#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 -0.08 0.00 -0.00 -1.26 -4.43 117.44 111.67 2nef n TRP 57 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.35 2nef n TRP 57 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.19 2nef n TRP 57 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2nef h LEU 58 N 0.00 0.00 -7.91 5.87 6.46 -1.98 -3.39 115.31 114.36 2nef h LEU 58 Ca 0.00 -0.78 -0.58 0.00 -0.12 0.00 0.00 57.88 56.40 2nef h LEU 58 Cb 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 39.86 2nef h LEU 58 CO 0.00 1.11 1.87 -1.61 -0.62 0.00 0.00 178.44 179.19 2nef s GLU 59 N -2.23 3.58 -1.06 1.25 8.01 -1.26 -4.86 118.70 122.13 2nef s GLU 59 Ca -0.21 -1.73 -0.16 0.00 0.01 0.00 0.00 54.97 52.88 2nef s GLU 59 Cb -0.00 -5.45 -0.08 0.00 -4.31 0.00 0.00 34.13 24.29 2nef s GLU 59 CO 0.61 -2.70 2.12 0.00 0.01 0.00 0.00 175.26 175.30 2nef n ALA 60 N 9.97 4.50 -0.09 5.21 0.00 -1.26 -4.47 120.51 134.37 2nef n ALA 60 Ca 0.47 -3.33 -0.17 0.00 0.00 0.00 0.00 53.44 50.41 2nef n ALA 60 Cb 0.46 -3.50 -0.10 0.00 0.00 0.00 0.00 19.45 16.31 2nef n ALA 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2nef h GLN 61 N 6.89 0.00 0.00 0.00 3.07 -1.91 -3.51 115.11 119.65 2nef h GLN 61 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 2nef h GLN 61 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2nef h GLN 61 CO 1.86 0.81 0.00 -1.91 0.09 0.00 0.00 178.83 179.68 2nef n GLU 62 N -4.50 0.00 -2.87 0.06 4.07 -1.26 -5.06 120.64 111.08 2nef n GLU 62 Ca -0.24 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.74 2nef n GLU 62 Cb 0.56 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.95 2nef n GLU 62 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2nef n GLU 63 N 0.00 1.07 -0.54 5.31 1.02 -1.26 -4.66 120.64 121.59 2nef n GLU 63 Ca 0.00 -3.20 -0.25 0.00 -0.02 0.00 0.00 57.16 53.69 2nef n GLU 63 Cb 0.00 -1.36 0.23 0.00 -0.02 0.00 0.00 31.44 30.29 2nef n GLU 63 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nef n GLU 64 N 0.06 -3.61 -1.52 3.49 4.07 -1.26 -4.75 120.64 117.13 2nef n GLU 64 Ca 0.15 -1.35 -0.45 0.00 -0.06 0.00 0.00 57.16 55.45 2nef n GLU 64 Cb 0.76 -1.48 -0.05 0.00 -0.06 0.00 0.00 31.44 30.60 2nef n GLU 64 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2nef n GLU 65 N -4.75 1.35 -3.58 5.31 1.02 -1.26 -4.88 120.64 113.85 2nef n GLU 65 Ca 0.12 0.32 -0.04 0.00 -0.02 0.00 0.00 57.16 57.54 2nef n GLU 65 Cb 0.50 -2.85 -0.06 0.00 -0.02 0.00 0.00 31.44 29.00 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2nef s VAL 66 N 8.50 -0.82 -0.04 2.62 1.01 -1.26 -5.04 120.40 125.36 2nef s VAL 66 Ca 1.06 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 2nef s VAL 66 Cb -0.58 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2nef s VAL 66 CO 0.41 0.02 0.03 0.61 0.00 0.00 0.00 175.10 176.17 2nef n GLY 67 N 5.42 -0.96 0.14 4.51 0.00 -1.26 -4.89 105.19 108.14 2nef n GLY 67 Ca -0.09 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2nef n GLY 67 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2nef h PHE 68 N 4.40 0.87 -2.41 1.61 0.04 -1.98 -3.44 116.94 116.03 2nef h PHE 68 Ca -0.07 -0.62 -0.56 0.00 2.80 0.00 0.00 57.97 59.52 2nef h PHE 68 Cb 0.45 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 2nef h PHE 68 CO 0.00 1.48 1.27 -2.14 -0.60 0.00 0.00 178.31 178.32 2nef s PRO 69 N -2.61 3.72 0.24 1.51 0.02 -1.26 -4.97 135.00 131.65 2nef s PRO 69 Ca -0.10 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 62.74 2nef s PRO 69 Cb 0.03 -4.17 -0.09 0.00 0.02 0.00 0.00 34.50 30.29 2nef s PRO 69 CO 0.91 -1.41 0.87 0.14 -0.33 0.00 0.00 177.00 177.18 2nef s VAL 70 N 5.85 4.25 -0.34 3.83 -7.23 -1.26 -5.04 120.40 120.46 2nef s VAL 70 Ca 0.85 1.81 0.00 0.00 -1.81 0.00 0.00 61.98 62.84 2nef s VAL 70 Cb -0.33 -4.12 0.11 0.00 0.56 0.00 0.00 36.38 32.59 2nef s VAL 70 CO 0.35 0.36 0.12 0.42 -0.31 0.00 0.00 175.10 176.04 2nef s THR 71 N -1.35 1.12 0.00 5.32 -4.23 -1.26 -5.12 115.64 110.12 2nef s THR 71 Ca 0.43 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2nef s THR 71 Cb -0.22 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2nef s THR 71 CO 0.27 -0.71 0.00 -0.81 -0.54 0.00 0.00 174.62 172.82 2nef n PRO 72 N 4.53 1.88 -1.51 3.99 -0.04 -1.26 -3.79 135.00 138.80 2nef n PRO 72 Ca 0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 2nef n PRO 72 Cb 0.41 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.70 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 0.08 -3.16 0.54 6.02 -1.26 -4.80 117.38 114.81 2nef n GLN 73 Ca 0.00 -0.03 -0.28 0.00 -0.01 0.00 0.00 57.00 56.68 2nef n GLN 73 Cb 0.00 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 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 6.35 4.98 -0.35 5.09 -7.23 -1.26 -4.93 120.40 123.06 2nef s VAL 74 Ca 1.31 0.07 -0.31 0.00 -1.81 0.00 0.00 61.98 61.23 2nef s VAL 74 Cb -1.01 -3.78 -0.13 0.00 0.56 0.00 0.00 36.38 32.02 2nef s VAL 74 CO 0.49 -0.48 1.38 -2.65 -0.31 0.00 0.00 175.10 173.53 2nef n PRO 75 N -1.36 0.00 -1.75 4.82 -0.02 -1.26 -4.71 135.00 130.71 2nef n PRO 75 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.07 2nef n PRO 75 Cb 0.55 -1.