#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 -1.87 -2.95 115.95 116.21 2nef h TRP 57 Ca 0.00 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.77 2nef h TRP 57 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 2nef h TRP 57 CO 0.00 0.48 -1.04 1.25 -1.28 0.00 0.00 178.44 177.85 2nef h LEU 58 N 0.00 0.00 -3.93 0.11 5.85 -1.95 -3.33 115.31 112.06 2nef h LEU 58 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2nef h LEU 58 Cb 0.91 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2nef h LEU 58 CO 0.06 0.88 -0.15 -0.62 -0.34 0.00 0.00 178.44 178.27 2nef n GLU 59 N -3.25 1.37 0.00 1.25 -0.58 -1.11 -4.38 120.64 113.94 2nef n GLU 59 Ca -0.03 -0.58 0.03 0.00 -0.42 0.00 0.00 57.16 56.16 2nef n GLU 59 Cb 0.91 -1.68 0.16 0.00 -0.57 0.00 0.00 31.44 30.26 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef n ALA 60 N 2.33 2.13 1.64 0.62 0.00 -1.22 -2.63 120.51 123.38 2nef n ALA 60 Ca 0.25 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.73 2nef n ALA 60 Cb 0.64 -1.09 0.45 0.00 0.00 0.00 0.00 19.45 19.45 2nef n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nef n GLN 61 N -0.64 0.82 0.00 0.00 10.64 -1.26 -4.30 117.38 122.63 2nef n GLN 61 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2nef n GLN 61 Cb 0.02 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 2nef n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2nef n GLU 62 N -0.79 0.00 -3.73 2.61 2.13 -1.17 -5.14 120.64 114.55 2nef n GLU 62 Ca 0.11 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.80 2nef n GLU 62 Cb 0.05 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.67 2nef n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2nef s GLU 63 N -0.76 0.66 0.00 5.31 2.12 -1.08 -5.04 118.70 119.92 2nef s GLU 63 Ca 0.00 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2nef s GLU 63 Cb 0.00 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2nef s GLU 63 CO 0.00 -0.17 0.00 -0.85 -0.54 0.00 0.00 175.26 173.70 2nef n GLU 64 N 1.58 3.69 -1.68 4.30 0.00 -1.26 -3.42 120.64 123.85 2nef n GLU 64 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.57 2nef n GLU 64 Cb 0.56 -0.41 0.03 0.00 0.00 0.00 0.00 31.44 31.63 2nef n GLU 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2nef n GLU 65 N -0.21 1.53 -0.99 3.44 0.00 -1.26 -4.63 120.64 118.53 2nef n GLU 65 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 57.16 57.60 2nef n GLU 65 Cb 0.00 -2.34 -0.14 0.00 0.00 0.00 0.00 31.44 28.95 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2nef n VAL 66 N -0.86 2.92 0.00 6.31 0.31 -1.26 -4.87 118.33 120.88 2nef n VAL 66 Ca 0.10 -1.52 0.00 0.00 -0.01 0.00 0.00 64.34 62.91 2nef n VAL 66 Cb 0.43 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 2.25 0.26 3.86 2.92 0.00 -1.26 -4.59 105.19 108.62 2nef n GLY 67 Ca 0.39 0.71 -0.32 0.00 0.00 0.00 0.00 46.02 46.80 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 3.39 -0.31 1.61 0.08 -1.26 -5.00 117.98 116.49 2nef s PHE 68 Ca 0.00 1.09 -0.29 0.00 0.12 0.00 0.00 56.93 57.86 2nef s PHE 68 Cb 0.00 -2.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 2nef s PHE 68 CO 0.00 0.13 1.61 -1.25 -0.10 0.00 0.00 175.22 175.61 2nef s PRO 69 N -3.00 3.58 0.00 0.24 0.04 -1.26 -5.00 135.00 129.59 2nef s PRO 69 Ca 0.52 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2nef s PRO 69 Cb -0.10 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2nef s PRO 69 CO 0.20 -1.56 0.00 1.33 0.04 0.00 0.00 177.00 177.01 2nef n VAL 70 N 6.95 0.00 -3.07 -0.36 0.24 -1.26 -5.02 118.33 115.81 2nef n VAL 70 Ca 0.19 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.10 2nef n VAL 70 Cb 0.47 -1.90 -0.05 0.00 -1.47 0.00 0.00 33.84 30.89 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 -0.08 4.86 0.00 3.34 -4.23 -1.26 -5.07 115.64 113.20 2nef s THR 71 Ca 0.00 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 2nef s THR 71 Cb 0.00 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.80 2nef s THR 71 CO 0.00 0.36 0.00 -0.81 -0.54 0.00 0.00 174.62 173.63 2nef n PRO 72 N 3.00 1.08 -1.49 3.99 -0.04 -1.26 -4.50 135.00 135.78 2nef n PRO 72 Ca -0.04 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 2nef n PRO 72 Cb 0.51 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.48 0.54 3.00 -1.26 -4.75 117.38 112.42 2nef n GLN 73 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 2nef n GLN 73 Cb 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 30.24 28.89 