#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 -0.15 -0.43 4.38 0.01 -1.26 -5.11 113.70 111.14 1vfi s SER 2 Ca 0.00 0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.39 1vfi s SER 2 Cb 0.00 0.14 0.19 0.00 0.21 0.00 0.00 66.02 66.56 1vfi s SER 2 CO 0.00 -0.20 0.41 1.21 0.41 0.00 0.00 173.24 175.07 1vfi n GLU 3 N 0.22 0.50 0.06 12.44 2.13 -1.26 -4.91 120.64 129.82 1vfi n GLU 3 Ca -0.02 -3.32 0.00 0.00 0.66 0.00 0.00 57.16 54.48 1vfi n GLU 3 Cb 0.58 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.67 1vfi n GLU 3 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1vfi n PHE 4 N 2.37 -0.82 -0.76 4.31 3.72 -1.26 -5.10 117.46 119.92 1vfi n PHE 4 Ca 0.27 0.15 -0.32 0.00 -0.05 0.00 0.00 57.45 57.49 1vfi n PHE 4 Cb 0.48 0.34 0.14 0.00 -0.94 0.00 0.00 39.48 39.50 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 -3.09 -2.59 -1.76 4.37 0.00 -1.26 -4.82 120.51 111.36 1vfi n ALA 5 Ca 0.00 -0.70 -0.40 0.00 0.00 0.00 0.00 53.44 52.35 1vfi n ALA 5 Cb 0.09 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 17.68 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 -3.75 4.58 0.00 0.00 0.04 -1.26 -4.96 135.00 129.64 1vfi s PRO 6 Ca 0.58 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1vfi s PRO 6 Cb -0.20 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1vfi s PRO 6 CO 0.66 0.18 0.66 0.28 0.04 0.00 0.00 177.00 178.82 1vfi n VAL 7 N 0.99 0.00 -1.41 -0.36 0.31 -1.25 -4.86 118.33 111.76 1vfi n VAL 7 Ca -0.00 1.13 -0.14 0.00 -0.01 0.00 0.00 64.34 65.31 1vfi n VAL 7 Cb 0.46 -2.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 1vfi n VAL 7 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vfi n ASP 8 N -1.43 -5.10 -3.79 4.52 8.00 -1.26 -3.09 116.55 114.40 1vfi n ASP 8 Ca 0.00 0.35 -0.28 0.00 0.71 0.00 0.00 54.79 55.57 1vfi n ASP 8 Cb 0.00 -3.84 0.01 0.00 -0.02 0.00 0.00 41.12 37.27 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 -3.22 0.00 0.00 0.00 0.00 -1.18 -3.93 118.16 109.84 1vfi n LYS 10 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.16 1vfi n LYS 10 Cb 0.64 0.00 0.39 0.00 0.00 0.00 0.00 35.03 36.06 1vfi n LYS 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vfi n GLY 11 N 2.74 -0.88 0.10 3.14 0.00 -1.26 -2.17 105.19 106.86 1vfi n GLY 11 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1vfi n GLY 11 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vfi n GLN 12 N -1.35 0.67 -2.14 1.61 -0.06 -1.26 -4.33 117.38 110.52 1vfi n GLN 12 Ca 0.07 0.16 -0.38 0.00 -2.00 0.00 0.00 57.00 54.85 1vfi n GLN 12 Cb 0.15 -1.66 0.01 0.00 -4.06 0.00 0.00 30.24 24.67 1vfi n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vfi n THR 14 N 0.42 1.50 -0.03 0.00 -1.04 -1.25 -3.03 114.28 110.85 1vfi n THR 14 Ca 0.53 -0.82 -0.15 0.00 -2.04 0.00 0.00 64.05 61.56 1vfi n THR 14 Cb 0.30 -0.76 -0.10 0.00 -1.82 0.00 0.00 70.33 67.94 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 0.00 1.46 0.00 12.58 2.02 -1.93 0.48 112.91 127.53 1vfi h THR 15 Ca -0.43 -1.78 -0.03 0.00 0.77 0.00 0.00 66.41 64.94 1vfi h THR 15 Cb 2.13 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 71.02 1vfi h THR 15 CO 0.05 0.50 -0.12 1.55 0.37 0.00 0.00 175.52 177.87 1vfi h PRO 16 N -0.29 0.00 -0.33 6.66 0.13 -1.89 -2.73 132.00 133.55 1vfi h PRO 16 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1vfi h PRO 16 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1vfi h PRO 16 CO 0.06 0.12 0.00 0.00 -0.23 0.00 0.00 178.00 177.95 1vfi h GLU 18 N 2.07 -0.03 -0.02 0.00 4.81 0.31 -1.88 114.58 119.84 1vfi h GLU 18 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1vfi h GLU 18 Cb 1.14 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1vfi h GLU 18 CO 0.13 0.53 -0.82 -1.00 -0.73 0.00 0.00 179.01 177.12 1vfi h PRO 19 N -0.60 0.27 0.84 0.92 0.13 -1.80 -2.71 132.00 129.05 1vfi h PRO 19 Ca -0.00 -0.26 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1vfi h PRO 19 Cb 0.57 0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.78 1vfi h PRO 19 CO 0.00 0.95 -0.41 1.25 -0.23 0.00 0.00 178.00 179.57 1vfi h LEU 20 N 0.16 -0.96 -0.12 1.56 5.85 -1.79 -1.24 115.31 118.78 1vfi h LEU 20 Ca -0.04 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1vfi h LEU 20 Cb 1.43 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 1vfi h LEU 20 CO 0.13 -0.66 -0.32 0.74 -0.34 0.00 0.00 178.44 178.00 1vfi h THR 21 N -1.19 0.30 -0.78 1.05 2.02 -1.42 0.39 112.91 113.28 1vfi h THR 21 Ca -0.12 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.29 1vfi h THR 21 Cb 0.87 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1vfi h THR 21 CO 0.19 0.00 0.66 0.00 0.37 0.00 0.00 175.52 176.74 1vfi h ALA 22 N 0.42 2.64 -0.03 6.16 0.00 -1.43 0.60 119.26 127.61 1vfi h ALA 22 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1vfi h ALA 22 Cb 0.54 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1vfi h ALA 22 CO -0.34 -1.06 -0.02 0.00 0.00 0.00 0.00 179.25 177.84 1vfi h LYS 24 N -0.35 0.02 0.06 0.00 1.57 0.93 -0.44 116.57 118.35 1vfi h LYS 24 Ca 0.01 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vfi h LYS 24 Cb 0.45 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1vfi h LYS 24 CO 0.00 0.01 -0.06 0.93 -0.57 0.00 0.00 179.45 179.77 1vfi h GLU 25 N 0.02 -0.11 -1.00 3.15 4.39 -0.80 1.46 114.58 121.68 1vfi h GLU 25 Ca 0.01 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.93 1vfi h GLU 25 Cb 0.01 0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 28.50 1vfi h GLU 25 CO -0.02 -0.07 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.34 1vfi h LYS 26 N -0.11 0.00 0.17 2.33 3.64 -0.96 1.17 116.57 122.81 1vfi h LYS 26 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1vfi h LYS 26 Cb 0.10 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1vfi h LYS 26 CO -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 179.45 177.09 1vfi h ALA 28 N 0.54 1.02 0.71 0.00 0.00 1.02 1.14 119.26 123.70 1vfi h ALA 28 Ca -0.02 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1vfi