#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 -2.02 -1.93 115.95 117.08 2nef h TRP 57 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 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 0.00 -0.84 -0.07 -1.28 0.00 0.00 178.44 176.25 2nef h LEU 58 N 0.00 0.00 0.00 0.11 3.38 -2.03 -3.16 115.31 113.61 2nef h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nef h LEU 58 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2nef h LEU 58 CO 0.00 0.49 0.00 1.21 0.09 0.00 0.00 178.44 180.23 2nef n GLU 59 N -3.07 0.77 -2.12 1.13 2.13 -0.73 -4.65 120.64 114.10 2nef n GLU 59 Ca -0.02 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.42 2nef n GLU 59 Cb 0.76 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.94 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef s ALA 60 N -2.04 2.23 0.00 4.31 0.00 -1.20 -4.90 121.76 120.16 2nef s ALA 60 Ca 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2nef s ALA 60 Cb 0.18 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2nef s ALA 60 CO 0.30 -3.86 0.00 1.04 0.00 0.00 0.00 175.76 173.24 2nef n GLN 61 N 9.20 0.00 -0.09 0.00 6.02 -1.26 -4.92 117.38 126.33 2nef n GLN 61 Ca 0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2nef n GLN 61 Cb 0.51 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.64 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 1.17 0.00 -1.09 0.28 -1.26 -4.98 120.64 114.76 2nef n GLU 62 Ca 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2nef n GLU 62 Cb 0.00 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.43 2nef n GLU 62 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2nef n GLU 63 N -2.66 -0.74 0.00 3.44 0.28 -1.26 -5.00 120.64 114.70 2nef n GLU 63 Ca -0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.72 2nef n GLU 63 Cb 1.05 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.92 2nef n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2nef n GLU 64 N -1.21 0.37 -1.71 3.44 2.13 -1.26 -5.01 120.64 117.38 2nef n GLU 64 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 2nef n GLU 64 Cb 0.00 -0.59 -0.03 0.00 0.27 0.00 0.00 31.44 31.10 2nef n GLU 64 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2nef s GLU 65 N -1.17 2.86 0.00 5.31 2.56 -1.26 -4.93 118.70 122.06 2nef s GLU 65 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.60 2nef s GLU 65 Cb 0.00 -4.39 0.00 0.00 2.00 0.00 0.00 34.13 31.74 2nef s GLU 65 CO 0.00 -2.42 0.00 0.28 -0.56 0.00 0.00 175.26 172.56 2nef n VAL 66 N 7.71 0.00 0.05 3.70 0.31 -1.26 -4.98 118.33 123.86 2nef n VAL 66 Ca 0.29 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.40 2nef n VAL 66 Cb 0.48 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.27 2nef n VAL 66 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2nef h GLY 67 N 0.00 0.40 -4.29 2.92 0.00 -1.92 -3.48 103.07 96.70 2nef h GLY 67 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 47.33 46.22 2nef h GLY 67 CO 0.00 0.89 -0.05 -0.11 0.00 0.00 0.00 176.54 177.27 2nef s PHE 68 N -2.56 -0.42 -0.24 5.60 -0.71 -1.26 -5.13 117.98 113.26 2nef s PHE 68 Ca -0.18 0.72 -0.29 0.00 -1.04 0.00 0.00 56.93 56.13 2nef s PHE 68 Cb 0.06 0.25 -0.00 0.00 -1.21 0.00 0.00 43.02 42.11 2nef s PHE 68 CO 0.82 -0.49 1.23 -1.25 -1.34 0.00 0.00 175.22 174.19 2nef s PRO 69 N -1.20 4.11 0.00 1.99 0.04 -1.26 -5.03 135.00 133.64 2nef s PRO 69 Ca -0.12 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2nef s PRO 69 Cb -0.03 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2nef s PRO 69 CO 0.07 -0.87 0.00 1.33 0.04 0.00 0.00 177.00 177.57 2nef n VAL 70 N 5.72 0.00 -3.23 -0.36 0.24 -1.26 -5.03 118.33 114.41 2nef n VAL 70 Ca 0.14 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.05 2nef n VAL 70 Cb 0.46 -1.91 -0.06 0.00 -1.47 0.00 0.00 33.84 30.87 2nef n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2nef s THR 71 N -0.70 4.90 0.00 3.34 -4.23 -1.26 -5.08 115.64 112.61 2nef s THR 71 Ca 0.00 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 2nef s THR 71 Cb 0.00 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2nef s THR 71 CO 0.00 0.44 0.00 -0.81 -0.54 0.00 0.00 174.62 173.71 2nef n PRO 72 N 2.58 1.12 -1.12 3.99 -0.04 -1.26 -4.02 135.00 136.24 2nef n PRO 72 Ca -0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.11 2nef n PRO 72 Cb 0.51 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.00 0.00 -2.96 0.54 6.02 -1.26 -4.72 117.38 114.99 2nef n GLN 73 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2nef n GLN 73 Cb 0.00 -1.05 