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2nef s VAL 74 N 6.71 4.11 -0.31 5.09 -7.23 -1.26 -4.92 120.40 122.60 2nef s VAL 74 Ca 1.34 0.07 -0.38 0.00 -1.81 0.00 0.00 61.98 61.20 2nef s VAL 74 Cb -1.15 -3.60 -0.17 0.00 0.56 0.00 0.00 36.38 32.02 2nef s VAL 74 CO 0.51 -0.61 1.23 -2.65 -0.31 0.00 0.00 175.10 173.26 2nef n PRO 75 N -2.46 0.00 -1.76 4.82 -0.02 -1.26 -4.69 135.00 129.62 2nef n PRO 75 Ca 0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 2nef n PRO 75 Cb 0.57 -1.26 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 1.84 3.28 -0.22 2.45 1.43 -1.26 -4.93 118.68 121.26 2nef s LEU 76 Ca 0.85 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 54.27 2nef s LEU 76 Cb -1.21 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2nef s LEU 76 CO 0.63 -2.83 0.79 -0.60 0.23 0.00 0.00 176.35 174.57 2nef s ARG 77 N 7.84 4.21 -0.03 1.70 6.06 -1.26 -4.98 118.95 132.49 2nef s ARG 77 Ca 0.84 0.90 -0.40 0.00 -2.50 0.00 0.00 55.73 54.57 2nef s ARG 77 Cb -0.14 -3.62 -0.20 0.00 0.06 0.00 0.00 34.95 31.06 2nef s ARG 77 CO 0.20 -0.42 1.15 -2.30 -2.50 0.00 0.00 175.30 171.42 2nef n PRO 78 N 5.65 0.15 -2.02 5.12 -0.02 -1.26 -4.81 135.00 137.81 2nef n PRO 78 Ca 0.04 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 2nef n PRO 78 Cb 0.48 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.31 4.19 0.07 -0.52 1.75 -1.26 -4.97 119.30 118.86 2nef s MET 79 Ca 0.91 2.18 -0.22 0.00 -1.25 0.00 0.00 55.69 57.31 2nef s MET 79 Cb -1.25 -3.90 -0.06 0.00 2.84 0.00 0.00 34.83 32.46 2nef s MET 79 CO 0.58 -0.81 0.67 0.95 -0.65 0.00 0.00 175.02 175.76 2nef s THR 80 N 3.72 4.70 0.29 10.11 -4.23 -1.26 -4.92 115.64 124.05 2nef s THR 80 Ca 0.72 1.44 0.04 0.00 -1.18 0.00 0.00 61.69 62.71 2nef s THR 80 Cb -0.34 -4.02 0.28 0.00 1.34 0.00 0.00 72.50 69.76 2nef s THR 80 CO 0.29 0.46 1.75 0.10 -0.54 0.00 0.00 174.62 176.69 2nef h TYR 81 N 5.08 0.89 -0.32 3.99 -0.00 -1.93 2.34 116.97 127.02 2nef h TYR 81 Ca -0.46 0.04 -0.03 0.00 0.00 0.00 0.00 58.73 58.28 2nef h TYR 81 Cb 1.21 -0.25 -0.02 0.00 0.00 0.00 0.00 36.73 37.67 2nef h TYR 81 CO 0.66 0.15 0.09 -0.22 -0.00 0.00 0.00 178.16 178.84 2nef h LYS 82 N 0.64 0.46 -0.17 0.10 3.64 -1.91 -1.93 116.57 117.40 2nef h LYS 82 Ca 0.55 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.76 2nef h LYS 82 Cb 0.88 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2nef h LYS 82 CO -0.41 0.42 -0.35 0.00 -2.27 0.00 0.00 179.45 176.84 2nef h ALA 83 N 1.65 1.08 0.00 5.00 0.00 0.35 -1.92 119.26 125.43 2nef h ALA 83 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2nef h ALA 83 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2nef h ALA 83 CO -0.01 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.82 2nef h ALA 84 N 1.33 -0.00 -0.18 0.00 0.00 -0.33 0.38 119.26 120.45 2nef h ALA 84 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2nef h ALA 84 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2nef h ALA 84 CO 0.06 -0.44 0.05 0.28 0.00 0.00 0.00 179.25 179.20 2nef h VAL 85 N -0.13 1.19 -0.26 0.00 2.07 -1.40 0.40 116.25 118.12 2nef h VAL 85 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2nef h VAL 85 Cb 0.13 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2nef h VAL 85 CO 0.00 0.19 0.17 0.44 0.02 0.00 0.00 177.57 178.39 2nef h ASP 86 N 0.12 0.30 -0.95 0.57 5.19 -1.26 -1.78 116.42 118.60 2nef h ASP 86 Ca 0.06 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2nef h ASP 86 Cb 0.24 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 2nef h ASP 86 CO -0.00 0.22 0.58 0.25 -3.12 0.00 0.00 179.24 177.16 2nef h LEU 87 N 0.35 1.14 -0.97 1.55 5.85 -0.02 -1.92 115.31 121.30 2nef h LEU 87 Ca 0.10 -0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.90 2nef h LEU 87 Cb -0.04 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 40.61 2nef h LEU 87 CO -0.02 0.88 0.59 0.77 -0.34 0.00 0.00 178.44 180.31 2nef h SER 88 N 1.31 0.81 0.06 1.25 4.64 0.67 -0.97 113.55 121.32 2nef h SER 88 Ca 0.34 0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.53 2nef h SER 88 Cb -0.06 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2nef h SER 88 CO -0.06 0.37 -0.77 0.45 -0.87 0.00 0.00 176.83 175.94 2nef h HIS 89 N 0.85 0.82 0.16 4.77 3.86 -0.94 -2.21 115.15 122.45 2nef h HIS 89 Ca 0.52 -0.37 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 2nef h HIS 89 Cb 0.66 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 2nef h HIS 89 CO -0.02 1.17 -0.30 0.35 0.86 0.00 0.00 177.93 179.99 2nef h PHE 