#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 6.10 0.17 4.38 0.01 -1.26 -4.95 113.70 118.16 1vfi s SER 2 Ca 0.00 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1vfi s SER 2 Cb 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1vfi s SER 2 CO 0.00 0.25 0.00 1.21 0.41 0.00 0.00 173.24 175.11 1vfi n GLU 3 N 3.04 0.00 -3.57 12.44 2.13 -1.26 -5.02 120.64 128.39 1vfi n GLU 3 Ca -0.17 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.35 1vfi n GLU 3 Cb 0.53 -0.21 -0.13 0.00 0.27 0.00 0.00 31.44 31.91 1vfi n GLU 3 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1vfi s PHE 4 N -2.00 1.26 0.02 4.31 5.36 -1.26 -5.11 117.98 120.57 1vfi s PHE 4 Ca 0.00 -1.95 -0.02 0.00 -0.96 0.00 0.00 56.93 54.00 1vfi s PHE 4 Cb 0.00 -1.34 -0.02 0.00 -0.34 0.00 0.00 43.02 41.32 1vfi s PHE 4 CO 0.00 -0.81 0.01 0.00 -1.46 0.00 0.00 175.22 172.96 1vfi s ALA 5 N 0.80 0.08 0.23 11.12 0.00 -1.26 -5.14 121.76 127.59 1vfi s ALA 5 Ca 0.18 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1vfi s ALA 5 Cb -0.23 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 1vfi s ALA 5 CO -0.00 -0.22 1.10 -1.25 0.00 0.00 0.00 175.76 175.39 1vfi s PRO 6 N -1.95 4.62 -0.87 0.00 0.04 -1.26 -4.89 135.00 130.69 1vfi s PRO 6 Ca -0.11 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 1vfi s PRO 6 Cb -0.06 -3.23 0.17 0.00 0.04 0.00 0.00 34.50 31.41 1vfi s PRO 6 CO -0.02 0.15 0.95 0.08 0.04 0.00 0.00 177.00 178.20 1vfi s VAL 7 N -0.71 5.11 -0.40 -0.36 1.01 -1.16 -4.81 120.40 119.08 1vfi s VAL 7 Ca 0.47 -1.92 0.10 0.00 0.00 0.00 0.00 61.98 60.62 1vfi s VAL 7 Cb -0.31 -4.63 0.62 0.00 0.00 0.00 0.00 36.38 32.07 1vfi s VAL 7 CO 0.38 -1.28 1.51 0.47 0.00 0.00 0.00 175.10 176.18 1vfi n ASP 8 N 5.44 4.52 -3.04 3.32 8.00 -1.26 -4.62 116.55 128.91 1vfi n ASP 8 Ca 0.18 -2.81 -0.10 0.00 0.71 0.00 0.00 54.79 52.77 1vfi n ASP 8 Cb 0.48 -0.67 0.04 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.66 0.00 0.03 0.00 5.02 -1.26 -3.60 118.16 115.69 1vfi n LYS 10 Ca -0.04 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.29 1vfi n LYS 10 Cb 0.58 -0.12 0.21 0.00 -0.02 0.00 0.00 35.03 35.68 1vfi n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vfi n GLY 11 N 2.79 -0.78 0.03 0.72 0.00 -1.26 -0.49 105.19 106.20 1vfi n GLY 11 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.65 0.15 -3.22 1.61 1.13 -1.26 -4.26 117.38 109.89 1vfi n GLN 12 Ca 0.01 0.04 -0.32 0.00 -1.94 0.00 0.00 57.00 54.79 1vfi n GLN 12 Cb 0.08 -1.59 -0.05 0.00 0.11 0.00 0.00 30.24 28.80 1vfi n GLN 12 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vfi n THR 14 N 0.81 0.33 -0.02 0.00 -1.04 -1.26 -4.22 114.28 108.89 1vfi n THR 14 Ca 0.30 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.05 62.04 1vfi n THR 14 Cb 0.38 -0.99 -0.11 0.00 -1.82 0.00 0.00 70.33 67.78 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 -0.07 1.50 0.00 12.58 2.02 -1.91 0.63 112.91 127.65 1vfi h THR 15 Ca -0.14 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1vfi