#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8v s ALA 2 N 0.00 2.72 0.29 3.04 0.00 -1.26 -4.94 121.76 121.61 2f8v s ALA 2 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.18 2f8v s ALA 2 Cb 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 23.12 21.29 2f8v s ALA 2 CO 0.00 -0.85 1.61 0.25 0.00 0.00 0.00 175.76 176.77 2f8v n THR 3 N 4.67 0.99 -3.89 0.00 -2.24 -1.26 -4.74 114.28 107.81 2f8v n THR 3 Ca -0.16 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 2f8v n THR 3 Cb 0.47 -1.98 -0.05 0.00 -2.10 0.00 0.00 70.33 66.66 2f8v n THR 3 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2f8v s SER 4 N 0.53 6.38 -0.25 3.42 0.01 0.11 -4.97 113.70 118.93 2f8v s SER 4 Ca 0.64 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.31 2f8v s SER 4 Cb -0.49 -2.03 0.07 0.00 0.21 0.00 0.00 66.02 63.77 2f8v s SER 4 CO 0.48 0.33 -0.01 -1.61 0.41 0.00 0.00 173.24 172.83 2f8v s GLU 5 N -1.55 1.36 -0.15 12.44 0.41 -1.26 -1.52 118.70 128.44 2f8v s GLU 5 Ca 0.22 -0.98 -0.07 0.00 -0.41 0.00 0.00 54.97 53.73 2f8v s GLU 5 Cb -0.12 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.69 2f8v s GLU 5 CO 0.12 -0.68 0.10 -0.51 -0.49 0.00 0.00 175.26 173.81 2f8v s LEU 6 N 1.45 4.09 0.04 1.80 1.02 0.68 -5.01 118.68 122.77 2f8v s LEU 6 Ca -0.02 0.27 0.08 0.00 0.02 0.00 0.00 54.13 54.49 2f8v s LEU 6 Cb -0.18 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 2f8v s LEU 6 CO -0.09 0.29 -0.23 -0.44 0.02 0.00 0.00 176.35 175.90 2f8v s SER 7 N -0.35 3.41 0.11 2.29 0.01 -1.26 -1.55 113.70 116.36 2f8v s SER 7 Ca 0.10 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 56.91 2f8v s SER 7 Cb -0.12 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 2f8v s SER 7 CO 0.01 0.26 -0.12 -0.44 0.41 0.00 0.00 173.24 173.36 2f8v s SER 8 N -1.31 4.27 0.05 2.44 0.01 -1.05 -4.87 113.70 113.24 2f8v s SER 8 Ca 0.13 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.00 2f8v s SER 8 Cb -0.10 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 2f8v s SER 8 CO 0.03 0.17 -0.13 -1.61 0.41 0.00 0.00 173.24 172.11 2f8v s GLU 9 N -2.22 0.84 -0.00 12.44 8.01 -1.26 -2.21 118.70 134.29 2f8v s GLU 9 Ca 0.21 -0.84 0.03 0.00 0.01 0.00 0.00 54.97 54.38 2f8v s GLU 9 Cb -0.11 -0.83 -0.01 0.00 -4.31 0.00 0.00 34.13 28.87 2f8v s GLU 9 CO 0.13 0.19 -0.08 0.08 0.01 0.00 0.00 175.26 175.59 2f8v s VAL 10 N -1.07 0.65 -0.16 2.63 1.01 -0.34 -5.00 120.40 118.12 2f8v s VAL 10 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 2f8v s VAL 10 Cb -0.09 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.82 2f8v s VAL 10 CO 0.02 0.17 0.16 -0.55 0.00 0.00 0.00 175.10 174.90 2f8v s SER 11 N -0.23 1.57 0.08 3.32 0.15 -1.26 -1.38 113.70 115.95 2f8v s SER 11 Ca 0.03 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.53 2f8v s SER 11 Cb -0.03 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2f8v s SER 11 CO -0.00 -0.32 -0.22 -1.61 1.20 0.00 0.00 173.24 172.29 2f8v s GLU 12 N 2.25 1.32 0.02 5.44 2.02 -0.25 -5.02 118.70 124.49 2f8v s GLU 12 Ca 0.04 