#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 0.36 0.00 -0.00 -1.26 -4.38 117.44 112.15 2nef n TRP 57 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 2nef n TRP 57 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 31.39 2nef n TRP 57 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2nef n LEU 58 N 0.00 3.54 -4.39 5.87 7.94 -1.26 -4.74 117.00 123.96 2nef n LEU 58 Ca 0.00 -1.82 -0.37 0.00 -1.11 0.00 0.00 56.01 52.70 2nef n LEU 58 Cb 0.00 -0.59 -0.03 0.00 0.53 0.00 0.00 43.42 43.33 2nef n LEU 58 CO 0.00 0.56 1.89 -0.62 -1.11 0.00 0.00 177.39 178.11 2nef n GLU 59 N 0.07 2.38 0.00 1.96 -0.58 -1.26 -4.88 120.64 118.33 2nef n GLU 59 Ca 0.15 -2.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 2nef n GLU 59 Cb 0.75 -3.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.11 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 10.33 0.00 0.23 0.62 0.00 -1.26 -4.67 120.51 125.76 2nef n ALA 60 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.98 2nef n ALA 60 Cb 0.45 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.43 2nef n ALA 60 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2nef h GLN 61 N 0.00 0.00 -6.35 0.00 4.15 -2.03 -3.40 115.11 107.49 2nef h GLN 61 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.85 2nef h GLN 61 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2nef h GLN 61 CO 0.00 0.16 1.21 -2.00 -1.93 0.00 0.00 178.83 176.28 2nef s GLU 62 N -4.64 3.39 -0.04 1.69 2.12 -1.26 -4.96 118.70 114.99 2nef s GLU 62 Ca -0.04 1.25 -0.25 0.00 0.36 0.00 0.00 54.97 56.29 2nef s GLU 62 Cb 0.16 -4.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2nef s GLU 62 CO 0.69 -1.79 0.76 -1.21 -0.54 0.00 0.00 175.26 173.17 2nef s GLU 63 N 5.46 4.46 -0.30 4.30 0.41 -1.26 -4.73 118.70 127.05 2nef s GLU 63 Ca 0.73 0.99 -0.14 0.00 -0.41 0.00 0.00 54.97 56.15 2nef s GLU 63 Cb -0.19 -3.44 0.14 0.00 -1.78 0.00 0.00 34.13 28.86 2nef s GLU 63 CO 0.33 0.07 0.88 -2.00 -0.49 0.00 0.00 175.26 174.04 2nef s GLU 64 N 0.75 0.42 0.43 1.61 2.56 -1.26 -5.14 118.70 118.07 2nef s GLU 64 Ca 0.40 0.93 -0.26 0.00 0.00 0.00 0.00 54.97 56.04 2nef s GLU 64 Cb -0.19 0.42 -0.09 0.00 2.00 0.00 0.00 34.13 36.28 2nef s GLU 64 CO 0.20 -0.12 1.42 -1.21 -0.56 0.00 0.00 175.26 174.99 2nef s GLU 65 N 2.20 3.78 -0.57 4.30 2.02 -1.26 -4.85 118.70 124.33 2nef s GLU 65 Ca -0.06 2.42 -0.07 0.00 0.02 0.00 0.00 54.97 57.28 2nef s GLU 65 Cb -0.07 -2.72 -0.16 0.00 0.10 0.00 0.00 34.13 31.29 2nef s GLU 65 CO -0.17 -0.74 3.28 0.28 0.02 0.00 0.00 175.26 177.93 2nef n VAL 66 N -0.05 3.52 0.00 2.63 0.31 -1.26 -4.90 118.33 118.58 2nef n VAL 66 Ca 0.04 -2.13 0.00 0.00 -0.01 0.00 0.00 64.34 62.24 2nef n VAL 66 Cb 0.42 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 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 2.55 0.41 3.60 2.92 0.00 -1.26 -4.45 105.19 108.95 2nef n GLY 67 Ca 0.54 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.75 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 3.15 0.72 1.61 0.40 -1.26 -5.02 117.98 117.58 2nef s PHE 68 Ca 0.00 0.64 -0.17 0.00 -0.60 0.00 0.00 56.93 56.80 2nef s PHE 68 Cb 0.00 -3.33 -0.13 0.00 0.51 0.00 0.00 43.02 40.08 2nef s PHE 68 CO 0.00 -0.67 -0.23 -2.30 0.70 0.00 0.00 175.22 172.73 2nef n PRO 69 N 6.33 0.05 -2.12 0.24 -0.02 -1.26 -4.95 135.00 133.27 2nef n PRO 69 Ca 0.03 0.03 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 2nef n PRO 69 Cb 0.48 -1.17 0.03 0.00 -0.02 0.00 0.00 33.50 32.82 2nef n PRO 69 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2nef s VAL 70 N -1.99 3.87 -0.36 -1.45 -7.23 -1.26 -5.02 120.40 106.96 2nef s VAL 70 Ca 0.53 0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 60.83 2nef s VAL 70 Cb -0.36 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.02 2nef s VAL 70 CO 0.70 -0.68 0.77 0.42 -0.31 0.00 0.00 175.10 176.00 2nef s THR 71 N -3.15 4.75 0.00 5.32 -4.23 -1.23 -4.95 115.64 112.14 2nef s THR 71 Ca 0.55 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2nef s THR 71 Cb -0.11 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2nef s THR 71 CO 0.49 -0.40 0.00 -2.65 -0.54 0.00 0.00 174.62 171.52 2nef n PRO 72 N 6.36 2.00 -1.55 3.99 -0.02 -1.21 -3.09 135.00 141.48 2nef n PRO 72 Ca 0.03 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.23 2nef n PRO 72 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 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 -0.06 0.76 -3.48 -0.52 6.02 -1.26 -4.44 117.38 114.40 2nef n GLN 73 Ca 0.00 -0.29 -0.28 0.00 -0.01 0.00 0.00 57.00 56.42 2nef n GLN 73 Cb 0.00 -3.28 -0.03 0.00 1.02 0.00 0.00 30.24 27.94 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 12.37 5.10 0.21 5.09 -7.23 -1.26 -5.00 120.40 129.67 2nef s VAL 74 Ca 1.01 -0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 60.86 2nef s VAL 74 Cb -0.27 -3.74 -0.13 0.00 0.56 0.00 0.00 36.38 32.81 2nef s VAL 74 CO 0.23 -0.27 0.29 -2.65 -0.31 0.00 0.00 175.10 172.39 2nef n PRO 75 N -0.85 0.00 -1.64 4.82 -0.02 -1.26 -4.53 135.00 131.52 2nef n PRO 75 Ca -0.03 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.08 2nef n PRO 75 Cb 0.54 -0.78 -0.03 0.00 -0.02 0.00 0.00 33.50 33.21 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 2.70 3.40 -0.26 2.45 1.43 -1.26 -4.83 118.68 122.30 2nef s LEU 76 Ca 0.49 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 2nef s LEU 76 Cb -0.65 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2nef s LEU 76 CO 0.45 -2.68 1.11 -0.13 0.23 0.00 0.00 176.35 175.34 2nef s ARG 77 N 7.82 4.14 -0.66 1.70 0.52 -1.26 -4.91 118.95 126.29 2nef s ARG 77 Ca 0.93 1.27 -0.38 0.00 -0.52 0.00 0.00 55.73 57.04 2nef s ARG 77 Cb -0.18 -3.72 -0.19 0.00 0.52 0.00 0.00 34.95 31.38 2nef s ARG 77 CO 0.26 -0.80 2.36 -2.30 0.02 0.00 0.00 175.30 174.84 2nef n PRO 78 N 6.69 0.16 -1.95 3.54 -0.02 -1.26 -4.81 135.00 137.35 2nef n PRO 78 Ca 0.13 0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 2nef n PRO 78 Cb 0.46 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 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 7.21 3.62 0.19 -0.52 1.75 -1.26 -4.97 119.30 125.31 2nef s MET 79 Ca 1.24 1.79 -0.11 0.00 -1.25 0.00 0.00 55.69 57.36 2nef s MET 79 Cb -1.29 -4.15 -0.07 0.00 2.84 0.00 0.00 34.83 32.17 2nef s MET 79 CO 0.56 -1.52 0.53 0.95 -0.65 0.00 0.00 175.02 174.89 2nef s THR 80 N 6.04 4.93 0.25 10.11 -4.23 -1.26 -4.90 115.64 126.57 2nef s THR 80 Ca 0.80 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.86 2nef s THR 80 Cb -0.28 -3.66 0.22 0.00 1.34 0.00 0.00 72.50 70.12 2nef s THR 80 CO 0.33 0.06 1.75 0.10 -0.54 0.00 0.00 174.62 176.33 2nef h TYR 81 N 2.98 0.66 -0.04 3.99 -0.00 -2.01 2.56 116.97 125.11 2nef h TYR 81 Ca -0.48 0.03 0.01 0.00 0.00 0.00 0.00 58.73 58.30 2nef h TYR 81 Cb 1.18 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.73 2nef h TYR 81 CO 0.63 0.15 0.03 -0.22 -0.00 0.00 0.00 178.16 178.75 2nef h LYS 82 N 0.56 0.02 -0.49 0.10 1.63 -1.98 0.09 116.57 116.50 2nef h LYS 82 Ca 0.43 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.19 2nef h LYS 82 Cb 0.59 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2nef h LYS 82 CO -0.36 0.01 0.15 0.00 -3.45 0.00 0.00 179.45 175.80 2nef h ALA 83 N 1.98 1.33 -0.01 5.00 0.00 0.41 -0.54 119.26 127.43 2nef h ALA 83 Ca 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2nef h ALA 83 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2nef h ALA 83 CO -0.00 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.73 2nef h ALA 84 N 1.45 0.01 -0.41 0.00 0.00 -0.25 0.30 119.26 120.36 2nef h ALA 84 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2nef h ALA 84 Cb 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2nef h ALA 84 CO -0.01 -0.38 0.15 0.28 0.00 0.00 0.00 179.25 179.29 2nef h VAL 85 N -0.19 1.21 -0.49 0.00 2.07 -1.32 0.28 116.25 117.81 2nef h VAL 85 Ca 0.00 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2nef h VAL 85 Cb 0.21 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2nef h VAL 85 CO -0.00 0.24 0.25 0.44 0.02 0.00 0.00 177.57 178.51 2nef h ASP 86 N 0.52 0.63 -0.68 0.57 3.32 -1.02 -2.36 116.42 117.40 2nef h ASP 86 Ca 0.13 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2nef h ASP 86 Cb 0.23 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2nef h ASP 86 CO -0.01 0.57 0.39 0.25 -1.72 0.00 0.00 179.24 178.72 2nef h LEU 87 N 0.65 0.83 -0.66 1.55 5.85 -0.01 -0.30 115.31 123.21 2nef h LEU 87 Ca 0.17 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.92 2nef h LEU 87 Cb 0.10 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 2nef h LEU 87 CO -0.02 0.67 0.24 0.77 -0.34 0.00 0.00 178.44 179.75 2nef h SER 88 N 0.93 0.21 0.19 1.25 4.64 0.06 -0.62 113.55 120.19 2nef h SER 88 Ca 0.24 0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 2nef h SER 88 Cb 0.01 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2nef h SER 88 CO -0.04 0.10 -0.71 0.45 -0.87 0.00 0.00 176.83 175.76 2nef h HIS 89 N 0.40 0.62 0.47 4.77 3.86 -1.13 -2.20 115.15 121.94 2nef h HIS 89 