90 N 0.40 -0.80 0.00 2.45 3.57 -0.60 -0.91 116.94 121.06 2nef h PHE 90 Ca -0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2nef h PHE 90 Cb 1.38 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 2nef h PHE 90 CO 0.07 -0.41 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.49 2nef h LEU 91 N -0.54 0.00 -0.84 0.59 3.38 -1.47 -2.58 115.31 113.85 2nef h LEU 91 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2nef h LEU 91 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2nef h LEU 91 CO -0.15 0.18 0.56 0.50 0.09 0.00 0.00 178.44 179.62 2nef h LYS 92 N 0.00 1.09 0.00 1.13 3.64 -0.53 2.18 116.57 124.09 2nef h LYS 92 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2nef h LYS 92 Cb 0.32 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2nef h LYS 92 CO 0.02 0.72 0.00 0.39 -2.27 0.00 0.00 179.45 178.32 2nef n GLU 93 N -4.51 0.00 0.04 1.90 1.02 -0.87 -3.51 120.64 114.71 2nef n GLU 93 Ca 0.09 0.38 -0.20 0.00 -0.02 0.00 0.00 57.16 57.41 2nef n GLU 93 Cb 0.03 -1.07 -0.14 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.35 0.02 3.49 1.79 -1.60 -3.38 116.57 117.23 2nef h LYS 94 Ca 0.00 -0.52 -0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2nef h LYS 94 Cb 0.00 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2nef h LYS 94 CO 0.00 1.22 -0.01 0.78 -1.08 0.00 0.00 179.45 180.36 2nef h GLY 95 N -0.27 -0.43 -1.73 3.86 0.00 0.58 -3.47 103.07 101.60 2nef h GLY 95 Ca -0.13 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 2nef h GLY 95 CO 0.15 -0.16 -0.09 0.61 0.00 0.00 0.00 176.54 177.05 2nef n GLY 96 N -1.02 0.70 0.21 4.60 0.00 0.66 -4.94 105.19 105.41 2nef n GLY 96 Ca -0.00 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.59 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N -0.32 0.00 -9.80 0.99 5.85 -1.87 -3.43 115.31 106.73 2nef h LEU 97 Ca -0.07 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.09 2nef h LEU 97 Cb 1.04 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.26 2nef h LEU 97 CO 0.07 0.01 -0.13 1.21 -0.34 0.00 0.00 178.44 179.26 2nef n GLU 98 N -3.07 0.44 -0.32 1.25 2.13 -1.26 -1.44 120.64 118.38 2nef n GLU 98 Ca 0.04 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2nef n GLU 98 Cb 0.54 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 1.37 0.00 3.63 8.31 0.00 0.94 -4.86 105.19 114.58 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 3.86 -0.36 0.99 2.96 -0.52 -4.77 118.68 120.84 2nef s LEU 100 Ca 0.00 1.13 -0.27 0.00 -0.22 0.00 0.00 54.13 54.77 2nef s LEU 100 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -1.08 2.21 -0.63 -1.32 0.00 0.00 176.35 175.53 2nef s ILE 101 N 4.34 3.09 -0.43 6.68 -1.09 -1.26 -2.59 121.20 129.95 2nef s ILE 101 Ca 0.55 0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.78 2nef s ILE 101 Cb -0.16 -3.16 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2nef s ILE 101 CO 0.23 -0.13 2.14 -2.28 -1.23 0.00 0.00 174.94 173.67 2nef s HIS 102 N 9.60 1.35 0.00 3.97 5.65 1.05 -4.88 115.29 132.03 2nef s HIS 102 Ca 0.94 1.00 0.00 0.00 0.25 0.00 0.00 55.06 57.26 2nef s HIS 102 Cb -0.24 -3.86 0.00 0.00 -1.18 0.00 0.00 32.58 27.29 2nef s HIS 102 CO 0.31 -2.91 0.44 0.45 -0.65 0.00 0.00 174.74 172.38 2nef n SER 103 N 13.30 0.00 0.00 9.88 2.88 -1.26 -3.29 113.62 135.12 2nef n SER 103 Ca 0.29 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2nef n SER 103 Cb 0.51 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.05 0.00 0.06 -1.46 7.27 -1.26 -4.79 117.38 116.15 2nef n GLN 104 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2nef n GLN 104 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 2nef n GLN 104 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2nef h ARG 105 N 0.00 0.00 -0.42 3.69 9.65 -2.01 -3.31 114.38 121.99 2nef h ARG 105 Ca 0.00 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.00 2nef h ARG 105 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2nef h ARG 105 CO 0.00 0.36 0.42 0.00 2.80 0.00 0.00 179.97 183.56 2nef h ARG 106 N 0.00 0.00 -0.37 0.20 3.08 -1.96 -0.09 114.38 115.24 2nef h ARG 106 Ca -0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2nef h ARG 106 Cb 1.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 2nef h ARG 106 CO 0.05 0.00 0.13 0.37 -1.07 0.00 0.00 179.97 179.45 2nef h GLN 107 N 0.00 0.57 -0.39 0.04 4.15 -1.97 -2.42 115.11 115.09 2nef h GLN 107 Ca 0.20 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 2nef h GLN 107 Cb 1.