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2nef s VAL 74 N 5.37 4.89 -0.35 5.09 -7.23 -1.26 -4.92 120.40 121.98 2nef s VAL 74 Ca 1.01 0.33 -0.32 0.00 -1.81 0.00 0.00 61.98 61.19 2nef s VAL 74 Cb -0.88 -3.77 -0.14 0.00 0.56 0.00 0.00 36.38 32.15 2nef s VAL 74 CO 0.38 -0.54 1.28 -2.65 -0.31 0.00 0.00 175.10 173.26 2nef n PRO 75 N -1.43 0.00 -1.59 4.82 -0.02 -1.26 -4.66 135.00 130.86 2nef n PRO 75 Ca 0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 2nef n PRO 75 Cb 0.54 -1.06 -0.04 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 2.94 3.26 0.42 2.45 1.43 -1.26 -4.94 118.68 122.98 2nef s LEU 76 Ca 0.78 0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 2nef s LEU 76 Cb -1.06 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2nef s LEU 76 CO 0.54 -3.12 0.78 -0.13 0.23 0.00 0.00 176.35 174.65 2nef s ARG 77 N 8.37 3.77 0.03 1.70 0.52 -1.26 -5.01 118.95 127.07 2nef s ARG 77 Ca 0.95 0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 56.33 2nef s ARG 77 Cb -0.16 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 2nef s ARG 77 CO 0.21 -0.06 1.58 -1.25 0.02 0.00 0.00 175.30 175.79 2nef s PRO 78 N -3.93 4.22 -0.40 3.54 0.04 -1.26 -4.91 135.00 132.30 2nef s PRO 78 Ca 0.51 2.20 -0.28 0.00 0.04 0.00 0.00 61.00 63.48 2nef s PRO 78 Cb -0.10 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 2nef s PRO 78 CO 0.32 -0.70 1.97 1.41 0.04 0.00 0.00 177.00 180.04 2nef s MET 79 N 2.78 2.96 0.12 4.56 1.75 -1.26 -4.95 119.30 125.25 2nef s MET 79 Ca 0.71 1.35 -0.16 0.00 -1.25 0.00 0.00 55.69 56.34 2nef s MET 79 Cb -0.36 -4.33 -0.07 0.00 2.84 0.00 0.00 34.83 32.91 2nef s MET 79 CO 0.30 -2.30 0.54 0.95 -0.65 0.00 0.00 175.02 173.86 2nef s THR 80 N 8.41 4.84 0.26 10.11 -4.23 -1.26 -4.92 115.64 128.85 2nef s THR 80 Ca 0.83 0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 62.25 2nef s THR 80 Cb -0.21 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.09 2nef s THR 80 CO 0.30 0.35 1.77 0.10 -0.54 0.00 0.00 174.62 176.59 2nef h TYR 81 N 3.89 0.77 -0.17 3.99 -0.00 -1.92 2.53 116.97 126.06 2nef h TYR 81 Ca -0.49 0.03 0.05 0.00 -0.00 0.00 0.00 58.73 58.32 2nef h TYR 81 Cb 1.20 -0.22 -0.01 0.00 -0.00 0.00 0.00 36.73 37.71 2nef h TYR 81 CO 0.66 0.20 0.12 -0.22 -0.00 0.00 0.00 178.16 178.93 2nef h LYS 82 N 0.64 0.01 -0.78 0.10 3.64 -1.92 0.17 116.57 118.43 2nef h LYS 82 Ca 0.45 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 2nef h LYS 82 Cb 0.62 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 2nef h LYS 82 CO -0.35 0.01 0.32 0.00 -2.27 0.00 0.00 179.45 177.16 2nef h ALA 83 N 1.91 1.10 -0.20 5.00 0.00 0.40 -1.05 119.26 126.42 2nef h ALA 83 Ca 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2nef h ALA 83 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2nef h ALA 83 CO -0.00 0.65 0.11 0.00 0.00 0.00 0.00 179.25 180.00 2nef h ALA 84 N 1.22 0.26 0.07 0.00 0.00 -0.46 0.49 119.26 120.84 2nef h ALA 84 Ca 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2nef h ALA 84 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2nef h ALA 84 CO -0.02 -0.20 -0.03 0.28 0.00 0.00 0.00 179.25 179.27 2nef h VAL 85 N 0.21 1.03 -0.34 0.00 2.07 -1.28 1.20 116.25 119.15 2nef h VAL 85 Ca 0.07 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.26 2nef h VAL 85 Cb 0.08 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2nef h VAL 85 CO -0.01 0.09 0.18 0.44 0.02 0.00 0.00 177.57 178.29 2nef h ASP 86 N -0.25 0.29 -0.44 0.57 5.19 -1.10 -2.10 116.42 118.57 2nef h ASP 86 Ca -0.01 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2nef h ASP 86 Cb 0.22 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2nef h ASP 86 CO 0.02 0.21 0.23 0.25 -3.12 0.00 0.00 179.24 176.83 2nef h LEU 87 N 0.38 0.55 0.01 1.55 5.85 0.25 0.20 115.31 124.11 2nef h LEU 87 Ca 0.14 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2nef h LEU 87 Cb 0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2nef h LEU 87 CO -0.08 0.50 -0.43 0.77 -0.34 0.00 0.00 178.44 178.86 2nef h SER 88 N 0.57 -1.30 0.71 1.25 4.64 0.21 -0.88 113.55 118.75 2nef h SER 88 Ca 0.15 0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 2nef h SER 88 Cb 0.08 0.50 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2nef h SER 88 CO -0.02 -0.47 -0.30 0.45 -0.87 0.00 0.00 176.83 175.63 2nef h HIS 89 N -0.59 0.00 -0.22 4.77 3.86 -1.29 -3.06 115.15 118.62 2nef h HIS 89 Ca 0.04 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2nef h HIS 89 Cb 0.66 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 2nef