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.95 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 3.57 3.41 0.52 2.45 1.43 -1.26 -4.96 118.68 123.84 2nef s LEU 76 Ca 0.81 1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 54.92 2nef s LEU 76 Cb -1.05 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 2nef s LEU 76 CO 0.49 -2.36 0.95 -0.13 0.23 0.00 0.00 176.35 175.53 2nef s ARG 77 N 7.11 3.80 -0.21 1.70 0.52 -1.26 -5.00 118.95 125.61 2nef s ARG 77 Ca 0.89 0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 56.57 2nef s ARG 77 Cb -0.21 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 2nef s ARG 77 CO 0.28 -0.31 1.37 -1.25 0.02 0.00 0.00 175.30 175.42 2nef s PRO 78 N -4.38 4.05 -0.56 3.54 0.04 -1.26 -4.94 135.00 131.49 2nef s PRO 78 Ca 0.56 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 2nef s PRO 78 Cb -0.10 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 2nef s PRO 78 CO 0.38 -0.96 1.97 1.41 0.04 0.00 0.00 177.00 179.84 2nef s MET 79 N 3.97 2.60 0.37 4.56 1.75 -1.26 -4.95 119.30 126.33 2nef s MET 79 Ca 0.60 0.87 -0.10 0.00 -1.25 0.00 0.00 55.69 55.80 2nef s MET 79 Cb -0.22 -4.41 -0.07 0.00 2.84 0.00 0.00 34.83 32.98 2nef s MET 79 CO 0.21 -2.75 0.72 0.95 -0.65 0.00 0.00 175.02 173.50 2nef s THR 80 N 9.48 4.82 0.27 10.11 -4.23 -1.26 -4.87 115.64 129.96 2nef s THR 80 Ca 0.75 0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 61.81 2nef s THR 80 Cb -0.15 -3.71 0.25 0.00 1.34 0.00 0.00 72.50 70.23 2nef s THR 80 CO 0.23 -0.42 1.79 0.22 -0.54 0.00 0.00 174.62 175.90 2nef h TYR 81 N 1.52 0.90 -0.15 3.99 3.20 -1.92 2.80 116.97 127.31 2nef h TYR 81 Ca -0.47 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.47 2nef h TYR 81 Cb 1.19 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2nef h TYR 81 CO 0.60 0.27 0.11 -0.22 -1.64 0.00 0.00 178.16 177.29 2nef h LYS 82 N 0.75 0.00 -0.42 1.82 3.64 -1.95 -1.05 116.57 119.36 2nef h LYS 82 Ca 0.47 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.81 2nef h LYS 82 Cb 0.60 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2nef h LYS 82 CO -0.32 0.00 0.08 0.00 -2.27 0.00 0.00 179.45 176.94 2nef h ALA 83 N 1.92 0.55 0.01 5.00 0.00 0.46 0.14 119.26 127.34 2nef h ALA 83 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2nef h ALA 83 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2nef h ALA 83 CO -0.00 0.25 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 2nef h ALA 84 N 0.94 -0.01 -0.48 0.00 0.00 -0.61 0.38 119.26 119.48 2nef h ALA 84 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2nef h ALA 84 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2nef h ALA 84 CO 0.01 -0.46 0.12 0.28 0.00 0.00 0.00 179.25 179.20 2nef h VAL 85 N -0.12 1.24 -0.21 0.00 2.07 -1.41 0.57 116.25 118.38 2nef h VAL 85 Ca -0.00 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2nef h VAL 85 Cb 0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2nef h VAL 85 CO 0.00 0.29 0.12 0.44 0.02 0.00 0.00 177.57 178.45 2nef h ASP 86 N 0.65 0.26 -0.68 0.57 5.19 -0.55 -2.17 116.42 119.69 2nef h ASP 86 Ca 0.15 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2nef h ASP 86 Cb 0.32 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 2nef h ASP 86 CO 0.00 0.25 0.35 0.25 -3.12 0.00 0.00 179.24 176.97 2nef h LEU 87 N 0.25 0.87 -0.09 1.55 5.85 0.06 0.14 115.31 123.94 2nef h LEU 87 Ca 0.08 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2nef h LEU 87 Cb 0.04 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 2nef h LEU 87 CO -0.01 0.73 -0.50 0.77 -0.34 0.00 0.00 178.44 179.09 2nef h SER 88 N 0.93 -1.58 0.54 1.25 4.64 0.73 -0.90 113.55 119.17 2nef h SER 88 Ca 0.24 0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.65 2nef h SER 88 Cb 0.08 0.62 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2nef h SER 88 CO -0.03 -0.48 -0.45 0.45 -0.87 0.00 0.00 176.83 175.44 2nef h HIS 89 N -0.59 0.00 0.61 