 -0.01 0.00 -0.00 0.00 0.00 39.64 39.20 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2nef s ARG 134 N -1.43 0.66 -0.30 0.38 0.52 -1.09 -4.92 118.95 112.78 2nef s ARG 134 Ca 0.00 -0.01 -0.21 0.00 -0.52 0.00 0.00 55.73 54.99 2nef s ARG 134 Cb 0.00 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.59 2nef s ARG 134 CO 0.00 -1.01 0.67 0.71 0.02 0.00 0.00 175.30 175.68 2nef s TYR 135 N 2.16 3.22 -0.31 -0.53 1.51 -1.26 -2.87 117.35 119.27 2nef s TYR 135 Ca 0.15 0.65 -0.38 0.00 -1.01 0.00 0.00 57.07 56.48 2nef s TYR 135 Cb -0.05 -3.03 -0.14 0.00 -0.11 0.00 0.00 41.96 38.63 2nef s TYR 135 CO -0.13 -0.49 1.99 -2.30 -1.11 0.00 0.00 175.55 173.51 2nef n PRO 136 N 5.94 1.13 -0.29 -1.71 -0.02 -1.26 -3.00 135.00 135.79 2nef n PRO 136 Ca 0.00 0.37 -0.03 0.00 -2.02 0.00 0.00 63.50 61.82 2nef n PRO 136 Cb 0.49 -2.27 0.13 0.00 -0.02 0.00 0.00 33.50 31.83 2nef n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2nef h LEU 137 N 9.86 1.04-10.15 2.45 3.38 -1.81 -3.42 115.31 116.66 2nef h LEU 137 Ca -0.35 -0.08 -0.52 0.00 0.09 0.00 0.00 57.88 57.01 2nef h LEU 137 Cb 1.32 -0.27 0.12 0.00 0.09 0.00 0.00 40.66 41.93 2nef h LEU 137 CO 1.00 0.83 0.41 0.42 0.09 0.00 0.00 178.44 181.19 2nef s THR 138 N -5.80 2.80 0.20 0.22 -4.23 -1.26 -4.98 115.64 102.59 2nef s THR 138 Ca -0.12 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 2nef s THR 138 Cb 0.17 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2nef s THR 138 CO 0.82 -0.18 0.36 0.12 -0.54 0.00 0.00 174.62 175.19 2nef s PHE 139 N -1.97 3.48 0.00 3.99 5.36 -1.26 -4.39 117.98 123.18 2nef s PHE 139 Ca 0.72 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 2nef s PHE 139 Cb -0.26 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 2nef s PHE 139 CO 0.39 0.42 0.00 0.41 -1.46 0.00 0.00 175.22 174.98 2nef n GLY 140 N -0.82 2.76 3.55 13.12 0.00 -1.26 -4.89 105.19 117.65 2nef n GLY 140 Ca -0.06 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -1.48 2.00 -0.02 1.61 -0.00 -1.26 -3.70 118.94 116.08 2nef s TRP 141 Ca 0.00 0.27 -0.04 0.00 -0.00 0.00 0.00 56.10 56.33 2nef s TRP 141 Cb 0.00 -4.33 -0.15 0.00 -0.00 0.00 0.00 33.47 29.00 2nef s TRP 141 CO 0.00 -2.07 2.96 0.00 -0.00 0.00 0.00 176.95 177.84 2nef s TYR 143 N 0.46 3.13 -0.33 0.00 2.02 -1.26 -1.70 117.35 119.67 2nef s TYR 143 Ca 0.41 -2.74 -0.13 0.00 -0.37 0.00 0.00 57.07 54.24 2nef s TYR 143 Cb 0.20 -2.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.15 2nef s TYR 143 CO -0.01 -0.89 0.24 0.15 -1.57 0.00 0.00 175.55 173.48 2nef s LYS 144 N 0.80 3.57 0.29 -0.62 1.02 -0.97 -4.56 119.74 119.27 2nef s LYS 144 Ca 0.12 -0.57 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 2nef s LYS 144 Cb -0.20 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.23 2nef s LYS 144 CO -0.09 -0.41 1.01 -0.51 -0.92 0.00 0.00 175.35 174.43 2nef s LEU 145 N 1.75 4.51 -0.20 3.17 1.43 -1.14 -1.47 118.68 126.74 2nef s LEU 145 Ca 0.07 2.06 -0.15 0.00 -1.03 0.00 0.00 54.13 55.07 2nef s LEU 145 Cb -0.17 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.36 2nef s LEU 145 CO 0.11 -0.06 0.51 -0.69 0.23 0.00 0.00 176.35 176.45 2nef s VAL 146 N -1.30 -0.01 -0.92 -1.59 1.01 -1.06 -2.65 120.40 113.88 2nef s VAL 146 Ca 0.46 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 2nef s VAL 146 Cb -0.26 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.47 2nef s VAL 146 CO 0.33 0.01 1.27 -2.16 0.00 0.00 0.00 175.10 174.55 2nef s PRO 147 N 0.71 3.51 0.00 2.72 0.04 -1.26 -3.16 135.00 137.56 2nef s PRO 147 Ca -0.04 -1.25 0.00 0.00 0.04 0.00 0.00 61.00 59.76 2nef s PRO 147 Cb -0.05 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.51 2nef s PRO 147 CO -0.05 -2.00 0.00 0.28 0.04 0.00 0.00 177.00 175.27 2nef n VAL 148 N 6.23 0.00 -3.03 -0.36 0.31 -1.26 -5.06 118.33 115.16 2nef n VAL 148 Ca 0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.42 2nef n VAL 148 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 2nef n VAL 148 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nef n GLU 149 N 0.00 0.43 0.00 5.55 -0.58 -1.26 -4.99 120.64 119.79 2nef n GLU 149 Ca 0.00 -2.53 0.00 0.00 -0.42 0.00 0.00 57.16 54.21 2nef n GLU 149 Cb 0.00 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 2nef n GLU 149 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2nef n PRO 150 N 2.70 0.00 -1.76 3.49 -0.02 -1.26 -4.72 135.00 133.44 2nef n PRO 150 Ca 0.22 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2nef n PRO 150 Cb 0.53 -1.30 0.01 0.00 -0.02 0.00 0.00 33.50 32.72 2nef n PRO 150 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 151 N -0.58 2.34 0.00 -0.52 1.02 -1.26 -5.00 120.64 116.65 2nef n GLU 151 Ca 0.00 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2nef n GLU 151 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 28.81 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nef n LYS 152 N 0.04 0.00 -0.89 3.49 5.02 -1.26 -5.03 118.16 119.53 2nef n LYS 152 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 2nef n LYS 152 Cb 0.40 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.51 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2nef n LEU 153 N 0.00 0.00 -4.77 -0.35 7.99 -1.26 -5.00 117.00 113.61 2nef n LEU 153 Ca 0.00 -0.68 -0.38 0.00 -0.01 0.00 0.00 56.01 54.94 2nef n LEU 153 Cb 0.00 -0.47 -0.04 0.00 -0.11 0.00 0.00 43.42 42.80 2nef n LEU 153 CO 0.00 -0.94 0.77 -1.83 -1.51 0.00 0.00 177.39 173.88 2nef s GLU 154 N -4.33 4.32 -0.07 3.23 -1.05 -1.26 -5.03 118.70 114.51 2nef s GLU 154 Ca 0.35 1.67 -0.30 0.00 -0.15 0.00 0.00 54.97 56.54 2nef s GLU 154 Cb -0.01 -2.80 0.10 0.00 -0.44 0.00 0.00 34.13 30.98 2nef s GLU 154 CO 0.24 -0.04 0.84 -1.83 0.95 0.00 0.00 175.26 175.43 2nef s GLU 155 N -2.08 0.84 -0.49 -4.83 -1.05 -1.26 -5.09 118.70 104.75 2nef s GLU 155 Ca 0.53 0.04 -0.27 0.00 -0.15 0.00 0.00 54.97 55.13 2nef s GLU 155 Cb -0.27 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 2nef s GLU 155 CO 0.34 -0.30 2.13 0.00 0.95 0.00 0.00 175.26 178.39 2nef s ALA 156 N -1.74 2.06 -0.30 -0.84 0.00 -1.26 -4.86 121.76 114.81 2nef s ALA 156 Ca -0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2nef s ALA 156 Cb -0.00 -4.27 0.16 0.00 0.00 0.00 0.00 23.12 19.00 2nef s ALA 156 CO 0.01 -3.91 0.79 1.21 0.00 0.00 0.00 175.76 173.86 2nef s ASN 157 N 9.74 -0.93 -0.55 