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 2nef h GLN 107 CO -0.00 0.57 0.24 -0.44 -1.93 0.00 0.00 178.83 177.27 2nef h ASP 108 N 0.45 0.47 -0.84 -0.69 3.32 -1.23 -2.47 116.42 115.41 2nef h ASP 108 Ca 0.12 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2nef h ASP 108 Cb 0.23 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2nef h ASP 108 CO -0.01 0.38 0.56 0.40 -1.72 0.00 0.00 179.24 178.85 2nef h ILE 109 N 0.52 1.20 0.09 0.35 2.04 -1.46 -2.54 117.51 117.71 2nef h ILE 109 Ca 0.14 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2nef h ILE 109 Cb -0.01 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 2nef h ILE 109 CO -0.03 0.20 -0.16 0.25 0.00 0.00 0.00 178.15 178.42 2nef h LEU 110 N 1.12 -0.46 -1.48 1.44 5.85 -0.95 -1.07 115.31 119.77 2nef h LEU 110 Ca 0.32 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.26 2nef h LEU 110 Cb -0.09 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2nef h LEU 110 CO -0.08 -0.18 0.57 0.44 -0.34 0.00 0.00 178.44 178.85 2nef h ASP 111 N -0.26 0.45 0.15 1.25 5.19 -1.48 -2.19 116.42 119.53 2nef h ASP 111 Ca -0.01 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2nef h ASP 111 Cb 0.25 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2nef h ASP 111 CO -0.06 0.20 -0.07 0.25 -3.12 0.00 0.00 179.24 176.44 2nef h LEU 112 N 0.47 -0.17 -0.36 1.55 5.85 -0.96 -2.27 115.31 119.42 2nef h LEU 112 Ca 0.44 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.11 2nef h LEU 112 Cb 1.01 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 2nef h LEU 112 CO -0.17 0.02 -0.07 -0.25 -0.34 0.00 0.00 178.44 177.63 2nef h TRP 113 N -0.35 -0.15 -0.12 1.25 7.01 -0.57 0.73 115.95 123.75 2nef h TRP 113 Ca -0.02 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.04 2nef h TRP 113 Cb 0.28 0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2nef h TRP 113 CO -0.02 -0.14 0.19 0.82 -2.79 0.00 0.00 178.44 176.50 2nef h ILE 114 N 0.02 0.29 0.00 2.65 5.03 -1.39 -3.05 117.51 121.06 2nef h ILE 114 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.91 2nef h ILE 114 Cb 0.26 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 2nef h ILE 114 CO -0.36 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.11 2nef n TYR 115 N -3.49 0.00 0.40 1.37 9.36 0.25 -3.15 117.16 121.90 2nef n TYR 115 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2nef n TYR 115 Cb 0.29 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.55 2nef n TYR 115 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2nef n HIS 116 N -1.86 0.00 0.00 2.98 1.44 -1.12 -2.20 115.22 114.46 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 0.00 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.10 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 -0.24 0.00 1.56 0.61 -2.24 -1.16 -4.54 114.28 108.27 2nef n THR 117 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2nef n THR 117 Cb 0.02 -0.06 0.74 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.71 -2.03 -0.78 3.00 -1.24 -4.83 117.38 112.21 2nef n GLN 118 Ca 0.00 -0.12 -0.05 0.00 -0.01 0.00 0.00 57.00 56.82 2nef n GLN 118 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.74 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 1.21 0.21 3.71 1.08 0.00 -0.94 -4.55 105.19 105.91 2nef n GLY 119 Ca 0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.24 3.36 0.14 1.61 2.02 -1.24 -4.62 117.35 116.39 2nef s TYR 120 Ca 0.00 1.23 -0.30 0.00 -0.37 0.00 0.00 57.07 57.63 2nef s TYR 120 Cb 0.00 -3.46 -0.07 0.00 -0.40 0.00 0.00 41.96 38.03 2nef s TYR 120 CO 0.00 -1.45 1.11 0.12 -1.57 0.00 0.00 175.55 173.76 2nef s PHE 121 N 1.25 3.57 -0.71 2.71 5.36 -1.26 -4.53 117.98 124.38 2nef s PHE 121 Ca 0.59 1.55 -0.27 0.00 -0.96 0.00 0.00 56.93 57.84 2nef s PHE 121 Cb -0.30 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 2nef s PHE 121 CO 0.28 -0.68 1.38 -1.25 -1.46 0.00 0.00 175.22 173.50 2nef s PRO 122 N 0.06 3.10 0.00 10.12 0.04 -1.26 -4.58 135.00 142.48 2nef s PRO 122 Ca 0.51 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.50 2nef s PRO 122 Cb -0.29 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.06 2nef s PRO 122 CO 0.33 -2.24 0.68 -0.40 0.04 0.00 0.00 177.00 175.40 2nef n ASP 123 N 9.97 -0.11 0.00 6.66 5.75 -1.26 -4.88 116.55 132.68 2nef n ASP 123 Ca 0.06 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 2nef n ASP 123 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.02 0.00 -2.39 2.11 4.27 -1.26 -4.97 117.44 115.22 2nef n TRP 