#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 -2.00 -3.34 115.95 115.69 2nef h TRP 57 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2nef h TRP 57 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2nef h TRP 57 CO 0.00 0.41 0.00 -0.11 -1.28 0.00 0.00 178.44 177.46 2nef n LEU 58 N -3.59 1.42 -4.56 0.11 7.94 -1.26 -4.50 117.00 112.55 2nef n LEU 58 Ca -0.00 0.24 -0.36 0.00 -1.11 0.00 0.00 56.01 54.78 2nef n LEU 58 Cb 0.52 -0.25 -0.04 0.00 0.53 0.00 0.00 43.42 44.18 2nef n LEU 58 CO 0.38 -0.25 1.47 -1.61 -1.11 0.00 0.00 177.39 176.26 2nef s GLU 59 N -0.51 3.21 0.79 1.96 2.02 -1.26 -4.96 118.70 119.95 2nef s GLU 59 Ca 0.00 -0.89 -0.10 0.00 0.02 0.00 0.00 54.97 53.99 2nef s GLU 59 Cb 0.00 -5.26 0.07 0.00 0.10 0.00 0.00 34.13 29.03 2nef s GLU 59 CO 0.00 -2.69 1.10 0.00 0.02 0.00 0.00 175.26 173.68 2nef s ALA 60 N 6.96 2.17 -0.07 5.21 0.00 -1.25 -4.79 121.76 129.98 2nef s ALA 60 Ca 0.56 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.87 2nef s ALA 60 Cb -0.02 -3.29 0.28 0.00 0.00 0.00 0.00 23.12 20.09 2nef s ALA 60 CO -0.05 -1.87 0.94 1.04 0.00 0.00 0.00 175.76 175.82 2nef n GLN 61 N -3.60 0.04 0.00 0.00 1.13 -1.26 -4.41 117.38 109.28 2nef n GLN 61 Ca 0.09 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2nef n GLN 61 Cb 0.53 -2.02 0.00 0.00 0.11 0.00 0.00 30.24 28.86 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2nef n GLU 62 N -1.65 0.04 0.00 -1.09 -0.58 -1.26 -5.10 120.64 111.00 2nef n GLU 62 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2nef n GLU 62 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2nef n GLU 62 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2nef n GLU 63 N 0.00 0.00 0.42 3.49 0.28 -1.26 -4.97 120.64 118.60 2nef n GLU 63 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 2nef n GLU 63 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 2nef n GLU 63 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2nef h GLU 64 N 0.00 -1.05 0.00 3.44 5.08 -1.99 -3.48 114.58 116.58 2nef h GLU 64 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2nef h GLU 64 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2nef h GLU 64 CO 0.00 -0.70 0.00 -0.85 -1.00 0.00 0.00 179.01 176.46 2nef n GLU 65 N -5.57 0.00 -2.58 2.33 0.28 -1.26 -5.06 120.64 108.78 2nef n GLU 65 Ca -0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.44 2nef n GLU 65 Cb 0.45 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.30 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2nef s VAL 66 N -2.96 4.01 -2.00 3.84 1.01 -1.26 -4.69 120.40 118.35 2nef s VAL 66 Ca 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2nef s VAL 66 Cb 0.00 -5.09 0.06 0.00 0.00 0.00 0.00 36.38 31.35 2nef s VAL 66 CO 0.00 -1.95 0.41 0.61 0.00 0.00 0.00 175.10 174.17 2nef n GLY 67 N 6.41 -0.14 2.56 4.51 0.00 -1.26 -3.45 105.19 113.82 2nef n GLY 67 Ca 0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 2nef n GLY 67 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nef n PHE 68 N -0.73 -2.37 -2.89 1.61 3.72 -1.26 -5.12 117.46 110.42 2nef n PHE 68 Ca 0.02 -2.34 -0.42 0.00 -0.05 0.00 0.00 57.45 54.66 2nef n PHE 68 Cb 0.01 0.86 -0.04 0.00 -0.94 0.00 0.00 39.48 39.37 2nef n PHE 68 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2nef s PRO 69 N 0.31 4.21 0.82 -1.08 0.04 -1.22 -5.06 135.00 133.01 2nef s PRO 69 Ca 0.32 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 2nef s PRO 69 Cb 0.07 -3.63 0.11 0.00 0.04 0.00 0.00 34.50 31.09 2nef s PRO 69 CO -0.14 -0.47 1.16 0.14 0.04 0.00 0.00 177.00 177.73 2nef s VAL 70 N 2.66 2.08 -0.31 -0.36 -7.23 -1.26 -5.01 120.40 110.98 2nef s VAL 70 Ca 0.36 -0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 60.17 2nef s VAL 70 Cb -0.16 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2nef s VAL 70 CO 0.08 0.00 0.83 0.42 -0.31 0.00 0.00 175.10 176.12 2nef s THR 71 N -3.54 4.75 -0.82 5.32 -4.23 -1.26 -4.99 115.64 110.87 2nef s THR 71 Ca 0.65 1.26 -0.25 0.00 -1.18 0.00 0.00 61.69 62.17 2nef s THR 71 Cb -0.09 -4.19 0.05 0.00 1.34 0.00 0.00 72.50 69.61 2nef s THR 71 CO 0.49 -0.29 1.28 -2.16 -0.54 0.00 0.00 174.62 173.40 2nef s PRO 72 N 3.06 3.31 -0.37 3.99 0.04 -1.26 -4.94 135.00 138.83 2nef s PRO 72 Ca 0.34 -0.65 0.01 0.00 0.04 0.00 0.00 61.00 60.74 2nef s PRO 72 Cb -0.14 -4.56 0.12 0.00 0.04 0.00 0.00 34.50 29.96 2nef s PRO 72 CO 0.13 -2.10 0.16 -0.65 0.04 0.00 0.00 177.00 174.58 2nef s GLN 73 N 5.13 1.04 0.08 4.56 -0.21 -1.26 -4.95 119.66 124.05 2nef s GLN 73 Ca 0.36 -1.57 0.03 0.00 0.02 0.00 0.00 55.36 54.20 2nef s GLN 73 Cb -0.07 -2.