0.00 2.47 -1.26 -5.10 114.94 119.30 2nef s ASN 157 Ca 0.85 1.09 -0.28 0.00 0.42 0.00 0.00 52.86 54.94 2nef s ASN 157 Cb -0.18 1.98 0.01 0.00 -1.45 0.00 0.00 41.25 41.62 2nef s ASN 157 CO 0.26 -0.18 1.45 -0.54 -3.72 0.00 0.00 177.10 174.37 2nef s LYS 158 N 2.74 3.27 -0.98 0.43 1.02 -1.26 -4.93 119.74 120.03 2nef s LYS 158 Ca -0.00 0.50 -0.16 0.00 0.02 0.00 0.00 55.97 56.33 2nef s LYS 158 Cb -0.10 -4.14 0.16 0.00 -0.52 0.00 0.00 37.83 33.23 2nef s LYS 158 CO -0.18 -1.97 1.13 0.34 -0.92 0.00 0.00 175.35 173.74 2nef s ASP 174 N 4.66 6.79 0.34 2.83 2.15 -1.26 -5.02 116.67 127.16 2nef s ASP 174 Ca 0.54 -2.45 -0.16 0.00 0.43 0.00 0.00 52.55 50.90 2nef s ASP 174 Cb -0.11 -2.35 -0.09 0.00 -0.30 0.00 0.00 42.92 40.06 2nef s ASP 174 CO 0.25 -0.86 0.78 -1.81 -0.17 0.00 0.00 175.17 173.36 2nef s ASP 175 N 3.06 6.81 0.00 -0.34 1.11 -1.26 -4.93 116.67 121.12 2nef s ASP 175 Ca 0.32 1.37 -0.03 0.00 0.18 0.00 0.00 52.55 54.38 2nef s ASP 175 Cb -0.06 -2.41 -0.15 0.00 1.07 0.00 0.00 42.92 41.37 2nef s ASP 175 CO -0.07 -0.23 2.38 -0.81 1.18 0.00 0.00 175.17 177.61 2nef n PRO 176 N -0.41 1.22 0.00 8.23 -0.04 -1.26 -4.66 135.00 138.07 2nef n PRO 176 Ca 0.04 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 2nef n PRO 176 Cb 0.53 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2nef n PRO 176 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2nef n GLU 177 N 2.57 0.00 -2.55 0.54 0.28 -1.26 -4.62 120.64 115.60 2nef n GLU 177 Ca 0.25 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.83 2nef n GLU 177 Cb 0.56 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.42 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2nef s ARG 178 N 0.00 3.85 -0.21 3.44 3.52 -1.26 -4.95 118.95 123.34 2nef s ARG 178 Ca 0.00 -1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 53.47 2nef s ARG 178 Cb 0.00 -5.50 -0.00 0.00 -1.56 0.00 0.00 34.95 27.89 2nef s ARG 178 CO 0.00 -2.35 1.20 -1.83 -0.81 0.00 0.00 175.30 171.51 2nef s GLU 179 N 4.46 4.18 0.59 5.12 -1.05 -1.26 -5.02 118.70 125.72 2nef s GLU 179 Ca 0.54 1.48 -0.05 0.00 -0.15 0.00 0.00 54.97 56.79 2nef s GLU 179 Cb 0.03 -3.75 0.02 0.00 -0.44 0.00 0.00 34.13 29.99 2nef s GLU 179 CO 0.06 -0.77 0.89 0.08 0.95 0.00 0.00 175.26 176.47 2nef s VAL 180 N 3.58 3.42 0.10 1.83 1.01 -1.26 -5.07 120.40 124.01 2nef s VAL 180 Ca 0.52 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.46 2nef s VAL 180 Cb -0.19 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2nef s VAL 180 CO 0.14 -0.36 -0.17 -0.76 0.00 0.00 0.00 175.10 173.95 2nef s LEU 181 N -4.98 2.74 0.02 3.92 2.01 -1.21 -4.57 118.68 116.60 2nef s LEU 181 Ca 0.55 -0.50 0.09 0.00 0.01 0.00 0.00 54.13 54.27 2nef s LEU 181 Cb -0.10 -1.58 -0.02 0.00 0.01 0.00 0.00 46.19 44.49 2nef s LEU 181 CO 0.44 0.20 -0.26 -1.83 1.01 0.00 0.00 176.35 175.91 2nef s GLU 182 N -1.99 1.90 -0.28 1.70 -1.05 -1.19 0.28 118.70 118.07 2nef s GLU 182 Ca 0.18 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.68 2nef s GLU 182 Cb -0.11 -1.97 -0.00 0.00 -0.44 0.00 0.00 34.13 31.61 2nef s GLU 182 CO 0.09 0.52 1.33 -1.58 0.95 0.00 0.00 175.26 176.58 2nef s TRP 183 N -0.72 2.63 -0.59 