#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 -0.26 0.10 0.00 7.01 -1.92 -3.30 115.95 117.58 2nef h TRP 57 Ca 0.00 -0.01 -0.26 0.00 2.11 0.00 0.00 58.89 60.73 2nef h TRP 57 Cb 0.00 0.09 0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2nef h TRP 57 CO 0.00 0.10 -1.16 -0.07 -2.79 0.00 0.00 178.44 174.52 2nef h LEU 58 N -0.94 0.47 0.00 0.65 3.38 -2.00 -3.40 115.31 113.47 2nef h LEU 58 Ca -0.03 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2nef h LEU 58 Cb 0.48 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2nef h LEU 58 CO 0.05 1.33 0.00 1.21 0.09 0.00 0.00 178.44 181.11 2nef n GLU 59 N -3.60 0.00 -2.08 1.13 2.13 -1.26 -4.74 120.64 112.22 2nef n GLU 59 Ca -0.08 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.31 2nef n GLU 59 Cb 0.97 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.65 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 -3.38 2.97 0.00 4.31 0.00 -1.25 -4.92 121.76 119.49 2nef s ALA 60 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2nef s ALA 60 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2nef s ALA 60 CO 0.00 -2.47 0.14 1.04 0.00 0.00 0.00 175.76 174.47 2nef n GLN 61 N 8.24 0.00 0.00 0.00 6.02 -1.24 -4.47 117.38 125.93 2nef n GLN 61 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2nef n GLN 61 Cb 0.47 -0.54 0.00 0.00 1.02 0.00 0.00 30.24 31.19 2nef n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2nef n GLU 62 N -0.32 0.38 0.01 -1.09 1.02 -1.26 -4.91 120.64 114.47 2nef n GLU 62 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2nef n GLU 62 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 31.66 2nef n GLU 62 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nef n GLU 63 N 0.00 0.03 -1.34 3.49 4.07 -1.26 -4.68 120.64 120.95 2nef n GLU 63 Ca 0.00 0.01 -0.26 0.00 -0.06 0.00 0.00 57.16 56.85 2nef n GLU 63 Cb 0.00 -1.52 -0.11 0.00 -0.06 0.00 0.00 31.44 29.75 2nef n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2nef n GLU 64 N -1.57 0.39 -1.64 5.31 2.13 -1.26 -4.87 120.64 119.13 2nef n GLU 64 Ca 0.05 -1.65 -0.46 0.00 0.66 0.00 0.00 57.16 55.76 2nef n GLU 64 Cb 0.35 -3.47 -0.03 0.00 0.27 0.00 0.00 31.44 28.55 2nef n GLU 64 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2nef n GLU 65 N 8.04 1.72 -1.21 5.31 0.00 -1.26 -4.64 120.64 128.61 2nef n GLU 65 Ca 0.44 0.61 -0.30 0.00 0.00 0.00 0.00 57.16 57.91 2nef n GLU 65 Cb 0.45 -2.20 -0.08 0.00 0.00 0.00 0.00 31.44 29.61 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 1.67 3.88 0.63 6.31 0.31 -1.26 -4.58 118.33 125.28 2nef n VAL 66 Ca 0.12 -2.22 0.02 0.00 -0.01 0.00 0.00 64.34 62.25 2nef n VAL 66 Cb 0.29 -2.40 0.11 0.00 -0.91 0.00 0.00 33.84 30.93 2nef n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nef n GLY 67 N 3.19 -0.31 2.51 2.92 0.00 -1.26 -3.48 105.19 108.76 2nef n GLY 67 Ca 0.67 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.69 -2.11 -1.61 1.61 3.72 -1.26 -5.14 117.46 111.99 2nef n PHE 68 Ca 0.03 -2.51 -0.01 0.00 -0.05 0.00 0.00 57.45 54.91 2nef n PHE 68 Cb 0.01 0.74 0.01 0.00 -0.94 0.00 0.00 39.48 39.30 2nef n PHE 68 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2nef n PRO 69 N 1.81 0.25 -2.06 -1.08 -0.04 -1.23 -5.08 135.00 127.57 2nef n PRO 69 Ca 0.16 -0.09 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2nef n PRO 69 Cb 0.57 -0.04 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 2nef n PRO 69 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nef s VAL 70 N -0.53 2.61 0.43 0.52 1.01 -1.26 -5.05 120.40 118.13 2nef s VAL 70 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2nef s VAL 70 Cb -0.00 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 2nef s VAL 70 CO 0.02 -0.19 0.84 0.42 0.00 0.00 0.00 175.10 176.18 2nef s THR 71 N -3.35 4.69 0.00 3.92 -4.23 -1.26 -4.94 115.64 110.47 2nef s THR 71 Ca 0.59 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 2nef s THR 71 Cb -0.11 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2nef s THR 71 CO 0.48 -0.54 0.00 -2.65 -0.54 0.00 0.00 174.62 171.37 2nef n PRO 72 N -1.29 2.04 -0.88 3.99 -0.02 -1.26 -4.38 135.00 133.19 2nef n PRO 72 Ca 0.04 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 2nef n PRO 72 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nef n GLN 73 N -0.01 0.00 -2.74 -0.52 6.02 -1.26 -4.87 117.38 114.00 2nef n GLN 73 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2nef n GLN 73 Cb 0.00 -0.79 0.02 0.00 1.02 0.00 0.00 30.24 30.48 