h HIS 89 CO -0.42 0.30 -0.09 0.35 0.86 0.00 0.00 177.93 178.92 2nef h PHE 90 N 0.00 -0.21 -0.72 2.45 3.04 0.82 -1.59 116.94 120.73 2nef h PHE 90 Ca -0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2nef h PHE 90 Cb 0.73 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.33 2nef h PHE 90 CO 0.00 -0.15 0.41 -0.07 -2.02 0.00 0.00 178.31 176.48 2nef h LEU 91 N -0.06 0.89 0.00 0.59 3.38 -1.33 -1.54 115.31 117.24 2nef h LEU 91 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2nef h LEU 91 Cb 0.23 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2nef h LEU 91 CO -0.26 0.72 0.00 0.29 0.09 0.00 0.00 178.44 179.28 2nef n LYS 92 N -4.49 0.03 0.00 1.13 4.76 -0.64 -1.37 118.16 117.58 2nef n LYS 92 Ca 0.06 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 2nef n LYS 92 Cb 0.08 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2nef n LYS 92 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2nef n GLU 93 N -1.34 0.00 -0.08 1.97 1.02 -0.58 -4.71 120.64 116.92 2nef n GLU 93 Ca 0.01 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2nef n GLU 93 Cb 0.03 -0.80 -0.05 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.00 -7.27 3.49 1.57 -1.70 -3.47 116.57 109.19 2nef h LYS 94 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2nef h LYS 94 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.41 2nef h LYS 94 CO 0.00 0.38 0.36 0.20 -0.57 0.00 0.00 179.45 179.82 2nef s GLY 95 N -4.37 1.88 -0.55 3.86 0.00 -0.47 -5.03 107.32 102.65 2nef s GLY 95 Ca -0.18 0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.89 2nef s GLY 95 CO 0.34 0.64 0.37 -0.32 0.00 0.00 0.00 173.10 174.14 2nef s GLY 96 N -3.18 2.11 0.32 0.20 0.00 -1.26 -3.71 107.32 101.80 2nef s GLY 96 Ca 0.62 -3.11 0.19 0.00 0.00 0.00 0.00 44.72 42.42 2nef s GLY 96 CO 0.48 1.48 1.42 -2.00 0.00 0.00 0.00 173.10 174.48 2nef h LEU 97 N 5.87 0.00 -9.57 0.66 5.85 -1.96 -3.44 115.31 112.71 2nef h LEU 97 Ca 0.13 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.27 2nef h LEU 97 Cb 0.85 0.00 0.17 0.00 0.37 0.00 0.00 40.66 42.05 2nef h LEU 97 CO 0.56 0.28 -0.28 1.21 -0.34 0.00 0.00 178.44 179.86 2nef n GLU 98 N -3.10 0.58 -0.50 1.25 2.13 -1.26 -1.37 120.64 118.37 2nef n GLU 98 Ca 0.02 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2nef n GLU 98 Cb 0.65 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.68 0.00 3.65 8.31 0.00 0.09 -4.88 105.19 114.04 2nef n GLY 99 Ca 0.12 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 4.09 -0.34 0.99 2.96 -0.47 -4.74 118.68 121.17 2nef s LEU 100 Ca 0.00 1.56 -0.28 0.00 -0.22 0.00 0.00 54.13 55.19 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 -0.86 2.05 -0.63 -1.32 0.00 0.00 176.35 175.59 2nef s ILE 101 N 3.78 3.22 -0.43 6.68 -1.09 -1.26 -2.73 121.20 129.37 2nef s ILE 101 Ca 0.56 0.21 -0.27 0.00 -2.23 0.00 0.00 60.65 58.92 2nef s ILE 101 Cb -0.20 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2nef s ILE 101 CO 0.17 -0.25 2.08 -2.28 -1.23 0.00 0.00 174.94 173.43 2nef s HIS 102 N 8.37 1.43 0.00 3.97 5.65 1.04 -4.85 115.29 130.90 2nef s HIS 102 Ca 0.89 0.94 0.00 0.00 0.25 0.00 0.00 55.06 57.14 2nef s HIS 102 Cb -0.25 -3.92 0.00 0.00 -1.18 0.00 0.00 32.58 27.24 2nef s HIS 102 CO 0.32 -2.86 0.27 0.45 -0.65 0.00 0.00 174.74 172.27 2nef n SER 103 N 12.89 0.00 0.00 9.88 2.88 -1.26 -3.37 113.62 134.64 2nef n SER 103 Ca 0.28 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2nef n SER 103 Cb 0.50 -0.13 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 -0.89 0.00 0.05 -1.46 7.27 -1.26 -4.86 117.38 116.23 2nef n GLN 104 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 2nef n GLN 104 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nef n ARG 105 N -1.48 0.62 0.12 3.69 1.74 -1.26 -4.02 116.66 116.06 2nef n ARG 105 Ca 0.00 0.17 0.19 0.00 -0.77 0.00 0.00 57.85 57.43 2nef n ARG 105 Cb 0.00 -1.79 0.76 0.00 -1.02 0.00 0.00 32.46 30.41 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nef h ARG 106 N 0.00 0.00 -0.18 5.56 3.08 -1.95 -0.97 114.38 119.91 2nef h ARG 106 Ca -0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2nef h ARG 106 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2nef h ARG 106 CO 0.03 0.00 0.06 -0.56 -1.07 0.00 0.00 179.97 178.43 2nef h GLN 107 N 0.00 0.28 -0.12 0.04 3.07 -1.97 -2.38 115.11 114.04 2nef h GLN 107 Ca 0.16 -0.06 0.02 0.00 0.09 0.00 0.00 58.65 58.86 2nef h GLN 107 Cb 0.80 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.30 2nef h GLN 107 CO -0.00 0.38 -0.01 -0.44 0.09 0.00 0.00 178.83 