4.83 0.51 -1.09 -2.56 118.94 121.95 2nef s TRP 183 Ca 0.11 0.84 -0.16 0.00 -2.12 0.00 0.00 56.10 54.77 2nef s TRP 183 Cb -0.10 -3.89 0.14 0.00 -0.81 0.00 0.00 33.47 28.81 2nef s TRP 183 CO 0.01 -1.85 0.57 0.50 -0.51 0.00 0.00 176.95 175.67 2nef s ARG 184 N 4.18 3.08 0.15 4.98 3.52 -0.54 -0.93 118.95 133.40 2nef s ARG 184 Ca 0.58 -1.74 -0.31 0.00 -0.13 0.00 0.00 55.73 54.13 2nef s ARG 184 Cb -0.18 -4.32 -0.08 0.00 -1.56 0.00 0.00 34.95 28.81 2nef s ARG 184 CO 0.23 -1.36 1.34 0.12 -0.81 0.00 0.00 175.30 174.82 2nef s PHE 185 N 1.60 3.26 -0.47 5.12 2.19 -1.26 -2.30 117.98 126.12 2nef s PHE 185 Ca 0.06 1.10 0.06 0.00 0.33 0.00 0.00 56.93 58.49 2nef s PHE 185 Cb -0.26 -3.63 0.24 0.00 -1.31 0.00 0.00 43.02 38.06 2nef s PHE 185 CO 0.02 -2.10 0.81 -3.47 1.83 0.00 0.00 175.22 172.31 2nef n ASP 186 N 3.31 -2.20 0.01 6.13 2.03 -0.69 -4.97 116.55 120.17 2nef n ASP 186 Ca 0.09 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.22 2nef n ASP 186 Cb 0.43 1.28 0.01 0.00 -0.72 0.00 0.00 41.12 42.12 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2nef n SER 187 N 1.57 0.01 0.27 1.67 3.41 -1.26 -0.33 113.62 118.95 2nef n SER 187 Ca 0.12 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 2nef n SER 187 Cb 0.61 -0.14 0.74 0.00 -0.26 0.00 0.00 64.21 65.15 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2nef h ARG 188 N 0.00 0.00 0.00 4.33 3.08 -1.93 0.13 114.38 119.99 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nef h ARG 188 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2nef h ARG 188 CO 0.00 0.06 0.00 -0.11 -1.07 0.00 0.00 179.97 178.85 2nef n LEU 189 N -4.02 0.00 0.00 3.04 0.00 0.55 -1.71 117.00 114.86 2nef n LEU 189 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.10 2nef n LEU 189 Cb 0.15 -0.00 0.54 0.00 0.00 0.00 0.00 43.42 44.10 2nef n LEU 189 CO 0.31 -0.00 0.85 0.00 0.00 0.00 0.00 177.39 178.55 2nef n ALA 190 N -1.00 2.11 0.00 1.96 0.00 0.46 -3.99 120.51 120.04 2nef n ALA 190 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 190 Cb 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -1.33 0.00 -0.61 0.00 1.16 -0.69 -4.99 117.46 111.00 2nef n PHE 191 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 2nef n PHE 191 Cb 0.19 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.06 2nef n PHE 191 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2nef n HIS 192 N -0.89 -3.03 -2.69 2.97 -0.00 -1.11 -5.07 115.22 105.41 2nef n HIS 192 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2nef n HIS 192 Cb 0.02 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.92 2nef n HIS 192 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2nef n HIS 193 N -2.09 -1.28 0.08 1.57 1.44 -1.26 -4.90 115.22 108.78 2nef n HIS 193 Ca 0.00 -0.79 -0.22 0.00 -2.01 0.00 0.00 57.72 54.70 2nef n HIS 193 Cb 0.00 1.16 -0.15 0.00 0.12 0.00 0.00 29.99 31.12 2nef n HIS 193 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2nef h MET 194 N 4.32 0.39 -0.96 -1.40 4.05 -1.97 -2.99 114.93 116.36 2nef h MET 194 Ca 0.00 -0.66 0.11 0.00 -0.28 0.00 0.00 59.70 58.88 2nef h MET 194 Cb 1.16 0.25 -0.08 0.00 -0.80 0.00 0.00 31.60 32.12 2nef