4.77 3.86 -1.26 -1.91 115.15 120.64 2nef h HIS 89 Ca 0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2nef h HIS 89 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2nef h HIS 89 CO -0.53 0.45 -0.49 0.35 0.86 0.00 0.00 177.93 178.57 2nef h PHE 90 N 0.00 -1.34 -0.05 2.45 3.04 0.57 -1.89 116.94 119.73 2nef h PHE 90 Ca -0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2nef h PHE 90 Cb 0.85 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 39.85 2nef h PHE 90 CO 0.00 -0.68 -0.14 -0.07 -2.02 0.00 0.00 178.31 175.40 2nef h LEU 91 N -1.06 0.07 -0.65 0.59 3.38 -1.25 -2.89 115.31 113.49 2nef h LEU 91 Ca -0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2nef h LEU 91 Cb 0.89 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2nef h LEU 91 CO 0.01 0.22 0.41 0.50 0.09 0.00 0.00 178.44 179.66 2nef h LYS 92 N 0.07 0.88 0.05 1.13 3.11 -0.63 2.90 116.57 124.09 2nef h LYS 92 Ca 0.01 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2nef h LYS 92 Cb 0.29 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2nef h LYS 92 CO 0.02 0.61 -0.02 0.93 -2.81 0.00 0.00 179.45 178.18 2nef h GLU 93 N 0.89 -0.06 0.02 1.90 3.07 -1.16 -3.22 114.58 116.02 2nef h GLU 93 Ca 0.24 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.95 2nef h GLU 93 Cb -0.05 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2nef h GLU 93 CO -0.05 -0.04 -0.59 0.87 -1.40 0.00 0.00 179.01 177.80 2nef h LYS 94 N -0.12 0.37 0.00 2.33 1.57 -1.62 -3.41 116.57 115.69 2nef h LYS 94 Ca -0.01 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2nef h LYS 94 Cb 0.05 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2nef h LYS 94 CO 0.01 1.10 0.00 0.41 -0.57 0.00 0.00 179.45 180.40 2nef n GLY 95 N 1.15 -0.67 0.27 3.86 0.00 0.51 -5.02 105.19 105.29 2nef n GLY 95 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N 1.03 0.64 1.49 -0.02 0.00 0.85 -4.91 105.19 104.26 2nef n GLY 96 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 2nef n GLY 96 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2nef n LEU 97 N -0.27 4.87 0.00 0.99 7.94 -1.26 -4.80 117.00 124.47 2nef n LEU 97 Ca 0.00 -2.41 0.00 0.00 -1.11 0.00 0.00 56.01 52.49 2nef n LEU 97 Cb 0.12 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2nef n LEU 97 CO 0.00 0.87 0.00 1.21 -1.11 0.00 0.00 177.39 178.36 2nef n GLU 98 N 0.52 3.12 -0.04 1.96 4.07 -1.26 -4.19 120.64 124.82 2nef n GLU 98 Ca 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2nef n GLU 98 Cb 0.66 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.04 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nef n GLY 99 N 0.00 0.56 3.62 8.31 0.00 -0.29 -3.21 105.19 114.18 2nef n GLY 99 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.77 -0.15 0.99 2.96 -1.26 -4.56 118.68 120.44 2nef s LEU 100 Ca 0.00 1.45 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 2nef s LEU 100 Cb 0.00 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2nef s LEU 100 CO 0.00 -1.37 2.00 -0.63 -1.32 0.00 0.00 176.35 175.04 2nef s ILE 101 N 5.55 3.18 -0.33 6.68 -1.09 -1.26 -3.01 121.20 130.91 2nef s ILE 101 Ca 0.71 0.19 -0.28 0.00 -2.23 0.00 0.00 60.65 59.04 2nef s ILE 101 Cb -0.23 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.45 2nef s ILE 101 CO 0.30 -0.09 1.75 -2.28 -1.23 0.00 0.00 174.94 173.39 2nef s HIS 102 N 6.52 1.88 0.00 3.97 5.65 0.79 -4.87 115.29 129.24 2nef s HIS 102 Ca 0.90 0.62 0.00 0.00 0.25 0.00 0.00 55.06 56.83 2nef s HIS 102 Cb -0.33 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 26.92 2nef s HIS 102 CO 0.36 -2.86 0.40 -1.13 -0.65 0.00 0.00 174.74 170.86 2nef n SER 103 N 10.02 0.00 0.00 9.88 3.41 -1.26 -3.26 113.62 132.41 2nef n SER 103 Ca 0.22 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2nef n SER 103 Cb 0.47 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2nef n GLN 104 N -1.90 0.00 0.00 4.33 7.27 -1.26 -3.49 117.38 122.33 2nef n GLN 104 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.17 2nef n GLN 104 Cb 0.00 0.00 0.46 0.00 2.41 0.00 0.00 30.24 33.11 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 -2.00 0.07 -0.10 3.69 1.74 -1.26 -3.24 116.66 115.56 2nef n ARG 105 Ca 0.00 0.13 0.23 0.00 -0.77 0.00 0.00 57.85 57.44 2nef n ARG 105 Cb 0.00 -1.50 0.67 0.00 -1.02 0.00 0.00 32.46 30.61 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2nef h ARG 106 N 0.00 0.07 -0.03 5.56 9.65 -1.94 -0.70 114.38 126.99 2nef h ARG 106 Ca 0.00 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2nef h ARG 106 Cb 0.32 