#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.13 0.00 0.00 5.08 -1.99 -3.20 115.95 115.97 2nef h TRP 57 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 58.89 59.91 2nef h TRP 57 Cb 0.00 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.14 2nef h TRP 57 CO 0.00 0.80 0.00 1.47 -1.28 0.00 0.00 178.44 179.43 2nef n LEU 58 N -4.64 0.03 -2.97 0.11 -0.00 -1.26 -4.13 117.00 104.13 2nef n LEU 58 Ca -0.09 0.50 -0.28 0.00 -0.00 0.00 0.00 56.01 56.15 2nef n LEU 58 Cb 0.41 -0.49 -0.06 0.00 -0.00 0.00 0.00 43.42 43.28 2nef n LEU 58 CO 0.36 -0.03 2.67 1.21 -0.00 0.00 0.00 177.39 181.61 2nef n GLU 59 N -1.53 2.81 -2.19 1.47 0.00 -1.21 -4.89 120.64 115.10 2nef n GLU 59 Ca 0.07 -1.68 -0.43 0.00 0.00 0.00 0.00 57.16 55.12 2nef n GLU 59 Cb 0.33 -2.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.25 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nef s ALA 60 N 2.26 3.31 0.00 4.31 0.00 -1.26 -4.47 121.76 125.91 2nef s ALA 60 Ca 0.59 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2nef s ALA 60 Cb 0.18 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2nef s ALA 60 CO -0.04 -1.88 0.00 1.04 0.00 0.00 0.00 175.76 174.88 2nef n GLN 61 N 7.55 0.00 0.05 0.00 6.02 -1.26 -4.81 117.38 124.93 2nef n GLN 61 Ca 0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.00 2nef n GLN 61 Cb 0.45 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.57 2nef n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2nef h GLU 62 N 0.00 0.24 -3.00 -1.09 4.39 -2.04 -3.46 114.58 109.61 2nef h GLU 62 Ca 0.00 -0.40 -0.18 0.00 0.34 0.00 0.00 59.36 59.11 2nef h GLU 62 Cb 0.00 0.15 -0.29 0.00 -0.10 0.00 0.00 28.75 28.51 2nef h GLU 62 CO 0.00 1.09 -0.46 -2.00 -1.16 0.00 0.00 179.01 176.48 2nef s GLU 63 N -2.61 0.24 -0.22 2.33 2.12 -1.26 -5.10 118.70 114.19 2nef s GLU 63 Ca -0.10 0.53 -0.39 0.00 0.36 0.00 0.00 54.97 55.38 2nef s GLU 63 Cb 0.07 -0.08 -0.15 0.00 0.26 0.00 0.00 34.13 34.23 2nef s GLU 63 CO 0.85 -0.15 1.73 -1.91 -0.54 0.00 0.00 175.26 175.24 2nef n GLU 64 N 4.06 1.33 -0.30 4.30 2.13 -1.26 -4.72 120.64 126.19 2nef n GLU 64 Ca -0.24 0.49 -0.02 0.00 0.66 0.00 0.00 57.16 58.06 2nef n GLU 64 Cb 0.54 -2.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.03 2nef n GLU 64 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2nef n GLU 65 N 5.34 0.60 -3.30 5.31 -0.58 -1.26 -4.45 120.64 122.30 2nef n GLU 65 Ca 0.25 -0.13 -0.07 0.00 -0.42 0.00 0.00 57.16 56.79 2nef n GLU 65 Cb 0.16 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 2nef n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2nef s VAL 66 N 1.34 -0.68 0.00 2.62 1.01 -1.26 -5.06 120.40 118.37 2nef s VAL 66 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2nef s VAL 66 Cb 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2nef s VAL 66 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2nef n GLY 67 N 5.37 -0.41 3.85 4.51 0.00 -1.26 -5.00 105.19 112.25 2nef n GLY 67 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2nef n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nef s PHE 68 N -0.89 3.41 0.08 1.61 -0.12 -1.26 -5.02 117.98 115.79 2nef s PHE 68 Ca 0.00 1.18 -0.31 0.00 -0.05 0.00 0.00 56.93 57.75 2nef s PHE 68 Cb 0.00 -2.50 -0.07 0.00 -0.63 0.00 0.00 43.02 39.82 2nef s PHE 68 CO 0.00 0.15 1.35 -1.25 -0.05 0.00 0.00 175.22 175.42 2nef s PRO 69 N -2.85 4.34 0.72 1.99 0.04 -1.26 -5.03 135.00 132.96 2nef s PRO 69 Ca 0.52 1.99 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 2nef s PRO 69 Cb -0.11 -3.33 0.05 0.00 0.04 0.00 0.00 34.50 31.15 2nef s PRO 69 CO 0.18 -0.42 1.08 0.14 0.04 0.00 0.00 177.00 178.02 2nef s VAL 70 N 1.32 2.74 -0.19 -0.36 -7.23 -1.26 -5.03 120.40 110.39 2nef s VAL 70 Ca 0.63 0.08 -0.22 0.00 -1.81 0.00 0.00 61.98 60.67 2nef s VAL 70 Cb -0.34 -3.21 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 2nef s VAL 70 CO 0.29 -0.25 0.68 0.28 -0.31 0.00 0.00 175.10 175.79 2nef s THR 71 N -3.36 4.98 -0.78 5.32 -1.32 -1.26 -5.01 115.64 114.22 2nef s THR 71 Ca 0.59 1.30 -0.25 0.00 -1.21 0.00 0.00 61.69 62.12 2nef s THR 71 Cb -0.11 -3.99 0.04 0.00 -1.51 0.00 0.00 72.50 66.93 2nef s THR 71 CO 0.48 0.08 1.25 -2.16 -2.21 0.00 0.00 174.62 172.06 2nef s PRO 72 N 2.01 3.25 -0.38 7.08 0.04 -1.26 -4.95 135.00 140.78 2nef s PRO 72 Ca 0.31 -0.53 0.01 0.00 0.04 0.00 0.00 61.00 60.84 2nef s PRO 72 Cb -0.16 -4.39 0.12 0.00 0.04 0.00 0.00 34.50 30.10 2nef s PRO 72 CO 0.11 -2.09 0.16 -0.65 0.04 0.00 0.00 177.00 174.56 2nef s GLN 73 N 5.23 1.13 0.08 4.56 -0.21 -1.26 -5.00 119.66 124.19 2nef s GLN 73 Ca 0.34 -1.65 0.03 0.00 0.02 0.00 0.00 55.36 54.10 2nef s GLN 73 Cb -0.08 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 2nef s GLN 73 CO 0.10 -1.06 -0.10 0.14 -2.12 0.00 0.00 175.29 172.25 2nef s VAL 74 N 0.90 0.82 0.04 1.09 -7.23 -1.26 -5.12 120.40 109.63 2nef s VAL 74 Ca 0.14 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 2nef s VAL 74 Cb -0.21 -1.14 -0.07 0.00 0.56 0.00 0.00 36.38 35.52 2nef s VAL 74 CO -0.11 -0.50 1.51 -2.16 -0.31 0.00 0.00 175.10 173.53 2nef s PRO 75 N -2.43 4.25 -0.62 4.82 0.04 -1.26 -4.89 135.00 134.90 2nef s PRO 75 Ca 0.01 2.