#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi s SER 2 N 0.00 3.30 1.00 9.51 0.15 -1.26 -5.13 113.70 121.27 1vfi s SER 2 Ca 0.00 -1.07 -0.13 0.00 0.70 0.00 0.00 55.95 55.45 1vfi s SER 2 Cb 0.00 -0.70 0.19 0.00 -1.71 0.00 0.00 66.02 63.79 1vfi s SER 2 CO 0.00 -0.33 1.11 -1.61 1.20 0.00 0.00 173.24 173.61 1vfi s GLU 3 N 1.77 0.39 -0.30 5.44 2.02 -1.26 -5.07 118.70 121.69 1vfi s GLU 3 Ca 0.02 0.35 -0.11 0.00 0.02 0.00 0.00 54.97 55.25 1vfi s GLU 3 Cb -0.17 -1.75 0.18 0.00 0.10 0.00 0.00 34.13 32.49 1vfi s GLU 3 CO -0.13 -2.72 1.00 -0.59 0.02 0.00 0.00 175.26 172.84 1vfi s PHE 4 N -3.08 -0.64 -0.27 1.61 -0.71 -1.26 -5.17 117.98 108.46 1vfi s PHE 4 Ca 0.66 0.57 -0.31 0.00 -1.04 0.00 0.00 56.93 56.81 1vfi s PHE 4 Cb -0.16 0.18 0.18 0.00 -1.21 0.00 0.00 43.02 42.01 1vfi s PHE 4 CO 0.56 -0.36 1.32 0.00 -1.34 0.00 0.00 175.22 175.40 1vfi s ALA 5 N 2.94 -2.11 0.86 1.99 0.00 -1.26 -5.17 121.76 119.01 1vfi s ALA 5 Ca 0.09 1.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 1vfi s ALA 5 Cb -0.08 -1.25 0.11 0.00 0.00 0.00 0.00 23.12 21.90 1vfi s ALA 5 CO -0.16 -0.30 1.12 -1.25 0.00 0.00 0.00 175.76 175.17 1vfi s PRO 6 N -1.22 1.54 0.25 0.00 0.04 -1.26 -5.04 135.00 129.32 1vfi s PRO 6 Ca 0.08 0.44 0.06 0.00 0.04 0.00 0.00 61.00 61.63 1vfi s PRO 6 Cb -0.01 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1vfi s PRO 6 CO -0.06 -1.95 0.23 0.08 0.04 0.00 0.00 177.00 175.34 1vfi s VAL 7 N -3.23 4.65 -0.21 -0.36 1.01 -1.23 -4.99 120.40 116.05 1vfi s VAL 7 Ca 0.62 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1vfi s VAL 7 Cb -0.15 -3.51 0.26 0.00 0.00 0.00 0.00 36.38 32.98 1vfi s VAL 7 CO 0.54 -0.34 1.34 -0.67 0.00 0.00 0.00 175.10 175.97 1vfi n ASP 8 N -1.21 -1.28 -4.24 3.32 -0.08 -1.26 -3.84 116.55 107.97 1vfi n ASP 8 Ca -0.08 -2.14 -0.36 0.00 -1.51 0.00 0.00 54.79 50.70 1vfi n ASP 8 Cb 0.58 0.54 -0.03 0.00 2.34 0.00 0.00 41.12 44.54 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vfi h LYS 10 N -1.47 0.00 -0.05 0.00 2.10 -1.93 -2.99 116.57 112.23 1vfi h LYS 10 Ca -0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.05 1vfi h LYS 10 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1vfi h LYS 10 CO 0.78 0.97 0.00 0.41 -2.00 0.00 0.00 179.45 179.62 1vfi n GLY 11 N 1.58 0.45 0.59 0.07 0.00 -1.26 -3.70 105.19 102.92 1vfi n GLY 11 Ca -0.14 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.41 1vfi n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vfi n GLN 12 N 0.65 1.21 -3.13 1.61 3.00 -1.25 -4.61 117.38 114.86 1vfi n GLN 12 Ca 0.17 -1.45 -0.30 0.00 -0.01 0.00 0.00 57.00 55.41 1vfi n GLN 12 Cb 0.45 -1.28 -0.05 0.00 0.00 0.00 0.00 30.24 29.36 1vfi n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vfi n THR 14 N 0.40 0.31 -0.02 0.00 -1.04 -1.26 -4.28 114.28 108.39 1vfi n THR 14 Ca 0.32 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.05 62.08 1vfi n THR 14 Cb 0.38 -1.33 -0.11 0.00 -1.82 0.00 0.00 70.33 67.45 1vfi n THR 14 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1vfi h THR 15 N -0.15 1.50 0.00 