#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 -0.09 -0.54 9.51 0.01 -1.26 -5.12 113.70 116.21 1vfi s SER 2 Ca 0.00 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.68 1vfi s SER 2 Cb 0.00 0.47 0.14 0.00 0.21 0.00 0.00 66.02 66.84 1vfi s SER 2 CO 0.00 -0.91 0.31 -1.61 0.41 0.00 0.00 173.24 171.44 1vfi s GLU 3 N -3.89 1.90 0.02 12.44 2.02 -1.26 -4.74 118.70 125.18 1vfi s GLU 3 Ca 0.10 -2.64 0.00 0.00 0.02 0.00 0.00 54.97 52.46 1vfi s GLU 3 Cb 0.02 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1vfi s GLU 3 CO -0.05 -1.17 0.00 0.34 0.02 0.00 0.00 175.26 174.40 1vfi n PHE 4 N 2.93 -0.95 -0.86 1.61 -0.00 -1.26 -5.15 117.46 113.78 1vfi n PHE 4 Ca 0.10 0.06 -0.35 0.00 -0.00 0.00 0.00 57.45 57.26 1vfi n PHE 4 Cb 0.34 0.31 0.09 0.00 -0.00 0.00 0.00 39.48 40.22 1vfi n PHE 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vfi n ALA 5 N -2.29 -4.77 -2.42 3.13 0.00 -1.26 -4.82 120.51 108.08 1vfi n ALA 5 Ca 0.00 -1.13 -0.43 0.00 0.00 0.00 0.00 53.44 51.88 1vfi n ALA 5 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.71 4.29 0.72 0.00 0.04 -1.25 -5.00 135.00 131.08 1vfi s PRO 6 Ca 0.46 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 1vfi s PRO 6 Cb -0.06 -3.67 0.02 0.00 0.04 0.00 0.00 34.50 30.83 1vfi s PRO 6 CO 0.69 -0.59 1.07 0.08 0.04 0.00 0.00 177.00 178.30 1vfi s VAL 7 N 2.88 3.72 0.02 -0.36 1.01 -1.25 -4.94 120.40 121.48 1vfi s VAL 7 Ca 0.56 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 1vfi s VAL 7 Cb -0.24 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1vfi s VAL 7 CO 0.19 -0.73 -0.02 1.51 0.00 0.00 0.00 175.10 176.05 1vfi s ASP 8 N -4.00 0.21 0.00 3.32 -4.77 -1.26 -3.47 116.67 106.69 1vfi s ASP 8 Ca 0.58 -0.43 0.00 0.00 -3.30 0.00 0.00 52.55 49.40 1vfi s ASP 8 Cb -0.13 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.79 1vfi s ASP 8 CO 0.54 -0.27 0.00 0.00 0.70 0.00 0.00 175.17 176.14 1vfi n LYS 10 N 0.00 0.00 0.28 0.00 4.81 -1.26 -2.81 118.16 119.18 1vfi n LYS 10 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1vfi n LYS 10 Cb 0.00 0.00 0.78 0.00 0.02 0.00 0.00 35.03 35.83 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 0.00 -5.10 3.14 0.00 -2.06 -2.81 103.07 96.25 1vfi h GLY 11 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1vfi h GLY 11 CO 0.00 0.00 1.12 -0.18 0.00 0.00 0.00 176.54 177.48 1vfi n GLN 12 N -3.98 3.39 -2.76 4.80 -0.06 -1.12 -4.35 117.38 113.30 1vfi n GLN 12 Ca -0.03 -3.10 -0.10 0.00 -2.00 0.00 0.00 57.00 51.78 1vfi n GLN 12 Cb 0.13 -2.33 0.08 0.00 -4.06 0.00 0.00 30.24 24.06 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 0.46 1.53 -0.11 0.00 -1.04 -1.26 -3.60 114.28 110.25 1vfi n THR 14 Ca 0.07 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.05 61.61 1vfi n THR 14 Cb 0.69 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 67.41 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 -0.81 1.00 0.00 12.58 2.02 -1.95 1.46 112.91 127.20 1vfi h THR 15 Ca -0.67 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1vfi h THR 15 Cb 1.66 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1vfi h THR 15 CO -0.35 0.07 0.00 -0.81 0.37 0.00 0.00 175.52 174.80 1vfi n PRO 16 N -4.92 0.05 -0.53 6.66 -0.04 -1.26 -2.42 135.00 132.53 1vfi n PRO 16 Ca 0.01 