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 3.68 4.09 -0.47 5.09 -7.23 -1.26 -4.93 120.40 119.37 2nef s VAL 74 Ca 0.79 -0.20 -0.44 0.00 -1.81 0.00 0.00 61.98 60.32 2nef s VAL 74 Cb -0.67 -3.56 -0.19 0.00 0.56 0.00 0.00 36.38 32.53 2nef s VAL 74 CO 0.30 -0.48 1.53 -2.65 -0.31 0.00 0.00 175.10 173.49 2nef n PRO 75 N -2.27 0.00 -1.66 4.82 -0.02 -1.26 -4.71 135.00 129.90 2nef n PRO 75 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 2nef n PRO 75 Cb 0.57 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 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 2.99 3.29 0.39 2.45 1.43 -1.26 -4.93 118.68 123.04 2nef s LEU 76 Ca 0.99 0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 2nef s LEU 76 Cb -1.40 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 2nef s LEU 76 CO 0.75 -2.96 0.82 -0.13 0.23 0.00 0.00 176.35 175.06 2nef s ARG 77 N 8.13 3.96 -0.10 1.70 0.52 -1.26 -5.01 118.95 126.89 2nef s ARG 77 Ca 0.91 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 56.55 2nef s ARG 77 Cb -0.15 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 2nef s ARG 77 CO 0.21 0.01 1.39 -1.25 0.02 0.00 0.00 175.30 175.68 2nef s PRO 78 N -3.43 4.23 -0.07 3.54 0.04 -1.26 -4.77 135.00 133.29 2nef s PRO 78 Ca 0.55 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2nef s PRO 78 Cb -0.10 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 2nef s PRO 78 CO 0.23 -0.71 1.69 1.41 0.04 0.00 0.00 177.00 179.66 2nef s MET 79 N 3.42 4.11 0.24 4.56 1.75 -1.26 -4.98 119.30 127.14 2nef s MET 79 Ca 0.61 2.17 -0.13 0.00 -1.25 0.00 0.00 55.69 57.09 2nef s MET 79 Cb -0.27 -4.01 -0.08 0.00 2.84 0.00 0.00 34.83 33.31 2nef s MET 79 CO 0.21 -0.93 0.61 0.95 -0.65 0.00 0.00 175.02 175.21 2nef s THR 80 N 4.29 4.82 0.27 10.11 -4.23 -1.26 -4.89 115.64 124.75 2nef s THR 80 Ca 0.75 0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 61.98 2nef s THR 80 Cb -0.33 -3.66 0.25 0.00 1.34 0.00 0.00 72.50 70.10 2nef s THR 80 CO 0.31 -0.02 1.77 0.22 -0.54 0.00 0.00 174.62 176.36 2nef h TYR 81 N 2.74 0.80 -0.06 3.99 3.20 -1.93 2.53 116.97 128.25 2nef h TYR 81 Ca -0.48 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 2nef h TYR 81 Cb 1.18 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2nef h TYR 81 CO 0.62 0.20 -0.03 -0.22 -1.64 0.00 0.00 178.16 177.09 2nef h LYS 82 N 0.65 0.08 -0.72 1.82 3.64 -1.96 -1.69 116.57 118.40 2nef h LYS 82 Ca 0.47 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 2nef h LYS 82 Cb 0.65 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2nef h LYS 82 CO -0.36 0.12 0.21 0.00 -2.27 0.00 0.00 179.45 177.16 2nef h ALA 83 N 1.89 1.01 0.00 5.00 0.00 0.40 -0.40 119.26 127.16 2nef h ALA 83 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2nef h ALA 83 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2nef h ALA 83 CO 0.00 0.66 -0.00 0.00 0.00 0.00 0.00 179.25 179.91 2nef h ALA 84 N 1.15 -0.00 -0.63 0.00 0.00 -0.42 0.38 119.26 119.74 2nef h ALA 84 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2nef h ALA 84 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2nef h ALA 84 CO -0.01 -0.44 0.25 0.28 0.00 0.00 0.00 179.25 179.34 2nef h VAL 85 N -0.13 1.24 -0.58 0.00 2.07 -1.39 0.74 116.25 118.20 2nef h VAL 85 Ca -0.00 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2nef h VAL 85 Cb 0.13 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2nef h VAL 85 CO 0.00 0.29 0.25 0.44 0.02 0.00 0.00 177.57 178.57 2nef h ASP 86 N 0.89 0.78 -0.41 0.57 5.19 -0.86 -2.54 116.42 120.04 2nef h ASP 86 Ca 0.21 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2nef h ASP 86 Cb 0.21 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2nef h ASP 86 CO -0.02 0.72 0.26 0.25 -3.12 0.00 0.00 179.24 177.33 2nef h LEU 87 N 0.79 0.49 -0.72 1.55 5.85 0.32 0.19 115.31 123.78 2nef h LEU 87 Ca 0.20 -0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.01 2nef h LEU 87 Cb 0.17 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 2nef h LEU 87 CO -0.02 0.38 0.25 0.77 -0.34 0.00 0.00 178.44 179.49 2nef h SER 88 N 0.55 0.20 0.32 1.25 4.64 -0.47 -0.53 113.55 119.50 2nef h SER 88 Ca 0.15 0.11 -0.22 0.00 -0.47 0.00 0.00 61.79 61.36 2nef h SER 88 Cb -0.02 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2nef h SER 88 CO -0.03 0.07 -0.91 0.45 -0.87 0.00 0.00 176.83 175.54 2nef h HIS 89 N 0.39 0.61 0.48 4.77 3.86 -1.11 -2.48 115.15 121.66 2nef h HIS 89 Ca 0.39 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2nef h HIS 89 Cb 