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 2nef s PRO 75 Cb -0.05 -3.56 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 2nef s PRO 75 CO -0.00 -0.64 2.26 -0.51 0.04 0.00 0.00 177.00 178.15 2nef s LEU 76 N 2.43 3.24 0.36 -3.56 1.43 -1.26 -4.83 118.68 116.49 2nef s LEU 76 Ca 0.68 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 2nef s LEU 76 Cb -0.35 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 2nef s LEU 76 CO 0.29 -3.00 0.73 -0.13 0.23 0.00 0.00 176.35 174.48 2nef s ARG 77 N 8.07 3.87 -0.03 1.70 0.52 -1.26 -5.02 118.95 126.78 2nef s ARG 77 Ca 0.88 0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 56.31 2nef s ARG 77 Cb -0.14 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 2nef s ARG 77 CO 0.19 0.08 1.32 -1.25 0.02 0.00 0.00 175.30 175.65 2nef s PRO 78 N -3.41 4.31 -0.45 3.54 0.04 -1.26 -4.74 135.00 133.02 2nef s PRO 78 Ca 0.52 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 2nef s PRO 78 Cb -0.10 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 2nef s PRO 78 CO 0.25 -0.54 2.12 1.41 0.04 0.00 0.00 177.00 180.28 2nef s MET 79 N 2.42 2.64 -0.04 4.56 1.75 -1.26 -4.93 119.30 124.42 2nef s MET 79 Ca 0.60 1.30 -0.21 0.00 -1.25 0.00 0.00 55.69 56.14 2nef s MET 79 Cb -0.28 -4.43 -0.05 0.00 2.84 0.00 0.00 34.83 32.91 2nef s MET 79 CO 0.24 -2.68 0.60 0.95 -0.65 0.00 0.00 175.02 173.48 2nef s THR 80 N 9.76 5.00 0.39 10.11 -4.23 -1.26 -4.92 115.64 130.49 2nef s THR 80 Ca 0.87 1.24 0.15 0.00 -1.18 0.00 0.00 61.69 62.76 2nef s THR 80 Cb -0.19 -3.94 0.36 0.00 1.34 0.00 0.00 72.50 70.07 2nef s THR 80 CO 0.27 0.36 1.84 0.22 -0.54 0.00 0.00 174.62 176.77 2nef h TYR 81 N 6.13 0.67 -0.51 3.99 3.20 -1.92 2.23 116.97 130.76 2nef h TYR 81 Ca -0.43 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 2nef h TYR 81 Cb 1.20 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 2nef h TYR 81 CO 0.65 0.17 0.20 -0.22 -1.64 0.00 0.00 178.16 177.32 2nef h LYS 82 N 0.50 0.73 0.00 1.82 1.63 -1.93 -1.15 116.57 118.17 2nef h LYS 82 Ca 0.50 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 60.13 2nef h LYS 82 Cb 1.11 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2nef h LYS 82 CO -0.22 0.60 -0.28 0.00 -3.45 0.00 0.00 179.45 176.10 2nef h ALA 83 N 1.50 1.42 0.25 5.00 0.00 0.33 -2.17 119.26 125.59 2nef h ALA 83 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2nef h ALA 83 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2nef h ALA 83 CO -0.02 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.46 2nef h ALA 84 N 1.72 -0.34 -0.39 0.00 0.00 -0.35 0.13 119.26 120.03 2nef h ALA 84 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2nef h ALA 84 Cb 0.54 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2nef h ALA 84 CO 0.04 -0.58 0.16 0.28 0.00 0.00 0.00 179.25 179.15 2nef h VAL 85 N -0.57 1.19 -0.07 0.00 2.07 -1.41 0.50 116.25 117.96 2nef h VAL 85 Ca -0.03 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2nef h VAL 85 Cb 0.42 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2nef h VAL 85 CO 0.06 0.21 0.05 0.44 0.02 0.00 0.00 177.57 178.35 2nef h ASP 86 N 0.49 0.08 -0.35 0.57 3.32 -1.37 -1.65 116.42 117.51 2nef h ASP 86 Ca 0.13 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2nef h ASP 86 Cb 0.18 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2nef h ASP 86 CO -0.01 0.06 0.14 0.25 -1.72 0.00 0.00 179.24 177.95 2nef h LEU 87 N 0.10 0.54 -0.22 1.55 5.85 -0.47 -2.13 115.31 120.53 2nef h LEU 87 Ca 0.03 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2nef h LEU 87 Cb -0.01 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 2nef h LEU 87 CO -0.01 0.52 -0.31 0.77 -0.34 0.00 0.00 178.44 179.07 2nef h SER 88 N 0.59 -0.98 0.64 1.25 4.64 0.98 -0.24 113.55 120.43 2nef h SER 88 Ca 0.14 0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.51 2nef h SER 88 Cb 0.17 0.44 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2nef h SER 88 CO -0.01 -0.33 -0.50 0.45 -0.87 0.00 0.00 176.83 175.57 