h THR 15 Cb 1.18 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1vfi h THR 15 CO -0.04 0.55 0.00 -0.81 0.37 0.00 0.00 175.52 175.59 1vfi n PRO 16 N -4.41 0.11 -0.15 6.66 -0.04 -1.26 -2.43 135.00 133.47 1vfi n PRO 16 Ca -0.10 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1vfi n PRO 16 Cb 0.56 -1.66 0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.00 0.00 4.22 0.62 0.55 114.58 119.57 1vfi h GLU 18 Ca 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1vfi h GLU 18 Cb 1.06 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1vfi h GLU 18 CO 0.00 -0.07 -0.19 -1.00 -2.18 0.00 0.00 179.01 175.56 1vfi h PRO 19 N -0.92 0.00 -0.03 0.92 0.13 -1.83 -2.45 132.00 127.82 1vfi h PRO 19 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.91 1vfi h PRO 19 Cb 0.52 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.66 1vfi h PRO 19 CO 0.07 0.19 -0.67 1.25 -0.23 0.00 0.00 178.00 178.62 1vfi h LEU 20 N 0.00 0.63 -0.50 1.56 7.12 -1.83 -2.95 115.31 119.34 1vfi h LEU 20 Ca -0.00 -0.73 -0.05 0.00 0.13 0.00 0.00 57.88 57.23 1vfi h LEU 20 Cb 0.90 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 1vfi h LEU 20 CO 0.03 1.27 0.12 0.74 -0.13 0.00 0.00 178.44 180.46 1vfi h THR 21 N 0.05 1.24 -0.89 1.05 2.02 -0.83 -2.41 112.91 113.14 1vfi h THR 21 Ca -0.08 -0.86 0.11 0.00 0.77 0.00 0.00 66.41 66.36 1vfi h THR 21 Cb 1.35 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 1vfi h THR 21 CO 0.13 0.31 0.57 0.00 0.37 0.00 0.00 175.52 176.91 1vfi h ALA 22 N 0.99 1.70 0.09 6.16 0.00 -1.49 0.04 119.26 126.75 1vfi h ALA 22 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1vfi h ALA 22 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vfi h ALA 22 CO 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 1vfi h LYS 24 N -0.14 -0.00 0.04 0.00 1.57 -1.25 0.76 116.57 117.55 1vfi h LYS 24 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vfi h LYS 24 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1vfi h LYS 24 CO 0.01 -0.00 -0.08 0.93 -0.57 0.00 0.00 179.45 179.74 1vfi h GLU 25 N -0.00 -0.12 -1.06 3.15 4.39 -0.75 0.46 114.58 120.64 1vfi h GLU 25 Ca 0.42 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.56 1vfi h GLU 25 Cb 0.65 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 29.16 1vfi h GLU 25 CO -0.92 -0.08 0.60 1.17 -1.16 0.00 0.00 179.01 178.62 1vfi n LYS 26 N -2.83 -0.06 0.33 2.33 4.81 0.11 0.67 118.16 123.53 1vfi n LYS 26 Ca -0.01 1.35 -0.13 0.00 -0.87 0.00 0.00 58.31 58.64 1vfi n LYS 26 Cb 0.06 -2.46 -0.06 0.00 0.02 0.00 0.00 35.03 32.59 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 -1.39 0.83 -0.49 0.00 0.00 0.49 1.59 119.26 120.29 1vfi h ALA 28 Ca -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1vfi h ALA 28 Cb 0.66 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1vfi h ALA 28 CO 0.15 -0.45 0.28 0.93 0.00 0.00 0.00 179.25 180.16 1vfi h GLU 29 N 0.01 0.67 -0.87 0.00 4.39 -0.68 -0.30 114.58 117.80 1vfi h