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2nef h ARG 106 CO 0.00 0.05 0.01 0.37 2.80 0.00 0.00 179.97 183.19 2nef h GLN 107 N 0.07 0.04 0.27 0.20 5.75 -1.96 -2.98 115.11 116.50 2nef h GLN 107 Ca 0.34 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 2nef h GLN 107 Cb 1.26 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 2nef h GLN 107 CO -0.03 0.27 -0.20 -0.44 -2.65 0.00 0.00 178.83 175.78 2nef h ASP 108 N -0.19 -0.53 -0.58 -0.69 3.32 -1.38 -2.84 116.42 113.53 2nef h ASP 108 Ca 0.01 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.20 2nef h ASP 108 Cb 0.25 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.86 2nef h ASP 108 CO 0.00 -0.31 -0.36 0.40 -1.72 0.00 0.00 179.24 177.24 2nef h ILE 109 N -0.48 0.15 -0.05 0.35 2.04 -1.50 0.68 117.51 118.70 2nef h ILE 109 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2nef h ILE 109 Cb 0.42 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2nef h ILE 109 CO -0.01 0.00 -0.18 0.25 0.00 0.00 0.00 178.15 178.21 2nef h LEU 110 N -0.18 -0.57 -0.48 1.44 5.85 -1.35 1.41 115.31 121.42 2nef h LEU 110 Ca 0.22 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2nef h LEU 110 Cb 0.56 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2nef h LEU 110 CO -0.68 -0.16 0.16 0.44 -0.34 0.00 0.00 178.44 177.86 2nef h ASP 111 N -0.19 0.15 -0.01 1.25 5.19 -1.18 -2.31 116.42 119.33 2nef h ASP 111 Ca 0.01 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2nef h ASP 111 Cb 0.22 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2nef h ASP 111 CO -0.15 0.11 0.01 0.25 -3.12 0.00 0.00 179.24 176.34 2nef h LEU 112 N 0.33 0.02 -0.83 1.55 5.85 0.91 -2.56 115.31 120.58 2nef h LEU 112 Ca 0.23 -0.16 0.19 0.00 0.84 0.00 0.00 57.88 58.99 2nef h LEU 112 Cb 0.25 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.16 2nef h LEU 112 CO -0.25 0.17 0.31 -0.25 -0.34 0.00 0.00 178.44 178.08 2nef h TRP 113 N -0.13 0.50 -0.56 1.25 7.01 0.22 0.86 115.95 125.10 2nef h TRP 113 Ca 0.00 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2nef h TRP 113 Cb 0.16 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2nef h TRP 113 CO -0.02 -0.05 0.37 0.82 -2.79 0.00 0.00 178.44 176.77 2nef h ILE 114 N 0.36 1.14 0.41 2.65 1.08 -1.09 -2.83 117.51 119.24 2nef h ILE 114 Ca 0.49 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.68 2nef h ILE 114 Cb 0.88 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2nef h ILE 114 CO -0.51 0.14 -0.20 0.22 -0.69 0.00 0.00 178.15 177.11 2nef h TYR 115 N 0.75 -0.52 0.00 1.37 3.20 0.11 0.25 116.97 122.14 2nef h TYR 115 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2nef h TYR 115 Cb -0.08 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2nef h TYR 115 CO -0.00 -0.32 0.00 0.72 -1.64 0.00 0.00 178.16 176.92 2nef n HIS 116 N -4.03 0.00 0.00 -3.82 8.25 -0.78 -1.85 115.22 112.99 2nef n HIS 116 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2nef n HIS 116 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N -0.59 0.00 0.04 1.59 -2.24 -1.07 -4.14 114.28 107.86 2nef n THR 117 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 2nef n THR 117 Cb 0.00 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 2nef n THR 117 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2nef h GLN 118 N 0.00 0.04 0.00 -0.78 -0.00 -0.73 -3.45 115.11 110.19 2nef h GLN 118 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2nef h GLN 118 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.51 2nef h GLN 118 CO 0.00 0.89 0.00 0.41 0.00 0.00 0.00 178.83 180.13 2nef n GLY 119 N 1.45 0.68 3.72 2.39 0.00 0.24 -4.59 105.19 109.08 2nef n GLY 119 Ca -0.07 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 3.47 0.40 1.61 2.02 -1.25 -4.86 117.35 116.74 2nef s TYR 120 Ca 0.00 1.39 -0.23 0.00 -0.37 0.00 0.00 57.07 57.86 2nef s TYR 120 Cb 0.00 -3.39 -0.10 0.00 -0.40 0.00 0.00 41.96 38.07 2nef s TYR 120 CO 0.00 -1.12 0.98 -0.06 -1.57 0.00 0.00 175.55 173.78 2nef s PHE 121 N 0.54 3.37 0.00 2.71 0.08 -1.26 -4.51 117.98 118.92 2nef s PHE 121 Ca 0.55 1.66 -0.00 0.00 0.12 0.00 0.00 56.93 59.27 2nef s PHE 121 Cb -0.30 -2.96 -0.00 0.00 -0.57 0.00 0.00 43.02 39.19 2nef s PHE 121 CO 0.32 -0.22 1.73 -0.35 -0.10 0.00 0.00 175.22 176.60 2nef n PRO 122 N -0.20 0.86 -0.11 0.24 -0.04 -1.26 -4.32 135.00 130.17 2nef n PRO 122 Ca 0.05 -0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2nef n PRO 122 Cb 0.52 -1.07 0.03 0.00 -0.04 0.00 0.00 33.50 32.94 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2nef n ASP 123 N 1.57 2.14 0.00 3.54 