178.85 2nef h ASP 108 N 0.13 -0.07 -1.00 0.06 3.32 -1.42 -1.74 116.42 115.71 2nef h ASP 108 Ca 0.06 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.31 2nef h ASP 108 Cb 0.21 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 39.72 2nef h ASP 108 CO -0.00 -0.02 0.62 0.40 -1.72 0.00 0.00 179.24 178.52 2nef h ILE 109 N 0.03 0.76 0.14 0.35 1.08 -1.38 0.61 117.51 119.10 2nef h ILE 109 Ca 0.05 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2nef h ILE 109 Cb 0.07 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 2nef h ILE 109 CO -0.10 0.14 -0.07 0.25 -0.69 0.00 0.00 178.15 177.68 2nef h LEU 110 N 0.79 -0.16 -0.78 1.44 5.85 -0.80 0.87 115.31 122.52 2nef h LEU 110 Ca 0.55 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.41 2nef h LEU 110 Cb 0.82 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 2nef h LEU 110 CO -0.33 -0.10 0.35 0.44 -0.34 0.00 0.00 178.44 178.46 2nef h ASP 111 N -0.22 0.39 0.36 1.25 3.32 -1.16 -0.48 116.42 119.87 2nef h ASP 111 Ca -0.02 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2nef h ASP 111 Cb 0.15 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2nef h ASP 111 CO 0.03 0.16 -0.17 0.25 -1.72 0.00 0.00 179.24 177.79 2nef h LEU 112 N 0.52 -0.41 -0.78 1.55 5.85 0.25 -2.43 115.31 119.86 2nef h LEU 112 Ca 0.42 -0.11 0.17 0.00 0.84 0.00 0.00 57.88 59.20 2nef h LEU 112 Cb 0.60 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.63 2nef h LEU 112 CO -0.37 -0.11 0.25 -0.25 -0.34 0.00 0.00 178.44 177.61 2nef h TRP 113 N -0.72 0.40 -0.08 1.25 7.01 0.14 1.61 115.95 125.56 2nef h TRP 113 Ca -0.05 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2nef h TRP 113 Cb 0.50 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 2nef h TRP 113 CO 0.00 -0.05 0.08 0.82 -2.79 0.00 0.00 178.44 176.50 2nef h ILE 114 N 0.33 0.67 0.02 2.65 2.04 -0.92 -3.12 117.51 119.19 2nef h ILE 114 Ca 0.45 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.31 2nef h ILE 114 Cb 0.78 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2nef h ILE 114 CO -0.50 0.00 -0.01 0.22 0.00 0.00 0.00 178.15 177.86 2nef h TYR 115 N 0.00 -0.03 0.00 1.37 3.20 0.28 -0.84 116.97 120.96 2nef h TYR 115 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2nef h TYR 115 Cb 0.19 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2nef h TYR 115 CO 0.00 -0.02 0.00 -2.39 -1.64 0.00 0.00 178.16 174.11 2nef n HIS 116 N -2.12 0.00 0.00 -3.82 1.44 -1.11 -1.24 115.22 108.37 2nef n HIS 116 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2nef n HIS 116 Cb 0.01 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.06 0.00 0.42 0.61 -2.24 -1.17 -4.22 114.28 107.74 2nef n THR 117 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2nef n THR 117 Cb 0.03 -0.50 0.19 0.00 -2.10 0.00 0.00 70.33 67.95 2nef n THR 117 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2nef h GLN 118 N 0.00 0.00 -0.04 -0.78 4.20 -1.25 -3.43 115.11 113.81 2nef h GLN 118 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2nef h GLN 118 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2nef h GLN 118 CO 0.00 0.00 -0.02 0.41 -0.67 0.00 0.00 178.83 178.55 2nef n GLY 119 N 1.26 0.41 3.71 3.46 0.00 -0.37 -4.63 105.19 109.03 2nef n GLY 119 Ca 0.03 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.75 3.39 0.39 1.61 2.02 -1.26 -4.79 117.35 116.97 2nef s TYR 120 Ca 0.00 1.22 -0.24 0.00 -0.37 0.00 0.00 57.07 57.68 2nef s TYR 120 Cb 0.00 -3.48 -0.09 0.00 -0.40 0.00 0.00 41.96 37.98 2nef s TYR 120 CO 0.00 -1.54 1.02 -0.59 -1.57 0.00 0.00 175.55 172.87 2nef s PHE 121 N 1.01 3.35 -0.71 2.71 -0.12 -1.26 -4.55 117.98 118.41 2nef s PHE 121 Ca 0.60 1.67 -0.27 0.00 -0.05 0.00 0.00 56.93 58.87 2nef s PHE 121 Cb -0.31 -3.06 0.02 0.00 -0.63 0.00 0.00 43.02 39.04 2nef s PHE 121 CO 0.30 -0.41 1.40 -1.25 -0.05 0.00 0.00 175.22 175.21 2nef s PRO 122 N -2.50 3.08 0.00 1.99 0.04 -1.26 -4.62 135.00 131.73 2nef s PRO 122 Ca 0.57 -0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.62 2nef s PRO 122 Cb -0.20 -4.22 0.07 0.00 0.04 0.00 0.00 34.50 30.19 2nef s PRO 122 CO 0.25 -2.26 0.92 -0.40 0.04 0.00 0.00 177.00 175.54 2nef n ASP 123 N 10.09 -0.37 0.00 6.66 5.75 -1.26 -4.89 116.55 132.52 2nef n ASP 123 Ca 0.07 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2nef n ASP 123 Cb 0.50 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.08 0.00 -2.39 2.11 4.27 -1.26 -5.03 117.44 115.22 2nef n TRP 124 Ca -0.14 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.04 2nef n TRP 124 Cb 0.73 