#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 1.32 -0.20 7.28 0.15 -1.26 -5.13 113.70 115.86 1vfi s SER 2 Ca 0.00 -0.03 -0.27 0.00 0.70 0.00 0.00 55.95 56.35 1vfi s SER 2 Cb 0.00 -0.06 0.08 0.00 -1.71 0.00 0.00 66.02 64.33 1vfi s SER 2 CO 0.00 -0.27 0.76 -1.61 1.20 0.00 0.00 173.24 173.32 1vfi s GLU 3 N 2.19 0.85 0.19 5.44 2.02 -1.26 -5.14 118.70 122.99 1vfi s GLU 3 Ca 0.04 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.70 1vfi s GLU 3 Cb -0.13 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1vfi s GLU 3 CO -0.05 -0.17 0.00 1.19 0.02 0.00 0.00 175.26 176.25 1vfi n PHE 4 N 1.97 -2.05 -1.52 1.61 3.72 -1.26 -4.98 117.46 114.96 1vfi n PHE 4 Ca -0.15 1.02 0.14 0.00 -0.05 0.00 0.00 57.45 58.41 1vfi n PHE 4 Cb 0.56 -1.86 -0.08 0.00 -0.94 0.00 0.00 39.48 37.16 1vfi n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vfi n ALA 5 N -1.55 -3.47 -1.51 4.37 0.00 -1.26 -4.92 120.51 112.16 1vfi n ALA 5 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 53.44 54.01 1vfi n ALA 5 Cb 0.59 -1.60 0.21 0.00 0.00 0.00 0.00 19.45 18.65 1vfi n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vfi s PRO 6 N -4.62 -0.25 0.27 0.00 0.04 -1.26 -5.05 135.00 124.12 1vfi s PRO 6 Ca 0.00 -0.23 -0.10 0.00 0.04 0.00 0.00 61.00 60.71 1vfi s PRO 6 Cb 0.00 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 1vfi s PRO 6 CO 0.00 -3.04 0.60 0.54 0.04 0.00 0.00 177.00 175.14 1vfi s VAL 7 N -3.45 4.89 0.45 -0.36 0.11 -0.91 -5.01 120.40 116.12 1vfi s VAL 7 Ca 0.72 0.50 0.08 0.00 -2.93 0.00 0.00 61.98 60.35 1vfi s VAL 7 Cb -0.07 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1vfi s VAL 7 CO 0.54 -0.16 0.46 -1.81 -3.33 0.00 0.00 175.10 170.80 1vfi s ASP 8 N -2.52 5.09 0.00 3.54 1.01 -1.26 -3.74 116.67 118.79 1vfi s ASP 8 Ca 0.48 -0.78 0.00 0.00 0.71 0.00 0.00 52.55 52.96 1vfi s ASP 8 Cb -0.11 -0.35 0.00 0.00 1.01 0.00 0.00 42.92 43.47 1vfi s ASP 8 CO 0.23 -0.81 0.00 0.00 0.21 0.00 0.00 175.17 174.80 1vfi h LYS 10 N 0.00 -0.26 0.77 0.00 3.64 -1.96 0.48 116.57 119.24 1vfi h LYS 10 Ca 0.00 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1vfi h LYS 10 Cb 0.00 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1vfi h LYS 10 CO 0.00 -0.18 -0.45 0.78 -2.27 0.00 0.00 179.45 177.34 1vfi h GLY 11 N -0.27 -1.27 -1.52 5.01 0.00 -2.02 -2.05 103.07 100.96 1vfi h GLY 11 Ca 0.03 0.51 0.50 0.00 0.00 0.00 0.00 47.33 48.37 1vfi h GLY 11 CO -0.30 -0.43 1.15 1.46 0.00 0.00 0.00 176.54 178.41 1vfi h GLN 12 N -1.13 0.02 -3.00 4.80 1.08 -1.81 -0.16 115.11 114.91 1vfi h GLN 12 Ca -0.10 -0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.34 1vfi h GLN 12 Cb 0.90 -0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.17 1vfi h GLN 12 CO 0.12 0.01 2.09 0.00 -0.95 0.00 0.00 178.83 180.10 1vfi n THR 14 N 2.32 0.90 -0.07 0.00 -1.04 -0.07 -4.02 114.28 112.29 1vfi n THR 14 Ca 0.50 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1vfi n THR 14 Cb 0.30 -1.48 -0.04 0.00 -1.82 0.00 0.00 70.33 67.28 