5.75 -1.26 -3.22 116.55 125.06 2nef n ASP 123 Ca 0.00 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 2nef n ASP 123 Cb 0.43 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.17 0.00 -2.19 2.11 4.27 -1.26 -4.94 117.44 115.61 2nef n TRP 124 Ca 0.04 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.27 2nef n TRP 124 Cb 0.46 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.38 2nef n TRP 124 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 2nef n GLN 125 N -1.01 2.48 -3.77 -2.67 7.27 -1.20 -4.44 117.38 114.05 2nef n GLN 125 Ca 0.00 -2.81 -0.30 0.00 0.07 0.00 0.00 57.00 53.96 2nef n GLN 125 Cb 0.10 -3.50 -0.13 0.00 2.41 0.00 0.00 30.24 29.11 2nef n GLN 125 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2nef s ASN 126 N 4.92 3.83 1.05 1.69 0.02 -1.26 -5.06 114.94 120.13 2nef s ASN 126 Ca 0.58 -2.68 -0.14 0.00 -1.02 0.00 0.00 52.86 49.61 2nef s ASN 126 Cb 0.05 -1.18 0.21 0.00 0.02 0.00 0.00 41.25 40.35 2nef s ASN 126 CO 0.08 -0.27 1.10 -0.31 0.02 0.00 0.00 177.10 177.73 2nef s TYR 127 N 0.25 1.79 0.93 2.20 2.02 -1.26 -2.70 117.35 120.58 2nef s TYR 127 Ca 0.17 0.87 -0.15 0.00 -0.37 0.00 0.00 57.07 57.59 2nef s TYR 127 Cb -0.25 -3.31 0.24 0.00 -0.40 0.00 0.00 41.96 38.24 2nef s TYR 127 CO -0.00 -3.12 0.66 0.25 -1.57 0.00 0.00 175.55 171.77 2nef n THR 128 N -4.31 0.00 0.00 -0.71 -2.24 -1.05 -4.76 114.28 101.21 2nef n THR 128 Ca 0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2nef n THR 128 Cb 0.58 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2nef n THR 128 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2nef n PRO 129 N -4.22 0.00 -2.19 -0.78 -0.02 -1.26 -4.84 135.00 121.69 2nef n PRO 129 Ca 0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.32 2nef n PRO 129 Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.90 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 130 N 0.00 6.18 0.00 -1.23 0.00 -1.26 -5.03 105.19 103.86 2nef n GLY 130 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.61 1.74 -0.00 1.61 -0.04 -1.26 -5.05 135.00 131.39 2nef n PRO 131 Ca 0.43 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2nef n PRO 131 Cb 0.80 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.26 2nef n PRO 131 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2nef h GLY 132 N 0.00 0.00 -7.29 0.55 0.00 -1.98 -3.44 103.07 90.91 2nef h GLY 132 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2nef h GLY 132 CO 0.00 0.00 0.89 -0.42 0.00 0.00 0.00 176.54 177.01 2nef s ILE 133 N -1.06 3.93 -0.60 2.60 -1.09 -1.26 -4.15 121.20 119.57 2nef s ILE 133 Ca -0.01 0.22 -0.27 0.00 -2.23 0.00 0.00 60.65 58.36 2nef s ILE 133 Cb 0.00 -4.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.06 2nef s ILE 133 CO 0.01 -1.69 1.52 -0.13 -1.23 0.00 0.00 174.94 173.42 2nef s ARG 134 N 5.15 3.11 0.30 2.79 0.52 -0.74 -4.98 118.95 125.10 2nef s ARG 134 Ca 0.32 0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 55.79 2nef s ARG 134 Cb -0.11 -4.20 -0.09 0.00 0.52 0.00 0.00 34.95 31.07 2nef s ARG 134 CO 0.14 -2.17 0.72 0.71 0.02 0.00 0.00 175.30 174.72 2nef s TYR 135 N 6.80 3.41 -0.28 -0.53 2.02 -1.26 -2.59 117.35 124.91 2nef s TYR 135 Ca 0.54 1.21 -0.29 0.00 -0.37 0.00 0.00 57.07 58.16 2nef s TYR 135 Cb -0.11 -2.52 -0.00 0.00 -0.40 0.00 0.00 41.96 38.92 2nef s TYR 135 CO 0.22 0.14 1.32 -1.25 -1.57 0.00 0.00 175.55 174.42 2nef s PRO 136 N -2.84 3.93 0.12 -1.71 0.04 -1.26 -2.52 135.00 130.76 2nef s PRO 136 Ca 0.52 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 2nef s PRO 136 Cb -0.11 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 2nef s PRO 136 CO 0.18 -1.10 1.75 -0.07 0.04 0.00 0.00 177.00 177.80 2nef h LEU 137 N 10.85 0.09-10.29 -3.56 3.38 -1.81 -3.43 115.31 110.54 2nef h LEU 137 Ca -0.27 0.02 -0.44 0.00 0.09 0.00 0.00 57.88 57.28 2nef h LEU 137 Cb 1.10 0.01 0.18 0.00 0.09 0.00 0.00 40.66 42.04 2nef h LEU 137 CO 1.03 0.08 0.12 0.28 0.09 0.00 0.00 178.44 180.03 2nef s THR 138 N -6.18 1.91 0.10 0.22 -1.32 -1.26 -4.65 115.64 104.45 2nef s THR 138 Ca -0.13 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 2nef s THR 138 Cb 0.09 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.68 2nef s THR 138 CO 0.69 0.00 0.12 0.12 -2.21 0.00 0.00 174.62 173.34 2nef s PHE 139 N -2.81 3.26 0.00 9.09 5.36 -1.26 -4.50 117.98 127.11 2nef s PHE 139 Ca 0.67 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 2nef s PHE 139 Cb -0.19 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 2nef s PHE 139 CO 0.59 0.53 0.00 0.41 -1.46 0.00 