#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 -0.31 -0.07 9.51 0.15 -1.26 -5.10 113.70 116.63 1vfi s SER 2 Ca 0.00 -0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 1vfi s SER 2 Cb 0.00 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1vfi s SER 2 CO 0.00 -0.65 -0.21 -0.62 1.20 0.00 0.00 173.24 172.97 1vfi n GLU 3 N -0.28 0.31 -4.16 5.44 4.71 -1.26 -4.99 120.64 120.41 1vfi n GLU 3 Ca -0.08 0.12 -0.35 0.00 -0.01 0.00 0.00 57.16 56.85 1vfi n GLU 3 Cb 0.61 -1.04 -0.13 0.00 -1.01 0.00 0.00 31.44 29.87 1vfi n GLU 3 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1vfi s PHE 4 N -2.51 2.99 0.13 -0.32 0.08 -1.26 -5.08 117.98 112.01 1vfi s PHE 4 Ca -0.17 -0.58 -0.25 0.00 0.12 0.00 0.00 56.93 56.04 1vfi s PHE 4 Cb 0.02 -2.04 0.07 0.00 -0.57 0.00 0.00 43.02 40.50 1vfi s PHE 4 CO 0.25 -0.29 0.91 0.00 -0.10 0.00 0.00 175.22 175.99 1vfi s ALA 5 N 0.96 -1.65 1.00 5.36 0.00 -1.26 -5.16 121.76 121.01 1vfi s ALA 5 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1vfi s ALA 5 Cb -0.15 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1vfi s ALA 5 CO 0.01 -0.96 0.00 -0.35 0.00 0.00 0.00 175.76 174.46 1vfi n PRO 6 N -0.42 0.55 -0.04 0.00 -0.04 -1.25 -4.85 135.00 128.94 1vfi n PRO 6 Ca -0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1vfi n PRO 6 Cb 0.61 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.96 1vfi n PRO 6 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1vfi n VAL 7 N -0.85 0.56 -3.33 0.52 3.14 -1.14 -5.03 118.33 112.20 1vfi n VAL 7 Ca 0.00 -0.48 -0.18 0.00 -2.96 0.00 0.00 64.34 60.72 1vfi n VAL 7 Cb 0.00 -0.32 0.02 0.00 -1.06 0.00 0.00 33.84 32.47 1vfi n VAL 7 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1vfi n ASP 8 N -2.31 -6.08 0.00 6.55 8.00 -1.26 -4.82 116.55 116.63 1vfi n ASP 8 Ca -0.14 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1vfi n ASP 8 Cb 0.72 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi n LYS 10 N -2.18 0.00 -0.24 0.00 4.81 -1.26 0.64 118.16 119.93 1vfi n LYS 10 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1vfi n LYS 10 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vfi n LYS 10 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1vfi h GLY 11 N 0.00 -0.22 -0.80 3.14 0.00 -1.95 1.07 103.07 104.31 1vfi h GLY 11 Ca 0.00 0.51 0.32 0.00 0.00 0.00 0.00 47.33 48.16 1vfi h GLY 11 CO 0.00 -0.18 1.09 1.46 0.00 0.00 0.00 176.54 178.90 1vfi h GLN 12 N -0.15 0.00 -2.13 4.80 7.50 -0.06 0.60 115.11 125.67 1vfi h GLN 12 Ca 0.23 0.00 -0.75 0.00 0.50 0.00 0.00 58.65 58.64 1vfi h GLN 12 Cb 0.56 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 27.78 1vfi h GLN 12 CO -0.75 0.00 0.64 0.00 -1.50 0.00 0.00 178.83 177.23 1vfi n THR 14 N -0.25 0.63 -0.05 0.00 -1.04 0.21 -4.10 114.28 109.68 1vfi n THR 14 Ca 0.46 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 62.14 1vfi n THR 14 Cb 0.30 -1.20 -0.07 0.00 -1.82 0.00 0.00 70.33 67.55 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 -0.17 1.30 0.00 12.58 2.02 -1.79 1.43 112.91 