#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 -2.22 0.00 -0.00 -1.26 -4.36 117.44 109.60 2nef n TRP 57 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.07 2nef n TRP 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2nef n TRP 57 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2nef n LEU 58 N 0.00 6.31 -2.12 5.87 4.77 -1.26 -4.81 117.00 125.76 2nef n LEU 58 Ca 0.00 -4.32 -0.09 0.00 -0.03 0.00 0.00 56.01 51.57 2nef n LEU 58 Cb 0.00 -1.60 -0.12 0.00 -2.33 0.00 0.00 43.42 39.36 2nef n LEU 58 CO 0.00 1.01 1.31 -1.84 -1.33 0.00 0.00 177.39 176.54 2nef n GLU 59 N 5.60 1.45 0.00 3.23 0.28 -1.26 -4.87 120.64 125.08 2nef n GLU 59 Ca 0.45 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.74 2nef n GLU 59 Cb 0.40 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.42 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nef n ALA 60 N 2.61 0.00 0.23 -1.84 0.00 -1.26 -4.90 120.51 115.35 2nef n ALA 60 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.87 2nef n ALA 60 Cb 0.67 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.56 2nef n ALA 60 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2nef h GLN 61 N 0.00 0.00 -7.00 0.00 7.50 -2.05 -3.45 115.11 110.11 2nef h GLN 61 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 2nef h GLN 61 Cb 0.00 0.00 0.20 0.00 0.05 0.00 0.00 27.48 27.73 2nef h GLN 61 CO 0.00 0.14 -0.18 -1.91 -1.50 0.00 0.00 178.83 175.38 2nef n GLU 62 N -3.23 -0.27 -1.60 1.46 2.13 -1.26 -4.81 120.64 113.05 2nef n GLU 62 Ca 0.01 -0.02 -0.48 0.00 0.66 0.00 0.00 57.16 57.33 2nef n GLU 62 Cb 0.43 -2.10 -0.04 0.00 0.27 0.00 0.00 31.44 30.01 2nef n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2nef n GLU 63 N -2.73 1.42 -2.00 5.31 2.13 -1.26 -4.77 120.64 118.73 2nef n GLU 63 Ca 0.09 0.50 -0.29 0.00 0.66 0.00 0.00 57.16 58.13 2nef n GLU 63 Cb 0.52 -2.05 -0.05 0.00 0.27 0.00 0.00 31.44 30.14 2nef n GLU 63 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2nef s GLU 64 N -0.38 2.49 -0.13 5.31 8.01 -1.26 -4.76 118.70 127.97 2nef s GLU 64 Ca 0.72 0.05 0.02 0.00 0.01 0.00 0.00 54.97 55.76 2nef s GLU 64 Cb -0.79 -4.85 0.22 0.00 -4.31 0.00 0.00 34.13 24.40 2nef s GLU 64 CO 0.51 -3.28 1.23 -0.85 0.01 0.00 0.00 175.26 172.88 2nef n GLU 65 N 8.94 1.55 -2.90 1.61 0.00 -1.26 -4.86 120.64 123.73 2nef n GLU 65 Ca 0.35 -0.98 -0.41 0.00 0.00 0.00 0.00 57.16 56.12 2nef n GLU 65 Cb 0.48 -1.44 -0.04 0.00 0.00 0.00 0.00 31.44 30.44 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2nef s VAL 66 N -1.15 4.88 0.55 3.84 1.01 -1.26 -5.00 120.40 123.27 2nef s VAL 66 Ca 0.18 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.59 2nef s VAL 66 Cb 0.15 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2nef s VAL 66 CO 0.04 0.01 0.29 0.61 0.00 0.00 0.00 175.10 176.05 2nef n GLY 67 N 3.53 -2.11 0.11 4.51 0.00 -1.26 -4.89 105.19 105.08 2nef n GLY 67 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 0.14 0.48 -2.61 1.61 0.04 -1.98 -3.42 116.94 111.21 2nef h PHE 68 Ca -0.44 -0.34 -0.65 0.00 2.80 0.00 0.00 57.97 59.34 2nef h PHE 68 Cb 1.42 -0.02 -0.16 0.00 2.20 0.00 0.00 35.95 39.39 2nef h PHE 68 CO 0.28 1.26 0.57 -1.25 -0.60 0.00 0.00 178.31 178.58 2nef s PRO 69 N -2.70 3.22 0.15 1.51 0.04 -1.26 -5.03 135.00 130.92 2nef s PRO 69 Ca -0.04 -1.10 -0.18 0.00 0.04 0.00 0.00 61.00 59.72 2nef s PRO 69 Cb 0.07 -4.40 -0.07 0.00 0.04 0.00 0.00 34.50 30.14 2nef s PRO 69 CO 0.88 -1.78 0.63 0.14 0.04 0.00 0.00 177.00 176.91 2nef s VAL 70 N 3.62 4.69 -0.21 -0.36 -7.23 -1.26 -5.04 120.40 114.60 2nef s VAL 70 Ca 0.24 1.16 -0.22 0.00 -1.81 0.00 0.00 61.98 61.34 2nef s VAL 70 Cb -0.15 -3.86 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 2nef s VAL 70 CO 0.05 0.35 0.71 0.42 -0.31 0.00 0.00 175.10 176.32 2nef s THR 71 N -1.35 4.95 0.00 5.32 -4.23 -1.21 -5.04 115.64 114.07 2nef s THR 71 Ca 0.37 1.35 0.00 0.00 -1.18 0.00 0.00 61.69 62.22 2nef s THR 71 Cb -0.18 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.65 2nef s THR 71 CO 0.20 0.04 0.00 -0.81 -0.54 0.00 0.00 174.62 173.51 2nef n PRO 72 N 5.41 0.97 -1.54 3.99 -0.04 -1.26 -3.06 135.00 139.47 2nef n PRO 72 Ca 0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 2nef n PRO 72 Cb 0.49 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.02 0.69 -3.13 0.54 6.02 -1.26 -4.61 117.38 115.61 2nef n GLN 73 Ca 0.00 -0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.54 2nef n GLN 73 Cb 0.00 -2.96 -0.04 0.00 1.02 0.00 0.00 30.24 28.26 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 11.35 4.83 -0.07 5.09 -7.23 -1.26 -4.96 120.40 128.15 2nef s VAL 74 Ca 1.07 0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 61.51 2nef s VAL 74 Cb -0.43 -3.68 -0.15 0.00 0.56 0.00 0.00 36.38 32.69 2nef s VAL 74 CO 0.30 -0.30 0.87 -2.65 -0.31 0.00 0.00 175.10 173.00 2nef n PRO 75 N -0.74 0.00 -1.78 4.82 -0.02 -1.26 -4.69 135.00 131.32 2nef n PRO 75 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.15 2nef n PRO 75 Cb 0.53 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.87 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 0.45 3.29 0.47 2.45 1.43 -1.26 -4.94 118.68 120.56 2nef s LEU 76 Ca 0.69 0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 2nef s LEU 76 Cb -0.97 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 2nef s LEU 76 CO 0.46 -2.78 0.90 -0.13 0.23 0.00 0.00 176.35 175.03 2nef s ARG 77 N 7.77 3.91 -0.20 1.70 0.52 -1.26 -4.99 118.95 126.40 2nef s ARG 77 Ca 0.83 0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 56.55 2nef s ARG 77 Cb -0.14 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 2nef s ARG 77 CO 0.20 -0.16 1.44 -1.25 0.02 0.00 0.00 175.30 175.55 2nef s PRO 78 N -3.89 4.02 -0.02 3.54 0.04 -1.26 -4.93 135.00 132.50 2nef s PRO 78 Ca 0.56 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 2nef s PRO 78 Cb -0.10 -3.91 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 2nef s PRO 78 CO 0.30 -1.00 1.63 1.41 0.04 0.00 0.00 177.00 179.37 2nef s MET 79 N 4.09 4.20 0.21 4.56 1.75 -1.26 -4.98 119.30 127.87 2nef s MET 79 Ca 0.63 2.21 -0.13 0.00 -1.25 0.00 0.00 55.69 57.14 2nef s MET 79 Cb -0.23 -3.85 -0.07 0.00 2.84 0.00 0.00 34.83 33.51 2nef s MET 79 CO 0.23 -0.79 0.60 0.95 -0.65 0.00 0.00 175.02 175.36 2nef s THR 80 N 3.53 4.82 0.25 10.11 -4.23 -1.26 -4.90 115.64 123.96 2nef s THR 80 Ca 0.73 0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 61.99 2nef s THR 80 Cb -0.35 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.03 2nef s THR 80 CO 0.30 0.07 1.75 0.22 -0.54 0.00 0.00 174.62 176.41 2nef h TYR 81 N 3.00 0.64 0.00 3.99 3.20 -1.94 2.71 116.97 128.57 2nef h TYR 81 Ca -0.48 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 2nef h TYR 81 Cb 1.18 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 2nef h TYR 81 CO 0.63 0.13 -0.02 -0.22 -1.64 0.00 0.00 178.16 177.04 2nef h LYS 82 N 0.54 0.00 -0.55 1.82 3.64 -1.97 -0.84 116.57 119.21 2nef h LYS 82 Ca 0.44 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.75 2nef h LYS 82 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2nef h LYS 82 CO -0.38 0.02 0.09 0.00 -2.27 0.00 0.00 179.45 176.91 2nef h ALA 83 N 1.98 1.11 0.31 5.00 0.00 0.44 -0.15 119.26 127.96 2nef h ALA 83 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2nef h ALA 83 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2nef h ALA 83 CO 0.00 0.58 -0.15 0.00 0.00 0.00 0.00 179.25 179.68 2nef h ALA 84 N 1.26 -0.42 -0.52 0.00 0.00 -0.42 0.39 119.26 119.55 2nef h ALA 84 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2nef h ALA 84 Cb 0.37 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2nef h ALA 84 CO 0.01 -0.67 0.20 0.28 0.00 0.00 0.00 179.25 179.07 2nef h VAL 85 N -0.55 1.22 -0.35 0.00 2.07 -1.44 0.53 116.25 117.73 2nef h VAL 85 Ca -0.04 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2nef h VAL 85 Cb 0.40 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2nef h VAL 85 CO 0.07 0.26 0.20 0.44 0.02 0.00 0.00 177.57 178.56 2nef h ASP 86 N 0.71 0.43 -0.59 0.57 5.19 -0.92 -2.40 116.42 119.41 2nef h ASP 86 Ca 0.17 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2nef h ASP 86 Cb 0.21 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 2nef h ASP 86 CO -0.01 0.38 0.23 0.25 -3.12 0.00 0.00 179.24 176.97 2nef h LEU 87 N 0.44 0.81 -0.35 1.55 5.85 0.20 -0.29 115.31 123.53 2nef h LEU 87 Ca 0.12 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.75 2nef h LEU 87 Cb 0.04 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 2nef h LEU 87 CO -0.02 0.76 -0.27 0.77 -0.34 0.00 0.00 178.44 179.34 2nef h SER 88 N 0.81 -0.88 0.54 1.25 4.64 0.54 0.12 113.55 120.57 2nef h SER 88 Ca 0.19 0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.57 2nef h SER 88 Cb 0.20 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 2nef h SER 88 CO -0.02 -0.29 -0.51 0.45 -0.87 0.00 0.00 176.83 175.59 2nef h HIS 89 N -0.22 0.00 0.43 4.77 3.86 -1.31 -2.65 115.15 120.02 2nef h HIS 89 Ca 0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2nef h HIS 89 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2nef h HIS 89 CO -0.47 0.51 -0.29 0.35 