124 Ca -0.04 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.15 2nef n TRP 124 Cb 0.58 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.51 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 -1.68 3.39 0.39 -2.67 0.74 -1.26 -4.44 119.66 114.12 2nef s GLN 125 Ca 0.00 0.59 -0.11 0.00 0.05 0.00 0.00 55.36 55.89 2nef s GLN 125 Cb 0.00 -4.09 0.04 0.00 1.10 0.00 0.00 33.01 30.06 2nef s GLN 125 CO 0.00 -1.81 0.70 -0.80 -0.55 0.00 0.00 175.29 172.83 2nef s ASN 126 N 4.22 0.35 0.26 6.67 0.01 -1.26 -5.08 114.94 120.10 2nef s ASN 126 Ca 0.55 -1.31 -0.21 0.00 -0.71 0.00 0.00 52.86 51.18 2nef s ASN 126 Cb -0.11 0.81 0.04 0.00 0.41 0.00 0.00 41.25 42.39 2nef s ASN 126 CO 0.27 -1.61 0.80 -0.31 -1.51 0.00 0.00 177.10 174.74 2nef s TYR 127 N -2.38 -0.12 0.43 2.20 1.51 -1.26 -3.06 117.35 114.68 2nef s TYR 127 Ca 0.20 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.68 2nef s TYR 127 Cb -0.04 0.71 -0.08 0.00 -0.11 0.00 0.00 41.96 42.44 2nef s TYR 127 CO 0.15 -1.18 1.37 0.95 -1.11 0.00 0.00 175.55 175.73 2nef s THR 128 N -3.49 2.32 -0.81 -0.71 -4.23 -1.10 -4.77 115.64 102.86 2nef s THR 128 Ca 0.12 0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 60.67 2nef s THR 128 Cb -0.05 -3.17 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 2nef s THR 128 CO 0.06 0.04 1.69 -2.16 -0.54 0.00 0.00 174.62 173.72 2nef s PRO 129 N -2.37 2.91 0.00 3.99 0.04 -1.26 -4.83 135.00 133.48 2nef s PRO 129 Ca 0.59 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2nef s PRO 129 Cb -0.41 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.38 2nef s PRO 129 CO 0.53 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 175.26 2nef n GLY 130 N 6.23 3.47 0.00 0.56 0.00 -1.26 -5.16 105.19 109.03 2nef n GLY 130 Ca 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.21 1.53 0.00 1.61 -0.04 -1.26 -4.76 135.00 130.87 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 3.20 -1.12 3.55 0.55 0.00 -1.26 -4.47 105.19 105.64 2nef n GLY 132 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 3.20 -0.55 -0.61 -1.09 -1.26 -4.47 121.20 116.42 2nef s ILE 133 Ca 0.00 0.01 -0.28 0.00 -2.23 0.00 0.00 60.65 58.15 2nef s ILE 133 Cb 0.00 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2nef s ILE 133 CO 0.00 -0.47 1.34 -0.13 -1.23 0.00 0.00 174.94 174.44 2nef s ARG 134 N 7.74 3.41 0.34 2.79 0.52 -1.07 -4.99 118.95 127.70 2nef s ARG 134 Ca 0.82 0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 56.30 2nef s ARG 134 Cb -0.13 -4.07 -0.10 0.00 0.52 0.00 0.00 34.95 31.17 2nef s ARG 134 CO 0.17 -1.80 0.82 0.71 0.02 0.00 0.00 175.30 175.22 2nef s TYR 135 N 5.59 3.42 0.03 -0.53 1.51 -1.26 -2.73 117.35 123.38 2nef s TYR 135 Ca 0.50 1.41 -0.30 0.00 -1.01 0.00 0.00 57.07 57.67 2nef s TYR 135 Cb -0.10 -2.68 -0.06 0.00 -0.11 0.00 0.00 41.96 39.02 2nef s TYR 135 CO 0.26 0.08 1.32 -1.25 -1.11 0.00 0.00 175.55 174.85 2nef s PRO 136 N -2.82 4.34 0.04 -1.71 0.04 -1.26 -2.69 135.00 130.94 2nef s PRO 136 Ca 0.55 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2nef s PRO 136 Cb -0.11 -3.44 -0.18 0.00 0.04 0.00 0.00 34.50 30.81 2nef s PRO 136 CO 0.17 -0.44 1.38 -0.07 0.04 0.00 0.00 177.00 178.08 2nef h LEU 137 N 7.59 -0.76-10.16 -3.56 3.38 -1.84 -3.44 115.31 106.52 2nef h LEU 137 Ca -0.39 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.03 2nef h LEU 137 Cb 1.19 0.20 0.15 0.00 0.09 0.00 0.00 40.66 42.28 2nef h LEU 137 CO 0.87 -0.45 0.42 0.42 0.09 0.00 0.00 178.44 179.79 2nef s THR 138 N -5.36 2.39 0.30 0.22 -4.23 -1.26 -4.78 115.64 102.92 2nef s THR 138 Ca -0.16 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 2nef s THR 138 Cb 0.02 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 2nef s THR 138 CO 0.54 -0.09 0.52 0.12 -0.54 0.00 0.00 174.62 175.18 2nef s PHE 139 N -1.87 3.49 0.00 3.99 5.36 -1.26 -4.29 117.98 123.40 2nef s PHE 139 Ca 0.75 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2nef s PHE 139 Cb -0.30 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 2nef s PHE 139 CO 0.42 0.18 0.00 0.41 -1.46 0.00 0.00 175.22 174.77 2nef n GLY 140 N -1.30 2.70 3.55 13.12 0.00 -1.26 -4.81 105.19 117.20 2nef n GLY 140 Ca -0.04 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.15 2.12 0.00 1.61 -0.00 -1.26 -2.92 118.94 117.34 2nef s TRP 141 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 56.10 56.13 2nef s TRP 141 Cb 0.00 -4.42 -0.06 0.00 -0.00 0.00 0.00 33.47 28.99 2nef s TRP 141 CO 0.00 -2.03 2.30 0.00 -0.00 0.00 0.00 