#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 0.39 0.00 0.00 5.08 -1.99 -2.90 115.95 116.53 2nef h TRP 57 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 58.89 59.83 2nef h TRP 57 Cb 0.00 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.09 2nef h TRP 57 CO 0.00 0.82 0.00 -0.11 -1.28 0.00 0.00 178.44 177.87 2nef n LEU 58 N -3.89 1.28 -2.52 0.11 7.94 -1.26 -4.15 117.00 114.50 2nef n LEU 58 Ca -0.03 0.25 -0.16 0.00 -1.11 0.00 0.00 56.01 54.97 2nef n LEU 58 Cb 0.61 -0.27 -0.09 0.00 0.53 0.00 0.00 43.42 44.20 2nef n LEU 58 CO 0.45 -0.27 1.86 1.21 -1.11 0.00 0.00 177.39 179.53 2nef n GLU 59 N -1.36 1.95 -2.19 1.96 4.07 -1.26 -4.86 120.64 118.95 2nef n GLU 59 Ca 0.00 -1.11 -0.41 0.00 -0.06 0.00 0.00 57.16 55.58 2nef n GLU 59 Cb 0.00 -2.13 -0.03 0.00 -0.06 0.00 0.00 31.44 29.22 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nef s ALA 60 N 1.99 2.61 0.00 4.31 0.00 -1.10 -4.91 121.76 124.67 2nef s ALA 60 Ca 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2nef s ALA 60 Cb 0.20 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2nef s ALA 60 CO -0.02 -3.18 0.00 1.04 0.00 0.00 0.00 175.76 173.60 2nef n GLN 61 N 8.78 0.00 0.00 0.00 6.02 -1.26 -5.02 117.38 125.90 2nef n GLN 61 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2nef n GLN 61 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 2nef n GLN 61 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2nef n GLU 62 N 0.00 0.00 -1.59 -1.09 -0.00 -1.26 -5.11 120.64 111.59 2nef n GLU 62 Ca 0.00 -0.04 -0.49 0.00 -0.00 0.00 0.00 57.16 56.63 2nef n GLU 62 Cb 0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 31.44 31.29 2nef n GLU 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2nef n GLU 63 N 0.00 1.24 0.10 3.44 4.71 -1.26 -4.85 120.64 124.03 2nef n GLU 63 Ca 0.00 0.44 -0.03 0.00 -0.01 0.00 0.00 57.16 57.56 2nef n GLU 63 Cb 0.35 -1.97 0.03 0.00 -1.01 0.00 0.00 31.44 28.84 2nef n GLU 63 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2nef h GLU 64 N 3.54 0.00 -4.86 3.49 4.81 -2.05 -3.37 114.58 116.14 2nef h GLU 64 Ca -0.44 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.07 2nef h GLU 64 Cb 1.34 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.57 2nef h GLU 64 CO 0.71 0.77 1.75 0.39 -0.73 0.00 0.00 179.01 181.89 2nef n GLU 65 N -3.50 3.33 -1.11 1.92 -0.58 -1.26 -4.83 120.64 114.61 2nef n GLU 65 Ca -0.00 -3.60 -0.16 0.00 -0.42 0.00 0.00 57.16 52.98 2nef n GLU 65 Cb 0.77 -3.16 -0.13 0.00 -0.57 0.00 0.00 31.44 28.35 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2nef n VAL 66 N 4.95 3.05 0.00 2.62 0.31 -1.26 -4.88 118.33 123.11 2nef n VAL 66 Ca 0.41 -1.86 0.00 0.00 -0.01 0.00 0.00 64.34 62.89 2nef n VAL 66 Cb 0.43 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 2.03 0.22 3.87 2.92 0.00 -1.26 -4.58 105.19 108.39 2nef n GLY 67 Ca 0.43 0.67 -0.31 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 3.43 -0.39 1.61 0.08 -1.26 -5.02 117.98 116.43 2nef s PHE 68 Ca 0.00 0.92 -0.29 0.00 0.12 0.00 0.00 56.93 57.68 2nef s PHE 68 Cb 0.00 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 2nef s PHE 68 CO 0.00 0.17 1.33 -1.25 -0.10 0.00 0.00 175.22 175.37 2nef s PRO 69 N -3.11 3.71 -0.15 0.24 0.04 -1.26 -4.99 135.00 129.48 2nef s PRO 69 Ca 0.49 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 2nef s PRO 69 Cb -0.11 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 2nef s PRO 69 CO 0.23 -1.39 0.98 0.14 0.04 0.00 0.00 177.00 177.01 2nef s VAL 70 N 4.92 4.78 0.28 -0.36 -7.23 -1.26 -5.03 120.40 116.50 2nef s VAL 70 Ca 0.57 1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 62.55 2nef s VAL 70 Cb -0.14 -4.28 -0.09 0.00 0.56 0.00 0.00 36.38 32.44 2nef s VAL 70 CO 0.29 -0.03 0.72 0.42 -0.31 0.00 0.00 175.10 176.18 2nef s THR 71 N 2.31 4.67 0.00 5.32 -4.23 -1.24 -5.00 115.64 117.47 2nef s THR 71 Ca 0.45 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 2nef s THR 71 Cb -0.17 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2nef s THR 71 CO 0.14 -0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 173.35 2nef n PRO 72 N -0.03 0.97 -1.92 3.99 -0.04 -1.26 -3.39 135.00 133.33 2nef n PRO 72 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 2nef n PRO 72 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 2nef n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2nef s GLN 73 N -0.06 2.45 0.84 0.54 -1.52 -1.26 -4.45 119.66 116.20 2nef s GLN 73 Ca 0.00 0.58 -0.08 0.00 -1.95 0.00 0.00 55.36 53.91 2nef s GLN 73 Cb 0.00 -4.58 0.17 0.00 -0.22 0.00 0.00 33.01 