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 -0.38 1.23 0.00 12.58 2.02 -1.84 1.43 112.91 127.95 1vfi h THR 15 Ca -0.39 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1vfi h THR 15 Cb 1.43 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1vfi h THR 15 CO -0.18 0.24 0.00 -0.81 0.37 0.00 0.00 175.52 175.14 1vfi n PRO 16 N -4.71 0.17 -0.17 6.66 -0.04 -1.26 -2.24 135.00 133.41 1vfi n PRO 16 Ca -0.04 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1vfi n PRO 16 Cb 0.20 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.43 0.00 0.00 5.08 0.24 0.15 114.58 119.62 1vfi h GLU 18 Ca 0.00 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1vfi h GLU 18 Cb 1.05 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1vfi h GLU 18 CO 0.00 -0.11 -0.63 -1.00 -1.00 0.00 0.00 179.01 176.27 1vfi h PRO 19 N -0.94 0.00 0.46 2.33 0.13 -1.84 -2.33 132.00 129.81 1vfi h PRO 19 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1vfi h PRO 19 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1vfi h PRO 19 CO 0.08 0.63 -0.22 1.25 -0.23 0.00 0.00 178.00 179.50 1vfi h LEU 20 N 0.00 -0.52 -0.22 1.56 7.12 -1.83 -2.15 115.31 119.26 1vfi h LEU 20 Ca -0.01 -0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.00 1vfi h LEU 20 Cb 1.23 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 41.44 1vfi h LEU 20 CO 0.08 -0.11 -0.14 0.74 -0.13 0.00 0.00 178.44 178.88 1vfi h THR 21 N -1.07 0.58 -0.94 1.05 2.02 -1.03 0.10 112.91 113.62 1vfi h THR 21 Ca -0.06 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.32 1vfi h THR 21 Cb 0.55 0.58 -0.11 0.00 -1.74 0.00 0.00 68.15 67.43 1vfi h THR 21 CO 0.10 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.50 1vfi h ALA 22 N 1.02 1.54 0.61 6.16 0.00 -1.48 1.35 119.26 128.46 1vfi h ALA 22 Ca 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1vfi h ALA 22 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vfi h ALA 22 CO -0.30 -0.19 -0.31 0.00 0.00 0.00 0.00 179.25 178.44 1vfi h LYS 24 N -0.85 0.38 0.15 0.00 1.57 0.33 -1.77 116.57 116.38 1vfi h LYS 24 Ca -0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1vfi h LYS 24 Cb 0.66 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1vfi h LYS 24 CO 0.13 0.25 -0.14 0.93 -0.57 0.00 0.00 179.45 180.04 1vfi h GLU 25 N 0.39 -0.27 -1.19 3.15 4.39 0.20 0.72 114.58 121.96 1vfi h GLU 25 Ca 0.18 0.02 0.44 0.00 0.34 0.00 0.00 59.36 60.35 1vfi h GLU 25 Cb 0.12 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 28.68 1vfi h GLU 25 CO -0.15 -0.18 0.72 1.17 -1.16 0.00 0.00 179.01 179.41 1vfi n LYS 26 N -3.15 -0.05 0.21 2.33 4.81 0.19 0.98 118.16 123.48 1vfi n LYS 26 Ca -0.03 1.28 -0.10 0.00 -0.87 0.00 0.00 58.31 58.58 1vfi n LYS 26 Cb 0.13 -2.42 -0.05 0.00 0.02 0.00 0.00 35.03 32.71 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 -1.00 0.58 0.08 0.00 0.00 0.70 1.24 119.26 120.85 1vfi h ALA 28 Ca -0.06 0.36 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1vfi h ALA 28 Cb 0.51 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1vfi