128.29 1vfi h THR 15 Ca -0.26 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1vfi h THR 15 Cb 1.33 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1vfi h THR 15 CO -0.09 0.30 0.00 -0.81 0.37 0.00 0.00 175.52 175.29 1vfi n PRO 16 N -4.70 0.03 -0.10 6.66 -0.04 -1.26 -2.29 135.00 133.29 1vfi n PRO 16 Ca -0.06 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1vfi n PRO 16 Cb 0.27 -1.54 0.09 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.09 -0.04 0.00 4.81 0.24 -2.22 114.58 117.27 1vfi h GLU 18 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1vfi h GLU 18 Cb 0.94 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.35 1vfi h GLU 18 CO 0.00 0.44 -0.91 -1.00 -0.73 0.00 0.00 179.01 176.81 1vfi h PRO 19 N -0.72 0.60 0.61 0.92 0.13 -1.83 -2.80 132.00 128.91 1vfi h PRO 19 Ca -0.01 -0.58 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1vfi h PRO 19 Cb 0.58 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1vfi h PRO 19 CO 0.02 1.20 -0.46 1.25 -0.23 0.00 0.00 178.00 179.78 1vfi h LEU 20 N 0.36 -1.20 -0.38 1.56 5.85 -1.77 0.36 115.31 120.10 1vfi h LEU 20 Ca -0.08 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1vfi h LEU 20 Cb 1.55 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 1vfi h LEU 20 CO 0.17 -0.66 -0.18 0.74 -0.34 0.00 0.00 178.44 178.17 1vfi h THR 21 N -1.03 0.45 -0.78 1.05 2.02 -1.49 0.43 112.91 113.56 1vfi h THR 21 Ca -0.07 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.29 1vfi h THR 21 Cb 0.86 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1vfi h THR 21 CO 0.02 0.00 0.53 0.00 0.37 0.00 0.00 175.52 176.44 1vfi h ALA 22 N 1.15 2.33 0.78 6.16 0.00 -1.21 0.27 119.26 128.74 1vfi h ALA 22 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1vfi h ALA 22 Cb 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vfi h ALA 22 CO -0.45 -0.55 -0.37 0.00 0.00 0.00 0.00 179.25 177.87 1vfi h LYS 24 N -1.26 0.16 0.09 0.00 1.57 0.03 0.13 116.57 117.28 1vfi h LYS 24 Ca -0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1vfi h LYS 24 Cb 0.80 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1vfi h LYS 24 CO 0.17 0.10 -0.07 0.93 -0.57 0.00 0.00 179.45 180.02 1vfi h GLU 25 N 0.16 -0.15 -1.00 3.15 4.39 -0.43 1.03 114.58 121.73 1vfi h GLU 25 Ca 0.30 0.01 0.31 0.00 0.34 0.00 0.00 59.36 60.32 1vfi h GLU 25 Cb 0.47 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 28.97 1vfi h GLU 25 CO -0.46 -0.10 0.15 1.17 -1.16 0.00 0.00 179.01 178.61 1vfi n LYS 26 N -2.62 -0.07 0.02 2.33 4.81 0.10 0.19 118.16 122.92 1vfi n LYS 26 Ca -0.02 1.47 -0.12 0.00 -0.87 0.00 0.00 58.31 58.76 1vfi n LYS 26 Cb 0.07 -2.40 -0.08 0.00 0.02 0.00 0.00 35.03 32.63 1vfi n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vfi h ALA 28 N 0.78 -0.34 0.41 0.00 0.00 1.05 1.47 119.26 122.63 1vfi h ALA 28 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vfi h ALA 28 Cb 0.22 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1vfi h ALA 28 CO 0.00 -0.83 -0.51 0.93 0.00 0.00 0.00 179.25 178.84 