28.38 2nef s GLN 73 CO 0.00 -3.07 1.16 0.14 -0.25 0.00 0.00 175.29 173.27 2nef s VAL 74 N 10.22 2.05 0.11 1.09 -7.23 0.19 -4.94 120.40 121.89 2nef s VAL 74 Ca 0.75 -0.31 -0.35 0.00 -1.81 0.00 0.00 61.98 60.26 2nef s VAL 74 Cb -0.12 -2.75 -0.17 0.00 0.56 0.00 0.00 36.38 33.90 2nef s VAL 74 CO 0.17 0.00 1.05 -2.65 -0.31 0.00 0.00 175.10 173.36 2nef n PRO 75 N -3.30 0.61 -1.65 4.82 -0.02 -1.26 -4.28 135.00 129.91 2nef n PRO 75 Ca 0.15 0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 2nef n PRO 75 Cb 0.60 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.81 3.34 -0.20 2.45 1.43 -1.26 -4.19 118.68 121.06 2nef s LEU 76 Ca 0.79 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 54.45 2nef s LEU 76 Cb -1.01 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 42.70 2nef s LEU 76 CO 0.54 -2.88 0.93 -0.13 0.23 0.00 0.00 176.35 175.03 2nef s ARG 77 N 8.08 4.27 -0.44 1.70 0.52 -1.24 -4.95 118.95 126.90 2nef s ARG 77 Ca 0.91 1.16 -0.44 0.00 -0.52 0.00 0.00 55.73 56.85 2nef s ARG 77 Cb -0.16 -3.61 -0.18 0.00 0.52 0.00 0.00 34.95 31.52 2nef s ARG 77 CO 0.23 -0.48 1.79 -2.30 0.02 0.00 0.00 175.30 174.56 2nef n PRO 78 N 5.79 0.37 -1.79 3.54 -0.02 -1.26 -4.76 135.00 136.86 2nef n PRO 78 Ca 0.08 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2nef n PRO 78 Cb 0.47 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 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 4.01 4.02 0.23 -0.52 1.75 -1.26 -4.95 119.30 122.58 2nef s MET 79 Ca 1.07 2.36 -0.17 0.00 -1.25 0.00 0.00 55.69 57.70 2nef s MET 79 Cb -1.35 -4.13 -0.08 0.00 2.84 0.00 0.00 34.83 32.12 2nef s MET 79 CO 0.72 -1.07 0.68 0.95 -0.65 0.00 0.00 175.02 175.65 2nef s THR 80 N 4.80 4.66 0.26 10.11 -4.23 -1.26 -4.90 115.64 125.09 2nef s THR 80 Ca 0.84 1.10 -0.01 0.00 -1.18 0.00 0.00 61.69 62.44 2nef s THR 80 Cb -0.38 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 69.93 2nef s THR 80 CO 0.37 0.13 1.74 0.22 -0.54 0.00 0.00 174.62 176.53 2nef h TYR 81 N 3.20 0.66 0.00 3.99 3.20 -1.92 2.59 116.97 128.68 2nef h TYR 81 Ca -0.48 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.43 2nef h TYR 81 Cb 1.19 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 2nef h TYR 81 CO 0.64 0.09 -0.01 -0.22 -1.64 0.00 0.00 178.16 177.02 2nef h LYS 82 N 0.52 0.00 -0.65 1.82 3.64 -1.94 -0.85 116.57 119.10 2nef h LYS 82 Ca 0.47 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.81 2nef h LYS 82 Cb 0.74 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2nef h LYS 82 CO -0.41 0.01 0.25 0.00 -2.27 0.00 0.00 179.45 177.02 2nef h ALA 83 N 1.99 1.21 0.17 5.00 0.00 0.42 0.95 119.26 128.99 2nef h ALA 83 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2nef h ALA 83 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2nef h ALA 83 CO 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 2nef h ALA 84 N 1.32 -0.23 -0.76 0.00 0.00 -0.65 0.01 119.26 118.96 2nef h ALA 84 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2nef h ALA 84 Cb 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2nef h ALA 84 CO -0.02 -0.48 0.30 0.28 0.00 0.00 0.00 179.25 179.33 2nef h VAL 85 N -0.52 1.26 0.15 0.00 2.07 -1.34 0.51 116.25 118.37 2nef h VAL 85 Ca -0.02 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2nef h VAL 85 Cb 0.40 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2nef h VAL 85 CO 0.04 0.33 -0.07 0.44 0.02 0.00 0.00 177.57 178.32 2nef h ASP 86 N 1.09 -0.17 -0.67 0.57 3.32 -0.77 -2.17 116.42 117.62 2nef h ASP 86 Ca 0.25 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2nef h ASP 86 Cb 0.22 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2nef h ASP 86 CO -0.02 -0.03 0.42 0.25 -1.72 0.00 0.00 179.24 178.14 2nef h LEU 87 N -0.31 0.80 -0.36 1.55 5.85 -0.71 -0.12 115.31 122.02 2nef h LEU 87 Ca -0.02 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2nef h LEU 87 Cb 0.24 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2nef h LEU 87 CO 0.03 0.61 -0.04 0.77 -0.34 0.00 0.00 178.44 179.47 2nef h SER 88 N 0.93 -0.24 0.40 1.25 4.64 0.62 -0.89 113.55 120.27 2nef h SER 88 Ca 0.25 0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 2nef h SER 88 Cb -0.05 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2nef h SER 88 CO -0.05 -0.08 -0.80 0.45 -0.87 0.00 0.00 176.83 175.49 2nef h HIS 89 N 0.05 0.43 0.42 4.77 3.86 -0.89 -2.61 115.15 121.18 2nef h HIS 89 Ca 0.17 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2nef h HIS 89 Cb 0.26 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2nef h HIS 89 CO -0.29 