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 2f8v s GLU 12 Cb -0.15 -1.57 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 2f8v s GLU 12 CO -0.10 0.38 -0.00 -1.83 0.02 0.00 0.00 175.26 173.73 2f8v s GLU 13 N -1.61 0.36 -0.21 1.61 4.04 -1.26 -0.96 118.70 120.67 2f8v s GLU 13 Ca 0.08 -0.62 -0.02 0.00 0.04 0.00 0.00 54.97 54.46 2f8v s GLU 13 Cb -0.10 0.13 0.06 0.00 0.02 0.00 0.00 34.13 34.25 2f8v s GLU 13 CO 0.03 -0.06 0.02 1.21 -1.84 0.00 0.00 175.26 174.62 2f8v s ASN 14 N -1.55 3.10 0.17 0.83 3.84 0.13 -4.99 114.94 116.48 2f8v s ASN 14 Ca -0.14 -0.91 0.25 0.00 0.21 0.00 0.00 52.86 52.26 2f8v s ASN 14 Cb -0.09 -0.70 0.47 0.00 -0.55 0.00 0.00 41.25 40.39 2f8v s ASN 14 CO -0.01 -0.30 1.46 0.77 -2.79 0.00 0.00 177.10 176.23 2f8v h SER 15 N 8.19 0.00 0.41 -4.21 4.64 -1.96 0.27 113.55 120.89 2f8v h SER 15 Ca -0.16 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 60.91 2f8v h SER 15 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2f8v h SER 15 CO 0.35 0.06 -0.54 -0.08 -0.87 0.00 0.00 176.83 175.75 2f8v h GLU 16 N 0.00 0.15 -0.00 4.77 4.81 -1.96 -3.30 114.58 119.04 2f8v h GLU 16 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2f8v h GLU 16 Cb 0.77 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2f8v h GLU 16 CO 0.00 0.65 -0.06 0.54 -0.73 0.00 0.00 179.01 179.41 2f8v n ARG 17 N -3.91 3.11 -3.34 1.92 5.12 -1.21 -5.03 116.66 113.33 2f8v n ARG 17 Ca -0.02 -0.30 -0.18 0.00 -1.93 0.00 0.00 57.85 55.42 2f8v n ARG 17 Cb 0.57 -0.81 0.07 0.00 -1.16 0.00 0.00 32.46 31.12 2f8v n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2f8v n ARG 18 N -0.51 -2.26 -4.43 5.56 5.12 0.82 -5.03 116.66 115.92 2f8v n ARG 18 Ca 0.01 0.79 -0.21 0.00 -1.93 0.00 0.00 57.85 56.51 2f8v n ARG 18 Cb 0.05 -5.51 -0.14 0.00 -1.16 0.00 0.00 32.46 25.70 2f8v n ARG 18 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2f8v s GLU 19 N -4.74 1.02 0.23 5.56 2.02 -0.38 -4.99 118.70 117.42 2f8v s GLU 19 Ca 0.44 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.69 2f8v s GLU 19 Cb -0.08 -1.04 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 2f8v s GLU 19 CO 0.76 0.26 0.12 0.00 0.02 0.00 0.00 175.26 176.42 2f8v s ALA 20 N -0.76 1.45 -0.18 5.21 0.00 -1.26 0.23 121.76 126.44 2f8v s ALA 20 Ca 0.03 -1.78 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 2f8v s ALA 20 Cb -0.08 1.23 0.07 0.00 0.00 0.00 0.00 23.12 24.34 2f8v s ALA 20 CO 0.01 -0.53 0.67 0.12 0.00 0.00 0.00 175.76 176.03 2f8v s PHE 21 N -3.95 -0.70 0.06 0.00 5.36 -0.13 -4.98 117.98 113.63 2f8v s PHE 21 Ca 0.38 1.56 -0.12 0.00 -0.96 0.00 0.00 56.93 57.79 2f8v s PHE 21 Cb 0.07 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 43.06 2f8v s PHE 21 CO 0.13 -0.44 0.27 -0.46 -1.46 0.00 0.00 175.22 173.26 2f8v s TRP 22 N -0.17 -0.03 -0.19 10.12 -0.00 -1.26 -1.09 118.94 126.31 2f8v s TRP 22 Ca -0.04 -0.19 -0.28 0.00 -0.00 0.00 0.00 56.10 55.60 2f8v s TRP 22 Cb -0.03 0.05 0.11 0.00 -0.00 0.00 0.00 33.47 33.60 2f8v s TRP 22 CO 0.04 -0.51 0.90 0.00 -0.00 0.00 0.00 176.95 177.38 2f8v s ALA 23 N -2.88 -1.89 -0.21 5.86 0.00 -0.48 -4.98 121.76 117.19 2f8v s ALA 23 Ca -0.03 1.70 -0.20 0.00 0.00 0.00 0.00 51.96 53.43 2f8v s ALA 23 Cb 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.30 2f8v s ALA 23 CO -0.05 -0.30 0.56 -2.00 0.00 0.00 0.00 175.76 173.97 2f8v s GLU 24 N -0.46 0.67 0.12 0.00 2.12 -1.26 -1.19 118.70 118.70 2f8v s GLU 24 Ca -0.02 0.77 -0.22 0.00 0.36 0.00 0.00 54.97 55.86 2f8v s GLU 24 Cb -0.03 0.32 0.06 0.00 0.26 0.00 0.00 34.13 34.75 2f8v s GLU 24 CO 0.01 -0.08 0.55 1.67 -0.54 0.00 0.00 175.26 176.86 2f8v s TRP 25 N 0.26 -0.45 -0.63 5.30 -2.14 -0.94 -5.02 118.94 115.32 2f8v s TRP 25 Ca -0.00 0.29 -0.27 0.00 2.66 0.00 0.00 56.10 58.78 2f8v s TRP 25 Cb -0.04 0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 30.77 2f8v s TRP 25 CO 0.01 -0.77 1.70 0.15 -2.66 0.00 0.00 176.95 175.38 2f8v s LYS 26 N -3.45 2.82 -0.12 3.25 1.02 -1.26 -2.51 119.74 119.49 2f8v s LYS 26 Ca -0.00 0.44 -0.04 0.00 0.02 0.00 0.00 55.97 56.39 2f8v s LYS 26 Cb -0.00 -4.32 -0.01 0.00 -0.52 0.00 0.00 37.83 32.98 2f8v s LYS 26 CO -0.10 -2.52 -0.08 0.22 -0.92 0.00 0.00 175.35 171.95 2f8v h ASP 27 N 13.56 0.00 -3.47 2.83 1.82 -1.56 -3.42 116.42 126.18 2f8v h ASP 27 Ca -0.27 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.87 2f8v h ASP 27 Cb 1.13 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 40.81 2f8v h ASP 27 CO 1.22 0.60 -0.81 -0.22 -1.61 0.00 0.00 179.24 178.42 2f8v s LEU 28 N -8.29 1.65 -0.15 2.28 0.20 -0.86 -1.37 118.68 112.14 2f8v s LEU 28 Ca -0.06 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.48 2f8v s LEU 28 Cb 0.01 -0.79 0.00 0.00 -0.43 0.00 0.00 46.19 44.98 2f8v s LEU 28 CO 0.10 0.04 -0.18 0.28 -0.29 0.00 0.00 176.35 176.29 2f8v s THR 29 N 0.62 2.41 -0.24 3.68 -1.32 -0.76 -0.23 115.64 119.81 2f8v s THR 29 Ca -0.13 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.46 2f8v s THR 29 Cb -0.15 -2.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.85 2f8v s THR 29 CO 0.03 0.53 -0.04 -0.22 -2.21 0.00 0.00 174.62 172.71 2f8v s LEU 30 N 0.85 3.09 0.17 9.08 2.96 -0.58 -1.88 118.68 132.37 2f8v s LEU 30 Ca -0.05 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2f8v s LEU 30 Cb -0.15 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2f8v s LEU 30 CO -0.01 -0.09 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.47 2f8v s SER 31 N 1.41 4.66 -0.28 3.68 0.01 0.28 -0.71 113.70 122.75 2f8v s SER 31 Ca 0.03 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 2f8v s SER 31 Cb -0.15 -0.95 0.04 0.00 0.21 0.00 0.00 66.02 65.16 2f8v s SER 31 CO -0.04 0.09 -0.03 -0.89 0.41 0.00 0.00 173.24 172.79 2f8v s THR 32 N -1.72 2.95 0.32 1.44 2.01 -1.26 -0.08 115.64 119.29 2f8v s THR 32 Ca 0.27 -1.21 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 2f8v s THR 32 Cb -0.09 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.72 2f8v s THR 32 CO 0.18 0.04 0.86 -0.13 -0.69 0.00 0.00 174.62 174.87 2f8v s ARG 33 N 1.29 4.34 0.28 4.92 1.81 0.31 -3.27 118.95 128.63 2f8v s ARG 33 Ca -0.03 1.07 -0.29 0.00 -1.72 0.00 0.00 55.73 54.76 