12.58 2.02 -1.95 1.04 112.91 127.96 1vfi h THR 15 Ca -0.14 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1vfi h THR 15 Cb 1.14 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 1vfi h THR 15 CO -0.07 0.53 0.00 -0.81 0.37 0.00 0.00 175.52 175.55 1vfi n PRO 16 N -4.45 0.13 -0.11 6.66 -0.04 -1.26 -2.32 135.00 133.60 1vfi n PRO 16 Ca -0.10 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1vfi n PRO 16 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.52 1vfi n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vfi h GLU 18 N 0.00 -0.40 -0.01 0.00 4.81 0.16 0.51 114.58 119.64 1vfi h GLU 18 Ca 0.00 0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 1vfi h GLU 18 Cb 0.90 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1vfi h GLU 18 CO 0.00 -0.09 -0.79 -1.00 -0.73 0.00 0.00 179.01 176.40 1vfi h PRO 19 N -0.74 0.16 0.78 0.92 0.13 -1.82 -2.64 132.00 128.78 1vfi h PRO 19 Ca -0.04 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1vfi h PRO 19 Cb 0.50 0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.67 1vfi h PRO 19 CO 0.07 0.87 -0.38 1.25 -0.23 0.00 0.00 178.00 179.58 1vfi h LEU 20 N 0.10 -0.89 -0.38 1.56 7.12 -1.83 -1.83 115.31 119.15 1vfi h LEU 20 Ca -0.03 0.02 0.08 0.00 0.13 0.00 0.00 57.88 58.09 1vfi h LEU 20 Cb 1.38 0.23 -0.08 0.00 -0.53 0.00 0.00 40.66 41.66 1vfi h LEU 20 CO 0.12 -0.53 -0.17 0.74 -0.13 0.00 0.00 178.44 178.47 1vfi h THR 21 N -1.25 0.48 -1.01 1.05 2.02 -0.98 0.28 112.91 113.51 1vfi h THR 21 Ca -0.11 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.31 1vfi h THR 21 Cb 0.81 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.60 1vfi h THR 21 CO 0.18 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.70 1vfi h ALA 22 N 1.20 1.97 0.17 6.16 0.00 -1.45 1.40 119.26 128.72 1vfi h ALA 22 Ca 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1vfi h ALA 22 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vfi h ALA 22 CO -0.44 -0.37 -0.08 0.00 0.00 0.00 0.00 179.25 178.36 1vfi h LYS 24 N -0.56 0.42 0.19 0.00 1.57 0.13 -1.67 116.57 116.65 1vfi h LYS 24 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1vfi h LYS 24 Cb 0.42 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1vfi h LYS 24 CO 0.04 0.28 -0.15 0.93 -0.57 0.00 0.00 179.45 179.98 1vfi h GLU 25 N 0.44 -0.32 -1.10 3.15 4.39 0.18 0.57 114.58 121.89 1vfi h GLU 25 Ca 0.19 0.02 0.43 0.00 0.34 0.00 0.00 59.36 60.34 1vfi h GLU 25 Cb 0.10 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 28.66 1vfi h GLU 25 CO -0.14 -0.21 0.64 1.17 -1.16 0.00 0.00 179.01 179.30 1vfi n LYS 26 N -3.22 -0.05 0.28 2.33 0.00 0.21 0.82 118.16 118.52 1vfi n LYS 26 Ca -0.04 1.31 -0.12 0.00 0.00 0.00 0.00 58.31 59.46 1vfi n LYS 26 Cb 0.15 -2.42 -0.06 0.00 0.00 0.00 0.00 35.03 32.70 1vfi n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vfi h ALA 28 N -1.19 0.92 0.19 0.00 0.00 0.59 1.26 119.26 121.02 1vfi h ALA 28 Ca -0.08 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1vfi h ALA 28 Cb 0.59 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1vfi