1vfi h GLU 29 N -0.23 -0.90 0.00 0.00 4.39 -0.74 0.12 114.58 117.21 1vfi h GLU 29 Ca 0.18 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1vfi h GLU 29 Cb 0.56 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1vfi h GLU 29 CO -0.69 -0.60 0.17 1.03 -1.16 0.00 0.00 179.01 177.76 1vfi h SER 30 N -0.94 0.00 -2.01 1.42 0.87 -0.17 -0.79 113.55 111.93 1vfi h SER 30 Ca -0.05 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.86 1vfi h SER 30 Cb 0.84 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.42 1vfi h SER 30 CO -0.11 0.00 -0.13 0.00 -0.53 0.00 0.00 176.83 176.05 1vfi s GLU 32 N -3.73 4.24 -0.79 0.00 2.02 -0.31 -3.97 118.70 116.16 1vfi s GLU 32 Ca 0.47 0.69 -0.03 0.00 0.02 0.00 0.00 54.97 56.12 1vfi s GLU 32 Cb 0.32 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1vfi s GLU 32 CO -0.19 -0.23 0.11 0.25 0.02 0.00 0.00 175.26 175.22 1vfi n THR 33 N 4.65 -0.45 -1.09 3.63 -2.24 -1.26 -4.76 114.28 112.76 1vfi n THR 33 Ca -0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1vfi n THR 33 Cb 0.50 -1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 1vfi n THR 33 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1vfi n SER 34 N -1.82 6.46 0.00 3.42 2.88 -1.25 -4.82 113.62 118.49 1vfi n SER 34 Ca -0.06 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 1vfi n SER 34 Cb 0.56 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1vfi n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi n ALA 35 N 2.98 0.00 -3.52 -1.46 0.00 -1.26 -3.74 120.51 113.51 1vfi n ALA 35 Ca 0.56 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.69 1vfi n ALA 35 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 1vfi n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vfi n ASP 36 N 1.82 3.99 -0.38 0.00 8.00 -1.26 -4.93 116.55 123.78 1vfi n ASP 36 Ca 0.00 -3.34 -0.05 0.00 0.71 0.00 0.00 54.79 52.11 1vfi n ASP 36 Cb 0.00 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.27 1vfi n ASP 36 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1vfi h LYS 37 N 4.88 -0.02 -0.13 -1.24 1.57 -1.82 0.23 116.57 120.04 1vfi h LYS 37 Ca 0.18 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1vfi h LYS 37 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1vfi h LYS 37 CO 0.87 -0.01 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.43 1vfi h LYS 38 N -0.02 -0.02 -0.69 3.15 1.63 -1.91 0.81 116.57 119.52 1vfi h LYS 38 Ca 0.27 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 60.21 1vfi h LYS 38 Cb 0.53 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.04 1vfi h LYS 38 CO -0.95 -0.01 -0.14 1.15 -3.45 0.00 0.00 179.45 176.05 1vfi h THR 39 N -0.02 0.33 -0.08 1.00 2.02 -1.45 1.22 112.91 115.94 1vfi h THR 39 Ca 0.02 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1vfi h THR 39 Cb 0.07 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 1vfi h THR 39 CO -0.13 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.33 1vfi h ARG 41 N -0.53 -0.40 -0.86 0.00 3.08 0.28 0.47 114.38 116.42 1vfi h ARG 41 