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 2nef s GLN 73 CO 0.06 -1.07 -0.09 0.14 -2.12 0.00 0.00 175.29 172.21 2nef s VAL 74 N 0.97 0.83 0.05 1.09 -7.23 -1.26 -5.11 120.40 109.74 2nef s VAL 74 Ca 0.14 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 2nef s VAL 74 Cb -0.21 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 2nef s VAL 74 CO -0.11 -0.54 1.89 -2.16 -0.31 0.00 0.00 175.10 173.86 2nef s PRO 75 N -2.60 4.15 -0.57 4.82 0.04 -1.26 -4.85 135.00 134.72 2nef s PRO 75 Ca 0.02 2.55 -0.26 0.00 0.04 0.00 0.00 61.00 63.36 2nef s PRO 75 Cb -0.04 -3.99 -0.08 0.00 0.04 0.00 0.00 34.50 30.44 2nef s PRO 75 CO -0.00 -0.91 2.34 -0.51 0.04 0.00 0.00 177.00 177.96 2nef s LEU 76 N 3.93 3.29 0.49 -3.56 1.43 -1.26 -4.74 118.68 118.26 2nef s LEU 76 Ca 0.84 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2nef s LEU 76 Cb -0.42 -2.51 -0.07 0.00 0.03 0.00 0.00 46.19 43.22 2nef s LEU 76 CO 0.39 -3.01 0.91 -0.13 0.23 0.00 0.00 176.35 174.73 2nef s ARG 77 N 8.22 3.84 -0.03 1.70 0.52 -1.26 -5.01 118.95 126.93 2nef s ARG 77 Ca 0.93 0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 56.57 2nef s ARG 77 Cb -0.15 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 2nef s ARG 77 CO 0.21 -0.22 1.28 -1.25 0.02 0.00 0.00 175.30 175.34 2nef s PRO 78 N -4.15 4.32 -0.38 3.54 0.04 -1.26 -4.72 135.00 132.40 2nef s PRO 78 Ca 0.55 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 63.11 2nef s PRO 78 Cb -0.10 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 2nef s PRO 78 CO 0.34 -0.50 2.06 1.41 0.04 0.00 0.00 177.00 180.36 2nef s MET 79 N 2.26 2.89 -0.08 4.56 -2.45 -1.26 -4.94 119.30 120.29 2nef s MET 79 Ca 0.59 1.47 -0.22 0.00 -1.25 0.00 0.00 55.69 56.28 2nef s MET 79 Cb -0.28 -4.36 -0.04 0.00 1.25 0.00 0.00 34.83 31.40 2nef s MET 79 CO 0.24 -2.38 0.63 0.95 1.05 0.00 0.00 175.02 175.51 2nef s THR 80 N 8.81 5.08 0.29 10.11 -4.23 -1.26 -4.92 115.64 129.52 2nef s THR 80 Ca 0.88 1.29 0.04 0.00 -1.18 0.00 0.00 61.69 62.72 2nef s THR 80 Cb -0.23 -3.97 0.29 0.00 1.34 0.00 0.00 72.50 69.93 2nef s THR 80 CO 0.30 0.28 1.75 0.10 -0.54 0.00 0.00 174.62 176.52 2nef h TYR 81 N 6.68 0.92 -0.36 3.99 -0.00 -2.01 2.34 116.97 128.52 2nef h TYR 81 Ca -0.41 0.04 -0.00 0.00 0.00 0.00 0.00 58.73 58.35 2nef h TYR 81 Cb 1.19 -0.26 -0.02 0.00 0.00 0.00 0.00 36.73 37.64 2nef h TYR 81 CO 0.64 0.15 0.22 -0.22 -0.00 0.00 0.00 178.16 178.95 2nef h LYS 82 N 0.64 0.49 -0.10 0.10 1.63 -1.98 -1.08 116.57 116.27 2nef h LYS 82 Ca 0.56 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 60.24 2nef h LYS 82 Cb 0.91 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2nef h LYS 82 CO -0.42 0.34 -0.30 0.00 -3.45 0.00 0.00 179.45 175.63 2nef h ALA 83 N 1.75 1.31 -0.61 5.00 0.00 0.36 -2.34 119.26 124.72 2nef h ALA 83 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2nef h ALA 83 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2nef h ALA 83 CO -0.03 0.48 0.34 0.00 0.00 0.00 0.00 179.25 180.05 2nef h ALA 84 N 1.52 0.78 -0.09 0.00 0.00 -0.35 0.81 119.26 121.93 2nef h ALA 84 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2nef h ALA 84 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nef h ALA 84 CO 0.05 0.28 0.03 0.28 0.00 0.00 0.00 179.25 179.89 2nef h VAL 85 N 0.82 1.18 -0.47 0.00 2.07 -1.38 1.03 116.25 119.50 2nef h VAL 85 Ca 0.22 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2nef h VAL 85 Cb 0.02 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2nef h VAL 85 CO -0.04 0.15 0.29 0.44 0.02 0.00 0.00 177.57 178.44 2nef h ASP 86 N -0.05 0.56 -0.79 0.57 5.19 -1.10 -1.87 116.42 118.93 2nef h ASP 86 Ca 0.03 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 2nef h ASP 86 Cb 0.22 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 2nef h ASP 86 CO -0.00 0.44 0.33 0.25 -3.12 0.00 0.00 179.24 177.15 2nef h LEU 87 N 0.63 1.08 -0.21 1.55 5.85 0.96 -0.35 115.31 124.83 2nef h LEU 87 Ca 0.17 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2nef h LEU 87 Cb -0.02 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 2nef h LEU 87 CO -0.03 0.95 -0.41 0.77 -0.34 0.00 0.00 178.44 179.38 2nef h SER 88 N 1.14 -1.30 0.76 1.25 4.64 0.19 0.25 113.55 120.48 2nef h SER 88 Ca 0.27 0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 2nef h SER 88 Cb 0.19 0.55 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2nef h SER 88 CO -0.02 -0.40 -0.36 0.45 -0.87 0.00 0.00 176.83 175.62 2nef h HIS 89 N -0.43 0.00 0.77 4.77 3.86 -1.34 -2.86 