2nef h HIS 89 N -0.33 0.00 0.80 4.77 3.86 -1.30 -2.58 115.15 120.36 2nef h HIS 89 Ca 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2nef h HIS 89 Cb 0.53 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 2nef h HIS 89 CO -0.44 0.50 -0.49 0.35 0.86 0.00 0.00 177.93 178.71 2nef h PHE 90 N 0.00 -1.31 -0.03 2.45 3.04 -0.41 -0.67 116.94 120.00 2nef h PHE 90 Ca -0.01 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.94 2nef h PHE 90 Cb 0.96 0.47 -0.00 0.00 2.56 0.00 0.00 35.95 39.93 2nef h PHE 90 CO 0.00 -0.73 0.02 -0.07 -2.02 0.00 0.00 178.31 175.51 2nef h LEU 91 N -1.21 0.00 -0.63 0.59 3.38 -1.23 -1.38 115.31 114.83 2nef h LEU 91 Ca -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2nef h LEU 91 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2nef h LEU 91 CO 0.11 0.00 0.10 0.50 0.09 0.00 0.00 178.44 179.24 2nef h LYS 92 N 0.00 1.04 0.00 1.13 3.64 -0.85 -2.52 116.57 119.01 2nef h LYS 92 Ca 0.01 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2nef h LYS 92 Cb 0.06 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2nef h LYS 92 CO -0.00 0.97 0.00 0.39 -2.27 0.00 0.00 179.45 178.54 2nef n GLU 93 N -4.27 0.00 0.00 1.90 -0.58 -0.36 -4.71 120.64 112.62 2nef n GLU 93 Ca 0.04 0.18 -0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2nef n GLU 93 Cb 0.28 -0.88 -0.00 0.00 -0.57 0.00 0.00 31.44 30.27 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2nef h LYS 94 N 0.00 -0.01 -6.23 3.49 6.56 -1.65 -3.46 116.57 115.27 2nef h LYS 94 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 2nef h LYS 94 Cb 0.00 0.00 0.22 0.00 -0.57 0.00 0.00 32.23 31.88 2nef h LYS 94 CO 0.00 -0.01 -1.32 0.41 -2.06 0.00 0.00 179.45 176.47 2nef n GLY 95 N 1.71 -3.54 2.64 3.86 0.00 -0.95 -4.76 105.19 104.15 2nef n GLY 95 Ca -0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 2.73 4.78 0.13 -0.02 0.00 -1.25 -4.34 105.19 107.22 2nef n GLY 96 Ca 0.03 -2.36 -0.20 0.00 0.00 0.00 0.00 46.02 43.49 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 2.92 0.58 -9.60 0.99 5.85 -1.92 -3.41 115.31 110.73 2nef h LEU 97 Ca 0.13 -0.70 -0.58 0.00 0.84 0.00 0.00 57.88 57.57 2nef h LEU 97 Cb 0.75 -0.19 0.17 0.00 0.37 0.00 0.00 40.66 41.76 2nef h LEU 97 CO 0.71 1.56 -0.24 1.21 -0.34 0.00 0.00 178.44 181.34 2nef n GLU 98 N -3.58 0.61 -0.38 1.25 2.13 -1.26 -0.67 120.64 118.75 2nef n GLU 98 Ca -0.16 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2nef n GLU 98 Cb 1.06 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.94 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 1.64 0.00 3.59 8.31 0.00 0.19 -4.83 105.19 114.10 2nef n GLY 99 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 3.53 -0.23 0.99 2.96 0.15 -4.72 118.68 121.36 2nef s LEU 100 Ca 0.00 0.64 -0.28 0.00 -0.22 0.00 0.00 54.13 54.27 2nef s LEU 100 Cb 0.00 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2nef s LEU 100 CO 0.00 -1.52 2.01 -0.63 -1.32 0.00 0.00 176.35 174.89 2nef s ILE 101 N 5.62 3.22 -0.18 6.68 -1.09 -1.26 -2.75 121.20 131.44 2nef s ILE 101 Ca 0.58 0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.94 2nef s ILE 101 Cb -0.12 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 2nef s ILE 101 CO 0.30 -0.16 1.73 -2.28 -1.23 0.00 0.00 174.94 173.30 2nef s HIS 102 N 7.24 1.90 0.00 3.97 5.65 0.93 -4.90 115.29 130.08 2nef s HIS 102 Ca 0.90 0.41 0.00 0.00 0.25 0.00 0.00 55.06 56.62 2nef s HIS 102 Cb -0.30 -4.00 0.00 0.00 -1.18 0.00 0.00 32.58 27.10 2nef s HIS 102 CO 0.35 -3.43 0.00 -1.13 -0.65 0.00 0.00 174.74 169.88 2nef n SER 103 N 8.61 0.00 -0.08 9.88 3.41 -1.26 -3.31 113.62 130.86 2nef n SER 103 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2nef n SER 103 Cb 0.45 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nef n GLN 104 N 0.00 0.55 0.00 4.33 1.13 -1.26 -4.66 117.38 117.47 2nef n GLN 104 Ca 0.00 -0.83 0.00 0.00 -1.94 0.00 0.00 57.00 54.23 2nef n GLN 104 Cb 0.00 -0.62 0.00 0.00 0.11 0.00 0.00 30.24 29.73 2nef n GLN 104 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2nef n ARG 105 N -0.14 0.00 0.32 -1.09 0.63 -1.26 -4.93 116.66 110.19 2nef n ARG 105 Ca 0.01 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.11 2nef n ARG 105 Cb 0.50 0.00 0.90 0.00 0.45 0.00 0.00 32.46 34.30 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2nef h ARG 106 N 0.00 0.00 -0.18 -0.14 9.65 -1.92 -0.37 114.38 121.42 2nef h ARG 106 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2nef h ARG 106 Cb 0.26 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2nef h ARG 106 CO 0.00 0.00 0.06 0.37 2.80 0.00 0.00 