0.00 175.22 175.30 2nef n GLY 140 N 0.23 2.76 3.56 13.12 0.00 -1.26 -4.91 105.19 118.68 2nef n GLY 140 Ca -0.08 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.11 2.12 -0.11 1.61 -0.00 -1.26 -3.68 118.94 116.51 2nef s TRP 141 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 56.10 56.11 2nef s TRP 141 Cb 0.00 -4.40 0.01 0.00 -0.00 0.00 0.00 33.47 29.08 2nef s TRP 141 CO 0.00 -1.99 2.31 0.00 -0.00 0.00 0.00 176.95 177.27 2nef s TYR 143 N -0.39 3.25 -0.41 0.00 2.02 -1.26 -1.83 117.35 118.73 2nef s TYR 143 Ca 0.22 -1.42 -0.12 0.00 -0.37 0.00 0.00 57.07 55.38 2nef s TYR 143 Cb 0.13 -2.27 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 2nef s TYR 143 CO -0.01 -0.73 0.27 0.21 -1.57 0.00 0.00 175.55 173.72 2nef s LYS 144 N 1.40 2.84 0.39 -0.62 2.20 -1.01 -4.34 119.74 120.60 2nef s LYS 144 Ca -0.02 -1.20 -0.24 0.00 -0.36 0.00 0.00 55.97 54.16 2nef s LYS 144 Cb -0.19 -3.87 -0.10 0.00 -1.51 0.00 0.00 37.83 32.15 2nef s LYS 144 CO 0.03 -0.83 0.98 -0.51 -0.36 0.00 0.00 175.35 174.65 2nef s LEU 145 N 1.57 4.13 -0.27 5.43 1.43 -1.07 -1.65 118.68 128.25 2nef s LEU 145 Ca 0.03 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2nef s LEU 145 Cb -0.21 -4.27 0.10 0.00 0.03 0.00 0.00 46.19 41.85 2nef s LEU 145 CO 0.06 -0.31 0.62 -0.69 0.23 0.00 0.00 176.35 176.26 2nef s VAL 146 N -1.84 -0.56 0.38 -1.59 1.01 -1.11 -1.79 120.40 114.89 2nef s VAL 146 Ca 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2nef s VAL 146 Cb -0.16 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.36 2nef s VAL 146 CO 0.21 0.01 0.16 -2.65 0.00 0.00 0.00 175.10 172.82 2nef n PRO 147 N 4.99 -0.32 0.00 2.72 -0.02 -1.26 -3.01 135.00 138.11 2nef n PRO 147 Ca -0.15 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 2nef n PRO 147 Cb 0.53 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 2nef n PRO 147 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2nef n VAL 148 N -3.18 0.00 -2.22 -1.45 0.31 -1.25 -4.70 118.33 105.84 2nef n VAL 148 Ca 0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.00 2nef n VAL 148 Cb 0.11 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 0.96 3.39 -0.76 5.55 0.41 -1.26 -4.93 118.70 122.06 2nef s GLU 149 Ca 0.00 1.69 -0.26 0.00 -0.41 0.00 0.00 54.97 55.98 2nef s GLU 149 Cb 0.00 -2.08 0.02 0.00 -1.78 0.00 0.00 34.13 30.28 2nef s GLU 149 CO 0.00 -0.84 1.49 -1.25 -0.49 0.00 0.00 175.26 174.17 2nef s PRO 150 N -3.16 3.07 -0.32 0.39 0.04 -1.26 -4.90 135.00 128.86 2nef s PRO 150 Ca 0.71 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 2nef s PRO 150 Cb -0.26 -4.44 -0.20 0.00 0.04 0.00 0.00 34.50 29.63 2nef s PRO 150 CO 0.30 -2.37 1.62 0.39 0.04 0.00 0.00 177.00 176.97 2nef n GLU 151 N 9.24 0.66 0.00 4.56 1.02 -1.26 -4.43 120.64 130.42 2nef n GLU 151 Ca 0.14 -1.18 0.15 0.00 -0.02 0.00 0.00 57.16 56.25 2nef n GLU 151 Cb 0.50 -2.50 0.79 0.00 -0.02 0.00 0.00 31.44 30.20 2nef n GLU 151 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2nef n LYS 152 N 6.65 0.99 0.00 3.49 4.81 -1.26 -4.78 118.16 128.05 2nef n LYS 152 Ca 0.38 -0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2nef n LYS 152 Cb 0.29 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.85 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2nef n LEU 153 N -0.82 0.00 0.00 3.14 4.77 -1.26 -5.07 117.00 117.76 2nef n LEU 153 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2nef n LEU 153 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2nef n LEU 153 CO 0.19 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.63 2nef n GLU 154 N 0.00 3.62 -3.64 3.23 1.02 -1.26 -5.10 120.64 118.51 2nef n GLU 154 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2nef n GLU 154 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2nef n GLU 154 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 155 N 0.00 0.54 0.00 3.49 2.56 -1.26 -5.05 118.70 118.98 2nef s GLU 155 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 54.97 55.79 2nef s GLU 155 Cb 0.00 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.30 2nef s GLU 155 CO 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 175.26 174.61 2nef n ALA 156 N 3.39 0.00 -2.52 6.30 0.00 -1.26 -4.96 120.51 121.46 2nef n ALA 156 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 2nef n ALA 156 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.47 6.79 -1.20 0.00 0.01 -1.26 -5.01 114.94 112.81 2nef s ASN 157 Ca 0.00 0.94 -0.07 0.00 -0.71 0.00 0.00 52.86 53.02 2nef s ASN 157 Cb 0.00 -2.24 0.22 0.00 0.41 0.00 0.00 41.25 39.64 2nef s