GLU 29 Ca 0.51 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.99 1vfi h GLU 29 Cb 0.89 -0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 1vfi h GLU 29 CO -0.95 0.50 0.19 0.45 -1.16 0.00 0.00 179.01 178.05 1vfi n SER 30 N -4.69 3.66 -2.68 1.42 2.88 0.39 -3.79 113.62 110.82 1vfi n SER 30 Ca 0.02 -2.76 -0.03 0.00 -1.33 0.00 0.00 58.87 54.77 1vfi n SER 30 Cb 0.07 -0.66 0.12 0.00 -0.75 0.00 0.00 64.21 62.99 1vfi n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi h GLU 32 N 1.32 0.00 0.00 0.00 5.08 -1.20 -3.37 114.58 116.42 1vfi h GLU 32 Ca -0.39 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1vfi h GLU 32 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1vfi h GLU 32 CO -0.14 0.24 -0.27 1.79 -1.00 0.00 0.00 179.01 179.64 1vfi h THR 33 N -1.00 0.95 -1.12 1.13 1.35 -1.88 -3.43 112.91 108.90 1vfi h THR 33 Ca -0.06 -1.00 -0.71 0.00 -0.55 0.00 0.00 66.41 64.09 1vfi h THR 33 Cb 0.54 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1vfi h THR 33 CO -0.03 0.26 1.22 -1.20 -0.25 0.00 0.00 175.52 175.52 1vfi n SER 34 N -3.87 2.08 -0.34 5.36 7.64 -1.26 -4.81 113.62 118.41 1vfi n SER 34 Ca -0.02 0.69 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 1vfi n SER 34 Cb 0.35 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 1vfi n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vfi h ALA 35 N 10.10 -0.58 -1.58 -0.43 0.00 -1.92 -2.96 119.26 121.90 1vfi h ALA 35 Ca -0.32 0.09 -0.66 0.00 0.00 0.00 0.00 54.91 54.02 1vfi h ALA 35 Cb 1.33 1.31 -0.14 0.00 0.00 0.00 0.00 17.79 20.28 1vfi h ALA 35 CO 1.01 -0.95 1.15 -0.51 0.00 0.00 0.00 179.25 179.95 1vfi s ASP 36 N -5.29 6.61 -0.01 0.00 1.01 -1.26 -4.84 116.67 112.89 1vfi s ASP 36 Ca -0.12 -1.87 -0.17 0.00 0.71 0.00 0.00 52.55 51.10 1vfi s ASP 36 Cb 0.10 -2.47 -0.09 0.00 1.01 0.00 0.00 42.92 41.47 1vfi s ASP 36 CO 0.59 -1.22 0.82 0.11 0.21 0.00 0.00 175.17 175.68 1vfi h LYS 37 N 9.09 -0.59 -0.85 8.23 1.57 -1.79 -0.16 116.57 132.07 1vfi h LYS 37 Ca 0.19 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.14 1vfi h LYS 37 Cb 1.01 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.31 1vfi h LYS 37 CO 1.25 -0.39 -0.38 -0.22 -0.57 0.00 0.00 179.45 179.13 1vfi h LYS 38 N -0.96 -0.06 0.54 3.15 1.63 -1.91 0.27 116.57 119.23 1vfi h LYS 38 Ca -0.06 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1vfi h LYS 38 Cb 0.47 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1vfi h LYS 38 CO 0.10 -0.04 -0.49 1.15 -3.45 0.00 0.00 179.45 176.72 1vfi h THR 39 N -0.06 0.04 -0.93 1.00 2.02 -1.96 1.06 112.91 114.07 1vfi h THR 39 Ca 0.30 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.63 1vfi h THR 39 Cb 0.58 0.04 -0.16 0.00 -1.74 0.00 0.00 68.15 66.87 1vfi h THR 39 CO -0.88 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 174.65 1vfi h ARG 41 N -0.03 -0.90 -0.97 0.00 3.08 -0.05 0.32 114.38 115.84 1vfi h ARG 41 Ca 0.34 0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.67 1vfi h ARG 41 Cb 0.60 