0.86 0.00 0.00 177.93 178.90 2nef h PHE 90 N 0.00 -0.77 0.00 2.45 3.57 0.99 -1.01 116.94 122.18 2nef h PHE 90 Ca -0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2nef h PHE 90 Cb 0.92 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2nef h PHE 90 CO 0.00 -0.44 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.54 2nef h LEU 91 N -0.70 0.00 0.73 0.59 3.38 -0.96 -2.06 115.31 116.28 2nef h LEU 91 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2nef h LEU 91 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2nef h LEU 91 CO 0.03 0.03 -0.35 0.50 0.09 0.00 0.00 178.44 178.74 2nef h LYS 92 N 0.00 -0.94 0.00 1.13 3.64 -0.82 -3.20 116.57 116.38 2nef h LYS 92 Ca -0.00 0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2nef h LYS 92 Cb 0.14 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2nef h LYS 92 CO 0.00 -0.63 -0.47 0.93 -2.27 0.00 0.00 179.45 177.02 2nef h GLU 93 N -1.17 0.00 -1.52 1.90 4.39 -1.41 -3.01 114.58 113.77 2nef h GLU 93 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2nef h GLU 93 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2nef h GLU 93 CO 0.16 0.47 0.00 1.63 -1.16 0.00 0.00 179.01 180.11 2nef n LYS 94 N -3.94 0.86 0.00 2.33 4.76 -0.78 -4.81 118.16 116.58 2nef n LYS 94 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2nef n LYS 94 Cb 0.50 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 2nef n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nef n GLY 95 N 1.01 3.94 3.45 0.72 0.00 -1.14 -4.95 105.19 108.23 2nef n GLY 95 Ca 0.00 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 2nef n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nef s GLY 96 N 0.00 2.15 0.15 -0.02 0.00 -1.26 -4.34 107.32 104.00 2nef s GLY 96 Ca 0.00 -3.03 0.08 0.00 0.00 0.00 0.00 44.72 41.77 2nef s GLY 96 CO 0.00 2.01 1.35 -2.00 0.00 0.00 0.00 173.10 174.46 2nef h LEU 97 N 10.05 0.00 -9.53 0.66 5.85 -1.82 -3.43 115.31 117.09 2nef h LEU 97 Ca 0.22 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.34 2nef h LEU 97 Cb 0.96 0.00 0.11 0.00 0.37 0.00 0.00 40.66 42.10 2nef h LEU 97 CO 1.16 0.91 0.22 1.21 -0.34 0.00 0.00 178.44 181.60 2nef n GLU 98 N -3.45 1.52 -0.87 1.25 4.07 -1.26 -1.36 120.64 120.55 2nef n GLU 98 Ca -0.00 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 2nef n GLU 98 Cb 0.87 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 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 1.16 0.13 3.60 8.31 0.00 0.59 -4.87 105.19 114.11 2nef n GLY 99 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 3.59 -0.31 0.99 2.96 -0.46 -4.65 118.68 120.79 2nef s LEU 100 Ca 0.00 0.81 -0.28 0.00 -0.22 0.00 0.00 54.13 54.43 2nef s LEU 100 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 2nef s LEU 100 CO 0.00 -1.42 2.28 -0.38 -1.32 0.00 0.00 176.35 175.52 2nef n ILE 101 N 7.05 0.21 -2.00 6.68 2.08 -1.26 -2.70 119.36 129.42 2nef n ILE 101 Ca 0.16 -0.53 -0.43 0.00 0.56 0.00 0.00 62.75 62.51 2nef n ILE 101 Cb 0.48 -2.51 -0.03 0.00 -0.75 0.00 0.00 39.64 36.83 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 9.29 1.85 0.00 1.39 5.65 0.95 -4.88 115.29 129.53 2nef s HIS 102 Ca 1.02 0.55 0.00 0.00 0.25 0.00 0.00 55.06 56.88 2nef s HIS 102 Cb -0.36 -4.08 0.00 0.00 -1.18 0.00 0.00 32.58 26.96 2nef s HIS 102 CO 0.34 -3.11 0.01 0.43 -0.65 0.00 0.00 174.74 171.76 2nef n SER 103 N 9.67 0.00 0.00 9.88 7.64 -1.26 -3.44 113.62 136.11 2nef n SER 103 Ca 0.22 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2nef n SER 103 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.02 0.00 0.00 1.43 6.02 -1.26 -4.83 117.38 118.72 2nef n GLN 104 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2nef n GLN 104 Cb 0.00 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.15 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nef n ARG 105 N 0.00 0.00 -0.27 -1.09 1.74 -1.26 -4.87 116.66 110.91 2nef n ARG 105 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2nef n ARG 105 Cb 0.12 -0.31 0.12 0.00 -1.02 0.00 0.00 32.46 31.38 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 0.79 -0.18 5.56 9.65 -1.93 -0.79 114.38 127.48 2nef h ARG 106 Ca 0.00 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 2nef h ARG 106 Cb 0.34 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2nef h ARG 106 CO 0.00 0.52 -0.05 0.37 2.80 0.00 0.00 179.97 183.61 2nef h GLN 107 N 0.81 0.26 -0.85 0.20 4.15 -1.97 -1.88 115.11 115.84 2nef h GLN 107 Ca 0.34 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.80 2nef h GLN 107 Cb 0.20 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 