2f8v s ARG 33 Cb -0.18 -2.64 -0.09 0.00 -0.45 0.00 0.00 34.95 31.59 2f8v s ARG 33 CO -0.03 0.23 1.16 -1.25 -0.68 0.00 0.00 175.30 174.73 2f8v s PRO 34 N -2.40 4.56 0.45 3.54 0.04 -1.26 -3.32 135.00 136.60 2f8v s PRO 34 Ca 0.51 1.90 0.27 0.00 0.04 0.00 0.00 61.00 63.72 2f8v s PRO 34 Cb -0.15 -3.17 1.32 0.00 0.04 0.00 0.00 34.50 32.54 2f8v s PRO 34 CO 0.20 0.09 1.72 1.05 0.04 0.00 0.00 177.00 180.10 2f8v h GLU 35 N 3.94 0.20 0.00 4.56 4.11 -1.92 1.46 114.58 126.93 2f8v h GLU 35 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2f8v h GLU 35 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2f8v h GLU 35 CO 0.68 0.13 0.10 0.39 0.07 0.00 0.00 179.01 180.38 2f8v n GLU 36 N -4.53 0.12 0.09 1.06 4.71 -1.26 -1.48 120.64 119.36 2f8v n GLU 36 Ca 0.30 0.61 -0.02 0.00 -0.01 0.00 0.00 57.16 58.04 2f8v n GLU 36 Cb 1.17 -2.01 0.21 0.00 -1.01 0.00 0.00 31.44 29.81 2f8v n GLU 36 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2f8v h GLY 37 N 0.00 0.26 -6.98 0.62 0.00 0.18 -3.39 103.07 93.75 2f8v h GLY 37 Ca 0.00 -0.26 -0.49 0.00 0.00 0.00 0.00 47.33 46.59 2f8v h GLY 37 CO 0.00 0.23 -0.76 -1.35 0.00 0.00 0.00 176.54 174.66 2f8v s SER 38 N -6.88 2.77 0.19 0.19 1.04 -0.55 -5.09 113.70 105.37 2f8v s SER 38 Ca -0.04 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.56 2f8v s SER 38 Cb 0.13 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 2f8v s SER 38 CO 0.77 -0.38 -0.01 -0.94 0.98 0.00 0.00 173.24 173.66 2f8v s SER 39 N 2.10 1.45 0.02 7.02 1.04 -1.26 -2.65 113.70 121.42 2f8v s SER 39 Ca 0.04 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2f8v s SER 39 Cb -0.16 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 2f8v s SER 39 CO -0.18 -0.52 -0.03 -0.22 0.98 0.00 0.00 173.24 173.27 2f8v s LEU 40 N -3.21 2.18 -0.29 2.42 2.96 -0.07 -5.00 118.68 117.67 2f8v s LEU 40 Ca 0.24 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 2f8v s LEU 40 Cb 0.05 0.05 0.12 0.00 0.50 0.00 0.00 46.19 46.92 2f8v s LEU 40 CO 0.05 -0.21 0.81 -2.28 -1.32 0.00 0.00 176.35 173.39 2f8v s HIS 41 N -1.07 -0.94 -0.03 5.38 5.65 -1.26 -1.62 115.29 121.40 2f8v s HIS 41 Ca -0.11 1.76 0.03 0.00 0.25 0.00 0.00 55.06 56.99 2f8v s HIS 41 Cb -0.07 0.56 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 2f8v s HIS 41 CO -0.01 -0.47 -0.12 -1.21 -0.65 0.00 0.00 174.74 172.29 2f8v s GLU 42 N 2.01 1.19 -0.09 2.88 2.02 -0.25 -5.01 118.70 121.46 2f8v s GLU 42 Ca -0.07 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 54.55 2f8v s GLU 42 Cb -0.07 -1.09 0.01 0.00 0.10 0.00 0.00 34.13 33.08 2f8v s GLU 42 CO -0.18 0.16 -0.19 -1.21 0.02 0.00 0.00 175.26 173.86 2f8v s GLU 43 N 0.10 2.53 -0.43 1.61 2.02 -1.26 -1.33 118.70 121.94 2f8v s GLU 43 Ca -0.02 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 2f8v s GLU 43 Cb -0.09 -1.96 0.12 0.00 0.10 0.00 0.00 34.13 32.29 2f8v s GLU 43 CO 0.01 0.11 0.20 0.34 0.02 0.00 0.00 175.26 175.94 2f8v s ASP 44 N 0.48 5.06 0.27 -0.19 -1.08 -0.13 -4.96 116.67 116.13 2f8v s ASP 44 Ca -0.17 -2.25 0.26 0.00 -0.52 0.00 0.00 52.55 49.86 