h ALA 28 CO 0.10 -0.41 -0.35 0.93 0.00 0.00 0.00 179.25 179.52 1vfi h GLU 29 N -0.00 -0.54 -0.16 0.00 4.39 -0.61 -0.23 114.58 117.43 1vfi h GLU 29 Ca 0.44 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.17 1vfi h GLU 29 Cb 0.68 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1vfi h GLU 29 CO -0.97 -0.36 0.07 1.03 -1.16 0.00 0.00 179.01 177.63 1vfi h SER 30 N -0.56 0.19 -2.08 1.42 0.87 0.19 -2.19 113.55 111.39 1vfi h SER 30 Ca 0.04 -0.01 -0.77 0.00 -1.23 0.00 0.00 61.79 59.82 1vfi h SER 30 Cb 0.61 -0.05 -0.28 0.00 -0.44 0.00 0.00 62.40 62.24 1vfi h SER 30 CO -0.23 0.17 0.93 0.00 -0.53 0.00 0.00 176.83 177.16 1vfi h GLU 32 N 3.41 -0.06 -1.99 0.00 4.39 -0.66 -3.38 114.58 116.29 1vfi h GLU 32 Ca 0.54 0.00 -0.76 0.00 0.34 0.00 0.00 59.36 59.48 1vfi h GLU 32 Cb 0.18 0.01 -0.28 0.00 -0.10 0.00 0.00 28.75 28.56 1vfi h GLU 32 CO 1.30 -0.04 0.92 -2.37 -1.16 0.00 0.00 179.01 177.66 1vfi n THR 33 N -3.47 3.73 -3.77 1.13 5.66 -1.26 -4.98 114.28 111.32 1vfi n THR 33 Ca -0.01 -4.51 -0.37 0.00 -3.05 0.00 0.00 64.05 56.12 1vfi n THR 33 Cb 0.02 -1.27 -0.06 0.00 -1.55 0.00 0.00 70.33 67.47 1vfi n THR 33 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1vfi s SER 34 N -1.30 6.51 0.00 1.09 0.15 -1.26 -5.02 113.70 113.87 1vfi s SER 34 Ca 0.51 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1vfi s SER 34 Cb 0.41 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1vfi s SER 34 CO -0.38 0.37 0.98 0.00 1.20 0.00 0.00 173.24 175.41 1vfi n ALA 35 N 1.84 -0.05 -3.51 5.45 0.00 -1.26 -3.40 120.51 119.58 1vfi n ALA 35 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1vfi n ALA 35 Cb 0.54 0.44 -0.06 0.00 0.00 0.00 0.00 19.45 20.37 1vfi n ALA 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vfi s ASP 36 N -2.90 6.00 0.12 0.00 1.11 -1.26 -4.91 116.67 114.83 1vfi s ASP 36 Ca 0.00 -2.60 -0.20 0.00 0.18 0.00 0.00 52.55 49.94 1vfi s ASP 36 Cb 0.00 -2.05 -0.05 0.00 1.07 0.00 0.00 42.92 41.89 1vfi s ASP 36 CO 0.00 -0.53 1.75 0.50 1.18 0.00 0.00 175.17 178.07 1vfi h LYS 37 N 7.65 0.14 -0.12 8.23 3.64 -1.88 0.40 116.57 134.63 1vfi h LYS 37 Ca -0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1vfi h LYS 37 Cb 1.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 1vfi h LYS 37 CO 0.77 0.09 -0.44 0.87 -2.27 0.00 0.00 179.45 178.47 1vfi h LYS 38 N 0.14 -0.44 0.01 1.90 6.56 -1.92 0.47 116.57 123.29 1vfi h LYS 38 Ca 0.08 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.73 1vfi h LYS 38 Cb 0.05 0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 1vfi h LYS 38 CO -0.08 -0.29 -0.20 1.15 -2.06 0.00 0.00 179.45 177.96 1vfi h THR 39 N -0.46 0.52 -0.61 -0.16 2.02 -1.93 0.37 112.91 112.66 1vfi h THR 39 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1vfi h THR 39 Cb 0.54 0.52 -0.10 0.00 -1.74 0.00 0.00 68.15 67.38 1vfi h THR 39 CO -0.36 0.00 -0.56 0.00 0.37 0.00 0.00 175.52 174.97 1vfi h ARG 41 N -0.26 -0.41 -0.62 0.00 3.08 0.34 0.46 114.38 116.98 1vfi h ARG 41 Ca 0.11 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.27 