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.67 1vfi h ARG 41 CO -0.94 -0.57 -0.14 0.54 -1.07 0.00 0.00 179.97 177.79 1vfi n ARG 42 N -5.45 -0.08 -0.07 0.04 3.00 0.36 0.15 116.66 114.60 1vfi n ARG 42 Ca -0.13 1.49 -0.14 0.00 -0.01 0.00 0.00 57.85 59.05 1vfi n ARG 42 Cb 0.39 -2.28 -0.05 0.00 0.00 0.00 0.00 32.46 30.51 1vfi n ARG 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1vfi h ASN 43 N 0.00 0.77 -0.75 0.55 2.35 -0.17 -2.76 115.58 115.56 1vfi h ASN 43 Ca 0.51 -0.53 0.16 0.00 -0.55 0.00 0.00 56.30 55.90 1vfi h ASN 43 Cb 0.90 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 1vfi h ASN 43 CO -0.97 1.15 0.51 0.00 -1.65 0.00 0.00 177.43 176.47 1vfi h LYS 45 N 0.34 1.13 0.00 0.00 3.11 0.83 -1.32 116.57 120.65 1vfi h LYS 45 Ca 0.37 -0.18 -0.05 0.00 -2.81 0.00 0.00 60.65 57.98 1vfi h LYS 45 Cb 0.96 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 1vfi h LYS 45 CO -0.11 0.90 -0.24 -0.22 -2.81 0.00 0.00 179.45 176.97 1vfi h LYS 46 N 1.10 0.00 -0.14 1.90 1.63 -0.08 0.84 116.57 121.81 1vfi h LYS 46 Ca 0.26 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1vfi h LYS 46 Cb 0.16 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 1vfi h LYS 46 CO -0.03 0.24 -0.51 0.00 -3.45 0.00 0.00 179.45 175.70 1vfi h ALA 47 N 1.76 -0.86 0.00 5.00 0.00 0.63 -3.40 119.26 122.40 1vfi h ALA 47 Ca -0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1vfi h ALA 47 Cb 0.96 0.99 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 1vfi h ALA 47 CO 0.03 -1.05 -0.21 -3.47 0.00 0.00 0.00 179.25 174.55 1vfi n ASP 48 N -5.23 -1.79 -0.93 0.00 2.03 -1.21 -4.94 116.55 104.48 1vfi n ASP 48 Ca -0.06 -2.56 0.01 0.00 0.52 0.00 0.00 54.79 52.71 1vfi n ASP 48 Cb 0.35 1.28 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 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 0.40 0.24 0.00 0.00 4.39 -1.82 0.47 114.58 118.27 1vfi h GLU 50 Ca -0.12 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 1vfi h GLU 50 Cb 1.58 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1vfi h GLU 50 CO 0.02 0.52 -0.22 -1.00 -1.16 0.00 0.00 179.01 177.18 1vfi h PRO 51 N -0.06 0.00 0.00 2.33 0.13 -1.92 -2.60 132.00 129.89 1vfi h PRO 51 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1vfi h PRO 51 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 1vfi h PRO 51 CO 0.01 0.22 -0.01 1.96 -0.23 0.00 0.00 178.00 179.95 1vfi h GLN 52 N 0.00 0.00 -0.84 0.86 4.20 -1.86 -1.98 115.11 115.49 1vfi h GLN 52 Ca -0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 1vfi h GLN 52 Cb 0.92 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 1vfi h GLN 52 CO 0.03 0.11 0.58 0.22 -0.67 0.00 0.00 178.83 179.11 1vfi h ASP 53 N -1.00 0.14 0.12 1.46 3.58 -0.15 -0.58 116.42 119.99 1vfi h ASP 53 Ca -0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1vfi h ASP 53 Cb 0.13 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1vfi h ASP 53 CO -0.00 0.05 -0.06 0.11 -2.88 0.00 0.00 179.24 176.47 1vfi h LYS 54 