115.15 119.92 2nef h HIS 89 Ca 0.10 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2nef h HIS 89 Cb 0.60 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2nef h HIS 89 CO -0.52 0.36 -0.46 0.35 0.86 0.00 0.00 177.93 178.53 2nef h PHE 90 N 0.00 -1.22 0.00 2.45 3.04 0.80 -1.58 116.94 120.43 2nef h PHE 90 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2nef h PHE 90 Cb 0.84 0.43 -0.00 0.00 2.56 0.00 0.00 35.95 39.78 2nef h PHE 90 CO 0.00 -0.69 -0.01 -0.07 -2.02 0.00 0.00 178.31 175.51 2nef h LEU 91 N -1.15 0.00 0.74 0.59 3.38 -1.23 -1.78 115.31 115.85 2nef h LEU 91 Ca -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2nef h LEU 91 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.67 2nef h LEU 91 CO 0.11 0.01 -0.35 0.50 0.09 0.00 0.00 178.44 178.80 2nef h LYS 92 N 0.00 -0.95 -0.12 1.13 3.64 -1.05 -3.04 116.57 116.18 2nef h LYS 92 Ca -0.00 0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2nef h LYS 92 Cb 0.05 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2nef h LYS 92 CO 0.00 -0.61 -0.52 1.05 -2.27 0.00 0.00 179.45 177.10 2nef h GLU 93 N -1.11 0.33 -1.33 1.90 4.11 -1.32 -2.93 114.58 114.23 2nef h GLU 93 Ca -0.10 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2nef h GLU 93 Cb 0.78 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2nef h GLU 93 CO 0.17 0.77 0.00 1.63 0.07 0.00 0.00 179.01 181.65 2nef n LYS 94 N -3.95 0.88 0.00 1.06 4.76 -0.69 -4.82 118.16 115.41 2nef n LYS 94 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2nef n LYS 94 Cb 0.57 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 2nef n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nef n GLY 95 N 0.80 3.93 3.35 0.72 0.00 -1.10 -4.92 105.19 107.96 2nef n GLY 95 Ca 0.00 -1.57 -0.46 0.00 0.00 0.00 0.00 46.02 43.98 2nef n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nef s GLY 96 N 0.00 2.58 0.35 -0.02 0.00 -1.25 -4.00 107.32 104.97 2nef s GLY 96 Ca 0.00 -3.26 0.19 0.00 0.00 0.00 0.00 44.72 41.64 2nef s GLY 96 CO 0.00 1.37 1.52 -2.00 0.00 0.00 0.00 173.10 173.99 2nef h LEU 97 N 8.12 0.00 -9.78 0.66 5.85 -1.85 -3.43 115.31 114.88 2nef h LEU 97 Ca 0.12 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.28 2nef h LEU 97 Cb 1.03 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.25 2nef h LEU 97 CO 0.81 0.28 -0.20 1.21 -0.34 0.00 0.00 178.44 180.20 2nef n GLU 98 N -3.17 0.36 -0.37 1.25 0.00 -1.26 -1.28 120.64 116.17 2nef n GLU 98 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2nef n GLU 98 Cb 0.64 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 30.10 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 1.41 0.00 3.67 8.31 0.00 0.41 -4.84 105.19 114.16 2nef n GLY 99 Ca 0.11 0.00 -0.43 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 4.23 -0.36 0.99 2.96 -0.40 -4.64 118.68 121.44 2nef s LEU 100 Ca 0.00 1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 55.38 2nef s LEU 100 Cb 0.00 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -0.68 2.13 -0.63 -1.32 0.00 0.00 176.35 175.85 2nef s ILE 101 N 2.89 3.16 -0.30 6.68 -1.09 -1.26 -2.36 121.20 128.92 2nef s ILE 101 Ca 0.55 0.14 -0.28 0.00 -2.23 0.00 0.00 60.65 58.83 2nef s ILE 101 Cb -0.23 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 2nef s ILE 101 CO 0.18 -0.21 1.93 -2.28 -1.23 0.00 0.00 174.94 173.33 2nef s HIS 102 N 9.12 1.61 0.00 3.97 5.65 1.02 -4.85 115.29 131.81 2nef s HIS 102 Ca 0.91 0.61 0.00 0.00 0.25 0.00 0.00 55.06 56.83 2nef s HIS 102 Cb -0.24 -4.06 0.00 0.00 -1.18 0.00 0.00 32.58 27.10 2nef s HIS 102 CO 0.31 -3.27 0.19 0.43 -0.65 0.00 0.00 174.74 171.74 2nef n SER 103 N 10.81 0.00 0.00 9.88 7.64 -1.26 -3.36 113.62 137.33 2nef n SER 103 Ca 0.25 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2nef n SER 103 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2nef n GLN 104 N -0.40 0.00 0.04 1.43 7.27 -1.26 -4.85 117.38 119.62 2nef n GLN 104 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 2nef n GLN 104 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 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 -0.45 3.69 2.47 -2.01 -3.31 114.38 114.76 2nef h ARG 105 Ca 0.00 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 2nef h ARG 105 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2nef h ARG 105 CO 0.00 0.44 0.33 0.00 0.56 0.00 0.00 179.97 181.30 2nef h ARG 106 N 0.00 0.00 -0.16 0.04 3.08 -1.96 -1.21 114.38 114.17 2nef h ARG 106 Ca -0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2nef h ARG 106 