1vfi h ARG 41 Cb 0.54 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.57 1vfi h ARG 41 CO -0.71 -0.27 -0.45 0.00 -1.07 0.00 0.00 179.97 177.46 1vfi h ARG 42 N -0.43 -0.20 -0.73 0.04 -0.00 0.16 1.57 114.38 114.79 1vfi h ARG 42 Ca 0.04 0.01 0.08 0.00 -0.50 0.00 0.00 59.98 59.61 1vfi h ARG 42 Cb 0.47 0.05 -0.06 0.00 0.00 0.00 0.00 29.97 30.42 1vfi h ARG 42 CO -0.16 -0.14 0.40 -0.91 0.00 0.00 0.00 179.97 179.16 1vfi h ASN 43 N -0.21 0.58 0.48 7.04 2.35 0.33 0.57 115.58 126.73 1vfi h ASN 43 Ca 0.18 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1vfi h ASN 43 Cb 0.56 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1vfi h ASN 43 CO -0.72 0.35 -0.09 0.00 -1.65 0.00 0.00 177.43 175.33 1vfi h LYS 45 N 0.00 0.73 0.00 0.00 3.64 0.74 -2.84 116.57 118.84 1vfi h LYS 45 Ca -0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1vfi h LYS 45 Cb 0.36 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1vfi h LYS 45 CO 0.01 1.12 -0.41 1.63 -2.27 0.00 0.00 179.45 179.53 1vfi n LYS 46 N -3.97 0.08 0.33 1.90 4.76 -0.45 -1.29 118.16 119.52 1vfi n LYS 46 Ca -0.05 0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.25 1vfi n LYS 46 Cb 0.65 -1.56 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 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 2.87 -0.81 0.00 7.82 0.00 -0.18 -3.41 119.26 125.54 1vfi h ALA 47 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1vfi h ALA 47 Cb 0.57 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 1vfi h ALA 47 CO 0.00 -0.93 -0.29 -3.47 0.00 0.00 0.00 179.25 174.56 1vfi n ASP 48 N -5.42 -1.71 -1.68 0.00 2.03 -1.22 -4.93 116.55 103.62 1vfi n ASP 48 Ca -0.13 -2.32 -0.01 0.00 0.52 0.00 0.00 54.79 52.85 1vfi n ASP 48 Cb 0.34 0.92 0.01 0.00 -0.72 0.00 0.00 41.12 41.67 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 0.88 0.08 -0.01 0.00 5.08 -1.74 -2.18 114.58 116.69 1vfi h GLU 50 Ca -0.37 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 57.71 1vfi h GLU 50 Cb 1.55 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1vfi h GLU 50 CO -0.07 0.97 -0.78 -1.00 -1.00 0.00 0.00 179.01 177.13 1vfi h PRO 51 N -0.75 0.12 0.23 2.33 0.13 -1.91 -2.82 132.00 129.32 1vfi h PRO 51 Ca -0.03 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1vfi h PRO 51 Cb 1.04 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1vfi h PRO 51 CO 0.03 0.83 -0.11 1.96 -0.23 0.00 0.00 178.00 180.49 1vfi h GLN 52 N 0.07 -0.29 -0.82 0.86 4.20 -1.91 -0.70 115.11 116.52 1vfi h GLN 52 Ca -0.02 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1vfi h GLN 52 Cb 1.37 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 29.15 1vfi h GLN 52 CO 0.11 0.06 0.54 0.22 -0.67 0.00 0.00 178.83 179.09 1vfi h ASP 53 N -0.72 0.50 0.60 1.46 3.58 -1.46 -0.56 116.42 119.82 1vfi h ASP 53 Ca -0.03 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1vfi h ASP 53 Cb 0.49 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.48 1vfi h ASP 53 CO 0.05 0.25 -0.29 0.11 -2.88 