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.66 2nef n TRP 124 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2nef s GLN 125 N -1.15 3.81 0.35 -2.67 2.00 -1.26 -4.32 119.66 116.41 2nef s GLN 125 Ca 0.00 1.17 -0.15 0.00 -2.00 0.00 0.00 55.36 54.38 2nef s GLN 125 Cb 0.00 -3.93 0.04 0.00 0.80 0.00 0.00 33.01 29.92 2nef s GLN 125 CO 0.00 -1.26 0.71 -0.80 -0.50 0.00 0.00 175.29 173.44 2nef s ASN 126 N 3.18 0.04 0.04 6.67 0.01 -1.26 -5.07 114.94 118.55 2nef s ASN 126 Ca 0.58 -1.04 -0.27 0.00 -0.71 0.00 0.00 52.86 51.42 2nef s ASN 126 Cb -0.16 0.78 0.08 0.00 0.41 0.00 0.00 41.25 42.36 2nef s ASN 126 CO 0.26 -1.52 0.72 -0.31 -1.51 0.00 0.00 177.10 174.74 2nef s TYR 127 N -2.91 -0.52 0.59 2.20 2.02 -1.26 -3.17 117.35 114.30 2nef s TYR 127 Ca 0.17 0.55 -0.20 0.00 -0.37 0.00 0.00 57.07 57.22 2nef s TYR 127 Cb -0.04 0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 41.99 2nef s TYR 127 CO 0.11 -0.67 1.30 0.95 -1.57 0.00 0.00 175.55 175.67 2nef s THR 128 N -2.67 2.18 0.58 -0.71 -4.23 -1.03 -4.87 115.64 104.89 2nef s THR 128 Ca -0.02 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.52 2nef s THR 128 Cb -0.01 -3.06 0.13 0.00 1.34 0.00 0.00 72.50 70.91 2nef s THR 128 CO -0.05 -0.01 0.78 -0.81 -0.54 0.00 0.00 174.62 173.99 2nef n PRO 129 N -1.44 -0.80 -0.89 3.99 -0.04 -1.26 -4.79 135.00 129.77 2nef n PRO 129 Ca 0.13 -1.21 0.10 0.00 -0.04 0.00 0.00 63.50 62.49 2nef n PRO 129 Cb 0.47 -0.81 -0.06 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.17 -3.12 3.77 0.55 0.00 -1.26 -4.93 105.19 100.04 2nef n GLY 130 Ca 0.10 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2nef n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nef s PRO 131 N -3.83 1.48 0.00 1.61 0.04 -1.26 -4.92 135.00 128.12 2nef s PRO 131 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2nef s PRO 131 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2nef s PRO 131 CO 0.00 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.43 2nef n GLY 132 N -1.89 0.16 3.58 0.56 0.00 -1.26 -4.93 105.19 101.41 2nef n GLY 132 Ca 0.07 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 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 3.52 -0.67 -0.61 1.09 -1.26 -4.57 121.20 118.70 2nef s ILE 133 Ca 0.00 0.45 -0.27 0.00 -1.10 0.00 0.00 60.65 59.74 2nef s ILE 133 Cb 0.00 -3.91 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 2nef s ILE 133 CO 0.00 -0.72 1.58 -0.13 -0.10 0.00 0.00 174.94 175.57 2nef s ARG 134 N 6.07 2.91 0.35 2.79 3.00 -0.57 -4.95 118.95 128.55 2nef s ARG 134 Ca 0.70 0.22 -0.20 0.00 0.00 0.00 0.00 55.73 56.44 2nef s ARG 134 Cb -0.16 -4.28 -0.10 0.00 0.00 0.00 0.00 34.95 30.41 2nef s ARG 134 CO 0.28 -2.43 0.86 0.71 0.00 0.00 0.00 175.30 174.71 2nef s TYR 135 N 7.43 3.44 0.01 -0.53 1.51 -1.26 -2.65 117.35 125.30 2nef s TYR 135 Ca 0.52 1.50 -0.30 0.00 -1.01 0.00 0.00 57.07 57.78 2nef s TYR 135 Cb -0.10 -2.74 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 2nef s TYR 135 CO 0.18 0.07 1.06 -1.25 -1.11 0.00 0.00 175.55 174.50 2nef s PRO 136 N -2.75 4.50 0.02 -1.71 0.04 -1.26 -2.45 135.00 131.39 2nef s PRO 136 Ca 0.55 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 2nef s PRO 136 Cb -0.12 -3.43 -0.15 0.00 0.04 0.00 0.00 34.50 30.84 2nef s PRO 136 CO 0.17 -0.15 1.17 -0.07 0.04 0.00 0.00 177.00 178.17 2nef h LEU 137 N 6.92 -0.81-10.17 -3.56 3.38 -1.88 -3.44 115.31 105.75 2nef h LEU 137 Ca -0.40 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 2nef h LEU 137 Cb 1.21 0.21 0.14 0.00 0.09 0.00 0.00 40.66 42.31 2nef h LEU 137 CO 0.78 -0.48 0.40 0.42 0.09 0.00 0.00 178.44 179.65 2nef s THR 138 N -4.76 2.53 0.35 0.22 -4.23 -1.26 -4.84 115.64 103.66 2nef s THR 138 Ca -0.14 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2nef s THR 138 Cb 0.01 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 2nef s THR 138 CO 0.42 -0.14 0.54 0.12 -0.54 0.00 0.00 174.62 175.02 2nef s PHE 139 N -2.01 3.37 0.00 3.99 5.36 -1.26 -4.34 117.98 123.09 2nef s PHE 139 Ca 0.73 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 2nef s PHE 139 Cb -0.27 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 2nef s PHE 139 CO 0.43 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.64 2nef n GLY 140 N -1.78 2.71 3.55 13.12 0.00 -1.26 -4.84 105.19 116.70 2nef n GLY 140 Ca -0.03 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.33 1.94 0.00 1.61 -0.00 -1.26 -3.49 118.94 116.41 2nef s TRP 141 Ca 0.00 0.36 -0.05 0.00 -0.00 0.00 0.00 56.10 56.41 2nef s TRP 141 Cb 0.00 -4.27 -0.22 