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2nef h ARG 106 CO 0.07 0.00 0.06 0.37 -1.07 0.00 0.00 179.97 179.40 2nef h GLN 107 N 0.00 0.24 0.42 0.04 4.15 -1.96 -2.44 115.11 115.56 2nef h GLN 107 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 2nef h GLN 107 Cb 0.88 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 2nef h GLN 107 CO -0.00 0.33 -0.27 -0.44 -1.93 0.00 0.00 178.83 176.52 2nef h ASP 108 N 0.10 -0.68 -0.85 -0.69 5.19 -1.43 -2.44 116.42 115.62 2nef h ASP 108 Ca 0.05 0.04 0.21 0.00 -0.62 0.00 0.00 57.03 56.72 2nef h ASP 108 Cb 0.19 0.20 -0.13 0.00 0.18 0.00 0.00 39.33 39.77 2nef h ASP 108 CO -0.00 -0.42 0.26 0.40 -3.12 0.00 0.00 179.24 176.35 2nef h ILE 109 N -0.66 0.40 0.00 0.35 2.04 -1.46 -0.69 117.51 117.49 2nef h ILE 109 Ca -0.04 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2nef h ILE 109 Cb 0.55 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2nef h ILE 109 CO 0.04 0.05 -0.04 0.25 0.00 0.00 0.00 178.15 178.45 2nef h LEU 110 N 0.27 -0.12 -1.18 1.44 5.85 -0.94 0.56 115.31 121.19 2nef h LEU 110 Ca 0.52 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.47 2nef h LEU 110 Cb 1.00 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.98 2nef h LEU 110 CO -0.59 -0.04 0.62 0.44 -0.34 0.00 0.00 178.44 178.53 2nef h ASP 111 N -0.05 0.63 0.24 1.25 3.32 -1.30 -1.49 116.42 119.03 2nef h ASP 111 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2nef h ASP 111 Cb 0.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2nef h ASP 111 CO -0.03 0.20 -0.12 0.25 -1.72 0.00 0.00 179.24 177.83 2nef h LEU 112 N 0.60 -0.28 -0.81 1.55 5.85 -0.05 -2.62 115.31 119.55 2nef h LEU 112 Ca 0.57 -0.14 0.18 0.00 0.84 0.00 0.00 57.88 59.32 2nef h LEU 112 Cb 1.11 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 2nef h LEU 112 CO -0.33 -0.01 0.31 -0.25 -0.34 0.00 0.00 178.44 177.81 2nef h TRP 113 N -0.55 0.51 -0.06 1.25 7.01 0.11 0.93 115.95 125.15 2nef h TRP 113 Ca -0.03 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2nef h TRP 113 Cb 0.41 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2nef h TRP 113 CO -0.00 -0.01 0.05 0.82 -2.79 0.00 0.00 178.44 176.51 2nef h ILE 114 N 0.39 0.79 0.53 2.65 2.04 -1.19 -2.73 117.51 120.00 2nef h ILE 114 Ca 0.47 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.31 2nef h ILE 114 Cb 0.81 0.96 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2nef h ILE 114 CO -0.48 0.00 -0.25 0.22 0.00 0.00 0.00 178.15 177.64 2nef h TYR 115 N 0.00 -0.66 0.00 1.37 3.20 0.13 -2.61 116.97 118.40 2nef h TYR 115 Ca 0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2nef h TYR 115 Cb 0.13 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2nef h TYR 115 CO 0.00 -0.33 0.00 0.72 -1.64 0.00 0.00 178.16 176.91 2nef n HIS 116 N -5.29 0.00 0.00 -3.82 8.25 -1.05 -1.76 115.22 111.55 2nef n HIS 116 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2nef n HIS 116 Cb 0.32 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.30 0.00 0.81 1.59 -2.24 -1.00 -4.79 114.28 107.34 2nef n THR 117 Ca 0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2nef n THR 117 Cb 0.01 -0.14 0.39 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.13 -2.16 -0.78 3.00 -1.17 -4.88 117.38 111.52 2nef n GLN 118 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2nef n GLN 118 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 28.62 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 1.41 0.62 3.73 1.08 0.00 -0.72 -4.15 105.19 107.15 2nef n GLY 119 Ca 0.05 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.39 3.52 0.32 1.61 2.02 -1.25 -4.29 117.35 116.90 2nef s TYR 120 Ca 0.00 1.47 -0.27 0.00 -0.37 0.00 0.00 57.07 57.91 2nef s TYR 120 Cb 0.00 -3.34 -0.09 0.00 -0.40 0.00 0.00 41.96 38.13 2nef s TYR 120 CO 0.00 -0.90 1.01 -0.59 -1.57 0.00 0.00 175.55 173.50 2nef s PHE 121 N 0.32 3.59 -0.78 2.71 -0.12 -1.26 -4.56 117.98 117.88 2nef s PHE 121 Ca 0.53 1.75 -0.26 0.00 -0.05 0.00 0.00 56.93 58.90 2nef s PHE 121 Cb -0.29 -3.07 0.02 0.00 -0.63 0.00 0.00 43.02 39.04 2nef s PHE 121 CO 0.33 -0.16 1.48 -1.25 -0.05 0.00 0.00 175.22 175.56 2nef s PRO 122 N -1.90 3.10 0.00 1.99 0.04 -1.26 -4.56 135.00 132.41 2nef s PRO 122 Ca 0.50 -0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.32 2nef s PRO 122 Cb -0.24 -4.50 0.03 0.00 0.04 0.00 0.00 34.50 29.83 2nef s PRO 122 CO 0.30 -2.37 0.77 -0.40 0.04 0.00 0.00 177.00 175.34 2nef n ASP 123 N 10.32 -0.31 0.00 6.66 5.75 -1.26 -4.92 116.55 132.79 2nef n ASP 123 Ca 0.15 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 