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 1vfi n PRO 16 Cb 0.08 -1.57 0.16 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.64 -0.23 0.00 0.00 5.08 0.23 -1.92 114.58 118.38 1vfi h GLU 18 Ca -0.03 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1vfi h GLU 18 Cb 1.12 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1vfi h GLU 18 CO 0.01 0.04 -0.63 -1.00 -1.00 0.00 0.00 179.01 176.42 1vfi h PRO 19 N -1.01 0.00 0.40 2.33 0.13 -1.84 -2.52 132.00 129.49 1vfi h PRO 19 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1vfi h PRO 19 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1vfi h PRO 19 CO 0.04 0.63 -0.19 1.25 -0.23 0.00 0.00 178.00 179.50 1vfi h LEU 20 N 0.00 -0.46 -0.29 1.56 7.12 -1.84 -1.89 115.31 119.52 1vfi h LEU 20 Ca -0.01 -0.12 0.06 0.00 0.13 0.00 0.00 57.88 57.94 1vfi h LEU 20 Cb 1.24 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 41.43 1vfi h LEU 20 CO 0.08 -0.06 -0.09 0.74 -0.13 0.00 0.00 178.44 178.98 1vfi h THR 21 N -0.94 0.66 -0.76 1.05 2.02 -1.41 -0.48 112.91 113.05 1vfi h THR 21 Ca -0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.27 1vfi h THR 21 Cb 0.55 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 67.53 1vfi h THR 21 CO 0.09 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.28 1vfi h ALA 22 N 1.24 1.07 -0.50 6.16 0.00 -1.48 0.69 119.26 126.44 1vfi h ALA 22 Ca 0.14 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1vfi h ALA 22 Cb 0.25 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1vfi h ALA 22 CO -0.31 -0.22 0.23 0.00 0.00 0.00 0.00 179.25 178.94 1vfi h LYS 24 N 0.45 0.23 0.13 0.00 1.57 0.67 -2.33 116.57 117.29 1vfi h LYS 24 Ca 0.23 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1vfi h LYS 24 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1vfi h LYS 24 CO -0.18 0.30 -0.19 0.93 -0.57 0.00 0.00 179.45 179.74 1vfi h GLU 25 N 0.11 -0.32 -0.97 3.15 4.39 0.11 0.45 114.58 121.49 1vfi h GLU 25 Ca 0.05 0.02 0.34 0.00 0.34 0.00 0.00 59.36 60.12 1vfi h GLU 25 Cb 0.15 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 28.70 1vfi h GLU 25 CO -0.01 -0.21 0.28 1.17 -1.16 0.00 0.00 179.01 179.08 1vfi n LYS 26 N -3.49 -0.07 0.44 2.33 4.81 0.85 0.71 118.16 123.74 1vfi n LYS 26 Ca -0.04 1.40 -0.17 0.00 -0.87 0.00 0.00 58.31 58.63 1vfi n LYS 26 Cb 0.16 -2.37 -0.08 0.00 0.02 0.00 0.00 35.03 32.76 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 -1.30 -0.11 -0.97 0.00 0.00 0.50 1.48 119.26 118.86 1vfi h ALA 28 Ca -0.12 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1vfi h ALA 28 Cb 0.87 1.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 1vfi h ALA 28 CO 0.19 -0.75 0.61 0.93 0.00 0.00 0.00 179.25 180.23 1vfi h GLU 29 N -0.06 0.75 -0.79 0.00 4.39 -0.53 0.88 114.58 119.23 1vfi h GLU 29 Ca 0.26 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1vfi h GLU 29 Cb 0.55 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1vfi h GLU 29 CO -0.90 0.50 0.01 0.43 -1.16 0.00 0.00 179.01 177.89 1vfi n SER 30 N -4.65 3.47 -2.73 1.42 7.64 0.47 -3.64 113.62 115.60 1vfi n SER 30 Ca 0.20 -2.50 -0.01 0.00 1.01 0.00 0.00 58.87 57.58 1vfi n SER 30 Cb 0.51 -0.60 0.08 0.00 -1.01 0.00 0.00 64.21 63.18 1vfi n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vfi s GLU 32 N -2.17 3.29 0.00 0.00 2.02 -0.83 -4.35 118.70 116.67 1vfi s GLU 32 Ca 0.20 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1vfi s GLU 32 Cb 0.37 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1vfi s GLU 32 CO -0.08 -0.42 0.00 -2.37 0.02 0.00 0.00 175.26 172.41 1vfi n THR 33 N 4.96 0.00 -1.43 3.63 5.66 -1.26 -5.00 114.28 120.84 1vfi n THR 33 Ca -0.14 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.48 1vfi n THR 33 Cb 0.49 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.31 1vfi n THR 33 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1vfi n SER 34 N 0.18 -1.29 -0.23 1.09 2.88 -1.26 -4.84 113.62 110.14 1vfi n SER 34 Ca 0.00 0.71 -0.08 0.00 -1.33 0.00 0.00 58.87 58.17 1vfi n SER 34 Cb 0.00 -1.15 -0.07 0.00 -0.75 0.00 0.00 64.21 62.24 1vfi n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi h ALA 35 N 0.15 -0.44 -3.05 -1.46 0.00 -1.95 -3.18 119.26 109.33 1vfi h ALA 35 Ca -0.45 0.06 -0.71 0.00 0.00 0.00 0.00 54.91 53.80 1vfi h ALA 35 Cb 1.40 1.19 -0.33 0.00 0.00 0.00 0.00 17.79 20.04 1vfi h ALA 35 CO 0.46 -0.70 -0.34 -0.51 0.00 0.00 0.00 179.25 178.16 1vfi s ASP 36 N -4.59 5.49 -0.05 0.00 1.01 -1.26 -4.92 116.67 112.35 1vfi s ASP 36 Ca -0.09 -2.58 -0.19 0.00 0.71 0.00 0.00 52.55 50.40 1vfi s ASP 36 Cb 0.07 -1.92 -0.14 0.00 1.01 0.00 0.00 42.92 41.95 1vfi s ASP 36 CO 0.42 -0.47 0.77 0.11 0.21 0.00 0.00 175.17 176.21 1vfi h LYS 37 N 7.47 -0.25 0.21 8.23 1.57 -1.78 -1.51 116.57 130.51 1vfi h LYS 37 Ca -0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1vfi h LYS 37 Cb 0.99 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1vfi h LYS 37 CO 0.74 0.13 -0.41 0.87 -0.57 0.00 0.00 179.45 180.20 1vfi h LYS 38 N -0.93 -0.65 -0.57 3.15 6.56 -1.91 -1.22 116.57 121.01 1vfi h LYS 38 Ca -0.03 0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.72 1vfi h LYS 38 Cb 0.49 0.15 -0.11 0.00 -0.57 0.00 0.00 32.23 32.18 1vfi h LYS 38 CO 0.04 -0.43 -0.20 1.15 -2.06 0.00 0.00 179.45 177.95 1vfi h THR 39 N -0.67 0.34 -0.19 -0.16 2.02 -1.98 0.17 112.91 112.44 1vfi h THR 39 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1vfi h THR 39 Cb 0.64 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1vfi h THR 39 CO -0.16 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.56 1vfi h ARG 41 N -0.08 -0.14 -0.30 0.00 3.08 -0.36 0.90 114.38 117.48 1vfi h ARG 41 Ca 0.03 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1vfi h ARG 41 Cb 0.16 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1vfi h ARG 41 CO -0.22 -0.09 -0.39 0.00 -1.07 0.00 0.00 179.97 178.19 1vfi h ARG 42 N -0.15 -0.26 0.00 0.04 -0.00 0.11 0.95 114.38 115.07 1vfi h ARG 42 Ca 0.21 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.70 1vfi h ARG 42 Cb 0.48 0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.51 1vfi h ARG 42 CO -0.54 -0.17 -0.04 -0.97 0.00 0.00 0.00 179.97 178.24 1vfi h ASN 43 N -0.27 0.00 0.98 7.04 -0.73 0.62 0.25 115.58 123.47 1vfi h ASN 43 Ca 0.05 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 1vfi h ASN 43 Cb 0.41 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1vfi h ASN 43 CO -0.43 0.04 -0.31 0.00 -0.37 0.00 0.00 177.43 176.36 1vfi h LYS 45 N 0.00 0.02 0.00 0.00 3.64 0.41 -2.43 116.57 118.22 1vfi h LYS 45 Ca -0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1vfi h LYS 45 Cb 0.89 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1vfi h LYS 45 CO 0.04 0.42 -1.23 1.63 -2.27 0.00 0.00 179.45 178.04 1vfi n LYS 46 N -4.06 0.62 0.09 1.90 4.76 -0.96 -1.85 118.16 118.66 1vfi n LYS 46 Ca -0.02 0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 1vfi n LYS 46 Cb 0.44 -1.77 -0.07 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.91 -0.72 0.00 7.82 0.00 -0.58 -3.40 119.26 124.28 1vfi h ALA 47 Ca -0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1vfi h ALA 47 Cb 1.10 0.73 -0.14 0.00 0.00 0.00 0.00 17.79 19.47 1vfi h ALA 47 CO 0.01 -0.98 -0.27 -3.47 0.00 0.00 0.00 179.25 174.54 1vfi n ASP 48 N -5.46 -1.83 -1.60 0.00 2.03 -1.20 -4.94 116.55 103.54 1vfi n ASP 48 Ca -0.07 -2.50 -0.03 0.00 0.52 0.00 0.00 54.79 52.72 1vfi n ASP 48 Cb 0.38 1.15 -0.00 0.00 -0.72 0.00 0.00 41.12 41.93 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 0.60 0.08 -0.01 0.00 5.08 -1.63 -2.13 114.58 116.57 1vfi h GLU 50 Ca -0.45 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 57.64 1vfi h GLU 50 Cb 1.47 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1vfi h GLU 50 CO -0.16 0.95 -0.78 -1.00 -1.00 0.00 0.00 179.01 177.02 1vfi h PRO 51 N -0.75 0.12 0.26 2.33 0.13 -1.92 -2.99 132.00 129.18 1vfi h PRO 51 Ca -0.02 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1vfi h PRO 51 Cb 1.01 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1vfi h PRO 51 CO 0.03 0.84 -0.12 1.96 -0.23 0.00 0.00 178.00 180.47 1vfi h GLN 52 N 0.07 -0.34 -0.68 0.86 4.20 -1.92 -0.10 115.11 117.21 1vfi h GLN 52 Ca -0.02 0.02 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1vfi h GLN 52 Cb 1.37 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1vfi h GLN 52 CO 0.11 0.01 0.51 0.22 -0.67 0.00 0.00 178.83 179.01 1vfi h ASP 53 N -0.76 0.00 0.28 1.46 3.58 -1.46 -0.55 116.42 118.96 1vfi h ASP 53 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1vfi h ASP 53 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1vfi h ASP 53 CO 0.06 0.00 -0.13 0.11 -2.88 0.00 0.00 179.24 176.40 1vfi h LYS 54 N 0.00 -0.36 -0.97 0.28 1.57 -1.35 -2.55 116.57 113.20 1vfi h LYS 54 Ca 0.32 0.02 0.30 0.00 -1.87 0.00 0.00 60.65 59.43 1vfi h LYS 54 Cb 1.34 0.08 -0.17 0.00 0.08 0.00 0.00 32.23 33.55 1vfi h LYS 54 CO -0.00 -0.24 0.18 0.28 -0.57 0.00 0.00 179.45 179.10 1vfi h VAL 55 N -0.99 0.07 0.22 0.50 2.07 -0.06 0.62 116.25 118.68 1vfi h VAL 55 Ca -0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1vfi h VAL 55 Cb 0.28 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1vfi h VAL 55 CO 0.06 0.01 -0.15 0.00 0.02 0.00 0.00 177.57 177.51 1vfi h ASP 57 N -0.35 -0.73 -0.98 0.00 3.58 -0.31 1.35 116.42 118.98 1vfi h ASP 57 Ca -0.03 0.25 0.32 0.00 0.42 0.00 0.00 57.03 57.99 1vfi h ASP 57 Cb 0.28 0.50 -0.15 0.00 1.72 0.00 0.00 39.33 41.68 1vfi h ASP 57 CO 0.03 -0.27 0.49 0.00 -2.88 0.00 0.00 179.24 176.60 1vfi h ALA 58 N 1.84 1.84 0.52 -0.78 0.00 0.40 0.29 119.26 123.38 1vfi h ALA 58 Ca 0.42 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 1vfi h ALA 58 Cb 0.67 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1vfi h ALA 58 CO -0.85 -0.60 -0.38 0.00 0.00 0.00 0.00 179.25 177.42 1vfi h ARG 60 N -0.86 0.00 0.08 0.00 3.08 -0.40 0.81 114.38 117.09 1vfi h ARG 60 Ca -0.07 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.68 1vfi h ARG 60 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1vfi h ARG 60 CO 0.03 0.00 -1.59 1.98 -1.07 0.00 0.00 179.97 179.32 1vfi h MET 61 N 0.00 0.18 0.05 0.04 4.05 0.11 -3.29 114.93 116.07 1vfi h MET 61 Ca 0.11 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1vfi h MET 61 Cb 0.94 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1vfi h MET 61 CO -0.00 0.98 -0.03 0.87 0.23 0.00 0.00 176.91 178.97 1vfi h LYS 62 N 0.05 -0.07 -1.16 0.39 6.56 0.66 -3.21 116.57 119.79 1vfi h LYS 62 Ca -0.26 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 59.76 1vfi h LYS 62 Cb 2.00 0.02 -0.15 0.00 -0.57 0.00 0.00 32.23 33.52 1vfi h LYS 62 CO 0.13 0.46 0.70 0.00 -2.06 0.00 0.00 179.45 178.67 1vfi h HIS 64 N 0.07 -1.26 0.13 0.00 -0.00 -1.63 1.49 115.15 113.96 1vfi h HIS 64 Ca 0.83 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 61.18 1vfi h HIS 64 Cb 2.38 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 30.23 1vfi h HIS 64 CO -0.01 -0.71 -0.06 0.87 -0.00 0.00 0.00 177.93 178.02 1vfi h LYS 65 N -1.18 -0.17 0.11 5.26 1.57 0.43 0.28 116.57 122.87 1vfi h LYS 65 Ca -0.11 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1vfi h LYS 65 Cb 0.94 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.24 1vfi h LYS 65 CO 0.12 0.10 -0.51 0.00 -0.57 0.00 0.00 179.45 178.59 1vfi h ALA 66 N 0.40 -0.95 -0.65 3.86 0.00 0.20 1.24 119.26 123.38 1vfi h ALA 66 Ca -0.02 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1vfi h ALA 66 Cb 0.35 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1vfi h ALA 66 CO 0.03 -1.10 0.26 0.00 0.00 0.00 0.00 179.25 178.43 1vfi h ARG 68 N 0.44 0.55 0.00 0.00 2.43 0.11 0.19 114.38 118.09 1vfi h ARG 68 Ca 0.33 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1vfi h ARG 68 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1vfi h ARG 68 CO -0.32 0.36 0.00 0.00 -1.51 0.00 0.00 179.97 178.50 1vfi n ALA 69 N -2.33 2.08 0.03 2.80 0.00 0.41 -1.25 120.51 122.25 1vfi n ALA 69 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 1vfi n ALA 69 Cb 0.14 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1vfi n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfi h ALA 70 N 2.53 -0.30 0.00 0.00 0.00 0.42 -3.44 119.26 118.48 1vfi h ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vfi h ALA 70 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vfi h ALA 70 CO 0.00 -0.29 -0.07 -0.91 0.00 0.00 0.00 179.25 177.98 1vfi h ASN 71 N -0.32 0.00 -3.08 0.00 2.35 -1.19 -3.48 115.58 109.86 1vfi h ASN 71 Ca -0.01 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.30 1vfi h ASN 71 Cb 0.08 0.00 0.22 0.00 0.05 0.00 0.00 38.32 38.67 1vfi h ASN 71 CO 0.02 0.12 -0.17 0.00 -1.65 0.00 0.00 177.43 175.75 1vfi n ALA 73 N -4.93 0.00 0.07 0.00 0.00 -1.24 -4.07 120.51 110.34 1vfi n ALA 73 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1vfi n ALA 73 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 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 0.56 0.18 0.00 0.02 -1.93 -3.26 113.55 109.12 1vfi h SER 74 Ca 0.00 -0.92 -0.00 0.00 -0.84 0.00 0.00 61.79 60.03 1vfi h SER 74 Cb 0.00 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1vfi