2nef h GLN 107 CO -0.18 0.33 0.50 -0.44 -1.93 0.00 0.00 178.83 177.11 2nef h ASP 108 N 0.26 0.74 -0.61 -0.69 5.19 -1.49 -0.39 116.42 119.43 2nef h ASP 108 Ca 0.06 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2nef h ASP 108 Cb 0.26 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 2nef h ASP 108 CO 0.01 0.44 0.28 0.40 -3.12 0.00 0.00 179.24 177.25 2nef h ILE 109 N 0.86 1.22 0.00 0.35 2.04 -1.26 0.93 117.51 121.66 2nef h ILE 109 Ca 0.40 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2nef h ILE 109 Cb 0.31 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2nef h ILE 109 CO -0.22 0.26 0.00 -0.11 0.00 0.00 0.00 178.15 178.07 2nef n LEU 110 N -4.50 0.00 -0.33 1.44 7.94 -0.21 0.11 117.00 121.44 2nef n LEU 110 Ca 0.04 0.85 0.10 0.00 -1.11 0.00 0.00 56.01 55.89 2nef n LEU 110 Cb 0.14 -0.35 0.28 0.00 0.53 0.00 0.00 43.42 44.01 2nef n LEU 110 CO 0.38 -0.35 1.16 0.44 -1.11 0.00 0.00 177.39 177.91 2nef h ASP 111 N 0.00 0.69 -0.01 1.96 5.19 -1.44 -1.45 116.42 121.36 2nef h ASP 111 Ca 0.00 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2nef h ASP 111 Cb 0.00 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 2nef h ASP 111 CO 0.00 0.27 0.00 0.25 -3.12 0.00 0.00 179.24 176.64 2nef h LEU 112 N 0.72 0.01 -0.56 1.55 5.85 -0.60 -2.20 115.31 120.09 2nef h LEU 112 Ca 0.53 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 59.19 2nef h LEU 112 Cb 0.77 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 2nef h LEU 112 CO -0.37 0.18 0.03 -0.25 -0.34 0.00 0.00 178.44 177.69 2nef h TRP 113 N -0.15 0.02 -0.24 1.25 7.01 0.18 0.98 115.95 124.99 2nef h TRP 113 Ca 0.00 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.11 2nef h TRP 113 Cb 0.17 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2nef h TRP 113 CO -0.02 -0.11 0.19 0.82 -2.79 0.00 0.00 178.44 176.53 2nef h ILE 114 N 0.15 0.76 0.00 2.65 2.04 -1.14 -3.02 117.51 118.95 2nef h ILE 114 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2nef h ILE 114 Cb 0.45 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2nef h ILE 114 CO -0.45 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.70 2nef n TYR 115 N -4.28 0.00 0.26 1.37 9.36 0.34 -1.91 117.16 122.30 2nef n TYR 115 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 2nef n TYR 115 Cb 0.34 -0.41 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 2nef n TYR 115 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2nef n HIS 116 N -1.73 0.00 0.00 2.98 1.44 -1.01 -2.11 115.22 114.80 2nef n HIS 116 Ca 0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2nef n HIS 116 Cb 0.00 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.07 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2nef n THR 117 N 0.44 0.00 0.56 0.61 -2.24 -1.15 -3.32 114.28 109.18 2nef n THR 117 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2nef n THR 117 Cb 0.07 -0.16 0.30 0.00 -2.10 0.00 0.00 70.33 68.44 2nef n THR 117 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2nef h GLN 118 N 0.00 0.00 -0.09 -0.78 4.20 -1.53 -3.44 115.11 113.46 2nef h GLN 118 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2nef h GLN 118 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2nef h GLN 118 CO 0.00 0.00 -0.04 0.41 -0.67 0.00 0.00 178.83 178.53 2nef n GLY 119 N 1.30 0.53 3.73 3.46 0.00 -0.80 -4.60 105.19 108.81 2nef n GLY 119 Ca 0.05 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -1.93 3.43 0.10 1.61 2.02 -1.25 -4.70 117.35 116.63 2nef s TYR 120 Ca 0.00 1.38 -0.28 0.00 -0.37 0.00 0.00 57.07 57.80 2nef s TYR 120 Cb 0.00 -3.43 -0.06 0.00 -0.40 0.00 0.00 41.96 38.07 2nef s TYR 120 CO 0.00 -1.25 0.88 0.12 -1.57 0.00 0.00 175.55 173.73 2nef s PHE 121 N 0.21 3.80 0.00 2.71 2.19 -1.26 -4.50 117.98 121.13 2nef s PHE 121 Ca 0.54 1.68 -0.01 0.00 0.33 0.00 0.00 56.93 59.48 2nef s PHE 121 Cb -0.32 -2.95 -0.03 0.00 -1.31 0.00 0.00 43.02 38.40 2nef s PHE 121 CO 0.35 0.27 1.34 -0.35 1.83 0.00 0.00 175.22 178.65 2nef n PRO 122 N 2.64 0.67 -0.03 10.12 -0.04 -1.26 -4.11 135.00 142.98 2nef n PRO 122 Ca -0.00 -0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 2nef n PRO 122 Cb 0.49 -1.36 0.49 0.00 -0.04 0.00 0.00 33.50 33.08 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 1.97 0.63 -0.04 3.54 5.68 -1.26 -3.37 116.55 123.71 2nef n ASP 123 Ca 0.06 -1.52 -0.01 0.00 -0.50 0.00 0.00 54.79 52.81 2nef n ASP 123 Cb 0.32 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 40.16 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N -0.37 0.00 -2.40 2.11 4.27 -1.26 -4.92 