176.95 177.22 2nef s TYR 143 N 0.24 2.90 -0.09 0.00 2.02 -1.26 -1.58 117.35 119.58 2nef s TYR 143 Ca 0.14 -1.38 0.02 0.00 -0.37 0.00 0.00 57.07 55.47 2nef s TYR 143 Cb 0.07 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2nef s TYR 143 CO 0.00 -0.70 -0.13 -1.59 -1.57 0.00 0.00 175.55 171.56 2nef s LYS 144 N 1.36 1.92 0.65 -0.62 -2.85 -1.18 -4.24 119.74 114.77 2nef s LYS 144 Ca 0.04 -0.46 -0.11 0.00 -1.00 0.00 0.00 55.97 54.44 2nef s LYS 144 Cb -0.14 -1.65 -0.02 0.00 -2.06 0.00 0.00 37.83 33.96 2nef s LYS 144 CO -0.08 -0.05 1.04 -0.51 0.10 0.00 0.00 175.35 175.86 2nef s LEU 145 N 0.94 3.19 -0.25 2.77 1.43 -1.11 -1.55 118.68 124.09 2nef s LEU 145 Ca -0.09 1.48 -0.13 0.00 -1.03 0.00 0.00 54.13 54.36 2nef s LEU 145 Cb -0.15 -4.47 0.08 0.00 0.03 0.00 0.00 46.19 41.69 2nef s LEU 145 CO 0.00 -1.07 0.60 -0.69 0.23 0.00 0.00 176.35 175.42 2nef s VAL 146 N -3.14 -0.21 -0.42 -1.59 1.01 -1.03 -2.60 120.40 112.41 2nef s VAL 146 Ca 0.56 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 2nef s VAL 146 Cb -0.12 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2nef s VAL 146 CO 0.54 0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.59 2nef s PRO 147 N 1.86 3.82 0.42 2.72 0.04 -1.26 -2.29 135.00 140.31 2nef s PRO 147 Ca -0.09 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 2nef s PRO 147 Cb -0.07 -3.85 -0.07 0.00 0.04 0.00 0.00 34.50 30.55 2nef s PRO 147 CO -0.18 -1.21 0.80 0.08 0.04 0.00 0.00 177.00 176.53 2nef s VAL 148 N 4.13 4.74 0.63 -0.36 1.01 -1.25 -5.03 120.40 124.27 2nef s VAL 148 Ca 0.46 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.99 2nef s VAL 148 Cb -0.09 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2nef s VAL 148 CO 0.26 -0.53 1.14 -1.61 0.00 0.00 0.00 175.10 174.36 2nef s GLU 149 N -3.83 2.89 0.00 2.72 2.02 -1.26 -4.75 118.70 116.49 2nef s GLU 149 Ca 0.52 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.08 2nef s GLU 149 Cb -0.10 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.18 2nef s GLU 149 CO 0.31 -1.21 0.00 -0.35 0.02 0.00 0.00 175.26 174.02 2nef n PRO 150 N -2.03 3.33 -1.61 0.39 -0.04 -1.26 -4.92 135.00 128.86 2nef n PRO 150 Ca 0.12 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 2nef n PRO 150 Cb 0.51 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.00 2nef n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2nef n GLU 151 N 0.00 1.12 -0.07 0.54 1.02 -1.26 -4.94 120.64 117.06 2nef n GLU 151 Ca 0.00 0.42 -0.07 0.00 -0.02 0.00 0.00 57.16 57.49 2nef n GLU 151 Cb 0.00 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.26 2nef n GLU 151 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2nef h LYS 152 N 0.98 0.00 -6.39 3.49 3.64 -2.05 -3.45 116.57 112.78 2nef h LYS 152 Ca -0.47 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.37 2nef h LYS 152 Cb 1.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 2nef h LYS 152 CO 0.53 0.33 0.32 -0.51 -2.27 0.00 0.00 179.45 177.86 2nef s LEU 153 N -8.31 4.40 0.66 5.20 1.43 -1.26 -5.04 118.68 115.77 2nef s LEU 153 Ca -0.12 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 2nef s LEU 153 Cb 0.01 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 2nef s LEU 153 CO 0.27 -0.18 1.05 -1.61 0.23 0.00 0.00 176.35 176.12 2nef s GLU 154 N 0.67 3.19 0.00 1.70 8.01 -1.26 -4.92 118.70 126.09 2nef s GLU 154 Ca 0.48 0.89 0.00 0.00 0.01 0.00 0.00 54.97 56.36 2nef s GLU 154 Cb -0.21 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.58 2nef s GLU 154 CO 0.27 -0.90 0.00 -1.91 0.01 0.00 0.00 175.26 172.73 2nef n GLU 155 N -2.94 0.00 -3.16 1.61 2.13 -1.26 -5.15 120.64 111.87 2nef n GLU 155 Ca 0.07 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.79 2nef n GLU 155 Cb 0.54 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.22 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef n ALA 156 N 0.00 -0.18 -0.36 4.31 0.00 -1.26 -5.16 120.51 117.85 2nef n ALA 156 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.06 2nef n ALA 156 Cb 0.00 0.86 0.29 0.00 0.00 0.00 0.00 19.45 20.60 2nef n ALA 156 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2nef s ASN 157 N -2.42 -1.04 -1.26 0.00 0.01 -1.26 -4.85 114.94 104.12 2nef s ASN 157 Ca 0.19 0.89 -0.13 0.00 -0.71 0.00 0.00 52.86 53.10 2nef s ASN 157 Cb -0.01 -1.27 0.14 0.00 0.41 0.00 0.00 41.25 40.53 2nef s ASN 157 CO 0.14 -5.36 1.66 0.29 -1.51 0.00 0.00 177.10 172.32 2nef n LYS 158 N -5.63 3.37 -0.99 -0.60 5.02 -1.26 -4.78 118.16 113.29 2nef n LYS 158 Ca 0.12 -3.59 -0.21 0.00 -2.02 0.00 0.00 58.31 52.61 2nef n LYS 158 Cb 0.60 -3.10 0.06 0.00 -0.02 0.00 0.00 35.03 32.56 2nef n LYS 158 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2nef n ASP 174 N 5.66 6.34 -2.87 4.39 5.68 -1.26 -4.38 116.55 130.11 2nef n ASP 174 Ca 0.41 -3.24 -0.12 0.00 -0.50 0.00 0.00 54.79 51.34 2nef n ASP 174 Cb 0.41 -0.99 0.04 0.00 -1.14 0.00 0.00 41.12 39.45 2nef n ASP 174 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2nef n ASP 175 N -0.11 -1.56 0.00 -1.12 5.75 -1.26 -5.00 116.55 113.25 2nef n ASP 175 Ca 0.39 -3.40 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 2nef n ASP 175 Cb 0.70 1.