N 0.14 -0.15 -1.77 0.28 1.57 -1.55 -2.39 116.57 112.70 1vfi h LYS 54 Ca 0.41 0.01 0.53 0.00 -1.87 0.00 0.00 60.65 59.73 1vfi h LYS 54 Cb 1.41 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.67 1vfi h LYS 54 CO -0.06 -0.10 1.25 0.28 -0.57 0.00 0.00 179.45 180.24 1vfi n VAL 55 N -2.91 -0.06 0.14 0.50 0.31 -0.74 0.69 118.33 116.26 1vfi n VAL 55 Ca -0.02 1.50 -0.06 0.00 -0.01 0.00 0.00 64.34 65.75 1vfi n VAL 55 Cb 0.06 -2.48 -0.03 0.00 -0.91 0.00 0.00 33.84 30.48 1vfi n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vfi n ASP 57 N -3.45 -0.45 -0.25 0.00 2.03 0.22 0.14 116.55 114.80 1vfi n ASP 57 Ca -0.05 1.67 -0.02 0.00 0.52 0.00 0.00 54.79 56.92 1vfi n ASP 57 Cb 0.14 -0.46 0.05 0.00 -0.72 0.00 0.00 41.12 40.13 1vfi n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi h ALA 58 N 1.71 0.24 -0.05 -1.67 0.00 -1.20 1.20 119.26 119.49 1vfi h ALA 58 Ca 0.42 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.58 1vfi h ALA 58 Cb 0.66 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1vfi h ALA 58 CO -0.98 -0.54 -0.45 0.00 0.00 0.00 0.00 179.25 177.28 1vfi h ARG 60 N -0.53 0.85 -0.61 0.00 3.08 -0.38 0.68 114.38 117.47 1vfi h ARG 60 Ca 0.02 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1vfi h ARG 60 Cb 0.58 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1vfi h ARG 60 CO -0.32 0.56 0.09 1.98 -1.07 0.00 0.00 179.97 181.21 1vfi h MET 61 N 0.87 1.02 -0.29 0.04 4.05 0.37 -1.17 114.93 119.82 1vfi h MET 61 Ca 0.51 -0.28 -0.18 0.00 -0.28 0.00 0.00 59.70 59.47 1vfi h MET 61 Cb 0.66 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1vfi h MET 61 CO -0.29 0.96 -0.52 -0.22 0.23 0.00 0.00 176.91 177.08 1vfi h LYS 62 N 0.93 0.87 -0.58 0.39 1.63 0.41 -3.04 116.57 117.18 1vfi h LYS 62 Ca 0.19 -0.54 0.06 0.00 -0.85 0.00 0.00 60.65 59.50 1vfi h LYS 62 Cb 0.44 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.08 1vfi h LYS 62 CO 0.01 1.18 0.29 0.00 -3.45 0.00 0.00 179.45 177.48 1vfi h HIS 64 N 0.55 -1.19 -0.33 0.00 -0.00 -1.09 1.64 115.15 114.72 1vfi h HIS 64 Ca 0.27 0.08 -0.16 0.00 -0.00 0.00 0.00 60.37 60.56 1vfi h HIS 64 Cb 0.20 0.62 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 1vfi h HIS 64 CO -0.11 -0.41 -0.44 0.87 -0.00 0.00 0.00 177.93 177.85 1vfi h LYS 65 N -0.17 0.86 -0.16 5.26 1.57 -1.38 -2.01 116.57 120.54 1vfi h LYS 65 Ca 0.21 -0.48 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1vfi h LYS 65 Cb 0.56 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1vfi h LYS 65 CO -0.74 1.12 -0.17 0.00 -0.57 0.00 0.00 179.45 179.10 1vfi h ALA 66 N 0.80 -0.07 0.02 3.86 0.00 0.36 -0.33 119.26 123.90 1vfi h ALA 66 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1vfi h ALA 66 Cb 1.02 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1vfi h ALA 66 CO 0.10 -0.61 -0.09 0.00 0.00 0.00 0.00 179.25 178.65 1vfi h ARG 68 N -0.16 0.20 0.00 0.00 2.43 -0.56 1.64 114.38 117.93 1vfi h ARG 68 Ca 0.03 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 