h ALA 28 Cb 0.22 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1vfi h ALA 28 CO 0.04 -0.34 -0.34 0.93 0.00 0.00 0.00 179.25 179.53 1vfi h GLU 29 N 0.28 -0.91 -0.15 0.00 4.39 0.82 -2.30 114.58 116.71 1vfi h GLU 29 Ca 0.44 0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.25 1vfi h GLU 29 Cb 0.77 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1vfi h GLU 29 CO -0.53 -0.59 0.17 1.03 -1.16 0.00 0.00 179.01 177.93 1vfi h SER 30 N -1.05 0.00 -1.77 1.42 0.87 0.32 -0.30 113.55 113.03 1vfi h SER 30 Ca -0.10 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.74 1vfi h SER 30 Cb 0.75 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.41 1vfi h SER 30 CO 0.16 0.00 0.74 0.00 -0.53 0.00 0.00 176.83 177.20 1vfi h GLU 32 N 2.79 0.00 0.00 0.00 4.39 -0.77 -3.38 114.58 117.62 1vfi h GLU 32 Ca 0.53 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.15 1vfi h GLU 32 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1vfi h GLU 32 CO 1.36 0.18 -0.40 1.79 -1.16 0.00 0.00 179.01 180.77 1vfi h THR 33 N -1.00 0.90 -1.51 1.13 1.35 -1.82 -3.45 112.91 108.51 1vfi h THR 33 Ca -0.04 -1.64 -0.72 0.00 -0.55 0.00 0.00 66.41 63.45 1vfi h THR 33 Cb 0.49 2.01 0.04 0.00 -1.73 0.00 0.00 68.15 68.96 1vfi h THR 33 CO -0.03 0.39 0.53 -1.20 -0.25 0.00 0.00 175.52 174.97 1vfi n SER 34 N -3.49 1.59 0.14 5.36 7.64 -1.26 -4.88 113.62 118.72 1vfi n SER 34 Ca 0.00 1.12 -0.06 0.00 1.01 0.00 0.00 58.87 60.94 1vfi n SER 34 Cb 0.55 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 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 5.07 -1.09 -0.19 -0.43 0.00 -1.92 -3.26 119.26 117.43 1vfi h ALA 35 Ca -0.48 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.77 1vfi h ALA 35 Cb 1.35 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1vfi h ALA 35 CO 0.82 -1.07 2.10 -0.25 0.00 0.00 0.00 179.25 180.85 1vfi n ASP 36 N -2.99 3.04 0.20 0.00 8.00 -1.26 -4.69 116.55 118.85 1vfi n ASP 36 Ca -0.05 -2.73 -0.15 0.00 0.71 0.00 0.00 54.79 52.58 1vfi n ASP 36 Cb 0.14 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 39.78 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 8.06 -0.57 -0.45 -1.24 1.57 -1.87 0.30 116.57 122.36 1vfi h LYS 37 Ca 0.39 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1vfi h LYS 37 Cb 0.75 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1vfi h LYS 37 CO 1.73 -0.38 -0.43 -0.22 -0.57 0.00 0.00 179.45 179.58 1vfi h LYS 38 N -0.59 -0.20 0.25 3.15 1.63 -1.93 1.36 116.57 120.25 1vfi h LYS 38 Ca -0.02 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1vfi h LYS 38 Cb 0.52 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 1vfi h LYS 38 CO -0.03 -0.13 -0.42 1.15 -3.45 0.00 0.00 179.45 176.57 1vfi h THR 39 N -0.20 0.00 -0.67 1.00 2.02 -1.91 0.56 112.91 113.70 1vfi h THR 39 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1vfi h THR 39 Cb 0.40 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.71 1vfi h THR 39 CO -0.53 0.00 -0.55 0.00 0.37 0.00 0.00 