0.00 -0.00 0.00 0.00 33.47 28.98 2nef s TRP 141 CO 0.00 -2.08 3.25 0.00 -0.00 0.00 0.00 176.95 178.12 2nef s TYR 143 N 0.94 2.29 -0.22 0.00 2.02 -1.26 -1.74 117.35 119.38 2nef s TYR 143 Ca 0.54 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2nef s TYR 143 Cb 0.26 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.32 2nef s TYR 143 CO 0.00 -0.39 -0.05 0.15 -1.57 0.00 0.00 175.55 173.70 2nef s LYS 144 N 0.42 1.52 0.36 -0.62 1.02 -1.11 -4.30 119.74 117.03 2nef s LYS 144 Ca -0.18 -0.84 -0.26 0.00 0.02 0.00 0.00 55.97 54.71 2nef s LYS 144 Cb -0.17 -2.43 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 2nef s LYS 144 CO 0.08 -0.56 1.07 -0.51 -0.92 0.00 0.00 175.35 174.50 2nef s LEU 145 N 1.49 4.27 -0.25 3.17 1.43 -1.09 -1.72 118.68 125.98 2nef s LEU 145 Ca -0.04 2.13 -0.16 0.00 -1.03 0.00 0.00 54.13 55.02 2nef s LEU 145 Cb -0.18 -4.00 0.07 0.00 0.03 0.00 0.00 46.19 42.12 2nef s LEU 145 CO -0.07 -0.39 0.64 -0.69 0.23 0.00 0.00 176.35 176.07 2nef s VAL 146 N -1.48 -0.00 0.79 -1.59 1.01 -1.05 -1.51 120.40 116.55 2nef s VAL 146 Ca 0.53 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2nef s VAL 146 Cb -0.26 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.27 2nef s VAL 146 CO 0.32 0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.37 2nef s PRO 147 N 1.30 2.16 -0.06 2.72 0.04 -1.26 -2.78 135.00 137.12 2nef s PRO 147 Ca -0.08 0.60 0.05 0.00 0.04 0.00 0.00 61.00 61.61 2nef s PRO 147 Cb -0.05 -1.93 0.25 0.00 0.04 0.00 0.00 34.50 32.80 2nef s PRO 147 CO -0.14 -1.56 0.91 0.28 0.04 0.00 0.00 177.00 176.54 2nef n VAL 148 N -3.38 0.79 0.03 -0.36 0.31 -1.26 -4.15 118.33 110.30 2nef n VAL 148 Ca 0.07 -0.41 -0.08 0.00 -0.01 0.00 0.00 64.34 63.91 2nef n VAL 148 Cb 0.56 -0.37 0.08 0.00 -0.91 0.00 0.00 33.84 33.21 2nef n VAL 148 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2nef h GLU 149 N 1.23 0.47 0.00 5.55 5.08 -1.94 -3.06 114.58 121.92 2nef h GLU 149 Ca 0.00 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2nef h GLU 149 Cb 0.88 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2nef h GLU 149 CO 0.14 0.89 -0.01 -1.35 -1.00 0.00 0.00 179.01 177.68 2nef h PRO 150 N 0.36 0.00 -6.94 2.33 0.11 -2.00 -3.44 132.00 122.43 2nef h PRO 150 Ca 0.01 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2nef h PRO 150 Cb 1.07 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.27 2nef h PRO 150 CO 0.10 0.01 0.69 -2.00 -0.21 0.00 0.00 178.00 176.59 2nef s GLU 151 N -3.88 4.02 0.00 1.05 2.56 -1.16 -4.97 118.70 116.33 2nef s GLU 151 Ca -0.01 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.30 2nef s GLU 151 Cb 0.11 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.38 2nef s GLU 151 CO 0.50 -0.51 0.00 1.63 -0.56 0.00 0.00 175.26 176.32 2nef n LYS 152 N 0.29 0.00 -2.79 4.30 4.01 -1.26 -4.79 118.16 117.92 2nef n LYS 152 Ca 0.02 0.29 -0.42 0.00 -0.51 0.00 0.00 58.31 57.70 2nef n LYS 152 Cb 0.42 -0.77 -0.03 0.00 -0.51 0.00 0.00 35.03 34.13 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2nef s LEU 153 N -3.42 4.14 -0.69 -0.35 2.01 -1.26 -4.97 118.68 114.13 2nef s LEU 153 Ca 0.00 1.25 -0.26 0.00 0.01 0.00 0.00 54.13 55.13 2nef s LEU 153 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 46.19 42.84 2nef s LEU 153 CO 0.00 -0.52 1.62 -0.70 1.01 0.00 0.00 176.35 177.76 2nef s GLU 154 N 2.64 2.88 0.01 1.70 2.56 -1.26 -4.94 118.70 122.29 2nef s GLU 154 Ca 0.41 0.16 -0.30 0.00 0.00 0.00 0.00 54.97 55.23 2nef s GLU 154 Cb -0.16 -4.38 -0.06 0.00 2.00 0.00 0.00 34.13 31.53 2nef s GLU 154 CO 0.10 -2.52 1.37 -2.00 -0.56 0.00 0.00 175.26 171.64 2nef s GLU 155 N 6.46 4.31 -0.29 4.30 2.12 -1.26 -4.97 118.70 129.35 2nef s GLU 155 Ca 0.54 1.94 -0.16 0.00 0.36 0.00 0.00 54.97 57.65 2nef s GLU 155 Cb -0.10 -3.51 0.15 0.00 0.26 0.00 0.00 34.13 30.93 2nef s GLU 155 CO 0.16 -0.52 0.99 0.00 -0.54 0.00 0.00 175.26 175.35 2nef s ALA 156 N 2.11 -2.39 -0.14 6.30 0.00 -1.26 -5.06 121.76 121.32 2nef s ALA 156 Ca 0.63 2.16 -0.29 0.00 0.00 0.00 0.00 51.96 54.46 2nef s ALA 156 Cb -0.31 -1.80 -0.26 0.00 0.00 0.00 0.00 23.12 20.75 2nef s ALA 156 CO 0.27 -0.49 0.74 -0.97 0.00 0.00 0.00 175.76 175.31 2nef h ASN 157 N 6.37 0.00 0.00 0.00 -0.00 -2.04 -3.46 115.58 116.45 2nef h ASN 157 Ca -0.25 -0.97 0.00 0.00 -0.00 0.00 0.00 56.30 55.07 2nef h ASN 157 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 2nef h ASN 157 CO 0.17 1.01 0.00 1.17 -0.00 0.00 0.00 177.43 179.78 2nef n LYS 158 N -4.60 1.03 -3.40 6.67 4.81 -1.26 -5.06 118.16 116.35 2nef n LYS 158 Ca -0.11 