1vfi h ARG 68 Cb 0.19 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1vfi h ARG 68 CO -0.07 0.13 -1.47 0.00 -1.51 0.00 0.00 179.97 177.05 1vfi n ALA 69 N -2.55 1.90 -0.72 2.80 0.00 -0.22 -3.16 120.51 118.57 1vfi n ALA 69 Ca 0.31 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1vfi n ALA 69 Cb 1.18 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1vfi n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfi n ALA 70 N -2.41 -0.01 -0.34 0.00 0.00 0.47 -4.67 120.51 113.55 1vfi n ALA 70 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1vfi n ALA 70 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1vfi n ALA 70 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vfi n ASN 71 N -0.93 0.00 -4.77 0.00 2.85 0.36 -4.76 115.26 108.02 1vfi n ASN 71 Ca 0.00 0.83 -0.29 0.00 -0.11 0.00 0.00 54.58 55.01 1vfi n ASN 71 Cb 0.00 -0.33 0.13 0.00 1.24 0.00 0.00 39.78 40.82 1vfi n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vfi n ALA 73 N -3.73 0.00 -0.02 0.00 0.00 -1.19 -3.64 120.51 111.94 1vfi n ALA 73 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1vfi n ALA 73 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 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 0.32 -0.66 0.00 0.87 -1.91 -3.36 113.55 108.82 1vfi h SER 74 Ca 0.00 -0.83 0.07 0.00 -1.23 0.00 0.00 61.79 59.80 1vfi h SER 74 Cb 0.00 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 1vfi h SER 74 CO 0.00 1.72 0.44 -0.33 -0.53 0.00 0.00 176.83 178.13 1vfi h GLU 75 N -0.26 0.63 -4.62 2.24 3.07 -1.93 -3.33 114.58 110.38 1vfi h GLU 75 Ca -0.38 -0.04 -0.68 0.00 -0.50 0.00 0.00 59.36 57.77 1vfi h GLU 75 Cb 1.81 -0.14 -0.36 0.00 -0.84 0.00 0.00 28.75 29.21 1vfi h GLU 75 CO 0.02 0.42 -0.65 0.00 -1.40 0.00 0.00 179.01 177.40 1vfi n PRO 77 N 4.48 -1.20 0.00 0.00 -0.04 -1.25 -4.53 135.00 132.45 1vfi n PRO 77 Ca -0.03 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1vfi n PRO 77 Cb 0.42 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1vfi n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vfi n LYS 78 N -2.51 0.00 0.00 0.54 4.76 -1.26 -4.46 118.16 115.22 1vfi n LYS 78 Ca 0.07 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1vfi n LYS 78 Cb 0.24 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1vfi n LYS 78 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1vfi n HIS 79 N -1.33 0.00 0.00 2.13 8.25 -1.26 -5.05 115.22 117.96 1vfi n HIS 79 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vfi n HIS 79 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vfi n HIS 79 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1vfi n GLU 80 N -0.35 0.00 -3.19 -0.41 0.28 -1.26 -4.95 120.64 110.76 1vfi n GLU 80 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1vfi n GLU 80 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1vfi n GLU 80 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1vfi n HIS 81 N -1.06 0.10 -3.42 -1.84 8.25 -1.26 -4.94 115.22 111.04 1vfi n HIS 