175.52 174.81 1vfi h ARG 41 N -0.21 -0.61 -1.01 0.00 3.08 0.22 0.16 114.38 116.01 1vfi h ARG 41 Ca 0.13 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.48 1vfi h ARG 41 Cb 0.52 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 1vfi h ARG 41 CO -0.75 -0.40 0.67 0.00 -1.07 0.00 0.00 179.97 178.41 1vfi h ARG 42 N -0.63 0.30 0.00 0.04 3.08 0.17 1.45 114.38 118.79 1vfi h ARG 42 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1vfi h ARG 42 Cb 0.69 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1vfi h ARG 42 CO -0.36 0.20 -0.14 -0.97 -1.07 0.00 0.00 179.97 177.63 1vfi h ASN 43 N 0.31 0.00 -0.91 7.04 -0.73 0.37 -2.43 115.58 119.23 1vfi h ASN 43 Ca 0.54 0.00 0.25 0.00 1.87 0.00 0.00 56.30 58.96 1vfi h ASN 43 Cb 1.53 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.96 1vfi h ASN 43 CO -0.20 0.14 0.11 0.00 -0.37 0.00 0.00 177.43 177.11 1vfi h LYS 45 N 0.09 0.60 0.00 0.00 3.64 -1.55 0.22 116.57 119.57 1vfi h LYS 45 Ca 0.56 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1vfi h LYS 45 Cb 1.14 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1vfi h LYS 45 CO -0.79 0.40 0.00 1.63 -2.27 0.00 0.00 179.45 178.42 1vfi n LYS 46 N -4.78 0.19 0.08 1.90 4.76 0.50 -2.34 118.16 118.47 1vfi n LYS 46 Ca 0.03 0.11 -0.04 0.00 -2.87 0.00 0.00 58.31 55.54 1vfi n LYS 46 Cb 0.05 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 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 2.88 -0.32 0.00 7.82 0.00 0.43 -3.46 119.26 126.60 1vfi h ALA 47 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vfi h ALA 47 Cb 0.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vfi h ALA 47 CO 0.00 -0.30 0.00 -0.25 0.00 0.00 0.00 179.25 178.70 1vfi n ASP 48 N -4.57 0.00 -0.63 0.00 8.00 -0.98 -4.98 116.55 113.39 1vfi n ASP 48 Ca -0.04 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.53 1vfi n ASP 48 Cb 0.11 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.37 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi h GLU 50 N 0.77 0.12 -0.03 0.00 5.08 -1.87 -2.04 114.58 116.61 1vfi h GLU 50 Ca -0.03 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 58.00 1vfi h GLU 50 Cb 1.15 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1vfi h GLU 50 CO 0.01 0.85 -0.86 -1.00 -1.00 0.00 0.00 179.01 177.02 1vfi h PRO 51 N -0.58 0.41 0.05 2.33 0.13 -1.92 -2.79 132.00 129.64 1vfi h PRO 51 Ca -0.02 -0.40 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1vfi h PRO 51 Cb 0.90 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1vfi h PRO 51 CO 0.03 1.06 -0.02 1.96 -0.23 0.00 0.00 178.00 180.80 1vfi h GLN 52 N 0.25 -0.07 -0.66 0.86 4.20 -1.85 -0.78 115.11 117.06 1vfi h GLN 52 Ca -0.06 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1vfi h GLN 52 Cb 1.47 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.23 1vfi h GLN 52 CO 0.15 0.13 0.44 0.22 -0.67 0.00 0.00 178.83 179.09 1vfi h ASP 53 N -0.25 0.57 0.72 1.46 3.58 -1.43 -1.94 116.42 119.13 1vfi h ASP 53 Ca -0.01 