179.97 183.20 2nef h GLN 107 N 0.00 0.28 -0.61 0.20 -0.00 -1.97 -2.54 115.11 110.46 2nef h GLN 107 Ca 0.01 -0.06 0.02 0.00 -0.00 0.00 0.00 58.65 58.63 2nef h GLN 107 Cb 0.55 -0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.95 2nef h GLN 107 CO -0.00 0.38 0.38 -0.44 0.00 0.00 0.00 178.83 179.15 2nef h ASP 108 N 0.12 0.63 -0.97 -0.69 5.19 -1.47 -1.82 116.42 117.41 2nef h ASP 108 Ca 0.06 -0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.56 2nef h ASP 108 Cb 0.21 -0.14 -0.07 0.00 0.18 0.00 0.00 39.33 39.51 2nef h ASP 108 CO -0.00 0.45 0.62 0.40 -3.12 0.00 0.00 179.24 177.59 2nef h ILE 109 N 0.76 0.98 0.29 0.35 5.03 -1.47 0.16 117.51 123.61 2nef h ILE 109 Ca 0.24 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.62 2nef h ILE 109 Cb -0.01 -0.12 0.00 0.00 -3.03 0.00 0.00 36.82 33.66 2nef h ILE 109 CO -0.09 0.18 -0.15 0.25 -0.68 0.00 0.00 178.15 177.66 2nef h LEU 110 N 1.01 -0.37 -0.90 1.44 5.85 -0.91 0.28 115.31 121.70 2nef h LEU 110 Ca 0.46 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.35 2nef h LEU 110 Cb 0.38 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 2nef h LEU 110 CO -0.21 -0.25 0.50 0.44 -0.34 0.00 0.00 178.44 178.57 2nef h ASP 111 N -0.41 0.63 0.55 1.25 5.19 -1.34 -1.17 116.42 121.13 2nef h ASP 111 Ca -0.04 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2nef h ASP 111 Cb 0.32 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.82 2nef h ASP 111 CO 0.06 0.26 -0.27 0.25 -3.12 0.00 0.00 179.24 176.43 2nef h LEU 112 N 0.70 -0.63 -1.11 1.55 5.85 -0.82 -2.13 115.31 118.72 2nef h LEU 112 Ca 0.50 -0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.41 2nef h LEU 112 Cb 0.70 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.78 2nef h LEU 112 CO -0.36 -0.30 0.62 -0.25 -0.34 0.00 0.00 178.44 177.81 2nef h TRP 113 N -0.98 0.93 -0.86 1.25 7.01 0.01 0.50 115.95 123.81 2nef h TRP 113 Ca -0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2nef h TRP 113 Cb 0.64 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 2nef h TRP 113 CO 0.00 0.09 0.46 0.82 -2.79 0.00 0.00 178.44 177.03 2nef h ILE 114 N 0.56 1.25 0.46 2.65 2.04 -0.96 -2.28 117.51 121.24 2nef h ILE 114 Ca 0.62 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2nef h ILE 114 Cb 1.24 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2nef h ILE 114 CO -0.41 0.28 -0.22 0.22 0.00 0.00 0.00 178.15 178.02 2nef h TYR 115 N 1.20 -0.58 -0.02 1.37 5.03 0.67 1.16 116.97 125.80 2nef h TYR 115 Ca 0.30 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.60 2nef h TYR 115 Cb 0.04 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.51 2nef h TYR 115 CO 0.01 -0.27 0.08 0.45 -1.32 0.00 0.00 178.16 177.11 2nef h HIS 116 N -0.85 0.00 0.00 -3.82 3.86 -1.38 -2.55 115.15 110.41 2nef h HIS 116 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2nef h HIS 116 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2nef h HIS 116 CO -0.00 0.00 -0.33 0.25 0.86 0.00 0.00 177.93 178.71 2nef n THR 117 N -3.20 0.51 0.00 2.45 -2.24 -0.86 -4.76 114.28 106.18 2nef n THR 117 Ca -0.02 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2nef n THR 117 Cb 0.15 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 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 -3.16 0.00 0.00 -0.78 6.02 0.39 -4.96 117.38 114.89 2nef n GLN 118 Ca -0.05 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2nef n GLN 118 Cb 0.17 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.46 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nef n GLY 119 N 1.98 1.64 3.75 1.08 0.00 -0.84 -4.63 105.19 108.17 2nef n GLY 119 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.98 3.67 0.34 1.61 2.02 -1.26 -4.46 117.35 117.28 2nef s TYR 120 Ca 0.00 1.73 -0.27 0.00 -0.37 0.00 0.00 57.07 58.16 2nef s TYR 120 Cb 0.00 -3.22 -0.09 0.00 -0.40 0.00 0.00 41.96 38.25 2nef s TYR 120 CO 0.00 -0.35 1.15 -0.59 -1.57 0.00 0.00 175.55 174.20 2nef s PHE 121 N -1.05 3.29 -0.98 2.71 -0.12 -1.26 -4.67 117.98 115.90 2nef s PHE 121 Ca 0.44 1.60 -0.22 0.00 -0.05 0.00 0.00 56.93 58.70 2nef s PHE 121 Cb -0.30 -3.38 0.07 0.00 -0.63 0.00 0.00 43.02 38.78 2nef s PHE 121 CO 0.38 -1.04 1.35 -1.25 -0.05 0.00 0.00 175.22 174.61 2nef s PRO 122 N -1.89 3.58 0.00 1.99 0.04 -1.26 -4.49 135.00 132.97 2nef s PRO 122 Ca 0.51 -1.28 0.01 0.00 0.04 0.00 0.00 61.00 60.28 2nef s PRO 122 Cb -0.32 -5.20 0.02 0.00 0.04 0.00 0.00 34.50 29.04 2nef s PRO 122 CO 0.41 -2.08 0.68 -0.40 0.04 0.00 0.00 177.00 175.65 2nef n ASP 123 N 8.22 -0.07 -0.01 6.66 5.68 -1.26 -4.90 116.55 130.88 