0.60 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2nef h HIS 89 CO -0.19 1.13 -0.38 0.35 0.86 0.00 0.00 177.93 179.70 2nef h PHE 90 N 0.24 -1.02 0.00 2.45 3.57 0.85 -1.24 116.94 121.79 2nef h PHE 90 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2nef h PHE 90 Cb 1.54 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 40.66 2nef h PHE 90 CO 0.06 -0.55 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.48 2nef h LEU 91 N -0.85 0.00 -0.21 0.59 3.38 -1.27 -2.12 115.31 114.84 2nef h LEU 91 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2nef h LEU 91 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2nef h LEU 91 CO -0.00 0.04 0.12 0.50 0.09 0.00 0.00 178.44 179.19 2nef h LYS 92 N 0.00 0.29 0.03 1.13 3.64 -0.77 0.38 116.57 121.28 2nef h LYS 92 Ca -0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2nef h LYS 92 Cb 0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2nef h LYS 92 CO 0.01 0.26 -0.02 0.93 -2.27 0.00 0.00 179.45 178.36 2nef h GLU 93 N 0.24 -0.04 0.00 1.90 3.07 -0.91 -3.31 114.58 115.52 2nef h GLU 93 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2nef h GLU 93 Cb 0.05 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2nef h GLU 93 CO -0.01 0.48 0.00 1.63 -1.40 0.00 0.00 179.01 179.71 2nef n LYS 94 N -4.85 0.00 -3.14 2.33 4.76 -0.84 -4.61 118.16 111.80 2nef n LYS 94 Ca -0.09 0.16 -0.45 0.00 -2.87 0.00 0.00 58.31 55.06 2nef n LYS 94 Cb 0.27 -0.69 -0.01 0.00 -1.84 0.00 0.00 35.03 32.76 2nef n LYS 94 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2nef s GLY 95 N -1.24 2.50 -0.89 0.72 0.00 0.09 -4.97 107.32 103.53 2nef s GLY 95 Ca 0.00 -3.26 -0.18 0.00 0.00 0.00 0.00 44.72 41.28 2nef s GLY 95 CO 0.00 1.63 2.31 0.61 0.00 0.00 0.00 173.10 177.65 2nef n GLY 96 N 4.23 -0.32 0.12 0.20 0.00 -0.97 -4.18 105.19 104.27 2nef n GLY 96 Ca 0.23 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 16.59 0.00 -9.61 0.99 5.85 -1.85 -3.43 115.31 123.85 2nef h LEU 97 Ca 0.01 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.16 2nef h LEU 97 Cb 1.09 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.30 2nef h LEU 97 CO 1.32 0.66 -0.36 1.21 -0.34 0.00 0.00 178.44 180.93 2nef n GLU 98 N -3.29 0.42 -0.37 1.25 2.13 -1.26 -0.85 120.64 118.67 2nef n GLU 98 Ca 0.01 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2nef n GLU 98 Cb 0.79 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.70 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 3.63 8.31 0.00 -0.68 -4.86 105.19 113.27 2nef n GLY 99 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 -4.81 118.68 121.29 2nef s LEU 100 Ca 0.00 1.24 -0.27 0.00 -0.22 0.00 0.00 54.13 54.88 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 -1.14 2.13 -0.63 -1.32 0.00 0.00 176.35 175.39 2nef s ILE 101 N 4.59 3.16 -0.44 6.68 -1.09 -1.26 -2.68 121.20 130.16 2nef s ILE 101 Ca 0.59 0.14 -0.27 0.00 -2.23 0.00 0.00 60.65 58.88 2nef s ILE 101 Cb -0.18 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2nef s ILE 101 CO 0.25 -0.21 1.89 -2.28 -1.23 0.00 0.00 174.94 173.36 2nef s HIS 102 N 9.09 1.67 0.00 3.97 5.65 0.92 -4.89 115.29 131.69 2nef s HIS 102 Ca 0.91 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.99 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 -2.73 0.00 0.43 -0.65 0.00 0.00 174.74 172.10 2nef n SER 103 N 11.70 0.00 0.17 9.88 7.64 -1.26 -3.37 113.62 138.39 2nef n SER 103 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2nef n SER 103 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nef n GLN 104 N 0.00 0.00 0.19 1.43 6.02 -1.26 -4.79 117.38 118.97 2nef n GLN 104 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2nef n GLN 104 Cb 0.00 0.00 0.29 0.00 1.02 0.00 0.00 30.24 31.55 2nef n GLN 104 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2nef h ARG 105 N 0.00 0.00 -0.22 -1.09 0.11 -2.02 -3.18 114.38 107.98 2nef h ARG 105 Ca 0.00 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.14 2nef h ARG 105 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2nef h ARG 105 CO 0.00 0.00 0.34 0.00 0.10 0.00 0.00 179.97 180.41 2nef h ARG 106 N 0.00 0.00 -0.17 0.08 -0.00 -1.95 -0.38 114.38 111.96 2nef h ARG 106 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 2nef h ARG 106 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.83 2nef h ARG 106 CO 0.00 0.00 0.04 0.37 0.00 0.00 0.00 179.97 180.38 2nef h GLN 107 N 0.00 0.27 0.01 0.04 4.15 -1.93 -2.99 115.11 114.66 2nef h GLN 107 Ca 0.11 