0.98 -0.39 0.35 0.86 0.00 0.00 177.93 179.44 2nef h PHE 90 N 0.19 -1.07 0.00 2.45 3.04 -0.24 -1.19 116.94 120.12 2nef h PHE 90 Ca -0.04 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2nef h PHE 90 Cb 1.39 0.41 -0.00 0.00 2.56 0.00 0.00 35.95 40.31 2nef h PHE 90 CO 0.04 -0.55 -0.05 -0.07 -2.02 0.00 0.00 178.31 175.65 2nef h LEU 91 N -0.83 0.00 -1.43 0.59 3.38 -1.25 -2.30 115.31 113.48 2nef h LEU 91 Ca -0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2nef h LEU 91 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2nef h LEU 91 CO -0.05 0.05 0.40 0.50 0.09 0.00 0.00 178.44 179.44 2nef h LYS 92 N 0.00 0.74 0.00 1.13 3.64 -0.81 0.76 116.57 122.03 2nef h LYS 92 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2nef h LYS 92 Cb 0.13 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2nef h LYS 92 CO 0.01 0.49 0.00 0.39 -2.27 0.00 0.00 179.45 178.07 2nef n GLU 93 N -4.46 0.00 0.09 1.90 1.02 -0.87 -4.55 120.64 113.77 2nef n GLU 93 Ca 0.07 0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 57.06 2nef n GLU 93 Cb 0.09 -0.77 -0.15 0.00 -0.02 0.00 0.00 31.44 30.59 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2nef h LYS 94 N 0.00 0.40 -5.14 3.49 1.79 -1.64 -3.41 116.57 112.06 2nef h LYS 94 Ca 0.00 -0.68 -0.02 0.00 -2.18 0.00 0.00 60.65 57.77 2nef h LYS 94 Cb 0.00 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2nef h LYS 94 CO 0.00 1.33 0.24 0.41 -1.08 0.00 0.00 179.45 180.35 2nef n GLY 95 N 1.71 -0.33 2.24 3.86 0.00 0.26 -4.70 105.19 108.23 2nef n GLY 95 Ca -0.17 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 6.09 1.89 0.08 -0.02 0.00 -1.25 -4.08 105.19 107.90 2nef n GLY 96 Ca 0.39 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 5.43 0.12 -9.47 0.99 5.85 -1.84 -3.42 115.31 112.98 2nef h LEU 97 Ca 0.08 -0.15 -0.60 0.00 0.84 0.00 0.00 57.88 58.05 2nef h LEU 97 Cb 0.69 -0.04 0.12 0.00 0.37 0.00 0.00 40.66 41.79 2nef h LEU 97 CO 0.36 1.12 0.07 1.21 -0.34 0.00 0.00 178.44 180.86 2nef n GLU 98 N -3.34 1.25 -0.55 1.25 0.00 -1.26 -0.41 120.64 117.58 2nef n GLU 98 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.53 2nef n GLU 98 Cb 0.99 -1.82 0.00 0.00 0.00 0.00 0.00 31.44 30.61 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nef n GLY 99 N 1.28 0.00 3.57 8.31 0.00 0.28 -4.86 105.19 113.77 2nef n GLY 99 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.40 -0.34 0.99 1.98 0.45 -4.72 118.68 120.43 2nef s LEU 100 Ca 0.00 0.39 -0.29 0.00 -2.89 0.00 0.00 54.13 51.33 2nef s LEU 100 Cb 0.00 -3.03 -0.08 0.00 0.66 0.00 0.00 46.19 43.74 2nef s LEU 100 CO 0.00 -1.79 2.28 -0.38 -1.89 0.00 0.00 176.35 174.57 2nef n ILE 101 N 6.95 0.19 -1.92 6.68 2.08 -1.26 -3.26 119.36 128.82 2nef n ILE 101 Ca 0.14 -0.48 -0.43 0.00 0.56 0.00 0.00 62.75 62.54 2nef n ILE 101 Cb 0.49 -2.33 -0.03 0.00 -0.75 0.00 0.00 39.64 37.02 2nef n ILE 101 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2nef s HIS 102 N 9.09 1.68 0.00 1.39 5.65 1.04 -4.87 115.29 129.28 2nef s HIS 102 Ca 1.04 0.57 0.00 0.00 0.25 0.00 0.00 55.06 56.92 2nef s HIS 102 Cb -0.45 -4.08 0.00 0.00 -1.18 0.00 0.00 32.58 26.87 2nef s HIS 102 CO 0.37 -3.25 0.14 0.45 -0.65 0.00 0.00 174.74 171.80 2nef n SER 103 N 10.37 0.00 0.00 9.88 2.88 -1.26 -3.34 113.62 132.15 2nef n SER 103 Ca 0.24 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2nef n SER 103 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nef n GLN 104 N -0.46 0.00 0.09 -1.46 6.02 -1.26 -4.85 117.38 115.46 2nef n GLN 104 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 2nef n GLN 104 Cb 0.00 -0.01 0.16 0.00 1.02 0.00 0.00 30.24 31.41 2nef n GLN 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nef h ARG 105 N 0.00 0.00 -0.34 -1.09 3.08 -2.01 -3.32 114.38 110.69 2nef h ARG 105 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 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 0.00 0.34 0.00 -1.07 0.00 0.00 179.97 179.24 2nef h ARG 106 N 0.00 0.00 -0.47 0.04 2.47 -1.94 0.40 114.38 114.88 2nef h ARG 106 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2nef h ARG 106 Cb 0.82 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 2nef h ARG 106 CO 0.00 0.00 0.17 0.37 0.56 0.00 0.00 179.97 181.07 2nef h GLN 107 N 0.00 0.72 0.68 0.04 4.15 -1.96 -2.88 115.11 115.85 2nef h GLN 107 Ca 0.16 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2nef h GLN 107 Cb 0.84 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.42 2nef h GLN 107 CO -0.00 0.67 -0.33 -0.44 -1.93 0.00 0.00 178.83 176.80 2nef h ASP 108 N 0.62 -0.77 -0.71 -0.69 3.32 -1.17 -2.97 116.42 114.05 2nef h ASP 108 Ca 0.15 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.35 2nef h ASP 108 Cb 0.23 0.20 -0.13 0.00 0.22 0.00 0.00 39.33 39.85 2nef h ASP 108 CO -0.01 -0.52 -0.23 0.40 -1.72 0.00 0.00 179.24 177.16 2nef h ILE 109 N -0.96 0.22 0.00 0.35 2.04 -1.50 0.51 117.51 118.18 2nef h ILE 109 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2nef h ILE 109 Cb 0.71 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2nef h ILE 109 CO 0.15 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.19 2nef n LEU 110 N -5.48 0.00 -0.18 1.44 7.94 -1.09 -0.03 117.00 119.61 2nef n LEU 110 Ca 0.09 0.85 0.25 0.00 -1.11 0.00 0.00 56.01 56.08 2nef n LEU 110 Cb 0.37 -0.35 0.65 0.00 0.53 0.00 0.00 43.42 44.63 2nef n LEU 110 CO -0.01 -0.35 1.24 0.44 -1.11 0.00 0.00 177.39 177.61 2nef h ASP 111 N 0.00 0.13 0.60 1.96 3.32 -1.32 -2.05 116.42 119.06 2nef h ASP 111 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2nef h ASP 111 Cb 0.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2nef h ASP 111 CO 0.00 0.05 -0.29 0.25 -1.72 0.00 0.00 179.24 177.53 2nef h LEU 112 N 0.13 -0.68 -0.66 1.55 7.12 0.89 -1.62 115.31 122.03 2nef h LEU 112 Ca 0.42 -0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.56 2nef h LEU 112 Cb 1.45 0.18 -0.11 0.00 -0.53 0.00 0.00 40.66 41.65 2nef h LEU 112 CO -0.06 -0.30 0.03 -0.25 -0.13 0.00 0.00 178.44 177.73 2nef h TRP 113 N -1.14 0.01 -0.08 1.25 7.01 0.22 1.38 115.95 124.60 2nef h TRP 113 Ca -0.08 0.05 0.02 0.00 2.11 0.00 0.00 58.89 60.99 2nef h TRP 113 Cb 0.66 0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2nef h TRP 113 CO 0.00 -0.16 0.09 0.82 -2.79 0.00 0.00 178.44 176.40 2nef h ILE 114 N 0.14 0.51 0.57 2.65 2.04 -1.35 -2.91 117.51 119.16 2nef h ILE 114 Ca 0.35 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.19 2nef h ILE 114 Cb 0.59 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2nef h ILE 114 CO -0.55 0.00 -0.27 0.22 0.00 0.00 0.00 178.15 177.55 2nef h TYR 115 N 0.00 -0.71 0.00 1.37 3.20 0.29 -3.05 116.97 118.07 2nef h TYR 115 Ca 0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2nef h TYR 115 Cb 0.21 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2nef h TYR 115 CO 0.00 -0.41 0.00 0.72 -1.64 0.00 0.00 178.16 176.83 2nef n HIS 116 N -5.29 0.00 0.00 -3.82 8.25 -1.07 -4.41 115.22 108.88 2nef n HIS 116 Ca -0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2nef n HIS 116 Cb 0.32 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N 0.66 0.00 0.00 1.59 -2.24 -1.15 -3.71 114.28 109.43 2nef n THR 117 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nef n THR 117 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2nef n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nef n GLN 118 N 0.00 0.00 -0.69 -0.78 10.64 -1.26 -4.05 117.38 121.24 2nef n GLN 118 Ca 0.00 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.23 2nef n GLN 118 Cb 0.00 0.00 0.17 0.00 -0.86 0.00 0.00 30.24 29.55 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2nef n GLY 119 N 4.58 4.46 3.76 2.61 0.00 -1.26 -0.64 105.19 118.71 2nef n GLY 119 Ca 0.00 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.70 3.50 -0.32 1.61 2.02 -1.26 -3.64 117.35 116.57 2nef s TYR 120 Ca 0.36 1.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.76 2nef s TYR 120 Cb 0.36 -3.24 0.10 0.00 -0.40 0.00 0.00 41.96 38.78 2nef s TYR 120 CO -0.08 -0.56 0.08 0.12 -1.57 0.00 0.00 175.55 173.54 2nef s PHE 121 N -1.29 2.48 -0.99 2.71 2.19 -1.26 -4.72 117.98 117.09 2nef s PHE 121 Ca 0.48 -2.21 -0.20 0.00 0.33 0.00 0.00 56.93 55.33 2nef s PHE 121 Cb -0.29 -2.17 -0.28 0.00 -1.31 0.00 0.00 43.02 38.97 2nef s PHE 121 CO 0.37 -0.90 2.42 -2.30 1.83 0.00 0.00 175.22 176.64 2nef n PRO 122 N 4.62 0.02 -0.84 10.12 -0.02 -1.26 -4.48 135.00 143.15 2nef n PRO 122 Ca 0.00 -0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.45 2nef n PRO 122 Cb 0.42 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.59 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 8.11 -0.26 0.00 2.55 5.68 -1.26 -4.86 116.55 126.51 2nef n ASP 123 Ca 0.67 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 2nef n ASP 123 Cb 0.09 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.07 0.00 -2.44 2.11 4.27 -1.26 -4.99 117.44 115.20 2nef n TRP 124 Ca -0.10 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.08 2nef n TRP 124 Cb 0.70 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.62 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 -1.37 3.88 0.30 -2.67 