h ALA 28 CO 0.13 -0.48 -0.23 0.93 0.00 0.00 0.00 179.25 179.60 1vfi h GLU 29 N 0.03 -0.45 0.00 0.00 4.39 -0.42 0.05 114.58 118.18 1vfi h GLU 29 Ca 0.51 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.24 1vfi h GLU 29 Cb 0.95 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1vfi h GLU 29 CO -0.88 -0.30 0.00 1.03 -1.16 0.00 0.00 179.01 177.70 1vfi h SER 30 N -0.47 0.00 -2.24 1.42 0.87 0.72 -2.79 113.55 111.07 1vfi h SER 30 Ca 0.01 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.96 1vfi h SER 30 Cb 0.46 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.01 1vfi h SER 30 CO -0.08 0.00 -0.52 0.00 -0.53 0.00 0.00 176.83 175.70 1vfi n GLU 32 N -0.25 0.50 0.00 0.00 1.02 -0.57 -4.39 120.64 116.95 1vfi n GLU 32 Ca 0.33 0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.94 1vfi n GLU 32 Cb 0.40 -1.54 0.62 0.00 -0.02 0.00 0.00 31.44 30.90 1vfi n GLU 32 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1vfi n THR 33 N -4.52 0.17 -1.84 2.62 5.66 -1.26 -4.77 114.28 110.34 1vfi n THR 33 Ca -0.12 0.04 -0.43 0.00 -3.05 0.00 0.00 64.05 60.50 1vfi n THR 33 Cb 0.42 -0.60 -0.03 0.00 -1.55 0.00 0.00 70.33 68.57 1vfi n THR 33 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vfi s SER 34 N -2.74 6.13 0.03 1.09 0.01 -1.26 -4.89 113.70 112.07 1vfi s SER 34 Ca 0.20 2.01 -0.07 0.00 1.31 0.00 0.00 55.95 59.40 1vfi s SER 34 Cb 0.18 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1vfi s SER 34 CO 0.43 -1.40 1.11 0.00 0.41 0.00 0.00 173.24 173.79 1vfi h ALA 35 N 11.95 -0.20 -1.08 1.44 0.00 -1.94 -2.85 119.26 126.59 1vfi h ALA 35 Ca -0.40 0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 1vfi h ALA 35 Cb 1.20 0.99 -0.10 0.00 0.00 0.00 0.00 17.79 19.89 1vfi h ALA 35 CO 0.97 -0.28 1.84 -0.51 0.00 0.00 0.00 179.25 181.28 1vfi s ASP 36 N -3.42 6.76 -0.01 0.00 1.01 -1.26 -4.77 116.67 114.98 1vfi s ASP 36 Ca -0.03 -2.20 -0.25 0.00 0.71 0.00 0.00 52.55 50.79 1vfi s ASP 36 Cb 0.02 -2.55 -0.18 0.00 1.01 0.00 0.00 42.92 41.22 1vfi s ASP 36 CO 0.13 -1.22 1.23 0.11 0.21 0.00 0.00 175.17 175.63 1vfi h LYS 37 N 8.23 -0.18 -0.71 8.23 1.57 -1.81 0.43 116.57 132.33 1vfi h LYS 37 Ca 0.35 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.28 1vfi h LYS 37 Cb 0.92 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.14 1vfi h LYS 37 CO 1.41 0.20 -0.25 -0.22 -0.57 0.00 0.00 179.45 180.02 1vfi h LYS 38 N -0.61 -0.05 0.49 3.15 3.64 -1.90 1.02 116.57 122.30 1vfi h LYS 38 Ca -0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1vfi h LYS 38 Cb 0.47 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1vfi h LYS 38 CO 0.03 -0.04 -0.24 1.15 -2.27 0.00 0.00 179.45 178.09 1vfi h THR 39 N -0.06 0.25 -0.87 1.00 2.02 -1.94 0.13 112.91 113.43 1vfi h THR 39 Ca 0.32 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 67.11 1vfi h THR 39 Cb 0.55 0.37 -0.14 0.00 -1.74 0.00 0.00 68.15 67.19 1vfi h THR 39 CO -0.76 0.05 -0.41 0.00 0.37 0.00 0.00 175.52 174.77 1vfi h ARG 41 N -0.06 -0.54 -0.71 0.00 3.08 0.10 -1.93 114.38 114.32 1vfi h ARG 41 Ca 0.28 