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.18 2nef n LYS 158 Cb 0.48 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.44 2nef n LYS 158 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2nef s ASP 174 N -1.44 1.28 0.02 3.14 -4.77 -1.26 -5.14 116.67 108.49 2nef s ASP 174 Ca 0.00 -0.48 -0.21 0.00 -3.30 0.00 0.00 52.55 48.56 2nef s ASP 174 Cb 0.00 0.64 0.05 0.00 -1.09 0.00 0.00 42.92 42.51 2nef s ASP 174 CO 0.00 -0.36 0.48 -1.81 0.70 0.00 0.00 175.17 174.18 2nef s ASP 175 N 2.40 -0.39 0.57 2.11 1.11 -1.26 -5.14 116.67 116.07 2nef s ASP 175 Ca 0.09 0.20 -0.18 0.00 0.18 0.00 0.00 52.55 52.85 2nef s ASP 175 Cb -0.14 0.45 -0.15 0.00 1.07 0.00 0.00 42.92 44.15 2nef s ASP 175 CO -0.26 -0.63 -0.19 -2.65 1.18 0.00 0.00 175.17 172.61 2nef n PRO 176 N 0.68 0.01 -1.24 8.23 -0.02 -1.26 -4.72 135.00 136.68 2nef n PRO 176 Ca -0.19 0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 60.94 2nef n PRO 176 Cb 0.59 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 33.01 2nef n PRO 176 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 177 N 1.58 3.45 -0.26 -0.52 1.02 -1.26 -4.65 120.64 120.01 2nef n GLU 177 Ca 0.07 -2.05 -0.01 0.00 -0.02 0.00 0.00 57.16 55.15 2nef n GLU 177 Cb 0.48 -2.71 0.01 0.00 -0.02 0.00 0.00 31.44 29.20 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2nef n ARG 178 N 3.53 1.07 -2.68 3.49 3.00 -1.26 -4.87 116.66 118.93 2nef n ARG 178 Ca 0.74 -0.15 -0.42 0.00 -0.00 0.00 0.00 57.85 58.01 2nef n ARG 178 Cb 0.28 -1.06 -0.03 0.00 0.00 0.00 0.00 32.46 31.65 2nef n ARG 178 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2nef s GLU 179 N -0.17 4.52 0.00 -0.14 1.03 -1.26 -5.03 118.70 117.65 2nef s GLU 179 Ca 0.03 1.44 0.00 0.00 0.03 0.00 0.00 54.97 56.47 2nef s GLU 179 Cb 0.02 -3.47 0.00 0.00 -0.80 0.00 0.00 34.13 29.88 2nef s GLU 179 CO 0.00 -0.13 0.00 0.28 -1.33 0.00 0.00 175.26 174.09 2nef n VAL 180 N 4.06 0.00 -4.44 1.83 0.31 -1.26 -4.79 118.33 114.03 2nef n VAL 180 Ca 0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 2nef n VAL 180 Cb 0.50 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 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 3.42 -0.04 7.52 1.43 -1.22 -4.28 118.68 125.51 2nef s LEU 181 Ca 0.00 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2nef s LEU 181 Cb 0.00 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2nef s LEU 181 CO 0.00 0.35 -0.08 -1.83 0.23 0.00 0.00 176.35 175.02 2nef s GLU 182 N -1.00 2.63 -0.38 1.70 1.03 -1.12 0.34 118.70 121.90 2nef s GLU 182 Ca 0.14 -0.64 -0.29 0.00 0.03 0.00 0.00 54.97 54.21 2nef s GLU 182 Cb -0.11 -2.52 0.01 0.00 -0.80 0.00 0.00 34.13 30.71 2nef s GLU 182 CO 0.04 0.63 1.34 -1.58 -1.33 0.00 0.00 175.26 174.36 2nef s TRP 183 N -0.87 2.54 -0.62 4.83 0.51 -1.10 -2.54 118.94 121.69 2nef s TRP 183 Ca 0.14 0.74 -0.20 0.00 -2.12 0.00 0.00 56.10 54.66 2nef s TRP 183 Cb -0.11 -4.19 0.09 0.00 -0.81 0.00 0.00 33.47 28.45 2nef s TRP 183 CO 0.03 -1.81 0.79 1.03 -0.51 0.00 0.00 176.95 176.49 2nef s ARG 184 N 4.63 3.08 0.10 4.98 1.81 -0.70 -0.73 118.95 132.12 2nef s ARG 184 Ca 0.58 -1.19 -0.31 0.00 -1.72 0.00 0.00 55.73 53.09 2nef s ARG 184 Cb -0.14 -4.27 -0.07 0.00 -0.45 0.00 0.00 34.95 30.02 2nef s ARG 184 CO 0.29 -1.63 1.34 0.12 -0.68 0.00 0.00 175.30 174.74 2nef s PHE 185 N 3.10 3.29 -0.49 -0.53 5.36 -1.26 -2.76 117.98 124.70 2nef s PHE 185 Ca 0.15 1.04 0.06 0.00 -0.96 0.00 0.00 56.93 57.23 2nef s PHE 185 Cb -0.21 -3.62 0.20 0.00 -0.34 0.00 0.00 43.02 39.05 2nef s PHE 185 CO 0.07 -2.11 0.67 -3.47 -1.46 0.00 0.00 175.22 168.93 2nef n ASP 186 N 3.92 -2.63 0.00 6.13 -0.08 -0.71 -4.98 116.55 118.20 2nef n ASP 186 Ca 0.11 -2.87 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 2nef n ASP 186 Cb 0.43 1.21 0.00 0.00 2.34 0.00 0.00 41.12 45.11 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 2.63 0.00 -0.13 1.67 3.41 -1.26 -1.07 113.62 118.88 2nef n SER 187 Ca 0.19 0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.90 2nef n SER 187 Cb 0.55 -0.12 0.21 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.81 0.00 4.33 2.43 -1.93 -0.42 114.38 119.61 2nef h ARG 188 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2nef h ARG 188 Cb 0.61 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2nef h ARG 188 CO 0.00 0.71 0.00 -0.11 -1.51 0.00 0.00 179.97 179.06 2nef n LEU 189 N -4.29 0.00 0.00 3.80 0.00 -0.23 -1.52 117.00 114.75 2nef n LEU 189 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 56.01 56.22 2nef n LEU 189 Cb 0.21 -0.13 0.28 0.00 0.00 0.00 0.00 43.42 43.77 2nef n LEU 189 CO 0.39 -0.13 0.54 0.00 0.00 0.00 0.00 177.39 178.20 2nef n ALA 190 N -1.13 2.19 0.00 1.96 0.00 -0.17 -3.30 120.51 120.07 2nef n ALA 190 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 190 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.73 0.00 -0.30 0.00 3.72 -0.58 -4.98 117.46 114.59 2nef n PHE 191 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2nef n PHE 191 Cb 0.