Ca 0.35 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2nef h HIS 89 Cb 0.48 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 2nef h HIS 89 CO -0.18 1.03 -0.47 0.35 0.86 0.00 0.00 177.93 179.51 2nef h PHE 90 N 0.32 -1.31 0.00 2.45 3.57 0.41 -0.66 116.94 121.73 2nef h PHE 90 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2nef h PHE 90 Cb 1.29 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 2nef h PHE 90 CO 0.05 -0.64 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.36 2nef h LEU 91 N -0.95 0.00 -1.81 0.59 3.38 -1.33 -1.44 115.31 113.75 2nef h LEU 91 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2nef h LEU 91 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2nef h LEU 91 CO -0.07 0.06 -0.15 0.50 0.09 0.00 0.00 178.44 178.88 2nef h LYS 92 N 0.00 0.00 0.00 1.13 3.64 -0.47 0.34 116.57 121.21 2nef h LYS 92 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2nef h LYS 92 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2nef h LYS 92 CO 0.01 0.15 0.00 0.39 -2.27 0.00 0.00 179.45 177.73 2nef n GLU 93 N -3.91 0.00 0.11 1.90 1.02 -0.54 -4.33 120.64 114.88 2nef n GLU 93 Ca -0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 2nef n GLU 93 Cb 0.24 -0.47 -0.15 0.00 -0.02 0.00 0.00 31.44 31.04 2nef n GLU 93 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2nef h LYS 94 N 0.00 0.44 0.00 3.49 2.10 -1.69 -3.39 116.57 117.52 2nef h LYS 94 Ca 0.00 -0.75 0.00 0.00 -2.00 0.00 0.00 60.65 57.90 2nef h LYS 94 Cb 0.00 0.28 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2nef h LYS 94 CO 0.00 1.35 0.00 0.41 -2.00 0.00 0.00 179.45 179.21 2nef n GLY 95 N 1.76 -3.35 0.76 0.07 0.00 0.04 -4.92 105.19 99.55 2nef n GLY 95 Ca -0.20 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.90 0.64 0.09 -0.02 0.00 0.99 -4.91 105.19 101.09 2nef n GLY 96 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 -9.56 0.99 5.85 -1.91 -3.42 115.31 107.25 2nef h LEU 97 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 2nef h LEU 97 Cb 0.65 0.00 0.14 0.00 0.37 0.00 0.00 40.66 41.82 2nef h LEU 97 CO 0.00 0.77 -0.01 1.21 -0.34 0.00 0.00 178.44 180.06 2nef n GLU 98 N -3.20 1.06 -0.46 1.25 2.13 -1.26 -0.55 120.64 119.62 2nef n GLU 98 Ca -0.03 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2nef n GLU 98 Cb 0.87 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 1.38 0.00 3.56 8.31 0.00 0.41 -4.86 105.19 113.99 2nef n GLY 99 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 3.27 -0.29 0.99 1.98 0.28 -4.75 118.68 120.16 2nef s LEU 100 Ca 0.00 0.11 -0.31 0.00 -2.89 0.00 0.00 54.13 51.04 2nef s LEU 100 Cb 0.00 -2.66 -0.08 0.00 0.66 0.00 0.00 46.19 44.11 2nef s LEU 100 CO 0.00 -2.08 2.22 -0.38 -1.89 0.00 0.00 176.35 174.22 2nef n ILE 101 N 6.90 0.26 -1.80 6.68 2.08 -1.26 -3.47 119.36 128.74 2nef n ILE 101 Ca 0.14 -0.38 -0.43 0.00 0.56 0.00 0.00 62.75 62.63 2nef n ILE 101 Cb 0.50 -2.16 -0.03 0.00 -0.75 0.00 0.00 39.64 37.21 2nef n ILE 101 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2nef s HIS 102 N 8.02 1.48 0.00 1.39 5.65 1.09 -4.87 115.29 128.05 2nef s HIS 102 Ca 1.05 0.57 0.00 0.00 0.25 0.00 0.00 55.06 56.93 2nef s HIS 102 Cb -0.57 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 26.81 2nef s HIS 102 CO 0.41 -3.54 0.28 0.45 -0.65 0.00 0.00 174.74 171.69 2nef n SER 103 N 10.95 0.00 0.00 9.88 2.88 -1.26 -3.42 113.62 132.65 2nef n SER 103 Ca 0.26 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2nef n SER 103 Cb 0.46 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nef n GLN 104 N -0.67 0.00 0.00 -1.46 10.64 -1.26 -4.86 117.38 119.77 2nef n GLN 104 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2nef n GLN 104 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2nef n GLN 104 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2nef n ARG 105 N 0.00 0.00 0.14 2.61 1.85 -1.26 -4.85 116.66 115.15 2nef n ARG 105 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 57.85 57.02 2nef n ARG 105 Cb 0.22 -0.15 0.75 0.00 -1.05 0.00 0.00 32.46 32.23 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2nef h ARG 106 N 0.00 0.00 -0.13 2.89 -0.00 -1.94 -1.60 114.38 113.60 2nef h ARG 106 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2nef h ARG 106 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 2nef h ARG 106 CO 0.00 0.00 0.05 0.37 0.00 0.00 0.00 179.97 180.39 2nef h GLN 107 N 0.00 0.19 -0.40 0.04 4.15 -1.98 -2.13 115.11 114.98 2nef h GLN 107 Ca 0.13 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.56 