0.00 0.00 179.24 176.48 1vfi h LYS 54 N 0.53 -0.78 -0.88 0.28 1.57 -1.36 -1.62 116.57 114.31 1vfi h LYS 54 Ca 0.41 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.41 1vfi h LYS 54 Cb 0.81 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 33.14 1vfi h LYS 54 CO -0.16 -0.52 -0.27 0.28 -0.57 0.00 0.00 179.45 178.21 1vfi h VAL 55 N -1.07 0.09 0.11 0.50 2.07 -0.43 0.23 116.25 117.76 1vfi h VAL 55 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1vfi h VAL 55 Cb 0.62 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1vfi h VAL 55 CO 0.14 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.33 1vfi h ASP 57 N -0.58 -0.84 -0.59 0.00 1.82 0.35 0.84 116.42 117.41 1vfi h ASP 57 Ca -0.01 0.28 0.11 0.00 -0.39 0.00 0.00 57.03 57.03 1vfi h ASP 57 Cb 0.58 0.58 -0.12 0.00 0.68 0.00 0.00 39.33 41.05 1vfi h ASP 57 CO -0.21 -0.32 -0.28 0.00 -1.61 0.00 0.00 179.24 176.83 1vfi h ALA 58 N 1.95 0.09 0.17 -0.78 0.00 0.54 1.23 119.26 122.46 1vfi h ALA 58 Ca 0.47 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1vfi h ALA 58 Cb 0.74 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1vfi h ALA 58 CO -0.97 -0.60 -0.43 0.00 0.00 0.00 0.00 179.25 177.24 1vfi h ARG 60 N -0.67 0.13 0.02 0.00 3.08 -0.20 0.91 114.38 117.65 1vfi h ARG 60 Ca -0.02 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.80 1vfi h ARG 60 Cb 0.65 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1vfi h ARG 60 CO -0.20 0.09 -0.97 1.98 -1.07 0.00 0.00 179.97 179.80 1vfi h MET 61 N 0.13 0.30 0.11 0.04 4.05 0.41 -2.90 114.93 117.07 1vfi h MET 61 Ca 0.41 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1vfi h MET 61 Cb 1.41 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.32 1vfi h MET 61 CO -0.06 1.07 -0.05 -0.22 0.23 0.00 0.00 176.91 177.88 1vfi h LYS 62 N 0.16 -0.14 -0.84 0.39 1.63 0.64 -3.16 116.57 115.25 1vfi h LYS 62 Ca -0.07 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.84 1vfi h LYS 62 Cb 1.62 0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 33.15 1vfi h LYS 62 CO 0.16 0.19 -0.47 0.00 -3.45 0.00 0.00 179.45 175.88 1vfi h HIS 64 N -0.09 -0.19 -0.18 0.00 6.17 -1.62 1.43 115.15 120.67 1vfi h HIS 64 Ca 0.23 0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.37 1vfi h HIS 64 Cb 0.53 0.09 -0.06 0.00 2.52 0.00 0.00 27.41 30.50 1vfi h HIS 64 CO -0.86 -0.04 -0.22 0.87 0.71 0.00 0.00 177.93 178.39 1vfi h LYS 65 N -0.01 -0.24 -0.58 5.26 1.57 -1.09 -1.52 116.57 119.95 1vfi h LYS 65 Ca 0.01 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1vfi h LYS 65 Cb 0.05 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 1vfi h LYS 65 CO -0.09 -0.16 -0.52 0.00 -0.57 0.00 0.00 179.45 178.11 1vfi h ALA 66 N 0.77 -0.58 -0.63 3.86 0.00 0.35 0.22 119.26 123.25 1vfi h ALA 66 Ca 0.12 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1vfi h ALA 66 Cb 0.43 1.