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.95 2nef n ASP 175 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2nef n PRO 176 N 0.66 0.00 -0.00 0.11 -0.04 -1.26 -4.45 135.00 130.02 2nef n PRO 176 Ca 0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2nef n PRO 176 Cb 0.66 -0.05 0.62 0.00 -0.04 0.00 0.00 33.50 34.69 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 0.00 1.02 -0.23 0.54 4.71 -1.26 -3.94 120.64 121.48 2nef n GLU 177 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 2nef n GLU 177 Cb 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 2nef n GLU 177 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2nef n ARG 178 N -0.79 0.94 -2.60 3.49 3.00 -1.26 -4.84 116.66 114.59 2nef n ARG 178 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.58 2nef n ARG 178 Cb 0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 32.46 31.49 2nef n ARG 178 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2nef s GLU 179 N 0.08 4.31 0.44 -0.14 2.02 -1.25 -5.03 118.70 119.13 2nef s GLU 179 Ca 0.00 1.46 -0.03 0.00 0.02 0.00 0.00 54.97 56.42 2nef s GLU 179 Cb 0.00 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2nef s GLU 179 CO 0.00 -0.54 0.70 0.08 0.02 0.00 0.00 175.26 175.53 2nef s VAL 180 N 2.82 4.81 0.16 2.63 1.01 -1.26 -5.03 120.40 125.54 2nef s VAL 180 Ca 0.48 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.46 2nef s VAL 180 Cb -0.18 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2nef s VAL 180 CO 0.12 -0.68 -0.18 -0.76 0.00 0.00 0.00 175.10 173.61 2nef s LEU 181 N -4.60 2.68 0.04 3.92 1.43 -1.21 -3.79 118.68 117.15 2nef s LEU 181 Ca 0.45 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 2nef s LEU 181 Cb -0.10 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2nef s LEU 181 CO 0.41 0.14 -0.25 -1.83 0.23 0.00 0.00 176.35 175.05 2nef s GLU 182 N -2.52 1.73 -0.50 1.70 -1.05 -0.97 0.34 118.70 117.43 2nef s GLU 182 Ca 0.21 -1.04 -0.28 0.00 -0.15 0.00 0.00 54.97 53.71 2nef s GLU 182 Cb -0.09 -1.86 0.02 0.00 -0.44 0.00 0.00 34.13 31.76 2nef s GLU 182 CO 0.11 0.48 1.36 -1.58 0.95 0.00 0.00 175.26 176.59 2nef s TRP 183 N -0.77 2.42 -0.60 4.83 0.51 -1.07 -2.48 118.94 121.78 2nef s TRP 183 Ca 0.10 0.57 -0.19 0.00 -2.12 0.00 0.00 56.10 54.47 2nef s TRP 183 Cb -0.10 -4.38 0.11 0.00 -0.81 0.00 0.00 33.47 28.29 2nef s TRP 183 CO 0.02 -1.85 0.71 0.50 -0.51 0.00 0.00 176.95 175.81 2nef s ARG 184 N 5.13 3.06 0.16 4.98 6.06 -0.60 -0.04 118.95 137.70 2nef s ARG 184 Ca 0.54 -1.36 -0.31 0.00 -2.50 0.00 0.00 55.73 52.11 2nef s ARG 184 Cb -0.11 -4.28 -0.08 0.00 0.06 0.00 0.00 34.95 30.53 2nef s ARG 184 CO 0.29 -1.54 1.37 0.12 -2.50 0.00 0.00 175.30 173.03 2nef s PHE 185 N 2.62 3.23 -0.47 5.12 2.19 -1.26 -3.13 117.98 126.27 2nef s PHE 185 Ca 0.12 1.06 0.06 0.00 0.33 0.00 0.00 56.93 58.49 2nef s PHE 185 Cb -0.24 -3.67 0.20 0.00 -1.31 0.00 0.00 43.02 38.01 2nef s PHE 185 CO 0.06 -2.24 0.66 -3.47 1.83 0.00 0.00 175.22 172.06 2nef n ASP 186 N 3.29 -2.24 0.00 6.13 2.03 -0.62 -4.97 116.55 120.17 2nef n ASP 186 Ca 0.09 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.54 2nef n ASP 186 Cb 0.42 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 2nef n ASP 186 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2nef n SER 187 N 2.43 0.00 -0.11 1.67 2.88 -1.26 -1.18 113.62 118.05 2nef n SER 187 Ca 0.19 0.13 0.02 0.00 -1.33 0.00 0.00 58.87 57.87 2nef n SER 187 Cb 0.56 -0.13 0.32 0.00 -0.75 0.00 0.00 64.21 64.20 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2nef h ARG 188 N 0.00 0.77 0.00 -1.46 3.08 -1.93 0.17 114.38 115.01 2nef h ARG 188 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2nef h ARG 188 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2nef h ARG 188 CO 0.00 0.54 0.00 1.28 -1.07 0.00 0.00 179.97 180.72 2nef n