117.44 114.87 2nef n TRP 124 Ca 0.15 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.33 2nef n TRP 124 Cb 0.17 -0.53 -0.02 0.00 -1.36 0.00 0.00 31.31 29.56 2nef n TRP 124 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2nef s GLN 125 N -2.60 4.04 0.33 -2.67 0.74 -1.22 -4.58 119.66 113.70 2nef s GLN 125 Ca -0.06 1.44 -0.16 0.00 0.05 0.00 0.00 55.36 56.63 2nef s GLN 125 Cb 0.06 -3.84 0.03 0.00 1.10 0.00 0.00 33.01 30.36 2nef s GLN 125 CO 0.57 -0.96 0.70 -0.80 -0.55 0.00 0.00 175.29 174.25 2nef s ASN 126 N 2.56 -0.01 0.14 6.67 0.01 -1.26 -5.07 114.94 117.96 2nef s ASN 126 Ca 0.57 -0.96 -0.24 0.00 -0.71 0.00 0.00 52.86 51.51 2nef s ASN 126 Cb -0.19 0.76 0.07 0.00 0.41 0.00 0.00 41.25 42.30 2nef s ASN 126 CO 0.20 -1.47 0.68 -0.31 -1.51 0.00 0.00 177.10 174.69 2nef s TYR 127 N -3.15 -0.46 0.57 2.20 1.51 -1.26 -3.05 117.35 113.71 2nef s TYR 127 Ca 0.16 0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 56.27 2nef s TYR 127 Cb -0.04 0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 42.33 2nef s TYR 127 CO 0.10 -0.82 1.25 0.95 -1.11 0.00 0.00 175.55 175.93 2nef s THR 128 N -3.62 2.47 -0.40 -0.71 -4.23 -1.01 -4.77 115.64 103.38 2nef s THR 128 Ca 0.03 0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 60.57 2nef s THR 128 Cb -0.01 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.69 2nef s THR 128 CO -0.10 -0.04 1.47 -2.16 -0.54 0.00 0.00 174.62 173.25 2nef s PRO 129 N -3.15 3.53 0.00 3.99 0.04 -1.26 -4.83 135.00 133.32 2nef s PRO 129 Ca 0.75 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2nef s PRO 129 Cb -0.34 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2nef s PRO 129 CO 0.38 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2nef n GLY 130 N 5.14 0.40 2.92 0.56 0.00 -1.26 -5.16 105.19 107.78 2nef n GLY 130 Ca 0.18 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 2nef n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nef n PRO 131 N 0.00 -1.31 0.00 1.61 -0.02 -1.26 -4.56 135.00 129.46 2nef n PRO 131 Ca 0.00 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 2nef n PRO 131 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 132 N 2.71 1.21 3.33 -1.23 0.00 -1.26 -4.79 105.19 105.16 2nef n GLY 132 Ca 0.03 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.18 -0.61 -0.00 -1.26 -4.70 119.36 109.61 2nef n ILE 133 Ca 0.00 -0.32 0.05 0.00 -0.00 0.00 0.00 62.75 62.47 2nef n ILE 133 Cb 0.00 -0.70 -0.02 0.00 -0.00 0.00 0.00 39.64 38.93 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 -3.68 0.27 0.29 0.38 3.52 -1.08 -4.86 118.95 113.79 2nef s ARG 134 Ca 0.59 0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 56.57 2nef s ARG 134 Cb -0.16 0.29 -0.08 0.00 -1.56 0.00 0.00 34.95 33.44 2nef s ARG 134 CO 0.66 -0.27 0.67 0.71 -0.81 0.00 0.00 175.30 176.26 2nef s TYR 135 N 2.87 3.39 -0.05 5.12 1.51 -1.26 -2.49 117.35 126.44 2nef s TYR 135 Ca 0.03 1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.88 2nef s TYR 135 Cb -0.11 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 2nef s TYR 135 CO -0.14 0.15 1.23 -1.25 -1.11 0.00 0.00 175.55 174.44 2nef s PRO 136 N -2.95 4.33 0.04 -1.71 0.04 -1.26 -2.39 135.00 131.10 2nef s PRO 136 Ca 0.52 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.99 2nef s PRO 136 Cb -0.11 -3.57 -0.17 0.00 0.04 0.00 0.00 34.50 30.69 2nef s PRO 136 CO 0.19 -0.48 1.43 -0.07 0.04 0.00 0.00 177.00 178.11 2nef h LEU 137 N 8.30 -0.55-10.17 -3.56 3.38 -1.84 -3.43 115.31 107.44 2nef h LEU 137 Ca -0.34 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.05 2nef h LEU 137 Cb 1.16 0.14 0.13 0.00 0.09 0.00 0.00 40.66 42.18 2nef h LEU 137 CO 0.89 -0.28 0.40 0.42 0.09 0.00 0.00 178.44 179.96 2nef s THR 138 N -5.40 2.65 0.43 0.22 -4.23 -1.26 -4.93 115.64 103.12 2nef s THR 138 Ca -0.16 0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 2nef s THR 138 Cb 0.03 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.96 2nef s THR 138 CO 0.57 -0.16 0.63 0.12 -0.54 0.00 0.00 174.62 175.24 2nef s PHE 139 N -2.02 3.18 0.00 3.99 5.36 -1.26 -4.36 117.98 122.87 2nef s PHE 139 Ca 0.73 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2nef s PHE 139 Cb -0.27 -2.25 0.00 0.00 -0.34 0.00 0.00 43.02 40.16 2nef s PHE 139 CO 0.42 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 174.29 2nef n GLY 140 N -1.98 2.84 3.56 13.12 0.00 -1.26 -4.94 105.19 116.53 2nef n GLY 140 Ca 0.01 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.84 2.13 -1.78 1.61 -0.00 -1.26 -3.71 118.94 115.09 2nef s TRP 141 Ca 0.00 0.29 0.03 0.00 -0.00 0.00 0.00 