ASN 157 CO 0.00 0.32 1.75 1.17 -1.51 0.00 0.00 177.10 178.83 2nef n LYS 158 N 1.87 4.05 0.00 -0.60 3.00 -1.26 -4.28 118.16 120.94 2nef n LYS 158 Ca -0.14 -3.95 0.00 0.00 -0.00 0.00 0.00 58.31 54.22 2nef n LYS 158 Cb 0.52 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.81 2nef n LYS 158 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2nef n ASP 174 N 2.67 0.00 -4.85 3.14 5.75 -1.26 -5.10 116.55 116.90 2nef n ASP 174 Ca 0.36 -1.00 -0.32 0.00 -0.01 0.00 0.00 54.79 53.81 2nef n ASP 174 Cb 0.34 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.00 6.76 -0.47 -1.12 1.47 -1.26 -4.94 116.67 117.10 2nef s ASP 175 Ca 0.00 1.26 -0.44 0.00 1.18 0.00 0.00 52.55 54.55 2nef s ASP 175 Cb 0.00 -2.37 -0.19 0.00 -0.34 0.00 0.00 42.92 40.03 2nef s ASP 175 CO 0.00 -0.21 1.57 -2.65 0.68 0.00 0.00 175.17 174.56 2nef n PRO 176 N -0.40 0.00 -1.23 2.11 -0.02 -1.26 -4.75 135.00 129.45 2nef n PRO 176 Ca 0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 2nef n PRO 176 Cb 0.53 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 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 4.13 3.40 -2.71 -0.52 1.02 -1.26 -4.92 120.64 119.78 2nef n GLU 177 Ca 0.32 -2.09 -0.40 0.00 -0.02 0.00 0.00 57.16 54.96 2nef n GLU 177 Cb -0.05 -2.76 -0.05 0.00 -0.02 0.00 0.00 31.44 28.55 2nef n GLU 177 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2nef s ARG 178 N 2.43 4.79 -0.56 3.49 1.70 -1.26 -4.97 118.95 124.57 2nef s ARG 178 Ca 0.64 1.52 -0.28 0.00 -0.47 0.00 0.00 55.73 57.14 2nef s ARG 178 Cb 0.17 -3.29 0.01 0.00 -0.57 0.00 0.00 34.95 31.26 2nef s ARG 178 CO -0.06 0.40 1.48 -1.21 -1.08 0.00 0.00 175.30 174.84 2nef s GLU 179 N -0.89 3.23 -1.08 3.89 2.02 -1.23 -4.93 118.70 119.71 2nef s GLU 179 Ca 0.43 0.49 -0.14 0.00 0.02 0.00 0.00 54.97 55.77 2nef s GLU 179 Cb -0.26 -4.16 0.18 0.00 0.10 0.00 0.00 34.13 29.99 2nef s GLU 179 CO 0.32 -2.03 1.23 0.08 0.02 0.00 0.00 175.26 174.89 2nef s VAL 180 N 6.41 5.17 -0.07 2.63 1.01 -1.26 -4.28 120.40 130.02 2nef s VAL 180 Ca 0.55 -2.47 0.04 0.00 0.00 0.00 0.00 61.98 60.09 2nef s VAL 180 Cb -0.11 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.47 2nef s VAL 180 CO 0.24 -1.46 -0.19 -0.76 0.00 0.00 0.00 175.10 172.93 2nef s LEU 181 N 1.25 2.40 -0.15 3.92 1.43 -1.20 -3.91 118.68 122.42 2nef s LEU 181 Ca 0.36 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 2nef s LEU 181 Cb -0.05 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2nef s LEU 181 CO -0.05 0.27 0.03 -1.83 0.23 0.00 0.00 176.35 175.00 2nef s GLU 182 N -0.27 3.65 -0.12 1.70 -1.05 -1.16 0.28 118.70 121.73 2nef s GLU 182 Ca 0.01 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 2nef s GLU 182 Cb -0.13 -3.06 -0.02 0.00 -0.44 0.00 0.00 34.13 30.48 2nef s GLU 182 CO 0.03 0.41 1.21 -1.58 0.95 0.00 0.00 175.26 176.28 2nef s TRP 183 N -0.03 3.05 -0.49 4.83 0.51 -1.17 -2.75 118.94 122.90 2nef s TRP 183 Ca 0.05 1.14 -0.11 0.00 -2.12 0.00 0.00 56.10 55.06 2nef s TRP 183 Cb -0.12 -3.44 0.12 0.00 -0.81 0.00 0.00 33.47 29.21 2nef s TRP 183 CO 0.01 -1.41 0.38 1.03 -0.51 0.00 0.00 176.95 176.45 2nef s ARG 184 N 2.86 2.62 0.18 4.98 0.52 -0.66 -1.14 118.95 128.31 2nef s ARG 184 Ca 0.54 -1.73 -0.31 0.00 -0.52 0.00 0.00 55.73 53.71 2nef s ARG 184 Cb -0.23 -4.02 -0.09 0.00 0.52 0.00 0.00 34.95 31.13 2nef s ARG 184 CO 0.17 -1.22 1.40 0.12 0.02 0.00 0.00 175.30 175.80 2nef s PHE 185 N 1.43 3.17 -0.45 -0.53 2.19 -1.26 -2.40 117.98 120.13 2nef s PHE 185 Ca 0.05 1.01 0.07 0.00 0.33 0.00 0.00 56.93 58.39 2nef s PHE 185 Cb -0.27 -3.72 0.29 0.00 -1.31 0.00 0.00 43.02 38.00 2nef s PHE 185 CO 0.00 -2.44 0.89 -3.47 1.83 0.00 0.00 175.22 172.04 2nef n ASP 186 N 3.15 -1.69 0.04 6.13 2.03 -0.76 -4.97 116.55 120.49 2nef n ASP 186 Ca 0.09 -3.32 0.01 0.00 0.52 0.00 0.00 54.79 52.09 2nef n ASP 186 Cb 0.41 1.14 0.03 0.00 -0.72 0.00 0.00 41.12 41.99 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 0.94 0.03 -0.12 1.67 2.88 -1.26 -0.75 113.62 117.01 2nef n SER 187 Ca 0.12 0.16 0.03 0.00 -1.33 0.00 0.00 58.87 57.86 2nef n SER 187 Cb 0.65 -0.11 0.35 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.74 0.00 -1.46 3.08 -1.93 0.31 114.38 115.12 2nef h ARG 188 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2nef h ARG 188 Cb 0.92 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2nef h ARG 188 CO 0.00 0.49 0.00 -0.11 -1.07 0.00 0.00 179.97 179.28 2nef n LEU 189 N -4.46 0.00 0.00 3.04 0.00 0.07 -1.90 117.00 113.75 2nef n LEU 189 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 56.01 56.18 