2nef h GLN 107 Cb 0.60 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 2nef h GLN 107 CO -0.00 0.29 0.14 -0.44 -1.93 0.00 0.00 178.83 176.89 2nef h ASP 108 N 0.06 0.15 0.13 -0.69 3.32 -1.66 -1.70 116.42 116.03 2nef h ASP 108 Ca 0.04 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2nef h ASP 108 Cb 0.17 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2nef h ASP 108 CO -0.00 0.12 -0.31 0.40 -1.72 0.00 0.00 179.24 177.73 2nef h ILE 109 N 0.31 0.33 -0.01 0.35 1.08 -1.41 0.46 117.51 118.61 2nef h ILE 109 Ca 0.19 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 2nef h ILE 109 Cb 0.17 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2nef h ILE 109 CO -0.19 0.00 -0.29 0.25 -0.69 0.00 0.00 178.15 177.23 2nef h LEU 110 N -0.54 -0.89 -0.75 1.44 5.85 -0.95 0.75 115.31 120.22 2nef h LEU 110 Ca 0.03 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.96 2nef h LEU 110 Cb 0.57 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.85 2nef h LEU 110 CO -0.18 -0.27 0.37 0.44 -0.34 0.00 0.00 178.44 178.46 2nef h ASP 111 N -0.35 0.46 -0.05 1.25 3.32 -1.16 -1.99 116.42 117.90 2nef h ASP 111 Ca 0.01 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2nef h ASP 111 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2nef h ASP 111 CO -0.20 0.24 0.02 0.25 -1.72 0.00 0.00 179.24 177.82 2nef h LEU 112 N 0.59 0.06 -0.95 1.55 5.85 0.71 -2.55 115.31 120.57 2nef h LEU 112 Ca 0.39 -0.19 0.19 0.00 0.84 0.00 0.00 57.88 59.11 2nef h LEU 112 Cb 0.47 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.37 2nef h LEU 112 CO -0.31 0.23 0.54 -0.25 -0.34 0.00 0.00 178.44 178.31 2nef h TRP 113 N -0.11 0.93 -0.90 1.25 7.01 0.11 0.27 115.95 124.51 2nef h TRP 113 Ca 0.01 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.06 2nef h TRP 113 Cb 0.19 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 2nef h TRP 113 CO -0.01 0.15 0.58 0.82 -2.79 0.00 0.00 178.44 177.20 2nef h ILE 114 N 0.65 1.24 0.49 2.65 1.08 -0.98 -2.88 117.51 119.76 2nef h ILE 114 Ca 0.56 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 2nef h ILE 114 Cb 0.92 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2nef h ILE 114 CO -0.42 0.23 -0.24 0.22 -0.69 0.00 0.00 178.15 177.26 2nef h TYR 115 N 1.23 -0.61 0.00 1.37 3.20 -0.20 -2.48 116.97 119.48 2nef h TYR 115 Ca 0.33 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 2nef h TYR 115 Cb -0.12 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2nef h TYR 115 CO 0.00 -0.30 0.00 0.72 -1.64 0.00 0.00 178.16 176.94 2nef n HIS 116 N -5.30 0.00 0.00 -3.82 8.25 -0.95 -2.40 115.22 111.01 2nef n HIS 116 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2nef n HIS 116 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.87 0.00 1.69 1.59 -2.24 -0.94 -3.30 114.28 110.20 2nef n THR 117 Ca 0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 2nef n THR 117 Cb 0.01 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.85 -3.56 -0.78 3.00 -1.18 -4.27 117.38 111.44 2nef n GLN 118 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2nef n GLN 118 Cb 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 30.24 29.06 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 0.51 -0.54 3.75 1.08 0.00 -1.01 -4.47 105.19 104.52 2nef n GLY 119 Ca 0.10 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.29 3.65 0.29 1.61 2.02 -1.25 -4.46 117.35 115.92 2nef s TYR 120 Ca 0.56 1.70 -0.28 0.00 -0.37 0.00 0.00 57.07 58.68 2nef s TYR 120 Cb -0.25 -3.24 -0.09 0.00 -0.40 0.00 0.00 41.96 37.98 2nef s TYR 120 CO 0.69 -0.42 0.94 0.12 -1.57 0.00 0.00 175.55 175.31 2nef s PHE 121 N -0.83 3.82 0.00 2.71 5.36 -1.26 -4.53 117.98 123.25 2nef s PHE 121 Ca 0.46 1.84 -0.00 0.00 -0.96 0.00 0.00 56.93 58.27 2nef s PHE 121 Cb -0.30 -2.95 -0.00 0.00 -0.34 0.00 0.00 43.02 39.43 2nef s PHE 121 CO 0.38 0.32 1.46 -0.35 -1.46 0.00 0.00 175.22 175.56 2nef n PRO 122 N 0.97 0.73 -0.36 10.12 -0.04 -1.26 -4.24 135.00 140.92 2nef n PRO 122 Ca 0.00 -0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2nef n PRO 122 Cb 0.49 -1.14 0.16 0.00 -0.04 0.00 0.00 33.50 32.97 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 1.64 2.89 0.00 3.54 5.75 -1.26 -3.69 116.55 125.42 2nef n ASP 123 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2nef n ASP 123 Cb 0.36 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 0.25 0.00 -2.41 2.11 4.27 -1.26 -5.00 117.44 115.41 2nef n TRP 124 Ca 0.11 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 2nef