2nef n ASP 123 Cb 0.50 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.03 0.00 -2.40 2.11 4.27 -1.26 -5.01 117.44 115.18 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 0.63 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.56 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 -1.38 3.69 0.35 -2.67 1.03 -1.26 -4.38 119.66 115.03 2nef s GLN 125 Ca 0.00 0.99 -0.09 0.00 0.04 0.00 0.00 55.36 56.29 2nef s GLN 125 Cb 0.00 -3.97 0.04 0.00 0.03 0.00 0.00 33.01 29.11 2nef s GLN 125 CO 0.00 -1.42 0.63 0.09 -2.54 0.00 0.00 175.29 172.06 2nef n ASN 126 N 8.36 -1.82 -3.09 12.60 3.02 -1.26 -5.07 115.26 128.01 2nef n ASN 126 Ca 0.15 -2.60 -0.07 0.00 -0.03 0.00 0.00 54.58 52.03 2nef n ASN 126 Cb 0.48 3.12 0.02 0.00 -0.61 0.00 0.00 39.78 42.79 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 -2.80 0.09 0.58 3.10 1.51 -1.26 -3.05 117.35 115.51 2nef s TYR 127 Ca 0.20 -0.69 -0.20 0.00 -1.01 0.00 0.00 57.07 55.37 2nef s TYR 127 Cb -0.03 0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 42.58 2nef s TYR 127 CO 0.14 -1.41 1.27 0.95 -1.11 0.00 0.00 175.55 175.40 2nef s THR 128 N -2.39 2.33 -1.40 -0.71 -4.23 -1.12 -4.79 115.64 103.33 2nef s THR 128 Ca 0.16 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 2nef s THR 128 Cb -0.05 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2nef s THR 128 CO 0.10 -0.03 2.45 -0.81 -0.54 0.00 0.00 174.62 175.79 2nef n PRO 129 N -1.40 2.94 0.00 3.99 -0.04 -1.26 -4.82 135.00 134.41 2nef n PRO 129 Ca 0.13 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2nef n PRO 129 Cb 0.48 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 130 N 3.93 0.59 0.00 0.55 0.00 -1.26 -5.17 105.19 103.83 2nef n GLY 130 Ca 0.61 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 0.64 0.00 1.61 -0.04 -1.26 -4.78 135.00 131.04 2nef n PRO 131 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2nef n PRO 131 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 4.68 -1.44 3.54 0.55 0.00 -1.26 -4.50 105.19 106.76 2nef n GLY 132 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 2nef n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nef n ILE 133 N -0.22 -0.01 -2.43 -0.61 2.08 -1.26 -4.72 119.36 112.19 2nef n ILE 133 Ca 0.00 -0.51 -0.42 0.00 0.56 0.00 0.00 62.75 62.38 2nef n ILE 133 Cb 0.00 -1.49 -0.03 0.00 -0.75 0.00 0.00 39.64 37.37 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2nef s ARG 134 N 8.39 3.36 0.31 0.38 0.52 -1.00 -4.98 118.95 125.93 2nef s ARG 134 Ca 1.05 0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 56.53 2nef s ARG 134 Cb -0.36 -4.10 -0.09 0.00 0.52 0.00 0.00 34.95 30.93 2nef s ARG 134 CO 0.23 -1.86 0.76 0.71 0.02 0.00 0.00 175.30 175.16 2nef s TYR 135 N 5.80 3.45 -0.23 -0.53 1.51 -1.26 -2.68 117.35 123.40 2nef s TYR 135 Ca 0.51 1.32 -0.29 0.00 -1.01 0.00 0.00 57.07 57.60 2nef s TYR 135 Cb -0.10 -2.60 0.01 0.00 -0.11 0.00 0.00 41.96 39.16 2nef s TYR 135 CO 0.26 0.14 1.06 -1.25 -1.11 0.00 0.00 175.55 174.64 2nef s PRO 136 N -2.72 4.25 0.43 -1.71 0.04 -1.26 -2.78 135.00 131.26 2nef s PRO 136 Ca 0.52 1.38 0.13 0.00 0.04 0.00 0.00 61.00 63.07 2nef s PRO 136 Cb -0.12 -3.65 0.95 0.00 0.04 0.00 0.00 34.50 31.72 2nef s PRO 136 CO 0.18 -0.64 1.97 -0.07 0.04 0.00 0.00 177.00 178.48 2nef h LEU 137 N 9.48 0.04-10.24 -3.56 3.38 -1.85 -3.43 115.31 109.13 2nef h LEU 137 Ca -0.20 -0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.35 2nef h LEU 137 Cb 1.06 -0.01 0.20 0.00 0.09 0.00 0.00 40.66 42.00 2nef h LEU 137 CO 0.98 0.23 0.05 -0.89 0.09 0.00 0.00 178.44 178.90 2nef s THR 138 N -4.63 1.70 0.00 0.22 2.01 -1.26 -4.90 115.64 108.78 2nef s THR 138 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2nef s THR 138 Cb 0.16 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2nef s THR 138 CO 0.71 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.97 2nef n PHE 139 N -4.90 0.00 -0.01 4.92 7.35 -1.26 -4.60 117.46 118.96 2nef n PHE 139 Ca 0.08 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 57.00 2nef n PHE 139 Cb 0.58 0.00 0.57 0.00 0.35 0.00 0.00 39.48 40.97 2nef n PHE 139 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2nef h GLY 140 N 0.00 0.00 -7.36 7.13 0.00 -1.87 -3.35 103.07 97.62 2nef h GLY 140 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2nef h GLY 140 CO 0.00 0.00 1.18 0.86 0.00 0.00 0.00 176.54 178.58 2nef s TRP 141 N -4.45 1.95 -0.22 5.60 -0.00 -1.26 -3.69 118.94 116.86 2nef s TRP 141 Ca -0.03 0.34 -0.03 0.00 -0.00 0.00 0.00 56.10 56.38 2nef s TRP 141 Cb 0.13 -4.29 0.01 0.00 -0.00 0.00 0.00 33.47 29.32 2nef s TRP 141 CO 0.45 -2.10 2.62 0.00 -0.00 0.00 0.00 176.95 177.93 2nef s TYR 143 N -0.79 3.06 -0.23 0.00 1.51 -1.26 -1.81 117.35 117.83 2nef s TYR 143 Ca 0.42 -0.07 -0.00 0.00 -1.01 0.00 0.00 57.07 56.41 2nef s TYR 143 Cb 0.26 -1.87 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 2nef s TYR 143 CO -0.07 0.19 -0.01 0.15 -1.11 0.00 0.00 175.55 174.71 2nef s LYS 144 N -0.22 1.23 0.37 -0.62 1.02 -1.05 -4.01 119.74 116.47 2nef s LYS 144 Ca 0.04 -0.86 -0.25 0.00 0.02 0.00 0.00 55.97 54.92 2nef s LYS 144 Cb -0.13 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 2nef s LYS 144 CO 0.02 -0.67 1.06 -0.51 -0.92 0.00 0.00 175.35 174.34 2nef s LEU 145 N 1.54 4.23 -0.26 3.17 1.43 -1.09 -1.24 118.68 126.45 2nef s LEU 145 Ca -0.02 2.10 -0.19 0.00 -1.03 0.00 0.00 54.13 54.98 2nef s LEU 145 Cb -0.18 -4.06 0.07 0.00 0.03 0.00 0.00 46.19 42.05 2nef s LEU 145 CO -0.09 -0.43 0.66 -0.69 0.23 0.00 0.00 176.35 176.03 2nef s VAL 146 N -1.54 -0.00 1.08 -1.59 1.01 -1.06 -2.37 120.40 115.93 2nef s VAL 146 Ca 0.55 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 2nef s VAL 146 Cb -0.24 -0.94 0.27 0.00 0.00 0.00 0.00 36.38 35.47 2nef s VAL 146 CO 0.31 0.00 0.89 -0.81 0.00 0.00 0.00 175.10 175.49 2nef n PRO 147 N 3.53 -3.16 0.00 2.72 -0.04 -1.26 -2.33 135.00 134.46 2nef n PRO 147 Ca -0.17 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2nef n PRO 147 Cb 0.57 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2nef n PRO 147 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2nef n VAL 148 N -4.69 0.00 -2.22 0.52 0.31 -1.26 -4.82 118.33 106.17 2nef n VAL 148 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 2nef n VAL 148 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 2nef n VAL 148 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nef s GLU 149 N 0.89 4.41 0.88 5.55 0.41 -1.26 -4.95 118.70 124.63 2nef s GLU 149 Ca 0.00 2.06 -0.17 0.00 -0.41 0.00 0.00 54.97 56.45 2nef s GLU 149 Cb 0.00 -3.17 -0.15 0.00 -1.78 0.00 0.00 34.13 29.03 2nef s GLU 149 CO 0.00 -0.20 -0.65 -2.30 -0.49 0.00 0.00 175.26 171.62 2nef n PRO 150 N 2.16 0.00 0.03 0.39 -0.02 -1.26 -4.70 135.00 131.60 2nef n PRO 150 Ca 0.04 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.55 2nef n PRO 150 Cb 0.43 -1.00 0.12 0.00 -0.02 0.00 0.00 33.50 33.03 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 2.26 0.02 -1.80 -0.52 -0.58 -1.26 -3.60 120.64 115.17 2nef n GLU 151 Ca 0.00 0.50 -0.41 0.00 -0.42 0.00 0.00 57.16 56.84 2nef n GLU 151 Cb 0.54 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 2nef n GLU 151 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2nef n LYS 152 N -1.63 3.54 -2.31 3.49 4.81 -1.26 -4.96 118.16 119.83 2nef n LYS 152 Ca 0.00 -2.85 -0.30 0.00 -0.87 0.00 0.00 58.31 54.29 2nef n LYS 152 Cb 0.02 -2.97 -0.01 0.00 0.02 0.00 0.00 35.03 32.09 2nef n LYS 152 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2nef s LEU 153 N 0.43 3.50 -0.41 3.14 0.05 -1.24 -5.02 118.68 119.13 2nef s LEU 153 Ca 0.52 1.29 0.06 0.00 0.05 0.00 0.00 54.13 56.06 2nef s LEU 153 Cb 0.15 -4.27 0.32 0.00 -2.05 0.00 0.00 46.19 40.33 2nef s LEU 153 CO -0.06 -0.67 1.22 -1.84 -0.55 0.00 0.00 176.35 174.45 2nef n GLU 154 N -2.15 0.81 -0.67 1.48 0.28 -1.26 -4.97 120.64 114.16 2nef n GLU 154 Ca 0.04 -1.58 -0.03 0.00 -0.16 0.00 0.00 57.16 55.43 2nef n GLU 154 Cb 0.54 -0.63 -0.03 0.00 1.43 0.00 0.00 31.44 32.75 2nef n GLU 154 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2nef n GLU 155 N 0.19 0.00 -3.15 3.44 0.00 -1.26 -5.09 120.64 114.78 2nef n GLU 155 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 57.16 56.77 2nef n GLU 155 Cb 0.73 0.30 -0.01 0.00 0.00 0.00 0.00 31.44 32.46 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nef s ALA 156 N 0.00 -2.75 -0.38 -1.84 0.00 -1.26 -5.01 121.76 110.52 2nef s ALA 156 Ca 0.00 1.40 0.22 0.00 0.00 0.00 0.00 51.96 53.58 2nef s ALA 156 Cb 0.00 -2.46 0.27 0.00 0.00 0.00 0.00 23.12 20.93 2nef s ALA 156 CO 0.00 -1.66 1.54 -0.91 0.00 0.00 0.00 175.76 174.73 2nef h ASN 157 N 7.89 0.00 -2.75 0.00 -0.26 -2.02 -3.43 115.58 115.02 2nef h ASN 157 Ca -0.11 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 55.08 2nef h ASN 157 Cb 1.18 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.39 2nef h ASN 157 CO 0.11 0.08 1.19 -0.54 -1.06 0.00 0.00 177.43 177.21 2nef s LYS 158 N -3.18 3.26 0.32 0.81 1.02 -1.26 -4.98 119.74 115.73 2nef s LYS 158 Ca 0.06 0.91 -0.05 0.00 0.02 0.00 0.00 55.97 56.92 2nef s LYS 158 