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2nef h GLN 107 Cb 0.79 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2nef h GLN 107 CO -0.00 0.43 -0.06 -0.44 -1.93 0.00 0.00 178.83 176.83 2nef h ASP 108 N 0.08 -0.16 -0.69 -0.69 3.32 -1.30 -2.74 116.42 114.24 2nef h ASP 108 Ca 0.05 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.25 2nef h ASP 108 Cb 0.28 0.07 -0.13 0.00 0.22 0.00 0.00 39.33 39.77 2nef h ASP 108 CO 0.00 -0.08 -0.28 0.40 -1.72 0.00 0.00 179.24 177.56 2nef h ILE 109 N -0.10 0.19 -0.04 0.35 1.08 -1.48 0.70 117.51 118.21 2nef h ILE 109 Ca 0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 2nef h ILE 109 Cb 0.13 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 2nef h ILE 109 CO -0.05 0.00 -0.30 0.25 -0.69 0.00 0.00 178.15 177.35 2nef h LEU 110 N -0.08 -0.95 -1.18 1.44 5.85 -1.34 0.64 115.31 119.68 2nef h LEU 110 Ca 0.29 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.24 2nef h LEU 110 Cb 0.55 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2nef h LEU 110 CO -0.74 -0.28 0.59 0.44 -0.34 0.00 0.00 178.44 178.11 2nef h ASP 111 N -0.35 0.79 0.67 1.25 3.32 -1.14 -0.83 116.42 120.13 2nef h ASP 111 Ca 0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2nef h ASP 111 Cb 0.39 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2nef h ASP 111 CO -0.22 0.44 -0.32 0.25 -1.72 0.00 0.00 179.24 177.66 2nef h LEU 112 N 0.86 -0.76 -0.71 1.55 5.85 0.19 -0.03 115.31 122.26 2nef h LEU 112 Ca 0.44 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.29 2nef h LEU 112 Cb 0.51 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 2nef h LEU 112 CO -0.20 -0.44 0.23 -0.25 -0.34 0.00 0.00 178.44 177.43 2nef h TRP 113 N -1.06 0.38 -0.62 1.25 7.01 0.62 0.50 115.95 124.03 2nef h TRP 113 Ca -0.09 0.04 0.03 0.00 2.11 0.00 0.00 58.89 60.98 2nef h TRP 113 Cb 0.72 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 2nef h TRP 113 CO -0.00 0.01 0.41 0.82 -2.79 0.00 0.00 178.44 176.88 2nef h ILE 114 N 0.36 1.08 0.47 2.65 1.08 -0.94 -2.33 117.51 119.87 2nef h ILE 114 Ca 0.39 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2nef h ILE 114 Cb 0.59 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 2nef h ILE 114 CO -0.42 0.13 -0.23 0.22 -0.69 0.00 0.00 178.15 177.17 2nef h TYR 115 N 0.73 -0.58 0.00 1.37 3.20 0.19 -2.92 116.97 118.96 2nef h TYR 115 Ca 0.25 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2nef h TYR 115 Cb 0.08 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2nef h TYR 115 CO -0.00 -0.36 0.00 0.72 -1.64 0.00 0.00 178.16 176.88 2nef n HIS 116 N -4.42 0.00 0.00 -3.82 8.25 -0.61 -1.71 115.22 112.91 2nef n HIS 116 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2nef n HIS 116 Cb 0.25 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.09 0.00 1.10 1.59 -2.24 -0.89 -4.48 114.28 108.28 2nef n THR 117 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 2nef n THR 117 Cb 0.00 -0.14 0.59 0.00 -2.10 0.00 0.00 70.33 68.69 2nef n THR 117 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2nef n GLN 118 N 0.00 0.12 -2.36 -0.78 0.00 -1.17 -4.73 117.38 108.45 2nef n GLN 118 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.00 56.91 2nef n GLN 118 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 28.75 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 1.45 0.20 3.73 1.69 0.00 -0.69 -4.60 105.19 106.96 2nef n GLY 119 Ca 0.09 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.59 3.42 0.17 1.61 2.02 -1.25 -4.60 117.35 116.14 2nef s TYR 120 Ca 0.06 1.38 -0.30 0.00 -0.37 0.00 0.00 57.07 57.84 2nef s TYR 120 Cb -0.03 -3.44 -0.08 0.00 -0.40 0.00 0.00 41.96 38.02 2nef s TYR 120 CO 0.08 -1.27 1.20 0.12 -1.57 0.00 0.00 175.55 174.11 2nef s PHE 121 N 0.23 3.43 -0.75 2.71 2.19 -1.26 -4.60 117.98 119.92 2nef s PHE 121 Ca 0.55 1.41 -0.26 0.00 0.33 0.00 0.00 56.93 58.95 2nef s PHE 121 Cb -0.32 -3.43 0.02 0.00 -1.31 0.00 0.00 43.02 37.98 2nef s PHE 121 CO 0.35 -1.22 1.39 -1.25 1.83 0.00 0.00 175.22 176.32 2nef s PRO 122 N -0.10 3.14 0.00 10.12 0.04 -1.26 -4.57 135.00 142.37 2nef s PRO 122 Ca 0.53 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2nef s PRO 122 Cb -0.32 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2nef s PRO 122 CO 0.36 -2.26 0.53 -0.40 0.04 0.00 0.00 177.00 175.27 2nef n ASP 123 N 9.90 0.00 -0.00 6.66 5.75 -1.26 -4.88 116.55 132.71 2nef n ASP 123 Ca 0.09 -1.19 0.03 0.00 -0.01 0.00 0.00 54.79 53.71 2nef n ASP 123 Cb 0.50 