Ca 0.06 0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.37 1vfi h ARG 41 Cb 0.64 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.63 1vfi h ARG 41 CO -0.37 -0.26 0.15 0.00 -1.07 0.00 0.00 179.97 178.42 1vfi h ARG 42 N -0.41 0.15 -0.09 0.04 3.08 0.20 1.59 114.38 118.94 1vfi h ARG 42 Ca -0.02 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1vfi h ARG 42 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1vfi h ARG 42 CO 0.01 0.10 -0.47 -0.91 -1.07 0.00 0.00 179.97 177.63 1vfi h ASN 43 N 0.15 0.23 0.83 7.04 2.35 0.16 -1.97 115.58 124.37 1vfi h ASN 43 Ca 0.53 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 1vfi h ASN 43 Cb 1.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1vfi h ASN 43 CO -0.69 0.67 -0.20 0.00 -1.65 0.00 0.00 177.43 175.55 1vfi h LYS 45 N 0.00 1.07 -0.00 0.00 3.64 0.12 -1.30 116.57 120.09 1vfi h LYS 45 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1vfi h LYS 45 Cb 0.67 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1vfi h LYS 45 CO 0.03 0.86 -0.47 1.63 -2.27 0.00 0.00 179.45 179.22 1vfi n LYS 46 N -4.30 0.42 0.19 1.90 4.76 -0.95 -1.74 118.16 118.44 1vfi n LYS 46 Ca 0.07 -0.27 -0.12 0.00 -2.87 0.00 0.00 58.31 55.11 1vfi n LYS 46 Cb 0.17 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 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 3.33 -0.52 -0.13 7.82 0.00 0.01 -3.42 119.26 126.35 1vfi h ALA 47 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1vfi h ALA 47 Cb 0.53 0.20 -0.19 0.00 0.00 0.00 0.00 17.79 18.32 1vfi h ALA 47 CO 0.00 -0.57 -0.46 -3.47 0.00 0.00 0.00 179.25 174.74 1vfi n ASP 48 N -5.15 -1.26 -1.23 0.00 -0.08 -1.00 -4.90 116.55 102.93 1vfi n ASP 48 Ca -0.09 -2.41 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 1vfi n ASP 48 Cb 0.28 0.70 -0.01 0.00 2.34 0.00 0.00 41.12 44.43 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vfi h GLU 50 N 0.59 -0.00 -0.05 0.00 4.39 -1.78 -2.82 114.58 114.91 1vfi h GLU 50 Ca -0.30 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.17 1vfi h GLU 50 Cb 1.68 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.35 1vfi h GLU 50 CO -0.02 0.88 -0.86 -1.00 -1.16 0.00 0.00 179.01 176.85 1vfi h PRO 51 N -0.91 0.67 -0.75 2.33 0.13 -1.90 -2.81 132.00 128.76 1vfi h PRO 51 Ca -0.00 -0.66 0.05 0.00 -0.87 0.00 0.00 66.00 64.53 1vfi h PRO 51 Cb 0.89 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1vfi h PRO 51 CO 0.00 1.26 0.45 1.96 -0.23 0.00 0.00 178.00 181.43 1vfi h GLN 52 N 0.34 0.80 -0.54 0.86 4.20 -1.90 0.57 115.11 119.45 1vfi h GLN 52 Ca -0.09 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1vfi h GLN 52 Cb 1.52 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 1vfi h GLN 52 CO 0.17 0.53 0.09 0.22 -0.67 0.00 0.00 178.83 179.17 1vfi h ASP 53 N 0.83 0.80 0.63 1.46 1.82 -1.53 -2.54 116.42 117.89 1vfi h ASP 53 Ca 0.33 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1vfi h ASP 53 Cb 0.15 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 39.96 1vfi h ASP 53 CO -0.16 0.81 -0.30 0.11 -1.61 0.00 0.00 179.24 178.08 1vfi h LYS 54 N 0.81 -0.82 -1.26 0.28 1.57 -0.86 0.95 116.57 117.25 1vfi h LYS 54 Ca 0.17 0.06 0.36 0.00 -1.87 0.00 0.00 60.65 59.37 1vfi h LYS 54 Cb 0.36 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 1vfi h LYS 54 CO 0.01 -0.52 0.88 0.28 -0.57 0.00 0.00 179.45 179.53 1vfi h VAL 55 N -0.93 0.36 0.29 0.50 2.07 -0.80 0.27 116.25 118.00 1vfi h VAL 55 Ca -0.09 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1vfi h VAL 55 Cb 0.68 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1vfi h VAL 55 CO 0.14 0.01 -0.14 0.00 0.02 0.00 0.00 177.57 177.61 1vfi h ASP 57 N -0.95 -0.65 -0.85 0.00 3.58 0.16 0.77 116.42 118.48 1vfi h ASP 57 Ca -0.04 0.26 0.17 0.00 0.42 0.00 0.00 57.03 57.84 1vfi h ASP 57 Cb 0.30 0.50 -0.16 0.00 1.72 0.00 0.00 39.33 41.69 1vfi h ASP 57 CO 0.07 -0.29 -0.23 0.00 -2.88 0.00 0.00 179.24 175.90 1vfi h ALA 58 N 1.89 0.50 0.08 -0.78 0.00 -0.66 1.09 119.26 121.39 1vfi h ALA 58 Ca 0.47 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.70 1vfi h ALA 58 Cb 0.82 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1vfi h ALA 58 CO -0.88 -0.43 -0.09 0.00 0.00 0.00 0.00 179.25 177.86 1vfi h ARG 60 N -0.17 0.00 0.07 0.00 3.08 -0.75 1.84 114.38 118.44 1vfi h ARG 60 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 1vfi h ARG 60 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1vfi h ARG 60 CO -0.01 0.00 -1.10 1.98 -1.07 0.00 0.00 179.97 179.77 1vfi h MET 61 N 0.00 0.27 0.00 0.04 4.05 0.26 -3.01 114.93 116.55 1vfi h MET 61 Ca 0.65 -0.39 -0.04 0.00 -0.28 0.00 0.00 59.70 59.64 1vfi h MET 61 Cb 2.62 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 33.55 1vfi h MET 61 CO -0.01 1.14 -0.31 0.87 0.23 0.00 0.00 176.91 178.83 1vfi h LYS 62 N 0.11 0.00 -0.97 0.39 6.56 1.10 -3.27 116.57 120.50 1vfi h LYS 62 Ca -0.10 0.00 0.31 0.00 -1.06 0.00 0.00 60.65 59.80 1vfi h LYS 62 Cb 1.79 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 33.28 1vfi h LYS 62 CO 0.18 0.44 0.26 0.00 -2.06 0.00 0.00 179.45 178.26 1vfi h HIS 64 N 0.08 -0.74 0.45 0.00 6.17 -1.64 0.94 115.15 120.39 1vfi h HIS 64 Ca 0.67 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.74 1vfi h HIS 64 Cb 1.52 0.31 0.00 0.00 2.52 0.00 0.00 27.41 31.76 1vfi h HIS 64 CO -0.27 -0.31 -0.22 -0.22 0.71 0.00 0.00 177.93 177.62 1vfi h LYS 65 N -0.42 -0.58 -1.24 5.26 3.64 -0.64 0.13 116.57 122.72 1vfi h LYS 65 Ca -0.01 0.04 0.36 0.00 -1.27 0.00 0.00 60.65 59.77 1vfi h LYS 65 Cb 0.40 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.27 1vfi h LYS 65 CO -0.11 -0.39 0.85 0.00 -2.27 0.00 0.00 179.45 177.53 1vfi h ALA 66 N -0.04 2.83 -0.01 5.00 0.00 0.21 0.92 119.26 128.16 1vfi h ALA 66 Ca -0.06 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1vfi h ALA 66 Cb 0.47 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1vfi h ALA 66 CO 0.10 -1.27 -0.27 0.00 0.00 0.00 0.00 179.25 177.81 1vfi h ARG 68 N -0.41 -0.55 -0.79 0.00 2.43 0.34 1.38 114.38 116.77 1vfi h ARG 68 Ca -0.03 