LEU 189 N -4.42 0.00 0.00 3.04 4.77 -0.32 -1.60 117.00 118.46 2nef n LEU 189 Ca 0.05 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2nef n LEU 189 Cb 0.07 -0.06 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 2nef n LEU 189 CO 0.36 -0.06 0.90 0.00 -1.33 0.00 0.00 177.39 177.27 2nef n ALA 190 N -1.06 2.30 0.00 -1.18 0.00 0.59 -3.79 120.51 117.37 2nef n ALA 190 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2nef n ALA 190 Cb 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.17 0.00 -0.10 0.00 3.72 -0.63 -4.94 117.46 114.34 2nef n PHE 191 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2nef n PHE 191 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.44 -0.80 -2.69 1.38 8.25 -1.16 -5.06 115.22 114.71 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 0.03 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.64 -1.40 -0.06 4.41 1.44 -1.26 -4.99 115.22 112.72 2nef n HIS 193 Ca 0.00 -1.26 -0.04 0.00 -2.01 0.00 0.00 57.72 54.41 2nef n HIS 193 Cb 0.00 1.35 -0.04 0.00 0.12 0.00 0.00 29.99 31.42 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 2.59 0.00 -1.07 -1.40 2.86 -1.97 -2.75 114.93 113.19 2nef h MET 194 Ca -0.23 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 57.70 2nef h MET 194 Cb 1.17 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.74 2nef h MET 194 CO 0.04 0.31 0.70 0.00 1.06 0.00 0.00 176.91 179.02 2nef h ALA 195 N -0.69 2.36 -0.18 6.32 0.00 -1.91 0.90 119.26 126.06 2nef h ALA 195 Ca -0.00 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2nef h ALA 195 Cb 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2nef h ALA 195 CO -0.00 -0.78 -0.56 -0.09 0.00 0.00 0.00 179.25 177.82 2nef h ARG 196 N 0.33 0.55 0.00 0.00 2.43 -1.86 -2.70 114.38 113.12 2nef h ARG 196 Ca 0.61 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2nef h ARG 196 Cb 1.66 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2nef h ARG 196 CO -0.28 0.96 0.00 1.49 -1.51 0.00 0.00 179.97 180.63 2nef h GLU 197 N 0.42 0.00 0.00 0.20 4.81 0.11 -3.19 114.58 116.93 2nef h GLU 197 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2nef h GLU 197 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2nef h GLU 197 CO 0.10 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.66 2nef n LEU 198 N -3.07 0.35 -3.38 1.64 4.32 -0.12 -4.85 117.00 111.89 2nef n LEU 198 Ca 0.01 0.51 -0.22 0.00 -0.02 0.00 0.00 56.01 56.28 2nef n LEU 198 Cb 0.33 -0.43 -0.09 0.00 -1.62 0.00 0.00 43.42 41.60 2nef n LEU 198 CO 0.28 -0.43 -0.23 -1.00 -1.22 0.00 0.00 177.39 174.79 2nef s HIS 199 N -1.14 0.18 -0.38 -1.77 3.76 -1.15 -4.98 115.29 109.82 2nef s HIS 199 Ca 0.00 -1.28 0.22 0.00 -0.15 0.00 0.00 55.06 53.85 2nef s HIS 199 Cb 0.00 -0.62 0.26 0.00 1.11 0.00 0.00 32.58 33.33 2nef s HIS 199 CO 0.00 -0.91 1.51 -1.00 -0.85 0.00 0.00 174.74 173.49 2nef h PRO 200 N 6.81 0.00 0.00 8.40 0.13 -1.77 -3.28 132.00 142.29 2nef h PRO 200 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2nef h PRO 200 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2nef h PRO 200 CO 0.23 0.07 0.21 -1.91 -0.23 0.00 0.00 178.00 176.38 2nef n GLU 201 N -3.07 0.00 0.11 0.86 2.13 -1.26 0.04 120.64 119.46 2nef n GLU 201 Ca 0.03 0.30 -0.22 0.00 0.66 0.00 0.00 57.16 57.93 2nef n GLU 201 Cb 0.56 -1.73 -0.14 0.00 0.27 0.00 0.00 31.44 30.41 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2nef h TYR 202 N 0.00 0.90 -0.34 4.31 -1.99 -2.00 -3.46 116.97 114.39 2nef h TYR 202 Ca 0.00 -0.61 0.00 0.00 2.00 0.00 0.00 58.73 60.12 2nef h TYR 202 Cb 0.43 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.11 2nef h TYR 202 CO 0.00 1.46 0.00 1.19 -0.00 0.00 0.00 178.16 180.81 2nef n PHE 203 N -3.72 0.00 -3.13 4.88 3.72 0.11 -5.02 117.46 114.30 2nef n PHE 203 Ca -0.14 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.87 2nef n PHE 203 Cb 1.03 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.52 2nef n PHE 203 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2nef s LYS 204 N 2.38 4.31 0.00 -1.08 1.02 -1.26 -5.06 119.74 120.04 2nef s LYS 204 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2nef s LYS 204 Cb 0.00 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2nef s LYS 204 CO 0.00 -0.07 0.00 0.27 -0.92 0.00 0.00 175.35 174.63 2nef n ASN 205 N 4.40 -0.60 0.00 2.83 2.04 -1.26 -4.98 115.26 117.69 2nef n ASN 205 Ca -0.02 -0.51 0.00 0.00 -0.44 0.00 0.00 54.58 53.61 2nef n ASN 205 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82