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.45 1vfi h ARG 41 Cb 0.56 0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.63 1vfi h ARG 41 CO -0.89 -0.36 -0.53 -0.09 -1.07 0.00 0.00 179.97 177.02 1vfi h ARG 42 N -0.56 -0.18 -0.80 0.04 9.65 0.21 1.66 114.38 124.41 1vfi h ARG 42 Ca -0.04 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.04 1vfi h ARG 42 Cb 0.46 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.03 1vfi h ARG 42 CO 0.05 -0.12 0.55 -0.97 2.80 0.00 0.00 179.97 182.28 1vfi h ASN 43 N -0.19 0.23 0.89 -3.80 -0.73 -0.26 1.22 115.58 112.94 1vfi h ASN 43 Ca 0.15 0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.18 1vfi h ASN 43 Cb 0.52 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1vfi h ASN 43 CO -0.77 0.10 -0.73 0.00 -0.37 0.00 0.00 177.43 175.66 1vfi h LYS 45 N 0.00 0.00 0.00 0.00 3.11 1.09 -1.62 116.57 119.15 1vfi h LYS 45 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1vfi h LYS 45 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 1vfi h LYS 45 CO 0.09 0.34 -0.77 1.63 -2.81 0.00 0.00 179.45 177.93 1vfi n LYS 46 N -4.10 0.25 0.42 1.90 4.76 -0.39 -2.15 118.16 118.84 1vfi n LYS 46 Ca -0.02 0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.27 1vfi n LYS 46 Cb 0.38 -1.62 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 1vfi n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vfi h ALA 47 N 2.60 -1.27 -0.05 7.82 0.00 -0.27 -3.41 119.26 124.68 1vfi h ALA 47 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1vfi h ALA 47 Cb 0.70 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 1vfi h ALA 47 CO 0.00 -1.22 -0.40 -3.47 0.00 0.00 0.00 179.25 174.16 1vfi n ASP 48 N -5.43 -1.82 -1.46 0.00 2.03 -1.21 -4.92 116.55 103.74 1vfi n ASP 48 Ca -0.14 -2.63 -0.02 0.00 0.52 0.00 0.00 54.79 52.52 1vfi n ASP 48 Cb 0.48 1.07 -0.01 0.00 -0.72 0.00 0.00 41.12 41.94 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi h GLU 50 N 0.66 0.06 0.00 0.00 4.39 -1.78 -1.73 114.58 116.18 1vfi h GLU 50 Ca -0.40 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 1vfi h GLU 50 Cb 1.59 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1vfi h GLU 50 CO -0.09 0.96 -0.33 -1.00 -1.16 0.00 0.00 179.01 177.39 1vfi h PRO 51 N -0.79 0.00 0.10 2.33 0.13 -1.91 -2.84 132.00 129.01 1vfi h PRO 51 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1vfi h PRO 51 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1vfi h PRO 51 CO 0.03 0.33 -0.05 1.96 -0.23 0.00 0.00 178.00 180.03 1vfi h GLN 52 N 0.00 -0.13 -0.69 0.86 4.20 -1.91 -1.97 115.11 115.47 1vfi h GLN 52 Ca -0.00 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.92 1vfi h GLN 52 Cb 1.00 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1vfi h GLN 52 CO 0.04 0.26 0.50 0.22 -0.67 0.00 0.00 178.83 179.18 1vfi h ASP 53 N -0.96 0.00 0.24 1.46 3.58 -1.38 -1.00 116.42 118.35 1vfi h ASP 53 Ca -0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1vfi h ASP 53 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1vfi h ASP 53 CO 0.02 0.00 -0.12 0.11 -2.88 0.00 