2f8v s ASP 44 Cb -0.17 -1.77 0.81 0.00 -1.46 0.00 0.00 42.92 40.33 2f8v s ASP 44 CO 0.07 -0.45 1.75 0.71 0.52 0.00 0.00 175.17 177.76 2f8v h THR 45 N 6.21 0.00 0.00 1.71 1.35 -1.97 0.16 112.91 120.38 2f8v h THR 45 Ca -0.09 -0.50 -0.15 0.00 -0.55 0.00 0.00 66.41 65.12 2f8v h THR 45 Cb 1.02 1.44 0.01 0.00 -1.73 0.00 0.00 68.15 68.89 2f8v h THR 45 CO 0.65 0.00 -0.59 -0.61 -0.25 0.00 0.00 175.52 174.73 2f8v h GLN 46 N 0.00 0.40 -0.41 4.72 4.15 -1.96 -3.34 115.11 118.67 2f8v h GLN 46 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2f8v h GLN 46 Cb 0.69 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2f8v h GLN 46 CO 0.00 1.10 0.00 0.54 -1.93 0.00 0.00 178.83 178.54 2f8v n ARG 47 N -4.23 2.42 -3.87 1.69 1.74 -1.17 -4.99 116.66 108.25 2f8v n ARG 47 Ca -0.10 -2.20 -0.25 0.00 -0.77 0.00 0.00 57.85 54.53 2f8v n ARG 47 Cb 0.67 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.66 2f8v n ARG 47 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2f8v n HIS 48 N 1.23 -1.78 -4.64 -1.55 8.25 0.52 -4.99 115.22 112.27 2f8v n HIS 48 Ca 0.17 0.79 -0.24 0.00 -0.26 0.00 0.00 57.72 58.18 2f8v n HIS 48 Cb 0.54 -3.95 -0.14 0.00 1.12 0.00 0.00 29.99 27.55 2f8v n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f8v s GLU 49 N -6.37 1.32 0.09 -0.41 2.02 -0.96 -5.01 118.70 109.38 2f8v s GLU 49 Ca 0.07 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.26 2f8v s GLU 49 Cb -0.03 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.79 2f8v s GLU 49 CO 0.86 0.36 -0.12 0.95 0.02 0.00 0.00 175.26 177.32 2f8v s THR 50 N -0.72 1.07 0.00 3.63 -4.23 -1.26 -0.95 115.64 113.18 2f8v s THR 50 Ca 0.06 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2f8v s THR 50 Cb -0.08 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 2f8v s THR 50 CO 0.01 -0.40 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.17 2f8v s TYR 51 N -1.91 0.43 -0.04 3.99 5.04 -0.44 -5.01 117.35 119.41 2f8v s TYR 51 Ca 0.03 -0.15 -0.05 0.00 -2.44 0.00 0.00 57.07 54.46 2f8v s TYR 51 Cb -0.06 -0.27 0.01 0.00 0.35 0.00 0.00 41.96 41.98 2f8v s TYR 51 CO 0.02 -0.02 0.14 -1.58 -1.34 0.00 0.00 175.55 172.76 2f8v s HIS 52 N -0.32 -0.11 -0.09 4.97 5.65 -1.26 -1.09 115.29 123.05 2f8v s HIS 52 Ca -0.00 0.26 -0.17 0.00 0.25 0.00 0.00 55.06 55.39 2f8v s HIS 52 Cb -0.03 0.03 0.04 0.00 -1.18 0.00 0.00 32.58 31.43 2f8v s HIS 52 CO -0.00 -0.13 0.41 1.14 -0.65 0.00 0.00 174.74 175.51 2f8v s GLN 53 N -0.28 0.64 0.01 2.88 -2.07 -0.64 -5.02 119.66 115.18 2f8v s GLN 53 Ca -0.04 0.23 -0.09 0.00 -1.82 0.00 0.00 55.36 53.64 2f8v s GLN 53 Cb -0.03 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 2f8v s GLN 53 CO 0.00 -0.14 0.19 1.14 -1.32 0.00 0.00 175.29 175.16 2f8v s GLN 54 N -0.58 0.60 -0.06 9.60 -2.07 -1.26 -0.89 119.66 125.00 2f8v s GLN 54 Ca -0.07 -0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 52.77 2f8v s GLN 54 Cb -0.04 0.25 0.05 0.00 -1.09 0.00 0.00 33.01 32.19 2f8v s GLN 54 CO 0.03 -0.16 0.54 0.20 -1.32 0.00 0.00 175.29 174.58 2f8v s GLY 55 N -1.67 -0.41 0.46 2.60 0.00 -1.09 -4.97 107.32 102.24 2f8v s GLY 55 Ca -0.11 1.03 -0.22 0.00 0.00 0.00 0.00 44.72 45.43 2f8v s GLY 55 CO -0.00 0.74 1.05 1.20 0.00 0.00 0.00 173.10 176.09 2f8v s GLN 56 N -1.02 3.89 -0.02 2.90 -0.21 -1.26 -3.96 119.66 119.98 2f8v s GLN 56 Ca -0.10 1.45 0.02 0.00 0.02 0.00 0.00 55.36 56.74 2f8v s GLN 56 Cb -0.02 -2.25 0.01 0.00 1.00 0.00 0.00 33.01 31.75 2f8v s GLN 56 CO 0.07 -0.37 -0.06 -1.54 -2.12 0.00 0.00 175.29 171.27 2f8v s SER 57 N -1.80 0.83 -0.24 5.90 1.04 -1.21 -4.93 113.70 113.29 2f8v s SER 57 Ca 0.64 -0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.86 2f8v s SER 57 Cb -0.19 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 2f8v s SER 57 CO 0.23 0.02 0.12 -1.10 0.98 0.00 0.00 173.24 173.49 2f8v s GLN 58 N 0.31 3.87 -0.06 4.02 -0.21 -1.26 -0.53 119.66 125.79 2f8v s GLN 58 Ca -0.04 -0.37 -0.05 0.00 0.02 0.00 0.00 55.36 54.92 2f8v s GLN 58 Cb -0.08 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 2f8v s GLN 58 CO -0.00 -0.05 0.17 0.14 -2.12 0.00 0.00 175.29 173.42 2f8v s VAL 59 N 1.32 5.46 -0.16 1.09 -7.23 0.89 -0.49 120.40 121.28 2f8v s VAL 59 Ca 0.06 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2f8v s VAL 59 Cb -0.15 -3.47 0.03 0.00 0.56 0.00 0.00 36.38 33.35 2f8v s VAL 59 CO 0.05 0.48 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.98 2f8v s LEU 60 N -1.47 1.81 -0.16 1.32 0.20 0.23 -0.55 118.68 120.06 2f8v s LEU 60 Ca 0.21 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.44 2f8v s LEU 60 Cb -0.12 -1.15 0.02 0.00 -0.43 0.00 0.00 46.19 44.50 2f8v s LEU 60 CO 0.11 -0.09 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.22 2f8v s VAL 61 N 1.49 1.80 0.16 1.68 1.01 -0.79 -0.90 120.40 124.85 2f8v s VAL 61 Ca 0.03 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2f8v s VAL 61 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2f8v s VAL 61 CO -0.10 0.50 -0.18 -1.58 0.00 0.00 0.00 175.10 173.74 2f8v s GLN 62 N 1.34 1.76 0.20 2.72 0.74 0.36 -1.82 119.66 124.96 2f8v s GLN 62 Ca 0.04 -1.32 -0.07 0.00 0.05 0.00 0.00 55.36 54.05 2f8v s GLN 62 Cb -0.13 -2.03 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 2f8v s GLN 62 CO -0.11 0.44 0.29 -0.98 -0.55 0.00 0.00 175.29 174.38 2f8v s ARG 63 N -2.50 1.28 0.10 1.67 1.70 -0.47 -0.93 118.95 119.79 2f8v s ARG 63 Ca 0.21 -1.35 -0.20 0.00 -0.47 0.00 0.00 55.73 53.92 2f8v s ARG 63 Cb -0.09 0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2f8v s ARG 63 CO 0.11 -0.47 0.48 -1.54 -1.08 0.00 0.00 175.30 172.80 2f8v s SER 64 N -3.04 -0.37 0.53 -2.89 1.04 -1.21 -4.68 113.70 103.06 2f8v s SER 64 Ca 0.26 -0.06 0.26 0.00 0.48 0.00 0.00 55.95 56.88 2f8v s SER 64 Cb 0.03 0.50 1.46 0.00 0.10 0.00 0.00 66.02 68.12 2f8v s SER 64 CO 0.06 -0.81 2.10 -0.65 0.98 0.00 0.00 173.24 174.92 2f8v h PRO 65 N 2.49 0.00 -0.98 4.02 0.11 -1.98 -2.74 132.00 132.92 2f8v h PRO 65 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2f8v h PRO 65 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2f8v h PRO 65 CO 0.43 0.10 0.00 0.91 -0.21 0.00 0.00 178.00 179.23 