2nef n ASP 123 Ca 0.29 -1.36 -0.01 0.00 -0.50 0.00 0.00 54.79 53.22 2nef n ASP 123 Cb 0.50 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.02 0.00 -2.28 2.11 4.27 -1.26 -4.85 117.44 115.44 2nef n TRP 124 Ca -0.03 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.59 -0.07 -0.01 0.00 -1.36 0.00 0.00 31.31 30.46 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 -2.11 2.78 -1.19 -2.67 7.27 -1.26 -4.41 117.38 115.79 2nef n GLN 125 Ca -0.02 -2.96 0.00 0.00 0.07 0.00 0.00 57.00 54.09 2nef n GLN 125 Cb 0.54 -3.48 0.00 0.00 2.41 0.00 0.00 30.24 29.71 2nef n GLN 125 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2nef n ASN 126 N 9.04 0.38 -3.44 1.69 5.03 -1.26 -5.03 115.26 121.67 2nef n ASN 126 Ca 0.49 -1.00 -0.13 0.00 0.87 0.00 0.00 54.58 54.81 2nef n ASN 126 Cb 0.45 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.18 2nef n ASN 126 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2nef s TYR 127 N 0.62 -0.55 1.21 3.10 1.51 -1.26 -3.24 117.35 118.73 2nef s TYR 127 Ca 0.00 0.49 -0.20 0.00 -1.01 0.00 0.00 57.07 56.35 2nef s TYR 127 Cb 0.00 0.53 0.31 0.00 -0.11 0.00 0.00 41.96 42.68 2nef s TYR 127 CO 0.00 -0.79 0.92 0.25 -1.11 0.00 0.00 175.55 174.83 2nef n THR 128 N -0.11 0.00 -2.36 -0.71 -2.24 -1.13 -4.78 114.28 102.95 2nef n THR 128 Ca -0.17 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 2nef n THR 128 Cb 0.63 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 2nef n THR 128 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2nef n PRO 129 N -4.91 4.50 -3.76 -0.78 -0.04 -1.26 -4.93 135.00 123.81 2nef n PRO 129 Ca 0.13 -3.88 -0.13 0.00 -0.04 0.00 0.00 63.50 59.58 2nef n PRO 129 Cb 0.54 -2.66 -0.11 0.00 -0.04 0.00 0.00 33.50 31.24 2nef n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2nef s GLY 130 N -0.18 -0.24 -0.01 0.55 0.00 -1.26 -5.07 107.32 101.12 2nef s GLY 130 Ca 0.44 0.91 -0.19 0.00 0.00 0.00 0.00 44.72 45.88 2nef s GLY 130 CO -0.04 0.79 1.00 -0.56 0.00 0.00 0.00 173.10 174.28 2nef h PRO 131 N 5.64 0.42 0.00 2.90 0.13 -2.03 -3.43 132.00 135.62 2nef h PRO 131 Ca -0.26 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2nef h PRO 131 Cb 1.19 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2nef h PRO 131 CO 0.30 1.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.73 2nef n GLY 132 N 1.45 -3.43 3.51 1.56 0.00 -1.26 -4.42 105.19 102.60 2nef n GLY 132 Ca -0.13 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.01 -2.70 -0.61 2.08 -1.26 -4.82 119.36 112.04 2nef n ILE 133 Ca 0.00 -0.16 -0.43 0.00 0.56 0.00 0.00 62.75 62.72 2nef n ILE 133 Cb 0.00 -0.66 -0.03 0.00 -0.75 0.00 0.00 39.64 38.20 2nef n ILE 133 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2nef s ARG 134 N 8.61 3.64 0.10 0.38 0.52 -1.17 -4.94 118.95 126.09 2nef s ARG 134 Ca 1.31 0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 56.80 2nef s ARG 134 Cb -1.07 -3.92 -0.06 0.00 0.52 0.00 0.00 34.95 30.42 2nef s ARG 134 CO 0.47 -1.31 0.43 0.71 0.02 0.00 0.00 175.30 175.63 2nef s TYR 135 N 4.13 3.57 -0.18 -0.53 1.51 -1.26 -3.27 117.35 121.32 2nef s TYR 135 Ca 0.43 0.83 -0.28 0.00 -1.01 0.00 0.00 57.07 57.04 2nef s TYR 135 Cb -0.08 -2.19 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 2nef s TYR 135 CO 0.29 0.48 0.97 -1.25 -1.11 0.00 0.00 175.55 174.94 2nef s PRO 136 N -2.01 4.31 0.24 -1.71 0.04 -1.26 -2.84 135.00 131.77 2nef s PRO 136 Ca 0.35 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 2nef s PRO 136 Cb -0.14 -3.60 0.24 0.00 0.04 0.00 0.00 34.50 31.04 2nef s PRO 136 CO 0.19 -0.46 1.79 -0.07 0.04 0.00 0.00 177.00 178.48 2nef h LEU 137 N 8.74 0.99-10.10 -3.56 3.38 -1.85 -3.43 115.31 109.48 2nef h LEU 137 Ca -0.25 -0.17 -0.52 0.00 0.09 0.00 0.00 57.88 57.03 2nef h LEU 137 Cb 1.10 -0.26 0.11 0.00 0.09 0.00 0.00 40.66 41.70 2nef h LEU 137 CO 0.90 0.91 0.46 0.42 0.09 0.00 0.00 178.44 181.23 2nef s THR 138 N -5.40 2.73 0.15 0.22 -4.23 -1.26 -4.90 115.64 102.94 2nef s THR 138 Ca -0.11 0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2nef s THR 138 Cb 0.16 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2nef s THR 138 CO 0.83 -0.10 0.28 0.12 -0.54 0.00 0.00 174.62 175.20 2nef s PHE 139 N -1.65 3.46 0.00 3.99 5.36 -1.26 -4.43 117.98 123.45 2nef s PHE 139 Ca 0.76 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 2nef s PHE 139 Cb -0.29 -1.66 0.00 0.00 -0.34 0.00 0.00 43.02 40.74 2nef s PHE 139 CO 0.32 0.52 0.00 0.41 -1.46 0.00 0.00 175.22 175.01 2nef n GLY 140 N -0.55 2.70 3.57 13.12 0.00 -1.26 -4.91 105.19 117.86 2nef n GLY 140 Ca -0.07 