0.00 179.24 176.38 1vfi h LYS 54 N 0.00 -0.31 -1.57 0.28 1.57 -1.52 -2.99 116.57 112.02 1vfi h LYS 54 Ca 0.33 0.02 0.50 0.00 -1.87 0.00 0.00 60.65 59.63 1vfi h LYS 54 Cb 1.32 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 33.59 1vfi h LYS 54 CO -0.00 -0.21 1.07 0.28 -0.57 0.00 0.00 179.45 180.02 1vfi h VAL 55 N -0.65 0.05 0.49 0.50 2.07 -0.63 1.47 116.25 119.56 1vfi h VAL 55 Ca -0.03 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1vfi h VAL 55 Cb 0.25 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1vfi h VAL 55 CO 0.05 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 1vfi h ASP 57 N -0.67 0.42 -0.57 0.00 3.58 0.22 0.19 116.42 119.59 1vfi h ASP 57 Ca -0.07 0.11 0.11 0.00 0.42 0.00 0.00 57.03 57.61 1vfi h ASP 57 Cb 0.52 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 41.54 1vfi h ASP 57 CO 0.10 0.13 0.06 0.00 -2.88 0.00 0.00 179.24 176.65 1vfi h ALA 58 N 1.60 0.60 0.19 -0.78 0.00 -0.70 1.45 119.26 121.62 1vfi h ALA 58 Ca 0.48 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1vfi h ALA 58 Cb 0.77 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1vfi h ALA 58 CO -0.42 -0.35 -0.37 0.00 0.00 0.00 0.00 179.25 178.10 1vfi h ARG 60 N -0.65 0.60 -0.04 0.00 3.08 -0.59 0.17 114.38 116.95 1vfi h ARG 60 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1vfi h ARG 60 Cb 0.65 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1vfi h ARG 60 CO -0.18 0.40 0.01 1.98 -1.07 0.00 0.00 179.97 181.11 1vfi h MET 61 N 0.62 0.06 -0.57 0.04 4.05 0.35 -0.44 114.93 119.04 1vfi h MET 61 Ca 0.20 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 1vfi h MET 61 Cb 0.03 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1vfi h MET 61 CO -0.05 0.26 0.12 0.87 0.23 0.00 0.00 176.91 178.34 1vfi h LYS 62 N -0.15 0.92 0.00 0.39 6.56 0.73 -1.29 116.57 123.73 1vfi h LYS 62 Ca 0.01 -0.23 -0.00 0.00 -1.06 0.00 0.00 60.65 59.37 1vfi h LYS 62 Cb 0.23 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1vfi h LYS 62 CO -0.00 0.86 -0.01 0.00 -2.06 0.00 0.00 179.45 178.24 1vfi h HIS 64 N 0.00 0.73 0.08 0.00 6.17 0.14 1.49 115.15 123.77 1vfi h HIS 64 Ca -0.00 -0.05 -0.30 0.00 0.71 0.00 0.00 60.37 60.73 1vfi h HIS 64 Cb 0.02 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.71 1vfi h HIS 64 CO 0.00 0.61 -1.55 0.87 0.71 0.00 0.00 177.93 178.56 1vfi h LYS 65 N 0.64 0.17 0.00 5.26 1.57 -0.97 -2.79 116.57 120.46 1vfi h LYS 65 Ca 0.16 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1vfi h LYS 65 Cb 0.18 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1vfi h LYS 65 CO -0.01 0.99 -0.39 0.00 -0.57 0.00 0.00 179.45 179.46 1vfi h ALA 66 N 0.61 1.14 0.00 3.86 0.00 0.20 -1.62 119.26 123.44 1vfi h ALA 66 Ca -0.24 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1vfi h ALA 66 Cb 1.