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1vfi h ARG 68 Cb 0.99 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 1vfi h ARG 68 CO 0.05 -0.37 0.45 0.00 -1.51 0.00 0.00 179.97 178.60 1vfi h ALA 69 N -0.28 1.02 -3.00 2.80 0.00 -1.14 0.11 119.26 118.78 1vfi h ALA 69 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vfi h ALA 69 Cb 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1vfi h ALA 69 CO -0.45 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1vfi n ALA 70 N -2.36 0.00 -0.09 0.00 0.00 -0.32 -2.88 120.51 114.85 1vfi n ALA 70 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1vfi n ALA 70 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 1vfi n ALA 70 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vfi h ASN 71 N 0.00 -0.49 -0.79 0.00 -0.26 0.17 -2.18 115.58 112.02 1vfi h ASN 71 Ca 0.00 0.07 -0.70 0.00 -0.56 0.00 0.00 56.30 55.12 1vfi h ASN 71 Cb 0.00 0.22 -0.08 0.00 -1.06 0.00 0.00 38.32 37.39 1vfi h ASN 71 CO 0.00 -0.06 2.35 0.00 -1.06 0.00 0.00 177.43 178.66 1vfi h ALA 73 N 7.07 0.64 0.00 0.00 0.00 -1.25 -3.20 119.26 122.52 1vfi h ALA 73 Ca 0.46 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1vfi h ALA 73 Cb 0.80 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1vfi h ALA 73 CO 1.55 0.65 -1.80 0.43 0.00 0.00 0.00 179.25 180.09 1vfi n SER 74 N -2.94 2.06 0.28 0.00 7.64 -1.26 -4.48 113.62 114.92 1vfi n SER 74 Ca -0.05 0.04 0.19 0.00 1.01 0.00 0.00 58.87 60.07 1vfi n SER 74 Cb 0.75 -0.31 0.99 0.00 -1.01 0.00 0.00 64.21 64.63 1vfi n SER 74 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vfi h GLU 75 N -0.24 0.00 -3.04 1.43 3.07 -1.87 -3.32 114.58 110.60 1vfi h GLU 75 Ca -0.34 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.98 1vfi h GLU 75 Cb 1.40 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.91 1vfi h GLU 75 CO -0.13 0.00 -0.77 0.00 -1.40 0.00 0.00 179.01 176.71 1vfi s PRO 77 N 1.90 -0.53 -0.69 0.00 0.04 -1.25 -4.50 135.00 129.96 1vfi s PRO 77 Ca 0.10 -0.34 -0.04 0.00 0.04 0.00 0.00 61.00 60.75 1vfi s PRO 77 Cb -0.17 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1vfi s PRO 77 CO -0.32 -3.21 2.68 1.17 0.04 0.00 0.00 177.00 177.36 1vfi n LYS 78 N -4.34 3.03 0.12 4.56 0.00 -1.26 -4.15 118.16 116.11 1vfi n LYS 78 Ca 0.16 -2.65 0.00 0.00 0.00 0.00 0.00 58.31 55.82 1vfi n LYS 78 Cb 0.59 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.34 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 1.14 -3.34 -2.53 5.64 -0.00 -1.26 -5.11 115.22 109.75 1vfi n HIS 79 Ca 0.53 0.79 -0.42 0.00 0.46 0.00 0.00 57.72 59.08 1vfi n HIS 79 Cb 0.47 2.17 -0.03 0.00 -0.12 0.00 0.00 29.99 32.48 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 -1.68 4.48 -0.12 1.57 2.02 -1.26 -4.91 118.70 118.80 1vfi s GLU 80 Ca 0.00 1.64 0.21 0.00 0.02 0.00 0.00 54.97 56.83 1vfi s GLU 80 Cb 0.00 -3.39 0.44 0.00 0.10 0.00 0.00 34.13 31.28 1vfi s GLU 80 CO 0.00 -0.18 1.17 -2.39 0.02 0.00 0.00 175.26 173.88 1vfi n HIS 81 N 3.94 0.44 -2.69 1.61 1.44 -1.26 -4.11 115.22 114.59 1vfi n HIS 