0.00 -1.26 -4.55 119.66 113.99 2nef s GLN 125 Ca 0.00 1.16 -0.17 0.00 -0.00 0.00 0.00 55.36 56.35 2nef s GLN 125 Cb 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 33.01 29.15 2nef s GLN 125 CO 0.00 -1.17 0.66 -0.80 0.00 0.00 0.00 175.29 173.98 2nef s ASN 126 N 2.81 -0.07 0.24 12.60 0.01 -1.26 -5.07 114.94 124.20 2nef s ASN 126 Ca 0.55 -0.87 -0.22 0.00 -0.71 0.00 0.00 52.86 51.61 2nef s ASN 126 Cb -0.15 0.72 0.03 0.00 0.41 0.00 0.00 41.25 42.26 2nef s ASN 126 CO 0.24 -1.38 0.79 -0.31 -1.51 0.00 0.00 177.10 174.94 2nef s TYR 127 N -3.50 -0.17 0.52 2.20 1.51 -1.26 -2.70 117.35 113.95 2nef s TYR 127 Ca 0.16 -0.24 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 2nef s TYR 127 Cb -0.04 0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 42.44 2nef s TYR 127 CO 0.09 -1.11 1.29 0.95 -1.11 0.00 0.00 175.55 175.67 2nef s THR 128 N -3.72 2.41 -1.30 -0.71 -4.23 -1.14 -4.77 115.64 102.18 2nef s THR 128 Ca 0.11 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 2nef s THR 128 Cb -0.05 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 2nef s THR 128 CO 0.05 -0.01 2.40 -0.81 -0.54 0.00 0.00 174.62 175.72 2nef n PRO 129 N -0.90 2.77 -3.52 3.99 -0.04 -1.26 -4.82 135.00 131.22 2nef n PRO 129 Ca 0.10 -2.13 -0.09 0.00 -0.04 0.00 0.00 63.50 61.34 2nef n PRO 129 Cb 0.46 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 30.98 2nef n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2nef s GLY 130 N 3.19 -0.42 0.00 0.55 0.00 -1.26 -5.18 107.32 104.20 2nef s GLY 130 Ca 0.55 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.51 2nef s GLY 130 CO -0.04 0.49 0.00 -1.55 0.00 0.00 0.00 173.10 172.01 2nef n PRO 131 N -0.02 0.43 0.00 2.90 -0.04 -1.26 -4.74 135.00 132.26 2nef n PRO 131 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2nef n PRO 131 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 132 N 4.24 0.01 3.55 0.55 0.00 -1.26 -4.54 105.19 107.74 2nef n GLY 132 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2nef n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nef s ILE 133 N 0.00 3.40 -0.62 -0.61 -1.09 -1.26 -4.30 121.20 116.73 2nef s ILE 133 Ca 0.00 0.02 -0.27 0.00 -2.23 0.00 0.00 60.65 58.17 2nef s ILE 133 Cb 0.00 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 2nef s ILE 133 CO 0.00 -0.96 1.43 -0.13 -1.23 0.00 0.00 174.94 174.05 2nef s ARG 134 N 6.97 3.19 0.33 2.79 0.52 -0.83 -4.98 118.95 126.94 2nef s ARG 134 Ca 0.67 0.28 -0.17 0.00 -0.52 0.00 0.00 55.73 55.99 2nef s ARG 134 Cb -0.11 -4.17 -0.09 0.00 0.52 0.00 0.00 34.95 31.10 2nef s ARG 134 CO 0.14 -2.09 0.78 0.71 0.02 0.00 0.00 175.30 174.85 2nef s TYR 135 N 6.34 3.40 -0.14 -0.53 2.02 -1.26 -2.44 117.35 124.75 2nef s TYR 135 Ca 0.49 1.32 -0.29 0.00 -0.37 0.00 0.00 57.07 58.22 2nef s TYR 135 Cb -0.10 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.83 2nef s TYR 135 CO 0.22 0.09 1.24 -1.25 -1.57 0.00 0.00 175.55 174.28 2nef s PRO 136 N -2.87 4.27 0.10 -1.71 0.04 -1.26 -2.88 135.00 130.68 2nef s PRO 136 Ca 0.54 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 63.02 2nef s PRO 136 Cb -0.11 -3.70 -0.12 0.00 0.04 0.00 0.00 34.50 30.60 2nef s PRO 136 CO 0.17 -0.63 1.73 -0.07 0.04 0.00 0.00 177.00 178.24 2nef h LEU 137 N 9.29 0.09-10.20 -3.56 3.38 -1.81 -3.43 115.31 109.06 2nef h LEU 137 Ca -0.28 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.13 2nef h LEU 137 Cb 1.12 -0.02 0.14 0.00 0.09 0.00 0.00 40.66 41.99 2nef h LEU 137 CO 0.95 0.09 0.37 0.42 0.09 0.00 0.00 178.44 180.35 2nef s THR 138 N -6.08 2.59 0.15 0.22 -4.23 -1.26 -4.92 115.64 102.11 2nef s THR 138 Ca -0.13 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2nef s THR 138 Cb 0.07 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 2nef s THR 138 CO 0.67 -0.17 0.35 0.12 -0.54 0.00 0.00 174.62 175.05 2nef s PHE 139 N -2.20 3.49 0.00 3.99 5.36 -1.26 -4.38 117.98 122.98 2nef s PHE 139 Ca 0.71 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 2nef s PHE 139 Cb -0.25 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 2nef s PHE 139 CO 0.46 0.44 0.00 0.41 -1.46 0.00 0.00 175.22 175.07 2nef n GLY 140 N -0.22 2.82 3.56 13.12 0.00 -1.26 -4.89 105.19 118.31 2nef n GLY 140 Ca -0.04 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.84 1.97 -0.02 1.61 -0.00 -1.26 -3.96 118.94 116.44 2nef s TRP 141 Ca 0.00 0.30 -0.02 0.00 -0.00 0.00 0.00 56.10 56.38 2nef s TRP 141 Cb 0.00 -4.25 -0.09 0.00 -0.00 0.00 0.00 33.47 29.13 2nef s TRP 141 CO 0.00 -1.96 2.60 0.00 -0.00 0.00 0.00 176.95 177.58 2nef s TYR 143 N 0.28 3.23 -0.14 0.00 2.02 -1.26 -1.51 117.35 119.97 2nef s TYR 143 Ca 0.26 -2.21 0.01 0.00 -0.37 0.00 0.00 57.07 54.77 2nef s TYR 143 Cb 0.13 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2nef s TYR 143 CO -0.00 -0.86 -0.18 -1.59 -1.57 0.00 0.00 175.55 171.34 2nef s LYS 144 N 1.14 3.16 0.57 -0.62 -2.85 -1.16 -4.41 119.74 115.58 2nef s LYS 144 Ca -0.07 -0.79 -0.15 0.00 -1.00 0.00 0.00 55.97 53.96 2nef s LYS 144 Cb -0.19 -2.52 -0.05 0.00 -2.06 0.00 0.00 37.83 33.01 2nef s LYS 144 CO -0.05 0.07 1.03 -0.51 0.10 0.00 0.00 175.35 175.99 2nef s LEU 145 N 0.64 3.49 -0.26 2.77 1.43 -1.02 -1.43 118.68 124.29 2nef s LEU 145 Ca -0.09 1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 54.53 2nef s LEU 145 Cb -0.16 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.63 2nef s LEU 145 CO 0.02 -0.92 0.62 -0.69 0.23 0.00 0.00 176.35 175.61 2nef s VAL 146 N -2.66 -0.21 0.35 -1.59 1.01 -1.06 -1.97 120.40 114.28 2nef s VAL 146 Ca 0.60 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.35 2nef s VAL 146 Cb -0.13 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 2nef s VAL 146 CO 0.38 0.01 1.01 -2.16 0.00 0.00 0.00 175.10 174.35 2nef s PRO 147 N 1.86 4.40 -0.16 2.72 0.04 -1.26 -2.95 135.00 139.65 2nef s PRO 147 Ca -0.09 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.15 2nef s PRO 147 Cb -0.07 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 2nef s PRO 147 CO -0.18 0.08 0.98 0.08 0.04 0.00 0.00 177.00 178.00 2nef s VAL 148 N -1.57 4.77 0.62 -0.36 1.01 -1.25 -5.01 120.40 118.60 2nef s VAL 148 Ca 0.53 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 64.29 2nef s VAL 148 Cb -0.22 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 2nef s VAL 148 CO 0.28 -0.06 1.11 -1.61 0.00 0.00 0.00 175.10 174.82 2nef s GLU 149 N 2.48 3.02 0.52 2.72 2.02 -1.26 -4.94 118.70 123.26 2nef s GLU 149 Ca 0.45 1.44 -0.17 0.00 0.02 0.00 0.00 54.97 56.70 2nef s GLU 149 Cb -0.17 -1.98 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 2nef s GLU 149 CO 0.12 -1.08 -0.18 -2.30 0.02 0.00 0.00 175.26 171.84 2nef n PRO 150 N -2.04 0.00 0.00 0.39 -0.02 -1.26 -4.94 135.00 127.12 2nef n PRO 150 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2nef n PRO 150 Cb 0.52 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 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 1.50 0.00 0.00 -0.52 1.02 -1.26 -4.89 120.64 116.49 2nef n GLU 151 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2nef n GLU 151 Cb 0.45 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 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 0.00 0.00 0.00 3.49 5.02 -1.26 -5.05 118.16 120.36 2nef n LYS 152 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nef n LYS 152 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2nef n LYS 152 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2nef n LEU 153 N 0.00 0.00 -3.47 -0.35 7.94 -1.26 -5.12 117.00 114.73 2nef n LEU 153 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 2nef n LEU 153 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2nef n LEU 153 CO 0.00 0.00 0.54 -1.83 -1.11 0.00 0.00 177.39 174.99 2nef s GLU 154 N 0.35 1.08 -0.18 1.96 4.04 -1.26 -4.90 118.70 119.79 2nef s GLU 154 Ca 0.00 -0.41 -0.28 0.00 0.04 0.00 0.00 54.97 54.32 2nef s GLU 154 Cb 0.00 0.49 0.11 0.00 0.02 0.00 0.00 34.13 34.75 2nef s GLU 154 CO 0.00 -0.48 0.92 -2.00 -1.84 0.00 0.00 175.26 171.87 2nef s GLU 155 N -3.46 0.68 0.09 -4.83 2.56 -1.26 -5.05 118.70 107.42 2nef s GLU 155 Ca 0.03 0.37 -0.28 0.00 0.00 0.00 0.00 54.97 55.09 2nef s GLU 155 Cb -0.01 0.32 -0.15 0.00 2.00 0.00 0.00 34.13 36.29 2nef s GLU 155 CO -0.11 -0.17 1.68 0.00 -0.56 0.00 0.00 175.26 176.10 2nef h ALA 156 N 3.31 -0.43 -1.32 6.30 0.00 -2.08 -3.36 119.26 121.68 2nef h ALA 156 Ca -0.24 -0.08 -0.46 0.00 0.00 0.00 0.00 54.91 54.13 2nef h ALA 156 Cb 1.16 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2nef h ALA 156 CO 0.25 -0.75 1.22 0.54 0.00 0.00 0.00 179.25 180.50 2nef s ASN 157 N -4.81 5.33 -0.30 0.00 2.20 -1.26 -4.83 114.94 111.28 2nef s ASN 157 Ca -0.15 0.04 -0.06 0.00 -0.94 0.00 0.00 52.86 51.75 2nef s ASN 157 Cb 0.05 -2.54 0.19 0.00 -2.00 0.00 0.00 41.25 36.95 2nef s ASN 157 CO 0.64 -2.39 0.87 -0.75 -2.94 0.00 0.00 177.10 172.53 2nef s LYS 158 N 6.90 0.32 -0.25 3.55 2.47 -1.26 -5.13 119.74 126.34 2nef s LYS 158 Ca 0.65 0.44 -0.18 0.00 -1.56 0.00 0.00 55.97 55.32 2nef s LYS 158 Cb -0.11 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 2nef s LYS 158 CO 0.15 -0.49 0.50 0.16 0.16 0.00 0.00 175.35 