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1vfi h ASP 53 Cb 0.23 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.17 1vfi h ASP 53 CO 0.01 0.37 -0.34 0.11 -2.88 0.00 0.00 179.24 176.50 1vfi h LYS 54 N 0.65 -0.93 -1.48 0.28 1.57 -1.17 0.11 116.57 115.59 1vfi h LYS 54 Ca 0.29 0.06 0.44 0.00 -1.87 0.00 0.00 60.65 59.57 1vfi h LYS 54 Cb 0.30 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1vfi h LYS 54 CO -0.09 -0.62 1.04 0.28 -0.57 0.00 0.00 179.45 179.49 1vfi h VAL 55 N -1.10 0.21 -0.00 0.50 2.07 -0.74 1.34 116.25 118.54 1vfi h VAL 55 Ca -0.10 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1vfi h VAL 55 Cb 0.74 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1vfi h VAL 55 CO 0.16 0.01 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 1vfi h ASP 57 N -0.66 -1.24 -0.98 0.00 1.82 0.42 -0.43 116.42 115.35 1vfi h ASP 57 Ca -0.00 0.11 0.24 0.00 -0.39 0.00 0.00 57.03 56.99 1vfi h ASP 57 Cb 0.67 0.43 -0.18 0.00 0.68 0.00 0.00 39.33 40.92 1vfi h ASP 57 CO 0.00 -0.52 -0.09 0.00 -1.61 0.00 0.00 179.24 177.02 1vfi h ALA 58 N -0.90 0.94 0.23 -0.78 0.00 -0.74 0.99 119.26 119.01 1vfi h ALA 58 Ca -0.03 0.36 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1vfi h ALA 58 Cb 0.69 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1vfi h ALA 58 CO -0.14 -0.49 -0.39 0.00 0.00 0.00 0.00 179.25 178.23 1vfi h ARG 60 N -0.70 0.03 -0.08 0.00 3.08 0.21 0.60 114.38 117.51 1vfi h ARG 60 Ca 0.00 -0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1vfi h ARG 60 Cb 0.68 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.74 1vfi h ARG 60 CO -0.16 0.02 -0.91 1.98 -1.07 0.00 0.00 179.97 179.82 1vfi h MET 61 N 0.03 0.76 -0.20 0.04 4.05 0.29 -2.97 114.93 116.91 1vfi h MET 61 Ca 0.16 -0.71 -0.20 0.00 -0.28 0.00 0.00 59.70 58.67 1vfi h MET 61 Cb 0.60 0.18 0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1vfi h MET 61 CO -0.01 1.30 -0.64 0.87 0.23 0.00 0.00 176.91 178.66 1vfi h LYS 62 N 0.47 0.80 -0.65 0.39 1.57 0.27 -3.10 116.57 116.32 1vfi h LYS 62 Ca -0.09 -0.58 0.13 0.00 -1.87 0.00 0.00 60.65 58.23 1vfi h LYS 62 Cb 1.56 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.87 1vfi h LYS 62 CO 0.18 1.20 0.13 0.00 -0.57 0.00 0.00 179.45 180.40 1vfi h HIS 64 N 0.25 -1.01 -0.10 0.00 -0.00 -1.44 1.64 115.15 114.49 1vfi h HIS 64 Ca 0.35 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.78 1vfi h HIS 64 Cb 0.55 0.44 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1vfi h HIS 64 CO -0.27 -0.36 0.12 0.87 -0.00 0.00 0.00 177.93 178.29 1vfi h LYS 65 N -0.42 0.00 0.19 5.26 1.57 -1.32 0.51 116.57 122.37 1vfi h LYS 65 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1vfi h LYS 65 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1vfi h LYS 65 CO -0.24 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.55 1vfi h ALA 66 N 1.86 -0.26 0.00 3.86 0.00 0.40 -2.55 119.26 122.56 1vfi h ALA 66 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1vfi h ALA 66 Cb 0.29 