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.68 2.23 -0.95 1.61 -0.00 -1.26 -3.80 118.94 116.08 2nef s TRP 141 Ca 0.00 0.36 -0.07 0.00 -0.00 0.00 0.00 56.10 56.39 2nef s TRP 141 Cb 0.00 -4.43 -0.06 0.00 -0.00 0.00 0.00 33.47 28.98 2nef s TRP 141 CO 0.00 -2.01 2.95 0.00 -0.00 0.00 0.00 176.95 177.89 2nef s TYR 143 N 0.38 3.29 -0.30 0.00 -0.85 -1.26 -2.17 117.35 116.43 2nef s TYR 143 Ca 0.63 0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 57.33 2nef s TYR 143 Cb 0.25 -2.00 0.10 0.00 0.38 0.00 0.00 41.96 40.69 2nef s TYR 143 CO -0.08 0.30 0.11 0.15 -1.52 0.00 0.00 175.55 174.51 2nef s LYS 144 N -0.09 0.58 0.38 -3.49 -0.14 -1.03 -4.24 119.74 111.72 2nef s LYS 144 Ca 0.07 -0.94 -0.23 0.00 -1.36 0.00 0.00 55.97 53.51 2nef s LYS 144 Cb -0.12 -1.79 -0.10 0.00 -1.68 0.00 0.00 37.83 34.14 2nef s LYS 144 CO 0.01 -0.99 0.96 -0.51 -0.76 0.00 0.00 175.35 174.06 2nef s LEU 145 N 1.74 4.12 -0.21 3.17 1.43 -1.20 -1.01 118.68 126.71 2nef s LEU 145 Ca 0.10 1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 2nef s LEU 145 Cb -0.17 -4.29 0.06 0.00 0.03 0.00 0.00 46.19 41.82 2nef s LEU 145 CO -0.28 -0.26 0.53 -0.69 0.23 0.00 0.00 176.35 175.87 2nef s VAL 146 N -1.89 -0.01 0.05 -1.59 1.01 -1.16 -3.07 120.40 113.74 2nef s VAL 146 Ca 0.57 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2nef s VAL 146 Cb -0.14 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2nef s VAL 146 CO 0.19 0.02 1.12 -2.16 0.00 0.00 0.00 175.10 174.27 2nef s PRO 147 N 1.12 4.48 0.00 2.72 0.04 -1.26 -3.13 135.00 138.97 2nef s PRO 147 Ca -0.07 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2nef s PRO 147 Cb -0.06 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2nef s PRO 147 CO -0.11 -0.17 0.00 0.28 0.04 0.00 0.00 177.00 177.04 2nef n VAL 148 N 3.85 0.00 -2.79 -0.36 0.31 -1.26 -5.04 118.33 113.04 2nef n VAL 148 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.31 2nef n VAL 148 Cb 0.48 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.45 2nef n VAL 148 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nef n GLU 149 N 0.00 0.81 -0.24 5.55 1.02 -1.26 -5.00 120.64 121.53 2nef n GLU 149 Ca 0.00 -1.92 -0.02 0.00 -0.02 0.00 0.00 57.16 55.20 2nef n GLU 149 Cb 0.00 -1.39 0.06 0.00 -0.02 0.00 0.00 31.44 30.09 2nef n GLU 149 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2nef n PRO 150 N 1.42 1.52 -1.58 3.49 -0.04 -1.26 -4.88 135.00 133.67 2nef n PRO 150 Ca 0.10 -0.67 -0.36 0.00 -0.04 0.00 0.00 63.50 62.53 2nef n PRO 150 Cb 0.63 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nef s GLU 151 N -1.00 2.12 0.00 0.54 0.41 -1.26 -4.86 118.70 114.65 2nef s GLU 151 Ca 0.12 1.38 0.00 0.00 -0.41 0.00 0.00 54.97 56.06 2nef s GLU 151 Cb 0.10 -4.58 0.00 0.00 -1.78 0.00 0.00 34.13 27.87 2nef s GLU 151 CO 0.03 -3.25 0.00 1.63 -0.49 0.00 0.00 175.26 173.17 2nef n LYS 152 N 9.02 0.00 -2.79 1.61 5.02 -1.26 -4.95 118.16 124.81 2nef n LYS 152 Ca 0.36 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.31 2nef n LYS 152 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 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 4.03 0.09 -0.35 1.43 -1.26 -4.97 118.68 117.65 2nef s LEU 153 Ca 0.00 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.71 2nef s LEU 153 Cb 0.00 -4.42 -0.19 0.00 0.03 0.00 0.00 46.19 41.62 2nef s LEU 153 CO 0.00 -0.32 1.26 -0.08 0.23 0.00 0.00 176.35 177.44 2nef h GLU 154 N 2.19 0.74 -7.51 1.70 4.57 -2.02 -3.45 114.58 110.80 2nef h GLU 154 Ca -0.49 -0.69 -0.44 0.00 -1.18 0.00 0.00 59.36 56.56 2nef h GLU 154 Cb 1.19 0.17 0.16 0.00 -0.16 0.00 0.00 28.75 30.11 2nef h GLU 154 CO 0.62 1.28 0.25 -1.21 -1.18 0.00 0.00 179.01 178.78 2nef s GLU 155 N -3.54 0.13 -0.29 1.92 2.02 -1.26 -5.08 118.70 112.60 2nef s GLU 155 Ca -0.10 0.05 -0.14 0.00 0.02 0.00 0.00 54.97 54.80 2nef s GLU 155 Cb 0.08 -1.74 0.10 0.00 0.10 0.00 0.00 34.13 32.67 2nef s GLU 155 CO 0.91 -2.84 0.69 0.00 0.02 0.00 0.00 175.26 174.04 2nef s ALA 156 N -3.27 -1.97 0.00 5.21 0.00 -1.26 -5.09 121.76 115.37 2nef s ALA 156 Ca 0.69 2.39 0.00 0.00 0.00 0.00 0.00 51.96 55.03 2nef s ALA 156 Cb -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2nef s ALA 156 CO 0.55 -0.60 0.17 -1.71 0.00 0.00 0.00 175.76 174.17 2nef n ASN 157 N 4.75 0.00 -3.84 0.00 5.15 -1.26 -4.76 115.26 115.31 2nef n ASN 157 Ca -0.17 0.17 -0.28 0.00 -0.60 0.00 0.00 54.58 53.70 2nef n ASN 157 Cb 0.55 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 40.05 2nef n ASN 157 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2nef n LYS 158 N -0.18 -3.31 -1.90 1.20 5.02 -1.26 -4.83 118.16 112.90 2nef n LYS 158 Ca 0.00 -0.97 -0.36 0.00 -2.02 0.00 0.00 58.31 54.97 2nef n LYS 158 Cb 0.00 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.10 2nef n LYS 158 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nef n ASP 174 N -4.24 7.44 -4.60 4.39 8.00 -1.26 -4.94 116.55 121.32 2nef n ASP 174 Ca 0.07 -3.27 -0.42 0.00 0.71 0.00 0.00 54.79 51.88 2nef n ASP 174 Cb 0.55 -1.28 -0.04 0.00 -0.02 0.00 0.00 41.12 40.33 2nef n ASP 174 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2nef s ASP 175 N 0.09 6.67 0.16 -2.24 1.01 -1.26 -5.04 116.67 116.05 2nef s ASP 175 Ca 0.54 0.58 0.00 0.00 0.71 0.00 0.00 52.55 54.37 2nef s ASP 175 Cb 0.26 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.75 2nef s ASP 175 CO -0.16 -0.79 0.00 -0.81 0.21 0.00 0.00 175.17 173.62 2nef n PRO 176 N 6.60 1.03 -2.61 8.23 -0.04 -1.26 -4.93 135.00 142.02 2nef n PRO 176 Ca 0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 2nef n PRO 176 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 2nef n PRO 176 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2nef s GLU 177 N -0.23 3.44 0.75 0.54 2.12 -1.26 -4.99 118.70 119.07 2nef s GLU 177 Ca 0.00 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.32 2nef s GLU 177 Cb 0.00 -4.89 0.04 0.00 0.26 0.00 0.00 34.13 29.54 2nef s GLU 177 CO 0.00 -2.13 1.08 1.03 -0.54 0.00 0.00 175.26 174.70 2nef s ARG 178 N 4.93 2.46 -1.00 4.30 1.81 -1.26 -4.91 118.95 125.29 2nef s ARG 178 Ca 0.40 0.81 -0.23 0.00 -1.72 0.00 0.00 55.73 54.98 2nef s ARG 178 Cb -0.04 -1.95 0.01 0.00 -0.45 0.00 0.00 34.95 32.53 2nef s ARG 178 CO -0.01 -1.40 1.65 -1.21 -0.68 0.00 0.00 175.30 173.65 2nef s GLU 179 N -5.09 3.21 -0.82 3.54 2.02 -1.26 -4.91 118.70 115.39 2nef s GLU 179 Ca 0.60 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 54.54 2nef s GLU 179 Cb -0.14 -5.26 0.15 0.00 0.10 0.00 0.00 34.13 28.97 2nef s GLU 179 CO 0.55 -2.68 0.94 0.08 0.02 0.00 0.00 175.26 174.16 2nef s VAL 180 N 6.94 4.96 -0.00 2.63 1.01 -1.26 -4.72 120.40 129.95 2nef s VAL 180 Ca 0.56 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 60.96 2nef s VAL 180 Cb -0.02 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 2nef s VAL 180 CO -0.05 -1.30 -0.20 -0.76 0.00 0.00 0.00 175.10 172.79 2nef s LEU 181 N 2.08 2.45 -0.03 3.92 1.43 -1.21 -3.98 118.68 123.34 2nef s LEU 181 Ca 0.24 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 2nef s LEU 181 Cb -0.11 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2nef s LEU 181 CO -0.05 0.30 -0.13 -1.83 0.23 0.00 0.00 176.35 174.87 2nef s GLU 182 N -0.98 2.45 -0.42 1.70 -1.05 -1.18 0.31 118.70 119.53 2nef s GLU 182 Ca 0.12 -0.74 -0.28 0.00 -0.15 0.00 0.00 54.97 53.92 2nef s GLU 182 Cb -0.10 -2.38 0.00 0.00 -0.44 0.00 0.00 34.13 31.21 2nef s GLU 182 CO 0.02 0.61 1.54 -1.58 0.95 0.00 0.00 175.26 176.80 2nef s TRP 183 N -0.82 2.18 -0.81 4.83 0.51 -1.11 -2.99 118.94 120.74 2nef s TRP 183 Ca 0.13 0.64 -0.18 0.00 -2.12 0.00 0.00 56.10 54.57 2nef s TRP 183 Cb -0.11 -4.26 0.15 0.00 -0.81 0.00 0.00 33.47 28.44 2nef s TRP 183 CO 0.03 -2.27 0.92 0.50 -0.51 0.00 0.00 176.95 175.62 2nef s ARG 184 N 5.32 3.44 0.27 4.98 3.52 -0.18 0.57 118.95 136.87 2nef s ARG 184 Ca 0.66 -1.80 -0.29 0.00 -0.13 0.00 0.00 55.73 54.16 2nef s ARG 184 Cb -0.16 -4.59 -0.10 0.00 -1.56 0.00 0.00 34.95 28.54 2nef s ARG 184 CO 0.31 -1.59 1.36 0.12 -0.81 0.00 0.00 175.30 174.70 2nef s PHE 185 N 2.06 3.07 -0.46 5.12 2.19 -1.26 -2.47 117.98 126.24 2nef s PHE 185 Ca 0.23 1.22 0.07 0.00 0.33 0.00 0.00 56.93 58.78 2nef s PHE 185 Cb -0.12 -3.72 0.24 0.00 -1.31 0.00 0.00 43.02 38.11 2nef s PHE 185 CO -0.05 -2.20 0.75 -3.47 1.83 0.00 0.00 175.22 172.09 2nef n ASP 186 N 1.77 -1.83 0.08 6.13 2.03 -0.92 -4.97 116.55 118.83 2nef n ASP 186 Ca 0.04 -3.08 0.01 0.00 0.52 0.00 0.00 54.79 52.28 2nef n ASP 186 Cb 0.41 0.96 0.06 0.00 -0.72 0.00 0.00 41.12 41.83 2nef n ASP 186 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2nef n SER 187 N 1.60 0.06 0.03 1.67 7.64 -1.26 -0.44 113.62 122.91 2nef n SER 187 Ca 0.13 0.22 0.02 0.00 1.01 0.00 0.00 58.87 60.26 2nef n SER 187 Cb 0.59 -0.13 0.38 0.00 -1.01 0.00 0.00 64.21 64.04 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2nef h ARG 188 N 0.00 0.46 0.00 1.43 2.43 -1.93 0.40 114.38 117.16 2nef h ARG 188 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2nef h ARG 188 Cb 0.99 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2nef h ARG 188 CO 0.00 0.42 0.00 1.28 -1.51 0.00 0.00 179.97 180.16 2nef n LEU 189 N -4.36 0.00 0.00 3.80 4.77 0.41 -2.18 