81 Ca 0.08 -1.15 -0.07 0.00 -2.01 0.00 0.00 57.72 54.57 1vfi n HIS 81 Cb 0.48 -0.20 0.10 0.00 0.12 0.00 0.00 29.99 30.49 1vfi n HIS 81 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1vfi n LYS 82 N -0.15 1.23 -4.50 -1.40 2.85 -1.26 -5.03 118.16 109.90 1vfi n LYS 82 Ca 0.12 -2.10 -0.34 0.00 -1.05 0.00 0.00 58.31 54.94 1vfi n LYS 82 Cb 0.97 -0.29 -0.11 0.00 -0.65 0.00 0.00 35.03 34.95 1vfi n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1vfi s SER 83 N -1.67 4.82 0.21 -5.58 1.04 -1.26 -5.01 113.70 106.25 1vfi s SER 83 Ca 0.22 -0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.53 1vfi s SER 83 Cb 0.41 -1.46 0.29 0.00 0.10 0.00 0.00 66.02 65.37 1vfi s SER 83 CO -0.07 0.30 1.74 0.44 0.98 0.00 0.00 173.24 176.63 1vfi h ASP 84 N 5.76 0.21 -0.01 7.02 3.32 -1.98 0.70 116.42 131.43 1vfi h ASP 84 Ca -0.43 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1vfi h ASP 84 Cb 1.18 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1vfi h ASP 84 CO 0.56 0.12 0.07 0.00 -1.72 0.00 0.00 179.24 178.28 1vfi h THR 85 N 0.40 0.06 0.00 0.35 1.03 -1.95 0.25 112.91 113.05 1vfi h THR 85 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.71 1vfi h THR 85 Cb 0.40 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.41 1vfi h THR 85 CO -0.32 0.00 -0.21 0.00 -0.01 0.00 0.00 175.52 174.98 1vfi h ARG 87 N -0.50 0.00 0.03 0.00 3.08 -0.32 0.22 114.38 116.89 1vfi h ARG 87 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vfi h ARG 87 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1vfi h ARG 87 CO 0.00 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.88 1vfi h ALA 88 N 1.12 -0.05 -0.13 0.04 0.00 -0.65 -2.92 119.26 116.68 1vfi h ALA 88 Ca 0.36 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1vfi h ALA 88 Cb 1.93 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 1vfi h ALA 88 CO -0.00 -0.05 -0.52 0.00 0.00 0.00 0.00 179.25 178.67 1vfi h MET 90 N -0.56 0.22 -0.65 0.00 2.07 -1.04 0.65 114.93 115.62 1vfi h MET 90 Ca 0.03 -0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.74 1vfi h MET 90 Cb 0.65 -0.05 -0.11 0.00 -1.87 0.00 0.00 31.60 30.22 1vfi h MET 90 CO -0.42 0.15 -0.43 -0.22 1.07 0.00 0.00 176.91 177.06 1vfi h LYS 91 N 0.23 -0.18 0.00 1.72 3.64 -0.06 0.20 116.57 122.12 1vfi h LYS 91 Ca 0.62 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.94 1vfi h LYS 91 Cb 1.91 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 1vfi h LYS 91 CO -0.23 -0.12 -1.00 2.41 -2.27 0.00 0.00 179.45 178.24 1vfi n THR 92 N -5.41 1.47 -0.33 1.00 -1.04 -0.05 -4.16 114.28 105.77 1vfi n THR 92 Ca 0.03 0.10 -0.11 0.00 -2.04 0.00 0.00 64.05 62.03 1vfi n THR 92 Cb 0.35 -2.29 -0.08 0.00 -1.82 0.00 0.00 70.33 66.49 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 -1.00 -1.98 -2.37 8.00 2.35 0.15 -1.40 115.58 119.33 1vfi h ASN 93 Ca -0.11 0.30 -0.78 0.00 -0.55 0.00 0.00 56.30 55.16 1vfi h ASN 93 Cb 0.90 0.87 -0.22 0.00 0.05 0.00 0.00 38.32 39.92 1vfi h ASN 93 CO -0.07 -0.29 1.25 0.00 -1.65 0.00 0.00 177.43 176.68