h MET 194 CO -0.09 1.32 0.60 0.00 0.23 0.00 0.00 176.91 178.96 2nef h ALA 195 N 0.10 1.43 -0.12 0.39 0.00 -1.95 0.30 119.26 119.40 2nef h ALA 195 Ca -0.20 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2nef h ALA 195 Cb 1.85 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2nef h ALA 195 CO 0.19 0.22 -0.29 -0.09 0.00 0.00 0.00 179.25 179.27 2nef h ARG 196 N 0.96 0.41 0.00 0.00 2.43 -1.91 -2.93 114.38 113.35 2nef h ARG 196 Ca 0.47 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2nef h ARG 196 Cb 0.43 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2nef h ARG 196 CO -0.25 0.89 0.00 1.49 -1.51 0.00 0.00 179.97 180.59 2nef h GLU 197 N -0.00 0.00 0.00 0.20 4.81 -1.25 -3.21 114.58 115.13 2nef h GLU 197 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nef h GLU 197 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2nef h GLU 197 CO 0.06 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.62 2nef n LEU 198 N -2.55 0.58 -3.28 1.64 4.77 0.10 -4.86 117.00 113.41 2nef n LEU 198 Ca 0.02 0.44 -0.20 0.00 -0.03 0.00 0.00 56.01 56.24 2nef n LEU 198 Cb 0.26 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 2nef n LEU 198 CO 0.23 -0.39 -0.19 -1.38 -1.33 0.00 0.00 177.39 174.32 2nef s HIS 199 N -0.96 0.13 -0.57 -1.77 -3.43 -1.12 -5.10 115.29 102.47 2nef s HIS 199 Ca 0.00 -1.47 -0.25 0.00 -0.80 0.00 0.00 55.06 52.54 2nef s HIS 199 Cb 0.00 -0.53 0.04 0.00 -1.43 0.00 0.00 32.58 30.66 2nef s HIS 199 CO 0.00 -0.95 1.01 -1.25 -2.00 0.00 0.00 174.74 171.55 2nef s PRO 200 N 0.74 3.35 0.00 -0.38 0.04 -1.21 -4.86 135.00 132.68 2nef s PRO 200 Ca 0.26 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.11 2nef s PRO 200 Cb -0.06 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2nef s PRO 200 CO -0.09 -1.58 0.00 0.39 0.04 0.00 0.00 177.00 175.76 2nef n GLU 201 N 7.77 0.00 0.00 4.56 4.71 -1.26 -4.67 120.64 131.75 2nef n GLU 201 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 2nef n GLU 201 Cb 0.48 -0.08 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2nef n TYR 202 N -2.19 0.00 -2.37 -0.32 4.02 -1.26 -4.79 117.16 110.25 2nef n TYR 202 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 2nef n TYR 202 Cb 0.00 -0.06 0.09 0.00 -0.02 0.00 0.00 39.34 39.35 2nef n TYR 202 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2nef n PHE 203 N -0.12 -3.22 -3.56 -0.72 3.01 -1.26 -5.12 117.46 106.47 2nef n PHE 203 Ca 0.00 -1.17 -0.17 0.00 1.01 0.00 0.00 57.45 57.13 2nef n PHE 203 Cb 0.15 -0.54 -0.06 0.00 -0.01 0.00 0.00 39.48 39.02 2nef n PHE 203 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2nef s LYS 204 N -4.40 1.01 1.32 -1.08 -2.85 -1.26 -5.13 119.74 107.35 2nef s LYS 204 Ca 0.47 0.11 -0.22 0.00 -1.00 0.00 0.00 55.97 55.33 2nef s LYS 204 Cb -0.02 0.47 0.34 0.00 -2.06 0.00 0.00 37.83 36.56 2nef s LYS 204 CO 0.32 -0.32 0.82 0.27 0.10 0.00 0.00 175.35 176.53 2nef n ASN 205 N 0.86 -3.77 -0.11 0.03 0.23 -1.26 -5.20 115.26 106.04 2nef n ASN 205 Ca -0.19 -0.84 0.16 0.00 -0.53 0.00 0.00 54.58 53.17 2nef n ASN 205 Cb 0.58 -0.91 0.86 0.00 -2.08 0.00 0.00 39.78 38.22 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33