56.10 56.42 2nef s TRP 141 Cb 0.00 -4.44 0.11 0.00 -0.00 0.00 0.00 33.47 29.15 2nef s TRP 141 CO 0.00 -2.10 1.01 0.00 -0.00 0.00 0.00 176.95 175.86 2nef s TYR 143 N -1.73 3.07 0.01 0.00 5.04 -1.26 -2.16 117.35 120.32 2nef s TYR 143 Ca 0.08 0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.76 2nef s TYR 143 Cb 0.05 -1.82 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 2nef s TYR 143 CO 0.05 0.28 -0.13 -1.59 -1.34 0.00 0.00 175.55 172.83 2nef s LYS 144 N -0.47 0.93 0.51 4.97 -2.85 -1.10 -4.54 119.74 117.19 2nef s LYS 144 Ca 0.08 -0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 54.27 2nef s LYS 144 Cb -0.12 -0.91 -0.07 0.00 -2.06 0.00 0.00 37.83 34.67 2nef s LYS 144 CO 0.02 0.24 1.05 -0.51 0.10 0.00 0.00 175.35 176.25 2nef s LEU 145 N -0.69 3.79 -0.21 2.77 1.43 -1.04 -2.37 118.68 122.35 2nef s LEU 145 Ca 0.03 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 54.94 2nef s LEU 145 Cb -0.06 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.66 2nef s LEU 145 CO 0.00 -0.90 0.54 -0.69 0.23 0.00 0.00 176.35 175.53 2nef s VAL 146 N -2.01 -0.01 0.59 -1.59 1.01 -1.18 -2.64 120.40 114.57 2nef s VAL 146 Ca 0.68 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 2nef s VAL 146 Cb -0.17 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2nef s VAL 146 CO 0.23 0.01 1.01 -2.16 0.00 0.00 0.00 175.10 174.19 2nef s PRO 147 N 1.12 3.68 0.00 2.72 0.04 -1.26 -3.07 135.00 138.23 2nef s PRO 147 Ca -0.07 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2nef s PRO 147 Cb -0.06 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2nef s PRO 147 CO -0.11 -0.48 0.00 0.28 0.04 0.00 0.00 177.00 176.74 2nef n VAL 148 N -2.43 0.00 -1.94 -0.36 0.31 -1.26 -4.86 118.33 107.79 2nef n VAL 148 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 2nef n VAL 148 Cb 0.54 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.55 3.68 0.08 5.55 0.41 -1.26 -4.97 118.70 122.74 2nef s GLU 149 Ca 0.00 1.85 -0.25 0.00 -0.41 0.00 0.00 54.97 56.17 2nef s GLU 149 Cb 0.00 -4.13 -0.06 0.00 -1.78 0.00 0.00 34.13 28.15 2nef s GLU 149 CO 0.00 -1.45 0.76 -1.25 -0.49 0.00 0.00 175.26 172.83 2nef s PRO 150 N 5.05 4.50 0.04 0.39 0.04 -1.26 -5.05 135.00 138.72 2nef s PRO 150 Ca 0.80 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2nef s PRO 150 Cb -0.29 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 30.93 2nef s PRO 150 CO 0.33 0.38 0.03 -1.91 0.04 0.00 0.00 177.00 175.87 2nef n GLU 151 N 2.42 -1.82 0.00 4.56 2.13 -1.26 -5.04 120.64 121.62 2nef n GLU 151 Ca -0.04 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2nef n GLU 151 Cb 0.50 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.15 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2nef n LYS 152 N -1.99 0.00 -2.73 5.31 5.02 -1.26 -4.89 118.16 117.62 2nef n LYS 152 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 2nef n LYS 152 Cb 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.00 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nef s LEU 153 N 0.00 3.90 0.14 -0.35 1.02 -1.26 -5.00 118.68 117.12 2nef s LEU 153 Ca 0.00 0.58 -0.30 0.00 0.02 0.00 0.00 54.13 54.43 2nef s LEU 153 Cb 0.00 -3.38 -0.07 0.00 0.02 0.00 0.00 46.19 42.77 2nef s LEU 153 CO 0.00 -0.98 1.11 -1.61 0.02 0.00 0.00 176.35 174.89 2nef s GLU 154 N 3.78 4.56 0.00 1.70 2.02 -1.26 -4.75 118.70 124.75 2nef s GLU 154 Ca 0.42 1.70 0.00 0.00 0.02 0.00 0.00 54.97 57.11 2nef s GLU 154 Cb -0.11 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2nef s GLU 154 CO 0.22 -0.00 0.00 -0.85 0.02 0.00 0.00 175.26 174.65 2nef n GLU 155 N 2.83 0.00 -2.23 1.61 0.28 -1.26 -5.12 120.64 116.75 2nef n GLU 155 Ca 0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.66 2nef n GLU 155 Cb 0.47 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.32 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nef s ALA 156 N -0.56 3.07 0.61 -1.84 0.00 -1.26 -4.99 121.76 116.80 2nef s ALA 156 Ca 0.00 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 2nef s ALA 156 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2nef s ALA 156 CO 0.00 -0.65 1.09 1.21 0.00 0.00 0.00 175.76 177.41 2nef s ASN 157 N -1.19 5.49 0.00 0.00 2.47 -1.26 -5.03 114.94 115.43 2nef s ASN 157 Ca 0.60 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.83 2nef s ASN 157 Cb -0.31 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.94 2nef s ASN 157 CO 0.38 -1.37 0.00 2.29 -3.72 0.00 0.00 177.10 174.69 2nef n LYS 158 N -2.09 0.00 0.00 0.43 2.85 -1.26 -5.15 118.16 112.94 2nef n LYS 158 