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.00 0.00 -2.34 2.11 4.27 -1.26 -4.93 117.44 115.29 2nef n TRP 124 Ca 0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2nef n TRP 124 Cb 0.54 -0.15 -0.03 0.00 -1.36 0.00 0.00 31.31 30.31 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -2.43 3.33 0.17 -2.67 -2.07 -1.26 -4.64 119.66 110.09 2nef s GLN 125 Ca -0.02 0.63 -0.10 0.00 -1.82 0.00 0.00 55.36 54.04 2nef s GLN 125 Cb 0.04 -4.12 -0.00 0.00 -1.09 0.00 0.00 33.01 27.84 2nef s GLN 125 CO 0.27 -1.89 0.32 -0.80 -1.32 0.00 0.00 175.29 171.87 2nef s ASN 126 N 4.60 -0.01 0.28 12.60 0.01 -1.26 -5.09 114.94 126.06 2nef s ASN 126 Ca 0.57 -0.79 -0.20 0.00 -0.71 0.00 0.00 52.86 51.73 2nef s ASN 126 Cb -0.12 0.46 0.04 0.00 0.41 0.00 0.00 41.25 42.04 2nef s ASN 126 CO 0.27 -0.91 0.82 -0.31 -1.51 0.00 0.00 177.10 175.45 2nef s TYR 127 N -3.94 -0.06 0.45 2.20 1.51 -1.26 -2.82 117.35 113.43 2nef s TYR 127 Ca 0.15 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.54 2nef s TYR 127 Cb 0.03 0.74 -0.08 0.00 -0.11 0.00 0.00 41.96 42.54 2nef s TYR 127 CO -0.01 -1.23 1.31 0.95 -1.11 0.00 0.00 175.55 175.46 2nef s THR 128 N -3.15 2.50 -0.64 -0.71 -4.23 -1.12 -4.77 115.64 103.52 2nef s THR 128 Ca 0.14 0.42 -0.27 0.00 -1.18 0.00 0.00 61.69 60.79 2nef s THR 128 Cb -0.05 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.60 2nef s THR 128 CO 0.07 0.04 1.19 -2.16 -0.54 0.00 0.00 174.62 173.22 2nef s PRO 129 N -2.50 3.37 0.00 3.99 0.04 -1.26 -4.91 135.00 133.72 2nef s PRO 129 Ca 0.62 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2nef s PRO 129 Cb -0.38 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2nef s PRO 129 CO 0.47 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2nef n GLY 130 N 5.19 2.61 0.00 0.56 0.00 -1.26 -5.16 105.19 107.13 2nef n GLY 130 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.93 -0.40 0.00 1.61 -0.04 -1.26 -4.92 135.00 129.05 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 3.65 -0.79 3.14 0.55 0.00 -1.26 -4.79 105.19 105.69 2nef n GLY 132 Ca 0.00 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.89 0.00 -3.25 -0.61 5.41 -1.26 -4.86 119.36 113.90 2nef n ILE 133 Ca 0.00 -0.17 -0.03 0.00 1.00 0.00 0.00 62.75 63.55 2nef n ILE 133 Cb 0.00 -0.30 -0.04 0.00 -0.71 0.00 0.00 39.64 38.59 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nef s ARG 134 N -2.72 0.46 0.30 0.38 1.81 -1.18 -4.97 118.95 113.02 2nef s ARG 134 Ca 0.46 0.66 -0.14 0.00 -1.72 0.00 0.00 55.73 55.00 2nef s ARG 134 Cb -0.02 0.01 -0.09 0.00 -0.45 0.00 0.00 34.95 34.40 2nef s ARG 134 CO 0.67 -0.72 0.69 0.71 -0.68 0.00 0.00 175.30 175.96 2nef s TYR 135 N 2.69 3.39 -0.08 -0.53 1.51 -1.26 -2.87 117.35 120.20 2nef s TYR 135 Ca 0.15 1.14 -0.30 0.00 -1.01 0.00 0.00 57.07 57.05 2nef s TYR 135 Cb -0.14 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.21 2nef s TYR 135 CO -0.21 0.14 1.14 -1.25 -1.11 0.00 0.00 175.55 174.27 2nef s PRO 136 N -2.91 4.36 0.07 -1.71 0.04 -1.26 -2.81 135.00 130.78 2nef s PRO 136 Ca 0.52 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 2nef s PRO 136 Cb -0.11 -3.57 -0.14 0.00 0.04 0.00 0.00 34.50 30.73 2nef s PRO 136 CO 0.18 -0.43 1.61 -0.07 0.04 0.00 0.00 177.00 178.33 2nef h LEU 137 N 8.28 0.10-10.16 -3.56 3.38 -1.82 -3.43 115.31 108.09 2nef h LEU 137 Ca -0.32 -0.15 -0.52 0.00 0.09 0.00 0.00 57.88 56.98 2nef h LEU 137 Cb 1.15 -0.03 0.12 0.00 0.09 0.00 0.00 40.66 41.99 2nef h LEU 137 CO 0.88 0.22 0.40 0.42 0.09 0.00 0.00 178.44 180.46 2nef s THR 138 N -5.59 2.81 0.30 0.22 -4.23 -1.26 -5.01 115.64 102.88 2nef s THR 138 Ca -0.14 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.84 2nef s THR 138 Cb 0.06 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2nef s THR 138 CO 0.68 -0.19 0.44 0.12 -0.54 0.00 0.00 174.62 175.13 2nef s PHE 139 N -2.03 3.32 0.00 3.99 5.36 -1.26 -4.45 117.98 122.91 2nef s PHE 139 Ca 0.72 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 2nef s PHE 139 Cb -0.25 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 2nef s PHE 139 CO 0.40 0.19 0.00 0.41 -1.46 0.00 0.00 175.22 174.76 2nef n GLY 140 N -1.57 2.84 3.55 13.12 0.00 -1.26 -4.96 105.19 116.90 2nef n GLY 140 Ca -0.05 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -0.88 2.16 0.00 1.61 -0.00 -1.26 -3.19 118.94 117.39 2nef s TRP 141 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 56.10 56.09 2nef s TRP 141 Cb 0.00 -4.47 -0.06 0.00 -0.00 0.00 0.00 33.47 28.93 2nef s TRP 141 CO 0.00 -2.05 2.19 0.00 -0.00 