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1vfi h ALA 66 CO -0.32 -0.96 -0.36 0.00 0.00 0.00 0.00 179.25 177.60 1vfi h ARG 68 N -0.16 0.12 0.03 0.00 2.43 0.37 1.24 114.38 118.41 1vfi h ARG 68 Ca 0.23 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 59.09 1vfi h ARG 68 Cb 0.56 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1vfi h ARG 68 CO -0.71 0.08 -1.76 0.00 -1.51 0.00 0.00 179.97 176.06 1vfi h ALA 69 N 1.45 0.67 -3.00 2.80 0.00 0.30 -3.01 119.26 118.47 1vfi h ALA 69 Ca 0.70 -1.43 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1vfi h ALA 69 Cb 2.41 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.73 1vfi h ALA 69 CO -0.20 1.50 0.00 0.00 0.00 0.00 0.00 179.25 180.56 1vfi n ALA 70 N -2.66 0.00 -0.07 0.00 0.00 0.51 -4.63 120.51 113.66 1vfi n ALA 70 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1vfi n ALA 70 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.27 0.00 -4.68 0.00 5.03 0.12 -4.72 115.26 110.75 1vfi n ASN 71 Ca 0.00 0.96 -0.30 0.00 0.87 0.00 0.00 54.58 56.12 1vfi n ASN 71 Cb 0.00 -0.46 0.16 0.00 -1.02 0.00 0.00 39.78 38.45 1vfi n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vfi n ALA 73 N -4.06 0.00 0.09 0.00 0.00 -1.14 -3.67 120.51 111.73 1vfi n ALA 73 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 1vfi n ALA 73 Cb 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 1vfi n ALA 73 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vfi h SER 74 N 0.00 0.33 0.67 0.00 0.02 -1.90 -3.11 113.55 109.56 1vfi h SER 74 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1vfi h SER 74 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1vfi h SER 74 CO 0.00 1.26 0.00 -0.62 -1.14 0.00 0.00 176.83 176.33 1vfi n GLU 75 N -3.51 0.17 -3.47 3.45 4.71 -1.26 -4.21 120.64 116.52 1vfi n GLU 75 Ca -0.06 0.41 -0.23 0.00 -0.01 0.00 0.00 57.16 57.27 1vfi n GLU 75 Cb 0.99 -1.82 -0.12 0.00 -1.01 0.00 0.00 31.44 29.47 1vfi n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1vfi h PRO 77 N 8.32 -0.00 0.00 0.00 0.13 -1.73 -3.40 132.00 135.32 1vfi h PRO 77 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1vfi h PRO 77 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1vfi h PRO 77 CO 0.38 -0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.32 1vfi n LYS 78 N -2.00 0.00 -1.14 0.86 3.00 -1.26 -5.06 118.16 112.56 1vfi n LYS 78 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 1vfi n LYS 78 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.22 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 -3.28 -3.84 0.00 5.64 -0.00 -1.26 -4.05 115.22 108.43 1vfi n HIS 79 Ca 0.00 -0.88 0.00 0.00 0.46 0.00 0.00 57.72 57.30 1vfi n HIS 79 Cb 0.00 -0.91 0.00 0.00 -0.12 0.00 0.00 29.99 28.96 1vfi n HIS 79 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1vfi n GLU 80 N -3.92 0.00 0.00 1.57 -0.58 -1.26 -4.70 120.64 111.75 1vfi n GLU 80 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1vfi n GLU 80 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 1vfi n GLU 80 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1vfi n HIS 81 N 0.00 0.00 -2.41 -0.32 8.25 -1.26 -4.25 115.22 115.24 1vfi n HIS 81 