2f8v n TRP 66 N -3.81 0.00 -2.98 0.65 7.02 -1.26 -4.87 117.44 112.19 2f8v n TRP 66 Ca -0.02 -0.04 -0.10 0.00 -1.02 0.00 0.00 57.50 56.32 2f8v n TRP 66 Cb 0.20 -0.11 0.05 0.00 -2.42 0.00 0.00 31.31 29.03 2f8v n TRP 66 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2f8v n LEU 67 N 0.05 -5.43 -3.59 -0.99 4.77 -1.03 -4.96 117.00 105.82 2f8v n LEU 67 Ca 0.00 -0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 55.49 2f8v n LEU 67 Cb 0.27 -2.90 -0.05 0.00 -2.33 0.00 0.00 43.42 38.41 2f8v n LEU 67 CO 0.00 -0.18 0.37 -0.32 -1.33 0.00 0.00 177.39 175.92 2f8v s MET 68 N -3.90 0.52 0.37 3.23 1.75 -1.26 -2.13 119.30 117.88 2f8v s MET 68 Ca 0.30 1.23 0.07 0.00 -1.25 0.00 0.00 55.69 56.05 2f8v s MET 68 Cb -0.04 0.65 -0.02 0.00 2.84 0.00 0.00 34.83 38.26 2f8v s MET 68 CO 0.64 -0.17 0.35 -1.64 -0.65 0.00 0.00 175.02 173.55 2f8v s MET 69 N 2.57 2.69 -0.12 4.11 -1.94 -1.00 -3.33 119.30 122.28 2f8v s MET 69 Ca -0.06 -1.35 -0.08 0.00 -1.71 0.00 0.00 55.69 52.48 2f8v s MET 69 Cb -0.09 -2.48 0.04 0.00 2.01 0.00 0.00 34.83 34.31 2f8v s MET 69 CO -0.19 -0.02 0.30 0.50 -0.01 0.00 0.00 175.02 175.61 2f8v s ARG 70 N -4.07 0.31 0.13 2.03 6.06 -0.11 -1.74 118.95 121.56 2f8v s ARG 70 Ca 0.44 0.53 -0.17 0.00 -2.50 0.00 0.00 55.73 54.03 2f8v s ARG 70 Cb -0.05 0.03 0.04 0.00 0.06 0.00 0.00 34.95 35.03 2f8v s ARG 70 CO 0.28 -0.11 0.43 0.00 -2.50 0.00 0.00 175.30 173.40 2f8v s MET 71 N 0.77 1.10 0.00 5.12 0.23 -0.61 0.14 119.30 126.05 2f8v s MET 71 Ca -0.05 -0.65 0.00 0.00 -1.03 0.00 0.00 55.69 53.96 2f8v s MET 71 Cb -0.06 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.73 2f8v s MET 71 CO -0.05 -0.44 0.00 0.41 -2.03 0.00 0.00 175.02 172.91 2f8v n GLY 72 N -0.22 -0.91 3.83 3.16 0.00 -0.08 -0.60 105.19 110.39 2f8v n GLY 72 Ca -0.16 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 2f8v n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f8v s ILE 73 N -2.00 5.33 -0.49 -0.61 -1.09 -1.26 0.76 121.20 121.84 2f8v s ILE 73 Ca 0.00 0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 2f8v s ILE 73 Cb 0.00 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2f8v s ILE 73 CO 0.00 0.56 1.24 -0.22 -1.23 0.00 0.00 174.94 175.29 2f8v s LEU 74 N -0.73 3.57 0.00 2.97 2.96 0.36 -1.44 118.68 126.38 2f8v s LEU 74 Ca 0.17 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2f8v s LEU 74 Cb -0.13 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2f8v s LEU 74 CO 0.06 -1.37 0.00 0.61 -1.32 0.00 0.00 176.35 174.33 2f8v n GLY 75 N 4.98 2.56 4.02 7.98 0.00 -1.26 -4.81 105.19 118.65 2f8v n GLY 75 Ca 0.13 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2f8v n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f8v s ARG 76 N 0.00 2.44 0.73 1.61 1.81 -0.52 -5.08 118.95 119.95 2f8v s ARG 76 Ca 0.00 -1.39 -0.11 0.00 -1.72 0.00 0.00 55.73 52.52 2f8v s ARG 76 Cb 0.00 -2.64 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 2f8v s ARG 76 CO 0.00 -0.71 1.07 0.20 -0.68 0.00 0.00 175.30 175.19 2f8v s GLY 77 N -4.55 1.67 0.31 -3.53 0.00 -1.26 -4.65 107.32 95.31 