n TRP 124 Cb 0.63 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.55 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -1.22 3.43 0.19 -2.67 -2.07 -1.24 -4.60 119.66 111.49 2nef s GLN 125 Ca 0.00 0.60 -0.19 0.00 -1.82 0.00 0.00 55.36 53.95 2nef s GLN 125 Cb 0.00 -4.07 0.03 0.00 -1.09 0.00 0.00 33.01 27.89 2nef s GLN 125 CO 0.00 -1.76 0.55 -0.80 -1.32 0.00 0.00 175.29 171.96 2nef s ASN 126 N 4.01 -0.31 0.34 12.60 0.01 -1.26 -5.09 114.94 125.24 2nef s ASN 126 Ca 0.54 -0.40 -0.17 0.00 -0.71 0.00 0.00 52.86 52.11 2nef s ASN 126 Cb -0.11 0.59 0.06 0.00 0.41 0.00 0.00 41.25 42.20 2nef s ASN 126 CO 0.28 -1.06 0.84 -0.31 -1.51 0.00 0.00 177.10 175.34 2nef s TYR 127 N -3.85 0.09 0.75 2.20 1.51 -1.26 -2.78 117.35 114.00 2nef s TYR 127 Ca 0.08 -0.70 -0.14 0.00 -1.01 0.00 0.00 57.07 55.29 2nef s TYR 127 Cb -0.01 0.81 0.05 0.00 -0.11 0.00 0.00 41.96 42.69 2nef s TYR 127 CO -0.04 -1.42 1.18 0.95 -1.11 0.00 0.00 175.55 175.11 2nef s THR 128 N -2.38 2.45 0.00 -0.71 -4.23 -0.97 -4.77 115.64 105.03 2nef s THR 128 Ca 0.16 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 2nef s THR 128 Cb -0.05 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2nef s THR 128 CO 0.10 -0.13 0.00 -2.65 -0.54 0.00 0.00 174.62 171.40 2nef n PRO 129 N -2.90 0.00 -2.65 3.99 -0.02 -1.26 -4.71 135.00 127.45 2nef n PRO 129 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 2nef n PRO 129 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.02 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 2.45 3.53 -1.23 0.00 -1.26 -5.11 105.19 103.57 2nef n GLY 130 Ca 0.00 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.33 -1.02 0.00 1.61 -0.04 -1.26 -5.03 135.00 128.92 2nef n PRO 131 Ca 0.14 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 2nef n PRO 131 Cb 0.81 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 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 -2.80 -1.58 3.10 0.55 0.00 -1.26 -4.67 105.19 98.53 2nef n GLY 132 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -3.15 -0.61 5.41 -1.26 -4.88 119.36 114.87 2nef n ILE 133 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 2nef n ILE 133 Cb 0.00 -0.84 -0.00 0.00 -0.71 0.00 0.00 39.64 38.09 2nef n ILE 133 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2nef s ARG 134 N -4.61 0.44 0.26 0.38 3.52 -1.14 -4.98 118.95 112.81 2nef s ARG 134 Ca 0.57 0.55 -0.14 0.00 -0.13 0.00 0.00 55.73 56.58 2nef s ARG 134 Cb -0.10 0.28 -0.08 0.00 -1.56 0.00 0.00 34.95 33.49 2nef s ARG 134 CO 0.48 -0.69 0.66 0.71 -0.81 0.00 0.00 175.30 175.65 2nef s TYR 135 N 2.88 3.45 -0.06 5.12 1.51 -1.26 -2.78 117.35 126.20 2nef s TYR 135 Ca 0.15 1.13 -0.30 0.00 -1.01 0.00 0.00 57.07 57.04 2nef s TYR 135 Cb -0.10 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.28 2nef s TYR 135 CO -0.22 0.21 1.04 -1.25 -1.11 0.00 0.00 175.55 174.22 2nef s PRO 136 N -2.69 4.45 0.51 -1.71 0.04 -1.26 -2.30 135.00 132.03 2nef s PRO 136 Ca 0.49 1.46 0.18 0.00 0.04 0.00 0.00 61.00 63.18 2nef s PRO 136 Cb -0.12 -3.51 1.30 0.00 0.04 0.00 0.00 34.50 32.20 2nef s PRO 136 CO 0.19 -0.27 2.12 -0.07 0.04 0.00 0.00 177.00 179.01 2nef h LEU 137 N 7.67 0.00-10.27 -3.56 3.38 -1.82 -3.43 115.31 107.28 2nef h LEU 137 Ca -0.35 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.18 2nef h LEU 137 Cb 1.17 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.10 2nef h LEU 137 CO 0.83 0.06 0.12 -0.89 0.09 0.00 0.00 178.44 178.65 2nef s THR 138 N -4.82 2.07 0.00 0.22 2.01 -1.26 -5.02 115.64 108.84 2nef s THR 138 Ca -0.05 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2nef s THR 138 Cb 0.16 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.34 2nef s THR 138 CO 0.65 -0.03 0.00 0.33 -0.69 0.00 0.00 174.62 174.88 2nef n PHE 139 N -4.48 0.00 0.27 4.92 -0.00 -1.26 -4.58 117.46 112.33 2nef n PHE 139 Ca 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 2nef n PHE 139 Cb 0.56 0.00 0.42 0.00 -0.00 0.00 0.00 39.48 40.46 2nef n PHE 139 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2nef h GLY 140 N 0.00 0.00 -7.34 7.13 0.00 -1.84 -3.36 103.07 97.65 2nef h GLY 140 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2nef h GLY 140 CO 0.00 0.00 1.17 0.86 0.00 0.00 0.00 176.54 178.57 2nef s TRP 141 N -4.11 1.99 -0.60 5.60 -0.00 -1.26 -3.54 118.94 117.02 2nef s TRP 141 Ca -0.02 0.28 0.01 0.00 -0.00 0.00 0.00 56.10 56.37 2nef s TRP 141 Cb 0.06 -4.32 0.08 0.00 -0.00 0.00 0.00 33.47 29.29 2nef s TRP 141 CO 0.19 -2.07 0.80 0.00 -0.00 0.00 0.00 