0.00 0.00 176.95 177.09 2nef s TYR 143 N 0.47 2.06 -0.05 0.00 2.02 -1.26 -0.98 117.35 119.61 2nef s TYR 143 Ca 0.16 -1.08 0.02 0.00 -0.37 0.00 0.00 57.07 55.80 2nef s TYR 143 Cb 0.08 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.13 2nef s TYR 143 CO 0.00 -0.58 -0.11 -1.59 -1.57 0.00 0.00 175.55 171.70 2nef s LYS 144 N 1.28 1.43 0.56 -0.62 -2.85 -1.15 -4.45 119.74 113.94 2nef s LYS 144 Ca 0.00 -0.37 -0.15 0.00 -1.00 0.00 0.00 55.97 54.44 2nef s LYS 144 Cb -0.14 -1.24 -0.06 0.00 -2.06 0.00 0.00 37.83 34.34 2nef s LYS 144 CO -0.07 0.06 1.01 -0.51 0.10 0.00 0.00 175.35 175.94 2nef s LEU 145 N 0.52 3.53 -0.28 2.77 1.43 -1.14 -1.02 118.68 124.49 2nef s LEU 145 Ca -0.11 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 2nef s LEU 145 Cb -0.14 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.66 2nef s LEU 145 CO 0.02 -0.82 0.67 -0.69 0.23 0.00 0.00 176.35 175.76 2nef s VAL 146 N -2.65 -0.17 0.21 -1.59 1.01 -1.04 -3.13 120.40 113.04 2nef s VAL 146 Ca 0.60 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2nef s VAL 146 Cb -0.12 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 2nef s VAL 146 CO 0.36 0.00 1.01 -2.16 0.00 0.00 0.00 175.10 174.32 2nef s PRO 147 N 1.84 4.72 0.00 2.72 0.04 -1.26 -3.10 135.00 139.96 2nef s PRO 147 Ca -0.09 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2nef s PRO 147 Cb -0.06 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2nef s PRO 147 CO -0.20 0.29 0.00 0.28 0.04 0.00 0.00 177.00 177.42 2nef n VAL 148 N 1.90 0.00 -2.19 -0.36 0.31 -1.26 -4.99 118.33 111.75 2nef n VAL 148 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 2nef n VAL 148 Cb 0.47 0.00 0.00 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 0.63 3.33 0.00 5.55 0.41 -1.26 -5.05 118.70 122.31 2nef s GLU 149 Ca 0.00 1.46 0.00 0.00 -0.41 0.00 0.00 54.97 56.02 2nef s GLU 149 Cb 0.00 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2nef s GLU 149 CO 0.00 -0.84 0.00 -0.35 -0.49 0.00 0.00 175.26 173.58 2nef n PRO 150 N -1.55 0.91 -1.67 0.39 -0.04 -1.26 -4.86 135.00 126.92 2nef n PRO 150 Ca 0.10 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 2nef n PRO 150 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 2nef n PRO 150 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2nef n GLU 151 N -0.07 2.69 0.00 0.54 2.13 -1.26 -4.91 120.64 119.75 2nef n GLU 151 Ca 0.00 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.80 2nef n GLU 151 Cb 0.00 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 28.80 2nef n GLU 151 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2nef n LYS 152 N 7.23 0.00 -0.22 5.31 0.00 -1.26 -5.05 118.16 124.16 2nef n LYS 152 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2nef n LYS 152 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.41 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2nef n LEU 153 N 0.00 0.00 -3.25 -5.58 4.32 -1.26 -5.11 117.00 106.12 2nef n LEU 153 Ca 0.00 -0.02 0.03 0.00 -0.02 0.00 0.00 56.01 56.00 2nef n LEU 153 Cb 0.00 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 41.77 2nef n LEU 153 CO 0.00 -0.51 0.31 -0.70 -1.22 0.00 0.00 177.39 175.27 2nef s GLU 154 N -2.83 0.46 0.00 3.23 2.12 -1.26 -5.02 118.70 115.40 2nef s GLU 154 Ca 0.01 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.25 2nef s GLU 154 Cb -0.00 0.52 0.00 0.00 0.26 0.00 0.00 34.13 34.91 2nef s GLU 154 CO 0.01 -0.41 0.00 -1.91 -0.54 0.00 0.00 175.26 172.40 2nef n GLU 155 N 5.40 0.00 0.00 4.30 4.07 -1.26 -5.13 120.64 128.01 2nef n GLU 155 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 2nef n GLU 155 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nef n ALA 156 N -1.19 0.00 -2.70 4.31 0.00 -1.26 -5.06 120.51 114.62 2nef n ALA 156 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 156 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 2nef n ALA 156 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2nef n ASN 157 N 0.00 -1.82 -3.28 0.00 4.05 -1.26 -5.16 115.26 107.79 2nef n ASN 157 Ca 0.00 -2.51 -0.23 0.00 0.45 0.00 0.00 54.58 52.29 2nef n ASN 157 Cb 0.00 1.33 0.20 0.00 1.23 0.00 0.00 39.78 42.53 2nef n ASN 157 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2nef n LYS 158 N 1.00 -2.94 -1.01 1.20 5.02 -1.26 -4.88 118.16 115.28 2nef n LYS 158 Ca 0.02 -1.29 -0.22 0.00 -2.02 0.00 0.00 58.31 54.80 2nef n LYS 158 Cb 0.70 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 34.49 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 -4.57 6.59 -3.63 4.39 5.75 -1.26 -4.87 116.55 118.95 2nef n ASP 174 Ca 0.11 -3.28 -0.14 0.00 -0.01 0.00 0.00 54.79 51.48 2nef n ASP 174 Cb 0.45 -1.01 -0.06 0.00 -1.03 0.00 0.00 41.12 39.47 2nef n ASP 174 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2nef s ASP 175 N -0.47 -0.36 0.22 -1.12 -4.77 -1.26 -5.15 116.67 103.77 2nef s ASP 175 Ca 0.41 0.12 -0.30 0.00 -3.30 0.00 0.00 52.55 49.49 2nef s ASP 175 Cb 0.33 0.45 -0.09 0.00 -1.09 0.00 0.00 42.92 42.52 2nef s ASP 175 CO 0.00 -0.66 1.12 -2.16 0.70 0.00 0.00 175.17 174.18 2nef s PRO 176 N -2.27 4.59 -0.01 2.11 0.04 -1.26 -4.91 135.00 133.29 2nef s PRO 176 Ca -0.06 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2nef s PRO 176 Cb -0.01 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2nef s PRO 176 CO -0.01 0.09 1.44 0.39 0.04 0.00 0.00 177.00 178.96 2nef n GLU 177 N 1.91 1.03 -1.81 4.56 4.71 -1.26 -4.88 120.64 124.89 2nef n GLU 177 Ca 0.01 -0.05 -0.31 0.00 -0.01 0.00 0.00 57.16 56.80 2nef n GLU 177 Cb 0.45 -1.02 0.02 0.00 -1.01 0.00 0.00 31.44 29.88 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2nef s ARG 178 N -0.06 3.41 -0.34 3.49 3.52 -1.26 -4.75 118.95 122.96 2nef s ARG 178 Ca 0.01 0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 56.15 2nef s ARG 178 Cb 0.01 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2nef s ARG 178 CO 0.00 -0.72 1.38 -1.83 -0.81 0.00 0.00 175.30 173.32 2nef s GLU 179 N -5.05 3.76 0.65 5.12 1.03 -1.26 -5.00 118.70 117.94 2nef s GLU 179 Ca 0.56 1.16 -0.03 0.00 0.03 0.00 0.00 54.97 56.69 2nef s GLU 179 Cb -0.12 -3.95 0.06 0.00 -0.80 0.00 0.00 34.13 29.31 2nef s GLU 179 CO 0.53 -1.32 0.93 0.08 -1.33 0.00 0.00 175.26 174.14 2nef s VAL 180 N 4.89 2.41 0.02 1.83 1.01 -1.26 -5.02 120.40 124.27 2nef s VAL 180 Ca 0.60 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2nef s VAL 180 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2nef s VAL 180 CO 0.27 0.00 -0.16 -0.76 0.00 0.00 0.00 175.10 174.46 2nef s LEU 181 N -5.06 2.71 0.07 3.92 1.43 -1.22 -4.25 118.68 116.28 2nef s LEU 181 Ca 0.60 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2nef s LEU 181 Cb -0.10 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2nef s LEU 181 CO 0.42 0.28 -0.25 -1.83 0.23 0.00 0.00 176.35 175.21 2nef s GLU 182 N -1.29 1.74 -0.33 1.70 -1.05 -1.18 0.31 118.70 118.61 2nef s GLU 182 Ca 0.14 -1.16 -0.29 0.00 -0.15 0.00 0.00 54.97 53.52 2nef s GLU 182 Cb -0.11 -2.00 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 2nef s GLU 182 CO 0.05 0.50 1.36 -1.58 0.95 0.00 0.00 175.26 176.53 2nef s TRP 183 N -0.92 2.56 -0.56 4.83 0.51 -1.09 -2.49 118.94 121.77 2nef s TRP 183 Ca 0.13 0.79 -0.20 0.00 -2.12 0.00 0.00 56.10 54.70 2nef s TRP 183 Cb -0.10 -4.03 0.08 0.00 -0.81 0.00 0.00 33.47 28.61 2nef s TRP 183 CO 0.04 -1.88 0.72 0.50 -0.51 0.00 0.00 176.95 175.82 2nef s ARG 184 N 4.42 3.10 0.28 4.98 3.52 -0.19 -1.68 118.95 133.38 2nef s ARG 184 Ca 0.59 -1.04 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 2nef s ARG 184 Cb -0.16 -4.18 -0.10 0.00 -1.56 0.00 0.00 34.95 28.94 2nef s ARG 184 CO 0.26 -1.45 1.36 0.12 -0.81 0.00 0.00 175.30 174.79 2nef s PHE 185 N 2.90 3.05 -0.46 5.12 2.19 -1.26 -2.93 117.98 126.59 2nef s PHE 185 Ca 0.15 1.23 0.07 0.00 0.33 0.00 0.00 56.93 58.70 2nef s PHE 185 Cb -0.21 -3.73 0.25 0.00 -1.31 0.00 0.00 43.02 38.01 2nef s PHE 185 CO 0.10 -2.21 0.81 -3.47 1.83 0.00 0.00 175.22 172.27 2nef n ASP 186 N 1.65 -2.11 0.00 6.13 2.03 -0.15 -4.96 116.55 119.13 2nef n ASP 186 Ca 0.04 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.17 2nef n ASP 186 Cb 0.41 1.23 0.00 0.00 -0.72 0.00 0.00 41.12 42.04 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 1.53 0.00 -0.14 1.67 2.88 -1.26 -0.87 113.62 117.43 2nef n SER 187 Ca 0.12 0.18 -0.02 0.00 -1.33 0.00 0.00 58.87 57.82 2nef n SER 187 Cb 0.61 -0.18 0.21 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.84 0.00 -1.46 3.08 -1.93 -0.14 114.38 114.77 2nef h ARG 188 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2nef h ARG 188 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2nef h ARG 188 CO 0.00 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 2nef n LEU 189 N -4.31 0.00 0.00 3.04 4.77 -0.04 -1.57 117.00 118.89 2nef n LEU 189 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 2nef n LEU 189 Cb 0.18 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.81 2nef n LEU 189 CO 0.39 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.29 