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vfi h ALA 66 CO -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 179.25 178.81 1vfi h ARG 68 N 0.00 0.20 0.02 0.00 1.12 0.10 -2.44 114.38 113.37 1vfi h ARG 68 Ca -0.00 -0.08 -0.39 0.00 -1.11 0.00 0.00 59.98 58.40 1vfi h ARG 68 Cb 0.33 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.21 1vfi h ARG 68 CO 0.01 0.52 -2.41 0.00 -3.11 0.00 0.00 179.97 174.98 1vfi n ALA 69 N -2.48 1.36 -1.00 2.80 0.00 -0.41 -4.00 120.51 116.79 1vfi n ALA 69 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1vfi n ALA 69 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.23 0.00 -0.16 0.00 0.00 0.40 -3.10 120.51 114.43 1vfi n ALA 70 Ca -0.44 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1vfi n ALA 70 Cb 1.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.88 -0.88 0.00 2.35 -1.68 -2.68 115.58 111.82 1vfi h ASN 71 Ca 0.00 0.13 -0.62 0.00 -0.55 0.00 0.00 56.30 55.26 1vfi h ASN 71 Cb 0.00 0.38 -0.08 0.00 0.05 0.00 0.00 38.32 38.67 1vfi h ASN 71 CO 0.00 -0.11 1.91 0.00 -1.65 0.00 0.00 177.43 177.58 1vfi n ALA 73 N 9.19 3.97 -0.03 0.00 0.00 -1.01 -3.54 120.51 129.10 1vfi n ALA 73 Ca 0.45 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1vfi n ALA 73 Cb 0.47 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1vfi n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vfi n SER 74 N -1.69 1.35 0.27 0.00 7.64 -1.26 -4.23 113.62 115.70 1vfi n SER 74 Ca 0.03 0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.09 1vfi n SER 74 Cb 0.38 -0.16 0.77 0.00 -1.01 0.00 0.00 64.21 64.19 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 -0.16 0.00 -2.03 1.43 3.07 -1.92 -3.33 114.58 111.64 1vfi h GLU 75 Ca -0.15 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.27 1vfi h GLU 75 Cb 1.16 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.75 1vfi h GLU 75 CO -0.08 0.09 -0.78 0.00 -1.40 0.00 0.00 179.01 176.85 1vfi n PRO 77 N 3.57 0.00 -2.72 0.00 -0.04 -1.25 -4.39 135.00 130.17 1vfi n PRO 77 Ca 0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1vfi n PRO 77 Cb 0.46 -0.16 0.08 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.03 1.35 -1.82 0.54 4.81 -1.26 -4.90 118.16 116.86 1vfi n LYS 78 Ca 0.00 -2.51 -0.00 0.00 -0.87 0.00 0.00 58.31 54.93 1vfi n LYS 78 Cb 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1vfi n LYS 78 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1vfi n HIS 79 N -0.66 -0.59 -2.57 5.64 -0.00 -1.26 -5.10 115.22 110.67 1vfi n HIS 79 Ca -0.00 -0.15 -0.02 0.00 0.46 0.00 0.00 57.72 58.00 1vfi n HIS 79 Cb 0.84 0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.76 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 -0.10 -3.71 0.15 1.57 1.02 -1.26 -4.89 120.64 113.42 1vfi n GLU 80 Ca -0.00 2.91 -0.00 0.00 -0.02 0.00 0.00 57.16 60.04 1vfi n GLU 80 Cb 0.08 -4.93 0.22 0.00 -0.02 0.00 0.00 31.44 26.78 1vfi n GLU 80 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1vfi h HIS 81 N 3.25 0.03 -2.76 -0.32 2.07 -2.02 -3.36 115.15 112.02 1vfi h HIS 81 Ca -0.24 -0.01 -0.60 0.00 -2.85 0.00 0.00 60.37 56.67 1vfi h HIS 81 Cb 0.54 -0.01 -0.40 0.00 2.57 0.00 0.00 27.41 30.12 1vfi h HIS 81 CO 0.01 0.56 -0.80 -1.59 -3.07 0.00 0.00 177.93 173.03 1vfi s LYS 82 N -3.80 1.06 -0.25 5.12 0.00 -1.26 -5.05 119.74 115.56 1vfi s LYS 82 Ca -0.02 -1.88 -0.06 0.00 0.00 0.00 0.00 55.97 54.01 1vfi s LYS 82 Cb 0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 37.83 36.03 1vfi s LYS 82 CO 0.75 -1.22 0.04 0.45 0.00 0.00 0.00 175.35 175.37 1vfi s SER 83 N 0.43 4.88 0.10 0.03 0.15 -1.26 -5.00 113.70 113.03 1vfi s SER 83 Ca 0.21 -0.37 -0.30 0.00 0.70 0.00 0.00 55.95 56.18 1vfi s SER 83 Cb -0.18 -1.86 -0.12 0.00 -1.71 0.00 0.00 66.02 62.15 1vfi s SER 83 CO -0.04 -0.06 1.49 -0.78 1.20 0.00 0.00 173.24 175.05 1vfi h ASP 84 N 8.20 -1.53 -0.95 5.45 3.58 -1.98 0.98 116.42 130.18 1vfi h ASP 84 Ca -0.38 0.18 0.13 0.00 0.42 0.00 0.00 57.03 57.38 1vfi h ASP 84 Cb 1.16 0.59 -0.08 0.00 1.72 0.00 0.00 39.33 42.72 1vfi h ASP 84 CO 0.59 -0.44 0.61 0.00 -2.88 0.00 0.00 179.24 177.12 1vfi h THR 85 N -0.54 0.88 0.10 2.25 1.03 -1.94 -0.48 112.91 114.21 1vfi h THR 85 Ca 0.02 -0.30 -0.00 0.00 -0.01 0.00 0.00 66.41 66.12 1vfi h THR 85 Cb 0.61 -0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 1vfi h THR 85 CO -0.37 0.16 -0.05 0.00 -0.01 0.00 0.00 175.52 175.25 1vfi n ARG 87 N -2.39 -0.05 0.03 0.00 1.74 0.32 0.71 116.66 117.02 1vfi n ARG 87 Ca -0.02 1.30 -0.10 0.00 -0.77 0.00 0.00 57.85 58.26 1vfi n ARG 87 Cb 0.05 -2.45 -0.07 0.00 -1.02 0.00 0.00 32.46 28.97 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 1.77 -0.17 -0.93 7.54 0.00 -0.81 -1.00 119.26 125.66 1vfi h ALA 88 Ca 0.85 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 55.80 1vfi h ALA 88 Cb 2.52 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 20.21 1vfi h ALA 88 CO -0.61 -0.23 0.16 0.00 0.00 0.00 0.00 179.25 178.57 1vfi h MET 90 N 0.09 -0.77 -1.23 0.00 2.07 -0.64 -2.76 114.93 111.69 1vfi h MET 90 Ca 0.60 0.05 0.35 0.00 -2.07 0.00 0.00 59.70 58.63 1vfi h MET 90 Cb 1.26 0.18 -0.06 0.00 -1.87 0.00 0.00 31.60 31.11 1vfi h MET 90 CO -0.78 -0.50 0.88 -0.22 1.07 0.00 0.00 176.91 177.36 1vfi h LYS 91 N -1.18 0.03 0.69 1.72 3.64 0.42 1.15 116.57 123.05 1vfi h LYS 91 Ca -0.08 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1vfi h LYS 91 Cb 0.64 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1vfi h LYS 91 CO 0.13 0.02 -0.33 1.15 -2.27 0.00 0.00 179.45 178.15 1vfi h THR 92 N 0.04 0.22 0.00 1.00 2.02 0.79 -3.41 112.91 113.57 1vfi h THR 92 Ca 0.60 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1vfi h THR 92 Cb 2.31 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1vfi h THR 92 CO -0.04 0.02 -0.09 0.59 0.37 0.00 0.00 175.52 176.37 1vfi n ASN 93 N -5.44 0.97 -3.66 4.18 3.02 0.40 -4.81 115.26 109.93 1vfi n ASN 93 Ca -0.13 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1vfi n ASN 93 Cb 0.39 -0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64