176.95 175.87 2nef s TYR 143 N -0.86 3.17 -0.06 0.00 2.02 -1.26 -1.95 117.35 118.41 2nef s TYR 143 Ca 0.06 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 2nef s TYR 143 Cb 0.04 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 2nef s TYR 143 CO 0.01 -0.42 -0.14 -1.59 -1.57 0.00 0.00 175.55 171.85 2nef s LYS 144 N 1.63 1.69 0.28 -0.62 -2.85 -1.20 -4.52 119.74 114.15 2nef s LYS 144 Ca 0.05 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.26 2nef s LYS 144 Cb -0.17 -1.42 -0.09 0.00 -2.06 0.00 0.00 37.83 34.09 2nef s LYS 144 CO 0.06 0.10 0.97 -0.51 0.10 0.00 0.00 175.35 176.07 2nef s LEU 145 N 0.43 4.53 -0.21 2.77 1.43 -1.12 -1.18 118.68 125.33 2nef s LEU 145 Ca -0.11 1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 2nef s LEU 145 Cb -0.14 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.39 2nef s LEU 145 CO 0.03 0.02 0.55 -0.69 0.23 0.00 0.00 176.35 176.49 2nef s VAL 146 N -1.32 -0.01 1.12 -1.59 1.01 -1.04 -2.89 120.40 115.69 2nef s VAL 146 Ca 0.45 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 2nef s VAL 146 Cb -0.25 -0.78 0.25 0.00 0.00 0.00 0.00 36.38 35.60 2nef s VAL 146 CO 0.31 0.01 1.06 -2.16 0.00 0.00 0.00 175.10 174.32 2nef s PRO 147 N 0.82 -0.54 0.00 2.72 0.04 -1.26 -3.06 135.00 133.72 2nef s PRO 147 Ca -0.04 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2nef s PRO 147 Cb -0.05 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2nef s PRO 147 CO -0.06 -3.38 0.00 0.28 0.04 0.00 0.00 177.00 173.87 2nef n VAL 148 N -4.63 0.00 -1.34 -0.36 0.31 -1.26 -4.90 118.33 106.15 2nef n VAL 148 Ca 0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.05 2nef n VAL 148 Cb 0.57 -0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.60 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 0.02 2.03 0.00 5.55 2.02 -1.26 -5.00 118.70 122.05 2nef s GLU 149 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.65 2nef s GLU 149 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.40 2nef s GLU 149 CO 0.00 -1.90 0.00 -2.30 0.02 0.00 0.00 175.26 171.08 2nef n PRO 150 N -2.97 3.39 -1.69 0.39 -0.02 -1.26 -4.78 135.00 128.07 2nef n PRO 150 Ca 0.13 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 2nef n PRO 150 Cb 0.51 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.03 2nef n PRO 150 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 151 N 0.00 1.34 -1.62 -0.52 -0.58 -1.26 -4.83 120.64 113.17 2nef n GLU 151 Ca 0.00 0.50 -0.40 0.00 -0.42 0.00 0.00 57.16 56.84 2nef n GLU 151 Cb 0.00 -2.39 -0.02 0.00 -0.57 0.00 0.00 31.44 28.47 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2nef n LYS 152 N -0.98 3.77 0.00 3.49 4.76 -1.26 -4.92 118.16 123.02 2nef n LYS 152 Ca 0.12 -2.66 0.00 0.00 -2.87 0.00 0.00 58.31 52.90 2nef n LYS 152 Cb 0.45 -2.85 0.00 0.00 -1.84 0.00 0.00 35.03 30.79 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2nef n LEU 153 N 3.57 0.00 -4.60 -0.35 4.77 -1.26 -4.93 117.00 114.20 2nef n LEU 153 Ca 0.68 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 56.23 2nef n LEU 153 Cb 0.27 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2nef n LEU 153 CO 0.82 0.00 1.18 -0.70 -1.33 0.00 0.00 177.39 177.37 2nef s GLU 154 N 0.42 3.62 0.00 3.23 2.56 -1.26 -4.57 118.70 122.69 2nef s GLU 154 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 54.97 55.82 2nef s GLU 154 Cb 0.00 -3.99 0.00 0.00 2.00 0.00 0.00 34.13 32.14 2nef s GLU 154 CO 0.00 -1.51 0.00 -1.91 -0.56 0.00 0.00 175.26 171.28 2nef n GLU 155 N 8.00 0.00 -3.65 4.30 2.13 -1.26 -5.12 120.64 125.04 2nef n GLU 155 Ca 0.15 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.90 2nef n GLU 155 Cb 0.48 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.12 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nef s ALA 156 N 0.00 -1.69 0.00 4.31 0.00 -1.26 -5.14 121.76 117.98 2nef s ALA 156 Ca 0.00 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2nef s ALA 156 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2nef s ALA 156 CO 0.00 -0.44 0.00 0.09 0.00 0.00 0.00 175.76 175.41 2nef n ASN 157 N 4.51 0.00 -4.66 0.00 3.02 -1.26 -4.77 115.26 112.10 2nef n ASN 157 Ca -0.19 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.91 2nef n ASN 157 Cb 0.56 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 2nef n ASN 157 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2nef n LYS 158 N 0.00 1.86 -1.44 3.52 2.85 -1.26 -4.88 118.16 118.81 2nef n LYS 158 Ca 0.00 0.66 0.01 0.00 -1.05 0.00 0.00 58.31 57.92 2nef n LYS 158 