175.84 2nef s ASP 174 N 2.91 6.44 -0.46 1.43 -4.77 -1.26 -4.97 116.67 115.99 2nef s ASP 174 Ca 0.14 0.53 0.07 0.00 -3.30 0.00 0.00 52.55 49.98 2nef s ASP 174 Cb -0.08 -2.28 0.24 0.00 -1.09 0.00 0.00 42.92 39.71 2nef s ASP 174 CO -0.20 -0.26 0.75 0.47 0.70 0.00 0.00 175.17 176.64 2nef n ASP 175 N 5.38 -1.99 0.06 2.11 8.00 -1.26 -4.99 116.55 123.86 2nef n ASP 175 Ca -0.05 -3.07 0.20 0.00 0.71 0.00 0.00 54.79 52.59 2nef n ASP 175 Cb 0.50 1.04 0.61 0.00 -0.02 0.00 0.00 41.12 43.25 2nef n ASP 175 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2nef h PRO 176 N 4.14 0.00 -4.74 -0.24 0.11 -2.09 -3.26 132.00 125.93 2nef h PRO 176 Ca -0.06 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.35 2nef h PRO 176 Cb 0.99 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.03 2nef h PRO 176 CO 0.34 0.00 2.63 -0.85 -0.21 0.00 0.00 178.00 179.91 2nef n GLU 177 N -3.35 3.06 -2.67 1.05 0.00 -1.26 -4.96 120.64 112.51 2nef n GLU 177 Ca 0.10 -2.98 -0.40 0.00 0.00 0.00 0.00 57.16 53.88 2nef n GLU 177 Cb 0.88 -3.34 -0.05 0.00 0.00 0.00 0.00 31.44 28.93 2nef n GLU 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2nef s ARG 178 N 3.37 4.77 0.11 3.44 0.52 -1.23 -5.01 118.95 124.91 2nef s ARG 178 Ca 0.49 1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 2nef s ARG 178 Cb 0.09 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.23 2nef s ARG 178 CO -0.01 0.37 1.07 -1.21 0.02 0.00 0.00 175.30 175.54 2nef s GLU 179 N -1.01 4.57 0.00 3.54 0.41 -1.26 -5.04 118.70 119.92 2nef s GLU 179 Ca 0.43 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.62 2nef s GLU 179 Cb -0.27 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 28.73 2nef s GLU 179 CO 0.34 0.01 0.00 0.28 -0.49 0.00 0.00 175.26 175.40 2nef n VAL 180 N 3.07 0.00 -4.61 2.63 0.31 -1.26 -4.73 118.33 113.73 2nef n VAL 180 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 2nef n VAL 180 Cb 0.48 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.29 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.00 2.79 0.05 7.52 1.43 -1.21 -3.97 118.68 125.29 2nef s LEU 181 Ca 0.00 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2nef s LEU 181 Cb 0.00 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2nef s LEU 181 CO 0.00 0.27 -0.26 -1.83 0.23 0.00 0.00 176.35 174.76 2nef s GLU 182 N -1.40 1.78 -0.31 1.70 -1.05 -1.15 0.34 118.70 118.61 2nef s GLU 182 Ca 0.15 -1.12 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 2nef s GLU 182 Cb -0.11 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 2nef s GLU 182 CO 0.06 0.51 1.35 -1.58 0.95 0.00 0.00 175.26 176.55 2nef s TRP 183 N -0.83 2.57 -0.58 4.83 0.51 -1.20 -2.58 118.94 121.66 2nef s TRP 183 Ca 0.12 0.80 -0.16 0.00 -2.12 0.00 0.00 56.10 54.74 2nef s TRP 183 Cb -0.10 -3.99 0.14 0.00 -0.81 0.00 0.00 33.47 28.70 2nef s TRP 183 CO 0.02 -1.89 0.57 1.03 -0.51 0.00 0.00 176.95 176.17 2nef s ARG 184 N 4.37 3.07 0.22 4.98 1.81 -0.52 0.10 118.95 132.99 2nef s ARG 184 Ca 0.59 -1.73 -0.30 0.00 -1.72 0.00 0.00 55.73 52.57 2nef s ARG 184 Cb -0.17 -4.32 -0.09 0.00 -0.45 0.00 0.00 34.95 29.92 2nef s ARG 184 CO 0.26 -1.36 1.38 0.12 -0.68 0.00 0.00 175.30 175.01 2nef s PHE 185 N 1.63 3.13 -0.47 -0.53 2.19 -1.26 -2.99 117.98 119.68 2nef s PHE 185 Ca 0.06 1.11 0.06 0.00 0.33 0.00 0.00 56.93 58.50 2nef s PHE 185 Cb -0.27 -3.72 0.23 0.00 -1.31 0.00 0.00 43.02 37.95 2nef s PHE 185 CO 0.02 -2.31 0.77 -3.47 1.83 0.00 0.00 175.22 172.06 2nef n ASP 186 N 2.50 -2.33 0.00 6.13 -0.08 -0.57 -4.97 116.55 117.24 2nef n ASP 186 Ca 0.07 -3.08 0.00 0.00 -1.51 0.00 0.00 54.79 50.26 2nef n ASP 186 Cb 0.41 1.25 0.00 0.00 2.34 0.00 0.00 41.12 45.13 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2nef n SER 187 N 1.89 0.00 -0.30 1.67 3.41 -1.26 -1.28 113.62 117.75 2nef n SER 187 Ca 0.14 0.15 -0.04 0.00 -0.26 0.00 0.00 58.87 58.86 2nef n SER 187 Cb 0.59 -0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.47 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nef h ARG 188 N 0.00 1.09 0.00 4.33 2.43 -1.93 0.62 114.38 120.92 2nef h ARG 188 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2nef h ARG 188 Cb 0.71 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2nef h ARG 188 CO 0.00 0.73 0.00 1.28 -1.51 0.00 0.00 179.97 180.47 2nef n LEU 189 N -4.50 0.00 0.00 3.80 4.77 -0.40 -1.83 117.00 118.83 2nef n LEU 189 Ca 0.09 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2nef n LEU 189 Cb 0.02 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.69 2nef n LEU 189 CO 0.36 