117.00 119.44 2nef n LEU 189 Ca 0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2nef n LEU 189 Cb 0.17 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.68 2nef n LEU 189 CO 0.37 0.00 0.65 0.00 -1.33 0.00 0.00 177.39 177.08 2nef n ALA 190 N -0.85 2.20 0.03 -1.18 0.00 0.13 -3.99 120.51 116.85 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 -0.86 -0.36 -2.40 0.00 3.72 -0.93 -4.86 117.46 111.77 2nef n PHE 191 Ca 0.11 0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 2nef n PHE 191 Cb 0.05 0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 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 -1.32 3.17 -0.40 1.38 2.46 -1.26 -4.99 115.29 114.34 2nef s HIS 192 Ca 0.00 1.15 -0.17 0.00 0.47 0.00 0.00 55.06 56.51 2nef s HIS 192 Cb 0.00 -3.47 0.01 0.00 -0.13 0.00 0.00 32.58 28.99 2nef s HIS 192 CO 0.00 -1.54 0.41 -3.38 -2.47 0.00 0.00 174.74 167.76 2nef s HIS 193 N 2.03 3.19 0.05 3.88 -3.43 -1.26 -4.65 115.29 115.10 2nef s HIS 193 Ca 0.58 -0.29 -0.07 0.00 -0.80 0.00 0.00 55.06 54.47 2nef s HIS 193 Cb -0.27 -2.81 -0.30 0.00 -1.43 0.00 0.00 32.58 27.76 2nef s HIS 193 CO 0.24 -0.62 1.07 0.00 -2.00 0.00 0.00 174.74 173.43 2nef h MET 194 N 8.65 0.35 -0.88 -0.38 -0.00 -1.94 -3.22 114.93 117.51 2nef h MET 194 Ca -0.27 -0.59 0.17 0.00 -0.00 0.00 0.00 59.70 59.00 2nef h MET 194 Cb 1.12 0.22 -0.07 0.00 -0.00 0.00 0.00 31.60 32.87 2nef h MET 194 CO 0.76 1.27 0.57 0.00 -0.00 0.00 0.00 176.91 179.52 2nef h ALA 195 N 0.45 2.00 -0.03 -3.00 0.00 -1.91 0.34 119.26 117.11 2nef h ALA 195 Ca -0.18 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2nef h ALA 195 Cb 2.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2nef h ALA 195 CO 0.22 -0.26 -0.60 -0.09 0.00 0.00 0.00 179.25 178.52 2nef h ARG 196 N 0.55 0.12 0.00 0.00 2.43 -1.88 -2.80 114.38 112.79 2nef h ARG 196 Ca 0.45 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 2nef h ARG 196 Cb 0.91 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2nef h ARG 196 CO -0.19 0.68 -0.29 1.49 -1.51 0.00 0.00 179.97 180.15 2nef h GLU 197 N 0.09 0.00 0.00 0.20 4.81 -0.38 -3.34 114.58 115.96 2nef h GLU 197 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2nef h GLU 197 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2nef h GLU 197 CO 0.09 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.94 2nef n LEU 198 N -3.54 1.42 -3.34 1.64 4.32 -0.73 -4.92 117.00 111.85 2nef n LEU 198 Ca -0.00 0.29 -0.12 0.00 -0.02 0.00 0.00 56.01 56.16 2nef n LEU 198 Cb 0.44 -0.23 -0.07 0.00 -1.62 0.00 0.00 43.42 41.94 2nef n LEU 198 CO 0.35 -0.23 -0.10 -1.38 -1.22 0.00 0.00 177.39 174.81 2nef s HIS 199 N -0.64 -0.81 -0.88 -1.77 -3.43 -1.14 -5.10 115.29 101.53 2nef s HIS 199 Ca 0.00 0.25 -0.22 0.00 -0.80 0.00 0.00 55.06 54.29 2nef s HIS 199 Cb 0.00 -0.23 0.09 0.00 -1.43 0.00 0.00 32.58 31.01 2nef s HIS 199 CO 0.00 -0.92 1.20 -1.25 -2.00 0.00 0.00 174.74 171.77 2nef s PRO 200 N 2.49 3.46 0.00 -0.38 0.04 -1.25 -4.85 135.00 134.50 2nef s PRO 200 Ca 0.10 -1.24 0.00 0.00 0.04 0.00 0.00 61.00 59.90 2nef s PRO 200 Cb -0.13 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.58 2nef s PRO 200 CO -0.29 -1.94 0.00 0.39 0.04 0.00 0.00 177.00 175.20 2nef n GLU 201 N 7.73 0.00 0.00 4.56 4.71 -1.26 -4.51 120.64 131.86 2nef n GLU 201 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 2nef n GLU 201 Cb 0.49 -0.06 0.00 0.00 -1.01 0.00 0.00 31.44 30.85 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2nef n TYR 202 N -1.42 0.00 0.94 -0.32 4.02 -1.26 -3.34 117.16 115.79 2nef n TYR 202 Ca 0.00 -0.18 0.11 0.00 -0.01 0.00 0.00 57.90 57.83 2nef n TYR 202 Cb 0.00 -0.15 0.13 0.00 -0.02 0.00 0.00 39.34 39.30 2nef n TYR 202 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2nef n PHE 203 N 0.21 0.04 -3.64 -0.72 3.01 -1.26 -4.91 117.46 110.20 2nef n PHE 203 Ca 0.00 0.01 -0.05 0.00 1.01 0.00 0.00 57.45 58.42 2nef n PHE 203 Cb 0.33 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 2nef n PHE 203 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2nef s LYS 204 N -3.02 0.45 -0.20 -1.08 2.36 -1.21 -5.06 119.74 111.97 2nef s LYS 204 Ca 0.09 0.69 0.08 0.00 -2.55 0.00 0.00 55.97 54.28 2nef s LYS 204 Cb 0.17 0.14 0.25 0.00 -1.05 0.00 0.00 37.83 37.33 2nef s LYS 204 CO 0.75 -0.08 1.13 0.27 1.55 0.00 0.00 175.35 178.98 2nef n ASN 205 N 3.23 -0.90 -0.07 1.43 2.04 -1.26 -4.94 115.26 114.78 2nef n ASN 205 Ca -0.17 -1.74 0.16 0.00 -0.44 0.00 0.00 54.58 52.39 2nef n ASN 205 Cb 0.57 0.42 0.89 0.00 -2.53 0.00 0.00 39.78 39.13 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82