Cb 0.00 -2.23 -0.00 0.00 -0.65 0.00 0.00 35.03 32.15 2nef n LYS 158 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2nef n ASP 174 N 1.60 0.42 0.04 -5.58 5.68 -1.26 -4.90 116.55 112.55 2nef n ASP 174 Ca 0.10 -2.01 -0.14 0.00 -0.50 0.00 0.00 54.79 52.24 2nef n ASP 174 Cb 0.32 -0.12 -0.14 0.00 -1.14 0.00 0.00 41.12 40.04 2nef n ASP 174 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2nef h ASP 175 N 0.79 0.26 0.00 -1.12 3.32 -2.01 -3.38 116.42 114.29 2nef h ASP 175 Ca -0.32 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.27 2nef h ASP 175 Cb 1.72 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 2nef h ASP 175 CO -0.01 1.33 -0.70 -0.81 -1.72 0.00 0.00 179.24 177.34 2nef n PRO 176 N -3.35 0.48 -1.24 3.56 -0.04 -1.26 -4.40 135.00 128.74 2nef n PRO 176 Ca -0.16 0.54 -0.30 0.00 -0.04 0.00 0.00 63.50 63.55 2nef n PRO 176 Cb 1.03 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 32.71 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 -4.57 3.14 -2.56 0.54 1.02 -1.26 -4.89 120.64 112.07 2nef n GLU 177 Ca -0.13 -1.85 -0.42 0.00 -0.02 0.00 0.00 57.16 54.73 2nef n GLU 177 Cb 0.37 -2.51 -0.02 0.00 -0.02 0.00 0.00 31.44 29.25 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2nef s ARG 178 N 1.55 3.54 -0.38 3.49 3.52 -1.26 -4.97 118.95 124.43 2nef s ARG 178 Ca 0.68 0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 56.35 2nef s ARG 178 Cb 0.23 -4.01 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2nef s ARG 178 CO -0.05 -1.65 1.33 -1.21 -0.81 0.00 0.00 175.30 172.91 2nef s GLU 179 N 4.92 3.72 0.00 5.12 8.01 -1.26 -4.98 118.70 134.23 2nef s GLU 179 Ca 0.46 0.98 0.00 0.00 0.01 0.00 0.00 54.97 56.42 2nef s GLU 179 Cb -0.08 -3.95 0.00 0.00 -4.31 0.00 0.00 34.13 25.79 2nef s GLU 179 CO 0.27 -1.38 0.00 0.28 0.01 0.00 0.00 175.26 174.44 2nef n VAL 180 N 6.72 0.00 -4.65 2.63 0.31 -1.26 -4.88 118.33 117.20 2nef n VAL 180 Ca 0.15 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.16 2nef n VAL 180 Cb 0.48 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.29 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.00 2.94 0.01 7.52 1.43 -1.22 -4.44 118.68 124.92 2nef s LEU 181 Ca 0.00 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2nef s LEU 181 Cb 0.00 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2nef s LEU 181 CO 0.00 0.31 -0.25 -1.83 0.23 0.00 0.00 176.35 174.81 2nef s GLU 182 N -1.11 2.02 -0.46 1.70 -1.05 -1.17 0.35 118.70 118.97 2nef s GLU 182 Ca 0.14 -0.99 -0.28 0.00 -0.15 0.00 0.00 54.97 53.69 2nef s GLU 182 Cb -0.11 -2.05 -0.00 0.00 -0.44 0.00 0.00 34.13 31.53 2nef s GLU 182 CO 0.04 0.54 1.57 -1.58 0.95 0.00 0.00 175.26 176.79 2nef s TRP 183 N -0.72 2.12 -0.56 4.83 0.51 -1.23 -2.48 118.94 121.41 2nef s TRP 183 Ca 0.11 0.62 -0.21 0.00 -2.12 0.00 0.00 56.10 54.50 2nef s TRP 183 Cb -0.10 -4.26 0.06 0.00 -0.81 0.00 0.00 33.47 28.36 2nef s TRP 183 CO 0.01 -2.27 0.79 0.50 -0.51 0.00 0.00 176.95 175.47 2nef s ARG 184 N 5.55 3.18 0.22 4.98 3.52 -0.32 -0.45 118.95 135.63 2nef s ARG 184 Ca 0.65 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 2nef s ARG 184 Cb -0.15 -4.13 -0.09 0.00 -1.56 0.00 0.00 34.95 29.02 2nef s ARG 184 CO 0.29 -1.45 1.31 0.12 -0.81 0.00 0.00 175.30 174.77 2nef s PHE 185 N 3.30 3.22 -0.46 5.12 2.19 -1.26 -3.20 117.98 126.89 2nef s PHE 185 Ca 0.21 1.24 0.07 0.00 0.33 0.00 0.00 56.93 58.77 2nef s PHE 185 Cb -0.17 -3.62 0.25 0.00 -1.31 0.00 0.00 43.02 38.16 2nef s PHE 185 CO 0.13 -1.91 0.79 -3.47 1.83 0.00 0.00 175.22 172.60 2nef n ASP 186 N 2.34 -1.99 0.13 6.13 2.03 -0.82 -4.97 116.55 119.39 2nef n ASP 186 Ca 0.05 -3.15 0.03 0.00 0.52 0.00 0.00 54.79 52.24 2nef n ASP 186 Cb 0.42 1.13 0.14 0.00 -0.72 0.00 0.00 41.12 42.09 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 0.13 0.24 1.67 2.88 -1.26 0.40 113.62 119.20 2nef n SER 187 Ca 0.12 0.34 0.17 0.00 -1.33 0.00 0.00 58.87 58.17 2nef n SER 187 Cb 0.60 -0.22 0.83 0.00 -0.75 0.00 0.00 64.21 64.68 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 0.00 0.00 -1.46 -0.00 -1.93 -0.10 114.38 110.89 2nef h ARG 188 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2nef h ARG 188 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.98 2nef h ARG 188 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 179.97 179.86 2nef n LEU 189 N -2.69 0.00 0.00 3.04 -0.00 0.16 -2.31 117.00 115.21 2nef n LEU 189 Ca -0.01 0.10 0.09 0.00 -0.00 0.00 0.00 56.01 56.19 2nef n LEU 189 Cb 0.11 -0.10 0.51 0.00 -0.00 0.00 0.00 43.42 43.95 2nef n