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2nef n LYS 158 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2nef n LYS 158 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2nef n ASP 174 N -0.25 0.00 -2.83 -5.58 8.00 -1.26 -5.07 116.55 109.56 2nef n ASP 174 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2nef n ASP 174 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2nef n ASP 174 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2nef n ASP 175 N 0.00 -1.32 -2.82 -2.24 5.75 -1.26 -5.14 116.55 109.52 2nef n ASP 175 Ca 0.00 -3.32 -0.04 0.00 -0.01 0.00 0.00 54.79 51.43 2nef n ASP 175 Cb 0.00 1.07 0.03 0.00 -1.03 0.00 0.00 41.12 41.19 2nef n ASP 175 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2nef n PRO 176 N 0.19 -1.78 -0.37 0.11 -0.04 -1.26 -4.79 135.00 127.06 2nef n PRO 176 Ca 0.09 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2nef n PRO 176 Cb 0.72 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2nef n PRO 176 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2nef n GLU 177 N -2.17 0.93 -1.88 0.54 2.13 -1.26 -4.88 120.64 114.05 2nef n GLU 177 Ca 0.02 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.53 2nef n GLU 177 Cb 0.07 -1.03 0.03 0.00 0.27 0.00 0.00 31.44 30.78 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2nef s ARG 178 N 0.12 3.11 -0.06 5.31 3.52 -1.26 -5.00 118.95 124.69 2nef s ARG 178 Ca 0.00 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.86 2nef s ARG 178 Cb 0.00 -2.04 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 2nef s ARG 178 CO 0.00 -0.87 1.17 -1.21 -0.81 0.00 0.00 175.30 173.57 2nef s GLU 179 N -5.30 4.37 0.00 5.12 2.02 -1.26 -5.02 118.70 118.64 2nef s GLU 179 Ca 0.57 1.63 0.00 0.00 0.02 0.00 0.00 54.97 57.19 2nef s GLU 179 Cb -0.11 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2nef s GLU 179 CO 0.52 -0.41 0.00 0.28 0.02 0.00 0.00 175.26 175.68 2nef n VAL 180 N 4.56 0.00 -5.05 2.63 0.31 -1.26 -4.84 118.33 114.67 2nef n VAL 180 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.11 2nef n VAL 180 Cb 0.47 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.25 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 2.46 0.27 7.52 1.43 -1.22 -4.36 118.68 124.78 2nef s LEU 181 Ca 0.00 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2nef s LEU 181 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2nef s LEU 181 CO 0.00 0.32 0.03 -1.83 0.23 0.00 0.00 176.35 175.09 2nef s GLU 182 N -0.56 2.36 -0.25 1.70 -1.05 -1.17 0.32 118.70 120.04 2nef s GLU 182 Ca 0.08 -1.40 -0.29 0.00 -0.15 0.00 0.00 54.97 53.21 2nef s GLU 182 Cb -0.11 -2.20 -0.01 0.00 -0.44 0.00 0.00 34.13 31.37 2nef s GLU 182 CO 0.01 0.34 1.34 -1.58 0.95 0.00 0.00 175.26 176.32 2nef s TRP 183 N -2.32 2.64 -0.82 4.83 0.51 -1.10 -3.07 118.94 119.61 2nef s TRP 183 Ca 0.32 0.85 -0.11 0.00 -2.12 0.00 0.00 56.10 55.04 2nef s TRP 183 Cb -0.06 -3.81 0.22 0.00 -0.81 0.00 0.00 33.47 29.01 2nef s TRP 183 CO 0.21 -1.91 0.75 0.50 -0.51 0.00 0.00 176.95 175.99 2nef s ARG 184 N 4.05 3.49 0.25 4.98 3.00 -1.00 0.22 118.95 133.94 2nef s ARG 184 Ca 0.58 -2.57 -0.30 0.00 -1.00 0.00 0.00 55.73 52.45 2nef s ARG 184 Cb -0.19 -4.32 -0.09 0.00 0.00 0.00 0.00 34.95 30.35 2nef s ARG 184 CO 0.22 -1.27 1.26 0.12 0.00 0.00 0.00 175.30 175.63 2nef s PHE 185 N -0.05 3.27 -0.47 5.12 2.19 -1.26 -2.71 117.98 124.07 2nef s PHE 185 Ca 0.19 1.39 0.06 0.00 0.33 0.00 0.00 56.93 58.90 2nef s PHE 185 Cb -0.12 -3.55 0.26 0.00 -1.31 0.00 0.00 43.02 38.30 2nef s PHE 185 CO -0.08 -1.56 0.88 -3.47 1.83 0.00 0.00 175.22 172.81 2nef n ASP 186 N 1.79 -2.26 0.00 6.13 -0.08 -0.92 -4.97 116.55 116.24 2nef n ASP 186 Ca 0.03 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 2nef n ASP 186 Cb 0.43 1.44 0.00 0.00 2.34 0.00 0.00 41.12 45.33 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2nef n SER 187 N 1.33 0.00 -0.27 1.67 3.41 -1.26 -0.93 113.62 117.57 2nef n SER 187 Ca 0.11 0.16 -0.04 0.00 -0.26 0.00 0.00 58.87 58.83 2nef n SER 187 Cb 0.63 -0.16 0.10 0.00 -0.26 0.00 0.00 64.21 64.53 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2nef h ARG 188 N 0.00 1.15 0.00 4.33 2.43 -1.93 0.81 114.38 121.17 2nef h ARG 188 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2nef h ARG 188 Cb 0.60 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2nef h ARG 188 CO 0.00 0.90 0.00 1.28 -1.51 0.00 0.00 179.97 180.64 2nef n LEU 189 N -4.30 0.00 0.00 3.80 4.77 -0.10 -2.21 117.00 118.96 2nef n LEU 189 Ca 0.07 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2nef n LEU 189 Cb 0.16 