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 2nef n PHE 191 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2nef n HIS 192 N -1.05 -1.71 -2.68 1.38 8.25 -1.21 -5.05 115.22 113.15 2nef n HIS 192 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2nef n HIS 192 Cb 0.11 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.28 2nef n HIS 192 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2nef n HIS 193 N -1.26 -1.28 -0.03 4.41 1.44 -1.26 -5.01 115.22 112.23 2nef n HIS 193 Ca 0.00 -1.23 -0.14 0.00 -2.01 0.00 0.00 57.72 54.34 2nef n HIS 193 Cb 0.00 1.35 -0.10 0.00 0.12 0.00 0.00 29.99 31.36 2nef n HIS 193 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2nef h MET 194 N 1.83 0.11 -1.03 -1.40 2.86 -1.96 -3.11 114.93 112.22 2nef h MET 194 Ca -0.38 -0.09 0.30 0.00 -2.06 0.00 0.00 59.70 57.47 2nef h MET 194 Cb 1.23 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.87 2nef h MET 194 CO -0.09 0.74 0.74 0.00 1.06 0.00 0.00 176.91 179.37 2nef h ALA 195 N 0.36 2.97 -0.16 6.32 0.00 -1.93 0.54 119.26 127.35 2nef h ALA 195 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2nef h ALA 195 Cb 0.76 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2nef h ALA 195 CO 0.02 -1.27 -0.57 -0.09 0.00 0.00 0.00 179.25 177.34 2nef h ARG 196 N 0.01 0.51 0.00 0.00 2.43 -1.86 -2.82 114.38 112.64 2nef h ARG 196 Ca 0.49 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2nef h ARG 196 Cb 1.97 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2nef h ARG 196 CO -0.01 0.94 -0.10 1.49 -1.51 0.00 0.00 179.97 180.78 2nef h GLU 197 N 0.39 0.00 0.32 0.20 4.57 0.06 -2.99 114.58 117.13 2nef h GLU 197 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2nef h GLU 197 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2nef h GLU 197 CO 0.10 0.10 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.81 2nef h LEU 198 N 0.00 -0.37 -5.86 1.64 3.38 -1.16 -3.44 115.31 109.51 2nef h LEU 198 Ca -0.00 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.56 2nef h LEU 198 Cb 0.68 0.10 -0.30 0.00 0.09 0.00 0.00 40.66 41.23 2nef h LEU 198 CO 0.01 0.05 -0.79 -1.00 0.09 0.00 0.00 178.44 176.81 2nef s HIS 199 N -2.97 0.02 -0.07 1.13 3.76 -1.18 -4.97 115.29 111.00 2nef s HIS 199 Ca -0.06 -1.61 -0.03 0.00 -0.15 0.00 0.00 55.06 53.21 2nef s HIS 199 Cb 0.01 -0.43 -0.26 0.00 1.11 0.00 0.00 32.58 33.00 2nef s HIS 199 CO 0.19 -1.00 0.55 -1.00 -0.85 0.00 0.00 174.74 172.63 2nef h PRO 200 N 5.47 0.22 0.00 8.40 0.13 -1.77 -3.35 132.00 141.11 2nef h PRO 200 Ca 0.18 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2nef h PRO 200 Cb 0.99 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2nef h PRO 200 CO 0.23 1.06 0.44 -1.91 -0.23 0.00 0.00 178.00 177.59 2nef n GLU 201 N -3.40 0.07 -0.04 0.86 4.07 -1.26 -0.42 120.64 120.52 2nef n GLU 201 Ca -0.25 0.54 -0.15 0.00 -0.06 0.00 0.00 57.16 57.24 2nef n GLU 201 Cb 1.05 -2.15 -0.13 0.00 -0.06 0.00 0.00 31.44 30.15 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 2nef h TYR 202 N 0.00 0.13 -3.26 4.31 -1.99 -2.00 -3.41 116.97 110.75 2nef h TYR 202 Ca 0.00 -0.09 -0.66 0.00 2.00 0.00 0.00 58.73 59.98 2nef h TYR 202 Cb 0.87 -0.01 -0.16 0.00 2.00 0.00 0.00 36.73 39.43 2nef h TYR 202 CO 0.00 1.03 0.18 -0.06 -0.00 0.00 0.00 178.16 179.31 2nef s PHE 203 N -2.46 2.98 0.00 4.88 0.08 0.44 -5.03 117.98 118.87 2nef s PHE 203 Ca -0.17 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.50 2nef s PHE 203 Cb -0.02 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 2nef s PHE 203 CO 0.72 -1.10 0.00 1.63 -0.10 0.00 0.00 175.22 176.37 2nef n LYS 204 N 6.50 3.17 -0.30 0.44 5.02 -1.26 -4.74 118.16 126.99 2nef n LYS 204 Ca -0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 2nef n LYS 204 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 2nef n LYS 204 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2nef n ASN 205 N 0.00 2.33 0.00 4.39 0.23 -1.26 -5.15 115.26 115.80 2nef n ASN 205 Ca 0.00 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 2nef n ASN 205 Cb 0.00 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33