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 177.22 2nef n ALA 190 N -0.93 2.36 0.03 -1.18 0.00 0.21 -4.27 120.51 116.73 2nef n ALA 190 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2nef n ALA 190 Cb 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2nef n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nef n PHE 191 N -0.91 -0.41 -2.34 0.00 3.72 -0.76 -4.91 117.46 111.84 2nef n PHE 191 Ca 0.15 0.07 -0.43 0.00 -0.05 0.00 0.00 57.45 57.19 2nef n PHE 191 Cb 0.07 0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 2nef n PHE 191 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2nef s HIS 192 N -1.21 2.59 -0.66 1.38 3.76 -1.24 -4.95 115.29 114.95 2nef s HIS 192 Ca 0.00 0.81 -0.22 0.00 -0.15 0.00 0.00 55.06 55.50 2nef s HIS 192 Cb 0.00 -3.78 0.07 0.00 1.11 0.00 0.00 32.58 29.98 2nef s HIS 192 CO 0.00 -2.08 0.95 -1.58 -0.85 0.00 0.00 174.74 171.18 2nef s HIS 193 N 4.20 2.69 -0.04 1.40 2.46 -1.26 -4.58 115.29 120.15 2nef s HIS 193 Ca 0.60 -0.57 -0.24 0.00 0.47 0.00 0.00 55.06 55.32 2nef s HIS 193 Cb -0.21 -4.28 -0.24 0.00 -0.13 0.00 0.00 32.58 27.72 2nef s HIS 193 CO 0.22 -1.63 1.03 0.52 -2.47 0.00 0.00 174.74 172.41 2nef h MET 194 N 9.55 0.21 -1.04 2.88 2.86 -1.92 -3.01 114.93 124.45 2nef h MET 194 Ca -0.29 -0.22 0.27 0.00 -2.06 0.00 0.00 59.70 57.40 2nef h MET 194 Cb 1.07 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.71 2nef h MET 194 CO 1.18 0.95 0.69 0.00 1.06 0.00 0.00 176.91 180.79 2nef h ALA 195 N 0.26 2.39 -0.06 6.32 0.00 -1.90 0.14 119.26 126.41 2nef h ALA 195 Ca -0.04 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2nef h ALA 195 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2nef h ALA 195 CO 0.06 -0.77 -0.31 -0.09 0.00 0.00 0.00 179.25 178.14 2nef h ARG 196 N 0.32 0.32 0.00 0.00 2.43 -1.90 -3.03 114.38 112.52 2nef h ARG 196 Ca 0.57 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2nef h ARG 196 Cb 1.59 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.20 2nef h ARG 196 CO -0.23 0.91 -0.00 0.93 -1.51 0.00 0.00 179.97 180.07 2nef h GLU 197 N -0.18 0.00 0.00 0.20 4.39 -0.90 -3.22 114.58 114.87 2nef h GLU 197 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2nef h GLU 197 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2nef h GLU 197 CO 0.06 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.20 2nef n LEU 198 N -3.10 0.98 -3.33 1.33 4.77 0.29 -4.86 117.00 113.08 2nef n LEU 198 Ca 0.00 0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 56.17 2nef n LEU 198 Cb 0.27 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 2nef n LEU 198 CO 0.26 -0.30 -0.19 -1.00 -1.33 0.00 0.00 177.39 174.83 2nef s HIS 199 N -0.88 0.05 -0.76 -1.77 3.76 -1.15 -4.97 115.29 109.57 2nef s HIS 199 Ca 0.00 -1.26 0.25 0.00 -0.15 0.00 0.00 55.06 53.91 2nef s HIS 199 Cb 0.00 -0.53 0.61 0.00 1.11 0.00 0.00 32.58 33.77 2nef s HIS 199 CO 0.00 -0.94 1.55 -0.35 -0.85 0.00 0.00 174.74 174.14 2nef n PRO 200 N 3.79 0.21 0.13 8.40 -0.04 -1.21 -3.87 135.00 142.41 2nef n PRO 200 Ca 0.16 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2nef n PRO 200 Cb 0.45 -1.68 0.31 0.00 -0.04 0.00 0.00 33.50 32.54 2nef n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 201 N -2.01 0.08 0.00 0.54 1.02 -1.26 -0.30 120.64 118.70 2nef n GLU 201 Ca 0.05 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2nef n GLU 201 Cb 0.41 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2nef n TYR 202 N -1.93 0.00 0.00 -0.32 4.01 -1.25 -3.96 117.16 113.70 2nef n TYR 202 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2nef n TYR 202 Cb 0.27 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2nef n TYR 202 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2nef n PHE 203 N -0.43 -0.30 -2.01 -0.72 3.01 0.59 -5.05 117.46 112.54 2nef n PHE 203 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2nef n PHE 203 Cb 0.03 0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 2nef n PHE 203 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2nef s LYS 204 N -1.28 3.75 0.83 -1.08 -0.14 -1.01 -4.97 119.74 115.84 2nef s LYS 204 Ca 0.00 1.80 -0.11 0.00 -1.36 0.00 0.00 55.97 56.30 2nef s LYS 204 Cb 0.00 -4.09 0.09 0.00 -1.68 0.00 0.00 37.83 32.15 2nef s LYS 204 CO 0.00 -1.35 1.10 0.54 -0.76 0.00 0.00 175.35 174.87 2nef s ASN 205 N 4.71 3.99 0.00 2.83 2.20 -1.26 -4.81 114.94 122.60 2nef s ASN 205 Ca 0.76 1.78 0.00 0.00 -0.94 0.00 0.00 52.86 54.46 2nef s ASN 205 Cb -0.28 -2.43 0.00 0.00 -2.00 0.00 0.00 41.25 36.54 2nef s ASN 205 CO 0.31 -2.35 0.00 0.00 -2.94 0.00 0.00 177.10 172.12