Cb 0.06 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 2nef s LYS 158 CO 0.69 -1.96 0.59 -0.51 -0.92 0.00 0.00 175.35 173.24 2nef s ASP 174 N 5.46 6.41 -0.02 2.83 1.01 -1.26 -5.10 116.67 126.00 2nef s ASP 174 Ca 0.66 0.72 -0.23 0.00 0.71 0.00 0.00 52.55 54.41 2nef s ASP 174 Cb -0.15 -2.15 0.05 0.00 1.01 0.00 0.00 42.92 41.68 2nef s ASP 174 CO 0.29 -0.26 0.51 -1.81 0.21 0.00 0.00 175.17 174.11 2nef s ASP 175 N -3.37 -0.44 0.00 0.27 1.01 -1.26 -5.02 116.67 107.86 2nef s ASP 175 Ca 0.44 0.40 0.09 0.00 0.71 0.00 0.00 52.55 54.19 2nef s ASP 175 Cb -0.10 0.44 0.56 0.00 1.01 0.00 0.00 42.92 44.82 2nef s ASP 175 CO 0.32 -0.56 1.05 -0.81 0.21 0.00 0.00 175.17 175.38 2nef n PRO 176 N 1.00 0.59 -2.15 8.23 -0.04 -1.26 -4.46 135.00 136.91 2nef n PRO 176 Ca -0.20 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 2nef n PRO 176 Cb 0.57 -1.25 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2nef n PRO 176 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 177 N -0.75 3.00 -2.64 0.54 -0.58 -1.26 -4.94 120.64 114.02 2nef n GLU 177 Ca 0.07 -2.93 -0.43 0.00 -0.42 0.00 0.00 57.16 53.46 2nef n GLU 177 Cb 0.03 -3.39 -0.02 0.00 -0.57 0.00 0.00 31.44 27.48 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2nef s ARG 178 N 3.75 4.36 0.24 3.49 3.52 -1.26 -5.00 118.95 128.04 2nef s ARG 178 Ca 0.51 1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 57.25 2nef s ARG 178 Cb 0.09 -3.58 -0.09 0.00 -1.56 0.00 0.00 34.95 29.81 2nef s ARG 178 CO -0.00 -0.43 1.10 -1.21 -0.81 0.00 0.00 175.30 173.95 2nef s GLU 179 N 2.40 4.62 0.00 5.12 2.02 -1.26 -5.04 118.70 126.56 2nef s GLU 179 Ca 0.49 1.77 0.00 0.00 0.02 0.00 0.00 54.97 57.24 2nef s GLU 179 Cb -0.18 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2nef s GLU 179 CO 0.15 0.16 0.00 0.28 0.02 0.00 0.00 175.26 175.87 2nef n VAL 180 N 1.71 0.00 -4.86 2.63 0.31 -1.26 -4.85 118.33 112.01 2nef n VAL 180 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 2nef n VAL 180 Cb 0.45 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.25 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 2.78 -0.10 7.52 1.43 -1.21 -4.37 118.68 124.73 2nef s LEU 181 Ca 0.00 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 2nef s LEU 181 Cb 0.00 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2nef s LEU 181 CO 0.00 0.34 0.07 -1.83 0.23 0.00 0.00 176.35 175.16 2nef s GLU 182 N -0.70 3.20 -0.24 1.70 -1.05 -0.98 0.34 118.70 120.96 2nef s GLU 182 Ca 0.11 -0.27 -0.29 0.00 -0.15 0.00 0.00 54.97 54.36 2nef s GLU 182 Cb -0.11 -2.98 -0.01 0.00 -0.44 0.00 0.00 34.13 30.59 2nef s GLU 182 CO 0.01 0.74 1.35 -1.58 0.95 0.00 0.00 175.26 176.73 2nef s TRP 183 N -0.96 2.62 -0.73 4.83 0.51 -1.00 -2.58 118.94 121.64 2nef s TRP 183 Ca 0.14 0.84 -0.17 0.00 -2.12 0.00 0.00 56.10 54.79 2nef s TRP 183 Cb -0.12 -3.81 0.15 0.00 -0.81 0.00 0.00 33.47 28.89 2nef s TRP 183 CO 0.03 -1.96 0.78 0.50 -0.51 0.00 0.00 176.95 175.79 2nef s ARG 184 N 4.06 3.33 0.19 4.98 3.52 -0.37 0.16 118.95 134.82 2nef s ARG 184 Ca 0.59 -1.84 -0.31 0.00 -0.13 0.00 0.00 55.73 54.04 2nef s ARG 184 Cb -0.20 -4.45 -0.10 0.00 -1.56 0.00 0.00 34.95 28.65 2nef s ARG 184 CO 0.22 -1.47 1.48 0.12 -0.81 0.00 0.00 175.30 174.83 2nef s PHE 185 N 1.69 3.08 -0.46 5.12 2.19 -1.26 -2.52 117.98 125.82 2nef s PHE 185 Ca 0.17 0.86 0.07 0.00 0.33 0.00 0.00 56.93 58.35 2nef s PHE 185 Cb -0.17 -3.84 0.26 0.00 -1.31 0.00 0.00 43.02 37.97 2nef s PHE 185 CO -0.02 -2.91 0.82 -3.47 1.83 0.00 0.00 175.22 171.47 2nef n ASP 186 N 3.25 -1.92 0.02 6.13 2.03 -0.75 -4.97 116.55 120.34 2nef n ASP 186 Ca 0.10 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.22 2nef n ASP 186 Cb 0.40 1.13 0.02 0.00 -0.72 0.00 0.00 41.12 41.95 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 1.37 0.01 0.25 1.67 3.41 -1.26 -0.55 113.62 118.53 2nef n SER 187 Ca 0.12 0.14 0.09 0.00 -0.26 0.00 0.00 58.87 58.96 2nef n SER 187 Cb 0.62 -0.11 0.64 0.00 -0.26 0.00 0.00 64.21 65.09 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 2.47 -1.93 -0.50 114.38 118.75 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2nef h ARG 188 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 2nef h ARG 188 CO 0.00 0.12 0.00 -0.11 0.56 0.00 0.00 179.97 180.54 2nef n LEU 189 N -4.09 0.00 0.00 3.04 0.00 0.29 -1.94 117.00 114.29 2nef n LEU 189 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 56.01 56.09 2nef n LEU 189 Cb 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 43.42 43.53 2nef n LEU 189 CO 0.33 -0.10 0.38 0.00 0.00 0.00 