LEU 189 CO 0.17 -0.08 0.77 0.00 -0.00 0.00 0.00 177.39 178.26 2nef n ALA 190 N -1.10 2.10 0.00 1.96 0.00 -0.05 -3.70 120.51 119.72 2nef n ALA 190 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 190 Cb 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.14 0.00 -1.44 0.00 1.16 -0.98 -5.01 117.46 110.05 2nef n PHE 191 Ca 0.11 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.40 2nef n PHE 191 Cb 0.11 0.00 0.19 0.00 -1.61 0.00 0.00 39.48 38.16 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2nef s HIS 192 N -0.84 1.60 -0.36 2.97 2.46 -1.22 -5.02 115.29 114.88 2nef s HIS 192 Ca 0.00 0.63 0.13 0.00 0.47 0.00 0.00 55.06 56.29 2nef s HIS 192 Cb 0.00 -3.56 0.42 0.00 -0.13 0.00 0.00 32.58 29.31 2nef s HIS 192 CO 0.00 -2.99 1.17 1.58 -2.47 0.00 0.00 174.74 172.03 2nef n HIS 193 N -4.14 -0.85 -0.10 3.88 -0.00 -1.26 -4.93 115.22 107.82 2nef n HIS 193 Ca 0.10 -2.33 0.26 0.00 0.46 0.00 0.00 57.72 56.22 2nef n HIS 193 Cb 0.59 0.71 0.72 0.00 -0.12 0.00 0.00 29.99 31.89 2nef n HIS 193 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2nef h MET 194 N 2.46 0.00 -0.83 1.57 -0.00 -1.96 0.21 114.93 116.37 2nef h MET 194 Ca -0.19 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.56 2nef h MET 194 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.78 2nef h MET 194 CO 0.19 0.00 0.52 0.00 -0.00 0.00 0.00 176.91 177.62 2nef h ALA 195 N 1.52 1.13 -0.14 -3.00 0.00 -1.92 0.32 119.26 117.16 2nef h ALA 195 Ca 0.36 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 2nef h ALA 195 Cb 1.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2nef h ALA 195 CO -0.00 0.28 -0.72 -0.09 0.00 0.00 0.00 179.25 178.72 2nef h ARG 196 N 0.96 0.65 0.00 0.00 2.43 -1.27 -2.78 114.38 114.37 2nef h ARG 196 Ca 0.36 -0.50 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 2nef h ARG 196 Cb 0.13 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2nef h ARG 196 CO -0.16 1.12 -0.40 0.93 -1.51 0.00 0.00 179.97 179.95 2nef h GLU 197 N 0.45 0.00 0.00 0.20 5.08 -1.18 -3.32 114.58 115.81 2nef h GLU 197 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2nef h GLU 197 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2nef h GLU 197 CO 0.14 0.40 0.00 1.28 -1.00 0.00 0.00 179.01 179.83 2nef n LEU 198 N -3.66 0.96 -3.42 1.33 4.77 0.10 -4.89 117.00 112.20 2nef n LEU 198 Ca -0.01 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 2nef n LEU 198 Cb 0.50 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2nef n LEU 198 CO 0.37 -0.32 -0.21 -1.00 -1.33 0.00 0.00 177.39 174.90 2nef s HIS 199 N -0.83 -0.17 -0.16 -1.77 3.76 -1.06 -5.00 115.29 110.07 2nef s HIS 199 Ca 0.00 -0.61 0.17 0.00 -0.15 0.00 0.00 55.06 54.47 2nef s HIS 199 Cb 0.00 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 2nef s HIS 199 CO 0.00 -0.91 1.13 -1.00 -0.85 0.00 0.00 174.74 173.11 2nef h PRO 200 N 7.84 0.00 0.00 8.40 0.13 -1.71 -3.31 132.00 143.35 2nef h PRO 200 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2nef h PRO 200 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2nef h PRO 200 CO 0.31 0.34 0.00 -1.91 -0.23 0.00 0.00 178.00 176.51 2nef n GLU 201 N -3.02 0.00 0.20 0.86 2.13 -1.26 -1.00 120.64 118.56 2nef n GLU 201 Ca -0.03 0.48 0.13 0.00 0.66 0.00 0.00 57.16 58.39 2nef n GLU 201 Cb 0.76 -1.51 0.27 0.00 0.27 0.00 0.00 31.44 31.22 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 0.00 -0.52 4.31 -1.99 -1.99 -3.25 116.97 113.54 2nef h TYR 202 Ca 0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.39 2nef h TYR 202 Cb 0.02 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.61 2nef h TYR 202 CO 0.00 0.00 0.42 1.19 -0.00 0.00 0.00 178.16 179.77 2nef n PHE 203 N -2.90 1.55 1.71 4.88 3.72 -0.17 -4.31 117.46 121.94 2nef n PHE 203 Ca 0.04 -1.98 0.15 0.00 -0.05 0.00 0.00 57.45 55.61 2nef n PHE 203 Cb 0.49 -0.99 0.69 0.00 -0.94 0.00 0.00 39.48 38.73 2nef n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2nef n LYS 204 N 0.39 1.38 0.00 -1.08 4.81 -1.23 -4.83 118.16 117.60 2nef n LYS 204 Ca 0.32 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 2nef n LYS 204 Cb 0.58 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.15 2nef n LYS 204 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2nef n ASN 205 N -0.32 0.00 -0.11 3.14 4.13 -1.26 -5.22 115.26 115.61 2nef n ASN 205 Ca 0.21 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.62 2nef n ASN 205 Cb 0.25 0.00 0.85 0.00 -1.54 0.00 0.00 39.78 39.34 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54