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.67 2nef n LEU 189 CO 0.40 0.00 0.65 0.00 -1.33 0.00 0.00 177.39 177.11 2nef n ALA 190 N -0.88 2.21 0.00 -1.18 0.00 0.28 -3.58 120.51 117.36 2nef n ALA 190 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2nef n ALA 190 Cb 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.85 0.00 0.00 0.00 3.72 -0.94 -4.97 117.46 114.42 2nef n PHE 191 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2nef n PHE 191 Cb 0.05 0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2nef n PHE 191 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2nef n HIS 192 N -1.89 -0.22 -2.69 1.38 8.25 -1.24 -5.07 115.22 113.74 2nef n HIS 192 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2nef n HIS 192 Cb 0.12 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.27 2nef n HIS 192 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2nef n HIS 193 N -0.22 -1.32 0.01 4.41 1.44 -1.26 -4.96 115.22 113.31 2nef n HIS 193 Ca 0.00 -0.84 -0.18 0.00 -2.01 0.00 0.00 57.72 54.69 2nef n HIS 193 Cb 0.00 1.18 -0.14 0.00 0.12 0.00 0.00 29.99 31.15 2nef n HIS 193 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2nef h MET 194 N 4.10 0.19 -0.77 -1.40 4.05 -1.98 -3.25 114.93 115.87 2nef h MET 194 Ca -0.05 -0.33 0.22 0.00 -0.28 0.00 0.00 59.70 59.27 2nef h MET 194 Cb 1.16 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 2nef h MET 194 CO -0.08 1.16 0.64 0.00 0.23 0.00 0.00 176.91 178.86 2nef h ALA 195 N 0.05 2.64 -0.12 0.39 0.00 -1.96 0.54 119.26 120.80 2nef h ALA 195 Ca -0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2nef h ALA 195 Cb 1.41 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2nef h ALA 195 CO 0.10 -1.04 -0.61 -0.09 0.00 0.00 0.00 179.25 177.61 2nef h ARG 196 N 0.00 0.42 0.00 0.00 2.43 -1.91 -2.81 114.38 112.51 2nef h ARG 196 Ca 0.37 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2nef h ARG 196 Cb 1.65 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2nef h ARG 196 CO -0.00 0.90 -0.02 1.49 -1.51 0.00 0.00 179.97 180.83 2nef h GLU 197 N 0.31 0.00 0.04 0.20 4.22 0.01 -3.17 114.58 116.19 2nef h GLU 197 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 2nef h GLU 197 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2nef h GLU 197 CO 0.10 0.02 -0.02 -0.07 -2.18 0.00 0.00 179.01 176.86 2nef h LEU 198 N 0.00 -0.04 -6.17 1.64 3.38 -1.20 -3.45 115.31 109.46 2nef h LEU 198 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2nef h LEU 198 Cb 0.60 0.01 -0.31 0.00 0.09 0.00 0.00 40.66 41.05 2nef h LEU 198 CO 0.00 0.05 -0.76 -1.00 0.09 0.00 0.00 178.44 176.83 2nef s HIS 199 N -1.57 -0.00 -0.15 1.13 3.76 -1.18 -4.98 115.29 112.30 2nef s HIS 199 Ca -0.01 -1.30 0.17 0.00 -0.15 0.00 0.00 55.06 53.77 2nef s HIS 199 Cb 0.00 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 2nef s HIS 199 CO 0.02 -0.96 1.11 -1.00 -0.85 0.00 0.00 174.74 173.06 2nef h PRO 200 N 6.32 0.00 0.00 8.40 0.13 -1.77 -3.33 132.00 141.75 2nef h PRO 200 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2nef h PRO 200 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2nef h PRO 200 CO 0.22 0.35 0.11 0.39 -0.23 0.00 0.00 178.00 178.85 2nef n GLU 201 N -3.01 0.00 0.07 0.86 1.02 -1.26 -0.27 120.64 118.05 2nef n GLU 201 Ca -0.04 0.21 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 2nef n GLU 201 Cb 0.77 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2nef h TYR 202 N 0.00 0.07 -2.97 -0.32 -1.99 -2.01 -3.41 116.97 106.35 2nef h TYR 202 Ca 0.00 -0.05 -0.68 0.00 2.00 0.00 0.00 58.73 60.00 2nef h TYR 202 Cb 0.23 -0.00 -0.18 0.00 2.00 0.00 0.00 36.73 38.77 2nef h TYR 202 CO 0.00 0.99 0.20 -0.06 -0.00 0.00 0.00 178.16 179.29 2nef s PHE 203 N -2.83 2.94 -0.40 4.88 0.08 0.63 -5.01 117.98 118.27 2nef s PHE 203 Ca -0.00 -0.71 -0.29 0.00 0.12 0.00 0.00 56.93 56.05 2nef s PHE 203 Cb 0.10 -3.94 0.01 0.00 -0.57 0.00 0.00 43.02 38.62 2nef s PHE 203 CO 0.82 -1.30 1.40 0.21 -0.10 0.00 0.00 175.22 176.26 2nef s LYS 204 N 3.01 3.61 -0.12 0.44 2.20 -1.26 -4.96 119.74 122.66 2nef s LYS 204 Ca 0.16 0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 56.45 2nef s LYS 204 Cb -0.21 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 2nef s LYS 204 CO 0.09 -1.51 1.31 0.54 -0.36 0.00 0.00 175.35 175.41 2nef s ASN 205 N 3.82 6.93 0.00 1.43 4.22 -1.26 -5.23 114.94 124.84 2nef s ASN 205 Ca 0.61 1.81 0.00 0.00 -2.14 0.00 0.00 52.86 53.14 2nef s ASN 205 Cb -0.14 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.85 2nef s ASN 205 CO 0.31 -0.74 0.00 0.00 -2.04 0.00 0.00 177.10 174.63