2f8v s GLY 77 Ca 0.60 0.12 -0.11 0.00 0.00 0.00 0.00 44.72 45.32 2f8v s GLY 77 CO 0.37 0.46 0.68 1.08 0.00 0.00 0.00 173.10 175.69 2f8v s LEU 78 N -5.71 4.03 -0.06 0.66 1.43 -1.26 -4.37 118.68 113.40 2f8v s LEU 78 Ca 0.59 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2f8v s LEU 78 Cb -0.15 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2f8v s LEU 78 CO 0.55 -0.22 -0.12 -1.58 0.23 0.00 0.00 176.35 175.22 2f8v s GLN 79 N -3.20 2.58 -0.19 1.70 2.00 0.23 -4.93 119.66 117.85 2f8v s GLN 79 Ca 0.51 -0.65 -0.03 0.00 -2.00 0.00 0.00 55.36 53.19 2f8v s GLN 79 Cb -0.11 -2.44 -0.01 0.00 0.80 0.00 0.00 33.01 31.25 2f8v s GLN 79 CO 0.23 0.63 -0.07 -1.21 -0.50 0.00 0.00 175.29 174.37 2f8v s GLU 80 N -0.74 3.39 0.16 1.67 2.02 -1.26 -1.57 118.70 122.38 2f8v s GLU 80 Ca 0.11 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.53 2f8v s GLU 80 Cb -0.11 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 2f8v s GLU 80 CO 0.01 -0.06 0.03 0.71 0.02 0.00 0.00 175.26 175.96 2f8v s TYR 81 N 1.11 2.92 -0.38 1.61 1.51 -0.71 -5.00 117.35 118.39 2f8v s TYR 81 Ca 0.01 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 55.85 2f8v s TYR 81 Cb -0.15 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 2f8v s TYR 81 CO -0.01 0.51 0.23 -1.14 -1.11 0.00 0.00 175.55 174.03 2f8v s GLN 82 N -2.91 2.83 1.45 -0.62 2.00 -1.26 -2.36 119.66 118.78 2f8v s GLN 82 Ca 0.28 -1.09 -0.23 0.00 -2.00 0.00 0.00 55.36 52.32 2f8v s GLN 82 Cb -0.10 -3.79 0.37 0.00 0.80 0.00 0.00 33.01 30.30 2f8v s GLN 82 CO 0.19 -0.73 0.91 -0.51 -0.50 0.00 0.00 175.29 174.66 2f8v s LEU 83 N 1.57 -1.29 -0.30 3.68 2.01 -0.91 -2.54 118.68 120.90 2f8v s LEU 83 Ca 0.02 0.90 -0.04 0.00 0.01 0.00 0.00 54.13 55.03 2f8v s LEU 83 Cb -0.19 -2.31 0.01 0.00 0.01 0.00 0.00 46.19 43.71 2f8v s LEU 83 CO 0.07 -5.51 0.25 -2.65 1.01 0.00 0.00 176.35 169.52 2f8v n PRO 84 N -5.74 -0.66 -2.25 1.29 -0.02 -1.26 -4.90 135.00 121.46 2f8v n PRO 84 Ca 0.12 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2f8v n PRO 84 Cb 0.60 -0.88 -0.03 0.00 -0.02 0.00 0.00 33.50 33.18 2f8v n PRO 84 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2f8v s TYR 85 N -2.01 2.59 0.00 6.00 5.04 -1.05 -5.02 117.35 122.90 2f8v s TYR 85 Ca 0.03 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 2f8v s TYR 85 Cb -0.00 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.64 2f8v s TYR 85 CO 0.36 -2.54 0.00 0.00 -1.34 0.00 0.00 175.55 172.03 2f8v n GLN 86 N 6.42 3.07 -3.60 4.97 10.64 -1.26 -5.12 117.38 132.50 2f8v n GLN 86 Ca 0.15 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.16 2f8v n GLN 86 Cb 0.44 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.75 2f8v n GLN 86 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2f8v s ARG 87 N 4.92 0.89 0.00 2.61 1.81 -1.26 -5.14 118.95 122.77 2f8v s ARG 87 Ca 0.00 0.65 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 2f8v s ARG 87 Cb 0.00 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.93 2f8v s ARG 87 CO 0.00 -0.19 0.41 0.28 -0.68 0.00 0.00 175.30 175.12