81 Ca 0.00 -3.75 -0.20 0.00 -0.26 0.00 0.00 57.72 53.52 1vfi n HIS 81 Cb 0.00 -0.40 0.06 0.00 1.12 0.00 0.00 29.99 30.77 1vfi n HIS 81 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1vfi n LYS 82 N 0.62 -3.02 -2.61 -0.41 4.81 -1.26 -4.92 118.16 111.37 1vfi n LYS 82 Ca 0.24 0.75 -0.42 0.00 -0.87 0.00 0.00 58.31 58.01 1vfi n LYS 82 Cb 0.61 -5.40 -0.03 0.00 0.02 0.00 0.00 35.03 30.23 1vfi n LYS 82 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1vfi s SER 83 N -3.67 7.30 0.07 3.14 1.04 -1.26 -4.96 113.70 115.36 1vfi s SER 83 Ca 0.34 1.83 -0.35 0.00 0.48 0.00 0.00 55.95 58.25 1vfi s SER 83 Cb -0.07 -2.58 -0.19 0.00 0.10 0.00 0.00 66.02 63.29 1vfi s SER 83 CO 0.77 -0.28 1.59 0.44 0.98 0.00 0.00 173.24 176.75 1vfi h ASP 84 N 6.37 -1.06 -0.97 7.02 3.32 -1.94 -0.66 116.42 128.51 1vfi h ASP 84 Ca -0.42 0.05 0.30 0.00 0.02 0.00 0.00 57.03 56.99 1vfi h ASP 84 Cb 1.22 0.30 -0.18 0.00 0.22 0.00 0.00 39.33 40.89 1vfi h ASP 84 CO 0.76 -0.68 0.15 1.07 -1.72 0.00 0.00 179.24 178.82 1vfi n THR 85 N -5.57 -0.41 0.17 0.35 5.66 -1.26 0.01 114.28 113.22 1vfi n THR 85 Ca -0.14 2.09 -0.07 0.00 -3.05 0.00 0.00 64.05 62.88 1vfi n THR 85 Cb 0.45 -3.13 -0.03 0.00 -1.55 0.00 0.00 70.33 66.07 1vfi n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vfi n ARG 87 N -3.43 -0.00 -0.06 0.00 1.74 0.35 0.21 116.66 115.46 1vfi n ARG 87 Ca -0.05 1.08 -0.03 0.00 -0.77 0.00 0.00 57.85 58.08 1vfi n ARG 87 Cb 0.17 -2.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.10 1vfi n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vfi h ALA 88 N 1.00 0.01 -1.21 7.54 0.00 -0.06 -2.52 119.26 124.01 1vfi h ALA 88 Ca 0.94 -0.22 0.41 0.00 0.00 0.00 0.00 54.91 56.04 1vfi h ALA 88 Cb 3.78 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 21.61 1vfi h ALA 88 CO -0.01 0.18 0.76 0.00 0.00 0.00 0.00 179.25 180.17 1vfi h MET 90 N 0.12 -0.45 -0.76 0.00 2.07 -0.43 -3.06 114.93 112.42 1vfi h MET 90 Ca 0.81 0.03 0.22 0.00 -2.07 0.00 0.00 59.70 58.68 1vfi h MET 90 Cb 2.36 0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 32.16 1vfi h MET 90 CO -0.50 -0.30 0.59 -0.22 1.07 0.00 0.00 176.91 177.56 1vfi h LYS 91 N -0.85 0.00 0.53 1.72 3.64 -0.39 0.66 116.57 121.88 1vfi h LYS 91 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1vfi h LYS 91 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1vfi h LYS 91 CO 0.08 0.00 -0.41 1.15 -2.27 0.00 0.00 179.45 178.00 1vfi h THR 92 N 0.00 0.17 0.00 1.00 2.02 0.13 -3.41 112.91 112.81 1vfi h THR 92 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1vfi h THR 92 Cb 1.54 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1vfi h THR 92 CO -0.00 0.00 -0.09 -0.46 0.37 0.00 0.00 175.52 175.34 1vfi n ASN 93 N -5.52 0.62 -3.74 4.18 0.23 -0.26 -4.82 115.26 105.94 1vfi n ASN 93 Ca -0.12 0.22 -0.42 0.00 -0.53 0.00 0.00 54.58 53.74 1vfi n ASN 93 Cb 0.42 -0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 37.97 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33