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1vfi h ALA 66 CO 0.14 0.49 -0.41 0.00 0.00 0.00 0.00 179.25 179.46 1vfi h ARG 68 N 0.00 0.27 0.00 0.00 1.12 -1.02 -2.59 114.38 112.16 1vfi h ARG 68 Ca 0.00 -0.34 -0.08 0.00 -1.11 0.00 0.00 59.98 58.44 1vfi h ARG 68 Cb 0.82 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1vfi h ARG 68 CO 0.00 1.08 -1.10 0.00 -3.11 0.00 0.00 179.97 176.84 1vfi h ALA 69 N 0.79 0.61 -3.00 2.80 0.00 -1.47 -3.23 119.26 115.75 1vfi h ALA 69 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1vfi h ALA 69 Cb 1.69 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1vfi h ALA 69 CO 0.16 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1vfi n ALA 70 N -2.28 0.00 -0.14 0.00 0.00 -0.84 -4.64 120.51 112.61 1vfi n ALA 70 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1vfi n ALA 70 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1vfi n ALA 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vfi n ASN 71 N -0.11 0.00 -4.79 0.00 3.02 -0.98 -4.63 115.26 107.77 1vfi n ASN 71 Ca 0.00 0.93 -0.32 0.00 -0.03 0.00 0.00 54.58 55.16 1vfi n ASN 71 Cb 0.00 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 38.79 1vfi n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vfi n ALA 73 N -2.84 0.00 0.04 0.00 0.00 -1.24 -3.62 120.51 112.85 1vfi n ALA 73 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1vfi n ALA 73 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1vfi n ALA 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vfi h SER 74 N 0.00 0.71 -0.05 0.00 0.87 -1.92 -3.16 113.55 110.00 1vfi h SER 74 Ca 0.00 -0.55 -0.07 0.00 -1.23 0.00 0.00 61.79 59.94 1vfi h SER 74 Cb 0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1vfi h SER 74 CO 0.00 1.34 -0.18 -0.33 -0.53 0.00 0.00 176.83 177.13 1vfi h GLU 75 N 0.34 0.42 -4.50 2.24 3.07 -1.92 -3.37 114.58 110.85 1vfi h GLU 75 Ca -0.09 -0.13 -0.70 0.00 -0.50 0.00 0.00 59.36 57.94 1vfi h GLU 75 Cb 1.57 -0.04 -0.32 0.00 -0.84 0.00 0.00 28.75 29.12 1vfi h GLU 75 CO 0.17 0.58 -0.54 0.00 -1.40 0.00 0.00 179.01 177.83 1vfi n PRO 77 N 4.71 -1.02 -2.47 0.00 -0.04 -1.26 -4.59 135.00 130.33 1vfi n PRO 77 Ca -0.06 -0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 62.41 1vfi n PRO 77 Cb 0.42 -0.46 0.01 0.00 -0.04 0.00 0.00 33.50 33.43 1vfi n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1vfi n LYS 78 N -2.19 5.16 0.00 0.54 0.00 -1.26 -4.24 118.16 116.17 1vfi n LYS 78 Ca 0.05 -4.32 0.00 0.00 0.00 0.00 0.00 58.31 54.04 1vfi n LYS 78 Cb 0.18 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 32.69 1vfi n LYS 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1vfi n HIS 79 N 0.54 0.00 -3.60 5.64 -0.00 -1.26 -5.16 115.22 111.38 1vfi n HIS 79 Ca 0.50 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.62 1vfi n HIS 79 Cb 0.26 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.09 1vfi n HIS 79 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1vfi s GLU 80 N 0.00 0.38 -0.15 1.57 0.41 -1.26 -5.08 118.70 114.58 1vfi s GLU 80 Ca 0.00 0.04 -0.13 0.00 -0.41 0.00 0.00 54.97 54.48 1vfi s GLU 80 Cb 0.00 0.18 -0.06 0.00 -1.78 0.00 0.00 34.13 32.47 1vfi s GLU 80 CO 0.00 -0.13 -0.27 -2.39 -0.49 0.00 0.00 175.26 171.98 1vfi n HIS 81 N 0.49 0.00 -3.25 1.61 1.44 -1.26 -4.83 115.22 109.42 1vfi n HIS 81 Ca -0.05 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.41 1vfi n HIS 81 Cb 0.58 -0.51 -0.07 0.00 0.12 0.00 0.00 29.99 30.12 1vfi n HIS 81 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1vfi n LYS 82 N -4.13 1.80 -1.86 -1.40 3.00 -1.26 -5.01 118.16 109.29 1vfi n LYS 82 Ca -0.21 -4.04 -0.35 0.00 -0.00 0.00 0.00 58.31 53.71 1vfi n LYS 82 Cb 0.53 -1.82 0.05 0.00 0.00 0.00 0.00 35.03 33.79 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1vfi s SER 83 N -2.14 4.97 0.04 3.14 0.15 -1.26 -4.79 113.70 113.82 1vfi s SER 83 Ca 0.39 2.33 -0.23 0.00 0.70 0.00 0.00 55.95 59.15 1vfi s SER 83 Cb 0.20 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.80 1vfi s SER 83 CO -0.07 -1.74 1.35 -0.78 1.20 0.00 0.00 173.24 173.20 1vfi h ASP 84 N 0.54 -0.79 -1.00 5.45 1.82 -1.99 0.40 116.42 120.85 1vfi h ASP 84 Ca -0.49 0.05 0.17 0.00 -0.39 0.00 0.00 57.03 56.36 1vfi h ASP 84 Cb 1.29 0.24 -0.10 0.00 0.68 0.00 0.00 39.33 41.44 1vfi h ASP 84 CO 0.54 -0.46 0.62 0.00 -1.61 0.00 0.00 179.24 178.33 1vfi h THR 85 N -0.73 0.77 0.68 2.25 1.03 -1.93 -0.18 112.91 114.80 1vfi h THR 85 Ca -0.06 -0.28 -0.03 0.00 -0.01 0.00 0.00 66.41 66.03 1vfi h THR 85 Cb 0.59 -0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.55 1vfi h THR 85 CO 0.05 0.15 -0.38 0.00 -0.01 0.00 0.00 175.52 175.32 1vfi h ARG 87 N -0.98 0.29 -0.59 0.00 3.08 0.65 1.03 114.38 117.86 1vfi h ARG 87 Ca -0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1vfi h ARG 87 Cb 0.77 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1vfi h ARG 87 CO 0.11 0.19 0.35 0.00 -1.07 0.00 0.00 179.97 179.56 1vfi h ALA 88 N 1.80 0.75 0.58 0.04 0.00 -0.56 1.00 119.26 122.88 1vfi h ALA 88 Ca 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1vfi h ALA 88 Cb 1.33 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1vfi h ALA 88 CO -0.61 0.24 -0.28 0.00 0.00 0.00 0.00 179.25 178.60 1vfi h MET 90 N -1.14 0.00 -0.20 0.00 2.07 0.69 1.52 114.93 117.87 1vfi h MET 90 Ca -0.08 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.38 1vfi h MET 90 Cb 0.64 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.37 1vfi h MET 90 CO 0.13 0.00 -0.58 -0.22 1.07 0.00 0.00 176.91 177.31 1vfi h LYS 91 N 0.00 0.65 0.00 1.72 3.64 0.14 0.68 116.57 123.39 1vfi h LYS 91 Ca 0.00 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1vfi h LYS 91 Cb 0.19 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1vfi h LYS 91 CO 0.00 1.04 -0.96 2.41 -2.27 0.00 0.00 179.45 179.67 1vfi n THR 92 N -3.96 1.44 -0.34 1.00 -1.04 0.45 -4.49 114.28 107.34 1vfi n THR 92 Ca -0.04 0.14 0.18 0.00 -2.04 0.00 0.00 64.05 62.29 1vfi n THR 92 Cb 0.63 -2.19 0.39 0.00 -1.82 0.00 0.00 70.33 67.34 1vfi n THR 92 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1vfi h ASN 93 N -0.84 0.66 0.00 8.00 2.35 0.18 -3.42 115.58 122.52 1vfi h ASN 93 Ca -0.05 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1vfi h ASN 93 Cb 0.89 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1vfi h ASN 93 CO -0.03 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 175.84