2nef n ALA 190 N -0.93 2.11 0.00 -1.18 0.00 -0.07 -4.04 120.51 116.40 2nef n ALA 190 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2nef n ALA 190 Cb 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -1.28 0.00 -0.48 0.00 1.16 -0.61 -4.98 117.46 111.27 2nef n PHE 191 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 2nef n PHE 191 Cb 0.17 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 2nef n PHE 191 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2nef n HIS 192 N -1.49 -2.46 -2.71 2.97 -0.00 -1.10 -5.05 115.22 105.37 2nef n HIS 192 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 2nef n HIS 192 Cb 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 29.97 2nef n HIS 192 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2nef n HIS 193 N -1.72 -2.33 -0.27 1.57 -0.00 -1.26 -4.84 115.22 106.37 2nef n HIS 193 Ca 0.00 -1.82 0.06 0.00 0.46 0.00 0.00 57.72 56.42 2nef n HIS 193 Cb 0.00 1.54 0.20 0.00 -0.12 0.00 0.00 29.99 31.61 2nef n HIS 193 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2nef h MET 194 N 2.80 0.51 -0.86 1.57 2.86 -1.96 0.19 114.93 120.04 2nef h MET 194 Ca -0.15 -0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.64 2nef h MET 194 Cb 1.13 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.56 2nef h MET 194 CO 0.10 0.33 0.38 0.00 1.06 0.00 0.00 176.91 178.79 2nef h ALA 195 N 1.55 1.32 0.00 6.32 0.00 -1.92 0.62 119.26 127.14 2nef h ALA 195 Ca 0.43 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.38 2nef h ALA 195 Cb 0.64 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2nef h ALA 195 CO -0.38 -0.25 -0.44 -0.09 0.00 0.00 0.00 179.25 178.09 2nef h ARG 196 N 0.47 0.00 -0.29 0.00 2.43 -1.09 0.21 114.38 116.12 2nef h ARG 196 Ca 0.50 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.55 2nef h ARG 196 Cb 0.86 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 2nef h ARG 196 CO -0.46 0.44 -0.32 1.49 -1.51 0.00 0.00 179.97 179.61 2nef h GLU 197 N 0.00 0.62 0.03 0.20 4.22 0.73 -3.32 114.58 117.05 2nef h GLU 197 Ca -0.00 -0.28 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 2nef h GLU 197 Cb 0.89 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2nef h GLU 197 CO 0.06 0.86 -0.01 -0.07 -2.18 0.00 0.00 179.01 177.67 2nef h LEU 198 N 0.53 -0.03 -7.56 1.64 4.07 -0.65 -3.49 115.31 109.82 2nef h LEU 198 Ca 0.06 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 2nef h LEU 198 Cb 0.81 0.01 -0.17 0.00 1.08 0.00 0.00 40.66 42.40 2nef h LEU 198 CO 0.07 0.22 -0.24 -1.00 -1.08 0.00 0.00 178.44 176.41 2nef s HIS 199 N -1.44 -0.10 0.00 1.13 3.76 0.03 -5.11 115.29 113.56 2nef s HIS 199 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 2nef s HIS 199 Cb 0.00 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.79 2nef s HIS 199 CO 0.01 -0.52 0.00 -2.30 -0.85 0.00 0.00 174.74 171.09 2nef n PRO 200 N 0.51 0.00 0.00 8.40 -0.02 -1.26 -3.87 135.00 138.76 2nef n PRO 200 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2nef n PRO 200 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 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 0.00 0.00 -1.56 -0.52 2.13 -1.26 -4.58 120.64 114.85 2nef n GLU 201 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2nef n GLU 201 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 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 -0.60 1.88 -1.25 4.31 4.02 -1.26 -4.79 117.16 119.47 2nef n TYR 202 Ca 0.00 -2.44 -0.35 0.00 -0.01 0.00 0.00 57.90 55.09 2nef n TYR 202 Cb 0.00 -1.82 -0.05 0.00 -0.02 0.00 0.00 39.34 37.45 2nef n TYR 202 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2nef n PHE 203 N 2.03 2.10 -0.26 -0.72 1.16 -1.26 -4.67 117.46 115.83 2nef n PHE 203 Ca 0.59 -2.87 0.07 0.00 -1.87 0.00 0.00 57.45 53.37 2nef n PHE 203 Cb 0.43 -2.36 0.20 0.00 -1.61 0.00 0.00 39.48 36.13 2nef n PHE 203 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 2nef h LYS 204 N 4.81 0.18 -6.93 3.97 1.79 -2.03 -3.39 116.57 114.97 2nef h LYS 204 Ca 0.79 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 58.72 2nef h LYS 204 Cb 0.42 -0.04 0.08 0.00 -1.58 0.00 0.00 32.23 31.11 2nef h LYS 204 CO 1.59 0.12 0.63 1.21 -1.08 0.00 0.00 179.45 181.93 2nef s ASN 205 N -5.19 6.40 0.00 0.86 3.04 -1.26 -5.19 114.94 113.60 2nef s ASN 205 Ca -0.13 2.70 0.00 0.00 0.04 0.00 0.00 52.86 55.47 2nef s ASN 205 Cb 0.23 -2.64 0.00 0.00 -1.54 0.00 0.00 41.25 37.29 2nef s ASN 205 CO 0.76 -0.80 0.00 0.00 -3.04 0.00 0.00 177.10 174.02