0.00 177.39 178.00 2nef n ALA 190 N -1.10 2.25 -0.81 1.96 0.00 -0.20 -2.95 120.51 119.65 2nef n ALA 190 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2nef n ALA 190 Cb 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.51 0.00 -3.57 0.00 3.72 -0.82 -5.04 117.46 111.24 2nef n PHE 191 Ca 0.00 -0.07 -0.06 0.00 -0.05 0.00 0.00 57.45 57.27 2nef n PHE 191 Cb 0.00 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2nef n PHE 191 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2nef n HIS 192 N -0.07 -1.41 -3.26 1.38 1.44 -1.15 -5.14 115.22 107.01 2nef n HIS 192 Ca 0.00 -1.06 -0.06 0.00 -2.01 0.00 0.00 57.72 54.59 2nef n HIS 192 Cb 0.39 0.40 -0.04 0.00 0.12 0.00 0.00 29.99 30.87 2nef n HIS 192 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2nef s HIS 193 N -4.88 -1.21 -0.05 -1.40 -3.43 -1.26 -4.93 115.29 98.14 2nef s HIS 193 Ca 0.11 0.04 -0.24 0.00 -0.80 0.00 0.00 55.06 54.17 2nef s HIS 193 Cb -0.02 0.03 -0.19 0.00 -1.43 0.00 0.00 32.58 30.97 2nef s HIS 193 CO 0.08 -1.08 1.04 0.52 -2.00 0.00 0.00 174.74 173.31 2nef h MET 194 N 7.32 -0.10 -1.08 -0.38 2.86 -1.96 -2.98 114.93 118.60 2nef h MET 194 Ca 0.02 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 57.96 2nef h MET 194 Cb 1.13 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.72 2nef h MET 194 CO 0.16 0.43 0.70 0.00 1.06 0.00 0.00 176.91 179.26 2nef h ALA 195 N 0.10 2.37 -0.15 6.32 0.00 -1.95 0.71 119.26 126.65 2nef h ALA 195 Ca -0.01 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2nef h ALA 195 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2nef h ALA 195 CO 0.02 -0.80 -0.49 -0.09 0.00 0.00 0.00 179.25 177.89 2nef h ARG 196 N 0.32 0.40 0.00 0.00 2.43 -1.89 -2.34 114.38 113.30 2nef h ARG 196 Ca 0.62 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2nef h ARG 196 Cb 1.70 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2nef h ARG 196 CO -0.29 0.80 0.00 1.49 -1.51 0.00 0.00 179.97 180.47 2nef h GLU 197 N 0.32 0.00 0.00 0.20 4.57 0.57 -3.30 114.58 116.94 2nef h GLU 197 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2nef h GLU 197 Cb 0.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2nef h GLU 197 CO 0.08 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.19 2nef n LEU 198 N -2.77 1.38 -3.30 1.64 4.32 -0.89 -4.91 117.00 112.46 2nef n LEU 198 Ca 0.00 0.28 -0.12 0.00 -0.02 0.00 0.00 56.01 56.15 2nef n LEU 198 Cb 0.23 -0.26 -0.06 0.00 -1.62 0.00 0.00 43.42 41.72 2nef n LEU 198 CO 0.23 -0.26 -0.09 -1.38 -1.22 0.00 0.00 177.39 174.67 2nef s HIS 199 N -0.59 -0.65 -0.51 -1.77 -3.43 -1.18 -5.10 115.29 102.07 2nef s HIS 199 Ca 0.00 -0.61 -0.26 0.00 -0.80 0.00 0.00 55.06 53.38 2nef s HIS 199 Cb 0.00 -0.22 -0.08 0.00 -1.43 0.00 0.00 32.58 30.85 2nef s HIS 199 CO 0.00 -1.03 2.43 -2.30 -2.00 0.00 0.00 174.74 171.84 2nef n PRO 200 N 4.18 1.01 -0.00 -0.38 -0.02 -1.24 -4.76 135.00 133.78 2nef n PRO 200 Ca 0.12 0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.60 2nef n PRO 200 Cb 0.48 -3.34 -0.00 0.00 -0.02 0.00 0.00 33.50 30.62 2nef n PRO 200 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nef n GLU 201 N 8.97 0.04 0.00 -0.52 2.13 -1.26 -4.64 120.64 125.37 2nef n GLU 201 Ca 0.38 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2nef n GLU 201 Cb 0.52 -0.33 0.00 0.00 0.27 0.00 0.00 31.44 31.90 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2nef n TYR 202 N -2.76 0.00 -3.52 4.31 4.02 -1.26 -4.80 117.16 113.16 2nef n TYR 202 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 2nef n TYR 202 Cb 0.04 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 2nef n TYR 202 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2nef s PHE 203 N -1.80 3.46 0.00 -0.72 0.40 -1.26 -5.05 117.98 113.01 2nef s PHE 203 Ca 0.00 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 2nef s PHE 203 Cb 0.00 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.36 2nef s PHE 203 CO 0.00 0.36 0.00 1.63 0.70 0.00 0.00 175.22 177.91 2nef n LYS 204 N 0.08 0.00 -1.42 0.44 5.02 -1.26 -4.13 118.16 116.88 2nef n LYS 204 Ca -0.01 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 55.80 2nef n LYS 204 Cb 0.52 -0.20 -0.11 0.00 -0.02 0.00 0.00 35.03 35.22 2nef n LYS 204 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2nef n ASN 205 N 0.00 1.12 -0.10 4.39 3.02 -1.26 -5.05 115.26 117.38 2nef n ASN 205 Ca 0.00 0.29 0.16 0.00 -0.03 0.00 0.00 54.58 54.99 2nef n ASN 205 Cb 0.00 -1.08 0.86 0.00 -0.61 0.00 0.00 39.78 38.95 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64