2nef n LEU 189 Cb 0.09 -0.07 0.25 0.00 0.00 0.00 0.00 43.42 43.69 2nef n LEU 189 CO 0.35 -0.06 0.48 0.00 0.00 0.00 0.00 177.39 178.17 2nef n ALA 190 N -1.07 2.09 0.04 1.96 0.00 0.11 -3.96 120.51 119.69 2nef n ALA 190 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2nef n ALA 190 Cb 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.74 -0.66 -2.36 0.00 3.72 -0.80 -4.96 117.46 111.67 2nef n PHE 191 Ca 0.06 0.12 -0.43 0.00 -0.05 0.00 0.00 57.45 57.15 2nef n PHE 191 Cb 0.03 0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2nef s HIS 192 N -1.38 2.84 -0.71 1.38 2.46 -1.25 -4.96 115.29 113.66 2nef s HIS 192 Ca 0.00 0.94 -0.19 0.00 0.47 0.00 0.00 55.06 56.28 2nef s HIS 192 Cb 0.00 -3.55 0.12 0.00 -0.13 0.00 0.00 32.58 29.01 2nef s HIS 192 CO 0.00 -1.95 0.85 -3.38 -2.47 0.00 0.00 174.74 167.79 2nef s HIS 193 N 3.08 3.05 -0.01 3.88 -3.43 -1.26 -4.67 115.29 115.93 2nef s HIS 193 Ca 0.58 -1.10 -0.19 0.00 -0.80 0.00 0.00 55.06 53.56 2nef s HIS 193 Cb -0.25 -4.10 -0.34 0.00 -1.43 0.00 0.00 32.58 26.46 2nef s HIS 193 CO 0.20 -1.37 0.93 0.52 -2.00 0.00 0.00 174.74 173.02 2nef h MET 194 N 9.02 0.42 -0.69 -0.38 2.86 -1.93 -2.83 114.93 121.41 2nef h MET 194 Ca -0.15 -0.72 0.08 0.00 -2.06 0.00 0.00 59.70 56.86 2nef h MET 194 Cb 1.06 0.27 -0.07 0.00 0.06 0.00 0.00 31.60 32.93 2nef h MET 194 CO 1.08 1.34 0.35 0.00 1.06 0.00 0.00 176.91 180.74 2nef h ALA 195 N 0.11 0.93 -0.19 6.32 0.00 -1.89 0.15 119.26 124.69 2nef h ALA 195 Ca -0.21 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2nef h ALA 195 Cb 1.91 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2nef h ALA 195 CO 0.21 -0.04 -0.41 -0.09 0.00 0.00 0.00 179.25 178.93 2nef h ARG 196 N 0.60 0.62 0.00 0.00 2.43 -1.83 -3.00 114.38 113.20 2nef h ARG 196 Ca 0.33 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2nef h ARG 196 Cb 0.32 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2nef h ARG 196 CO -0.25 1.02 -0.05 1.49 -1.51 0.00 0.00 179.97 180.68 2nef h GLU 197 N 0.30 0.00 0.16 0.20 4.22 -1.17 -2.79 114.58 115.49 2nef h GLU 197 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 2nef h GLU 197 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2nef h GLU 197 CO 0.09 0.05 -0.08 -0.07 -2.18 0.00 0.00 179.01 176.82 2nef h LEU 198 N 0.00 -0.18 -6.19 1.64 3.38 -0.61 -3.44 115.31 109.91 2nef h LEU 198 Ca -0.00 0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 2nef h LEU 198 Cb 0.48 0.05 -0.35 0.00 0.09 0.00 0.00 40.66 40.93 2nef h LEU 198 CO 0.01 0.21 -0.91 -1.00 0.09 0.00 0.00 178.44 176.84 2nef s HIS 199 N -2.22 0.70 -0.29 1.13 3.76 -1.14 -4.96 115.29 112.28 2nef s HIS 199 Ca -0.03 -2.07 0.21 0.00 -0.15 0.00 0.00 55.06 53.02 2nef s HIS 199 Cb 0.00 -0.74 0.12 0.00 1.11 0.00 0.00 32.58 33.07 2nef s HIS 199 CO 0.09 -0.89 1.29 -1.00 -0.85 0.00 0.00 174.74 173.39 2nef h PRO 200 N 5.60 0.00 -0.49 8.40 0.13 -1.71 -3.34 132.00 140.58 2nef h PRO 200 Ca 0.23 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.51 2nef h PRO 200 Cb 0.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2nef h PRO 200 CO 0.32 0.11 0.75 1.49 -0.23 0.00 0.00 178.00 180.44 2nef h GLU 201 N 0.00 0.00 0.03 0.86 4.81 -1.93 0.93 114.58 119.29 2nef h GLU 201 Ca -0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2nef h GLU 201 Cb 1.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.51 2nef h GLU 201 CO 0.01 0.00 -0.46 1.88 -0.73 0.00 0.00 179.01 179.71 2nef h TYR 202 N 0.00 0.40 -3.19 0.92 -1.99 -2.00 -3.45 116.97 107.66 2nef h TYR 202 Ca 0.23 -0.24 -0.53 0.00 2.00 0.00 0.00 58.73 60.19 2nef h TYR 202 Cb 1.73 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 40.41 2nef h TYR 202 CO 0.00 1.10 -0.18 -0.06 -0.00 0.00 0.00 178.16 179.02 2nef s PHE 203 N -2.87 3.47 0.96 4.88 0.40 0.32 -5.09 117.98 120.05 2nef s PHE 203 Ca -0.15 0.63 -0.14 0.00 -0.60 0.00 0.00 56.93 56.67 2nef s PHE 203 Cb 0.01 -2.09 0.17 0.00 0.51 0.00 0.00 43.02 41.62 2nef s PHE 203 CO 0.78 0.24 1.18 0.15 0.70 0.00 0.00 175.22 178.28 2nef s LYS 204 N -3.30 0.74 0.00 0.44 1.02 -1.26 -4.91 119.74 112.48 2nef s LYS 204 Ca 0.43 0.03 0.09 0.00 0.02 0.00 0.00 55.97 56.55 2nef s LYS 204 Cb -0.11 -1.82 0.46 0.00 -0.52 0.00 0.00 37.83 35.84 2nef s LYS 204 CO 0.28 -2.42 1.31 0.27 -0.92 0.00 0.00 175.35 173.87 2nef n ASN 205 N -3.87 0.40 -0.09 2.83 0.23 -1.26 -5.07 115.26 108.43 2nef n ASN 205 Ca 0.10 -1.79 0.16 0.00 -0.53 0.00 0.00 54.58 52.52 2nef n ASN 205 Cb 0.60 -0.04 0.87 0.00 -2.08 0.00 0.00 39.78 39.13 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33