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1vfi n HIS 81 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1vfi n HIS 81 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vfi n LYS 82 N 0.00 3.54 -1.16 -0.41 2.85 -1.26 -4.69 118.16 117.03 1vfi n LYS 82 Ca 0.00 -4.28 -0.31 0.00 -1.05 0.00 0.00 58.31 52.67 1vfi n LYS 82 Cb 0.00 -2.29 0.11 0.00 -0.65 0.00 0.00 35.03 32.19 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vfi s SER 83 N -2.34 4.21 0.13 -5.58 0.15 -1.26 -4.55 113.70 104.45 1vfi s SER 83 Ca 0.48 1.89 -0.31 0.00 0.70 0.00 0.00 55.95 58.70 1vfi s SER 83 Cb 0.35 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 62.05 1vfi s SER 83 CO -0.25 -2.23 1.57 -0.78 1.20 0.00 0.00 173.24 172.75 1vfi h ASP 84 N -1.27 -1.55 -0.46 5.45 1.82 -1.96 1.23 116.42 119.69 1vfi h ASP 84 Ca -0.43 0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 1vfi h ASP 84 Cb 1.24 0.62 -0.02 0.00 0.68 0.00 0.00 39.33 41.85 1vfi h ASP 84 CO 0.50 -0.45 0.23 0.00 -1.61 0.00 0.00 179.24 177.90 1vfi h THR 85 N -0.53 1.18 0.14 2.25 1.03 -1.92 -0.38 112.91 114.68 1vfi h THR 85 Ca 0.06 -0.48 -0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1vfi h THR 85 Cb 0.66 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 1vfi h THR 85 CO -0.44 0.19 -0.18 0.00 -0.01 0.00 0.00 175.52 175.08 1vfi h ARG 87 N -0.33 0.22 -0.82 0.00 3.08 0.15 1.44 114.38 118.13 1vfi h ARG 87 Ca -0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1vfi h ARG 87 Cb 0.29 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1vfi h ARG 87 CO -0.04 0.15 0.41 0.00 -1.07 0.00 0.00 179.97 179.41 1vfi h ALA 88 N 1.79 1.18 0.31 0.04 0.00 -0.30 1.46 119.26 123.74 1vfi h ALA 88 Ca 0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1vfi h ALA 88 Cb 1.17 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1vfi h ALA 88 CO -0.65 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.09 1vfi h MET 90 N -0.96 0.00 -0.61 0.00 2.07 0.16 0.59 114.93 116.18 1vfi h MET 90 Ca -0.04 0.00 0.12 0.00 -2.07 0.00 0.00 59.70 57.71 1vfi h MET 90 Cb 0.50 0.00 -0.10 0.00 -1.87 0.00 0.00 31.60 30.13 1vfi h MET 90 CO 0.07 0.00 0.03 -0.22 1.07 0.00 0.00 176.91 177.86 1vfi h LYS 91 N 0.00 0.14 0.00 1.72 1.63 0.21 0.11 116.57 120.38 1vfi h LYS 91 Ca 0.03 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1vfi h LYS 91 Cb 0.14 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1vfi h LYS 91 CO -0.00 0.09 -1.20 2.41 -3.45 0.00 0.00 179.45 177.31 1vfi n THR 92 N -5.24 1.49 -0.23 1.00 -1.04 -0.74 -4.39 114.28 105.12 1vfi n THR 92 Ca 0.09 0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 62.11 1vfi n THR 92 Cb 0.35 -2.26 -0.00 0.00 -1.82 0.00 0.00 70.33 66.59 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 -0.97 -1.30 -2.97 8.00 2.35 0.06 -2.47 115.58 118.27 1vfi h ASN 93 Ca -0.10 0.25 -0.78 0.00 -0.55 0.00 0.00 56.30 55.12 1vfi h ASN 93 Cb 1.06 0.63 -0.24 0.00 0.05 0.00 0.00 38.32 39.83 1vfi h ASN 93 CO -0.06 -0.31 0.84 0.00 -1.65 0.00 0.00 177.43 176.25