h SER 74 CO 0.00 1.57 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.91 1vfi h GLU 75 N -0.18 0.00 -4.23 3.45 3.07 -1.93 -3.33 114.58 111.43 1vfi h GLU 75 Ca -0.23 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.00 1vfi h GLU 75 Cb 1.85 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 29.36 1vfi h GLU 75 CO 0.16 0.02 -0.74 0.00 -1.40 0.00 0.00 179.01 177.05 1vfi n PRO 77 N 4.51 -0.56 0.44 0.00 -0.04 -1.25 -4.54 135.00 133.56 1vfi n PRO 77 Ca 0.00 -0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 1vfi n PRO 77 Cb 0.42 -0.06 -0.08 0.00 -0.04 0.00 0.00 33.50 33.74 1vfi n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1vfi h LYS 78 N 0.00 -1.10 0.00 0.54 3.64 -1.96 -3.44 116.57 114.24 1vfi h LYS 78 Ca -0.02 0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1vfi h LYS 78 Cb 0.05 0.25 0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1vfi h LYS 78 CO 0.01 -0.74 0.03 0.72 -2.27 0.00 0.00 179.45 177.21 1vfi n HIS 79 N -5.50 -3.26 -0.91 1.91 8.25 -1.26 -4.93 115.22 109.52 1vfi n HIS 79 Ca -0.14 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1vfi n HIS 79 Cb 0.45 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1vfi n HIS 79 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1vfi n GLU 80 N -2.31 -2.45 -0.11 -0.41 4.71 -1.26 -4.94 120.64 113.87 1vfi n GLU 80 Ca 0.04 1.88 -0.20 0.00 -0.01 0.00 0.00 57.16 58.87 1vfi n GLU 80 Cb 0.15 -2.29 -0.09 0.00 -1.01 0.00 0.00 31.44 28.19 1vfi n GLU 80 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1vfi n HIS 81 N -1.86 0.00 -3.31 -0.32 1.44 -1.26 -4.95 115.22 104.96 1vfi n HIS 81 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 1vfi n HIS 81 Cb 0.21 -0.83 -0.06 0.00 0.12 0.00 0.00 29.99 29.43 1vfi n HIS 81 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1vfi s LYS 82 N -2.43 0.40 0.48 -1.40 0.00 -1.26 -5.06 119.74 110.47 1vfi s LYS 82 Ca -0.31 0.36 0.01 0.00 0.00 0.00 0.00 55.97 56.04 1vfi s LYS 82 Cb 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 37.83 37.64 1vfi s LYS 82 CO 0.46 -0.85 0.70 -1.54 0.00 0.00 0.00 175.35 174.11 1vfi s SER 83 N 2.57 5.64 0.13 0.03 1.04 -1.26 -4.91 113.70 116.94 1vfi s SER 83 Ca 0.12 0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 1vfi s SER 83 Cb -0.14 -1.26 -0.07 0.00 0.10 0.00 0.00 66.02 64.65 1vfi s SER 83 CO -0.24 -0.85 1.44 -0.78 0.98 0.00 0.00 173.24 173.79 1vfi h ASP 84 N 0.31 0.97 1.32 7.02 3.58 -1.99 0.36 116.42 128.00 1vfi h ASP 84 Ca -0.45 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.51 1vfi h ASP 84 Cb 1.27 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1vfi h ASP 84 CO 0.55 1.28 0.00 0.00 -2.88 0.00 0.00 179.24 178.19 1vfi h THR 85 N 0.69 0.00 0.00 2.25 1.03 -1.95 -2.56 112.91 112.38 1vfi h THR 85 Ca 0.04 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1vfi h THR 85 Cb 1.05 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1vfi h THR 85 CO 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 175.52 175.61 1vfi h ARG 87 N -0.03 0.00 -0.03 0.00 3.08 -1.04 1.48 114.38 117.84 1vfi h ARG 87 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1vfi h ARG 87 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1vfi h ARG 87 CO 0.00 0.00 -0.23 0.00 -1.07 0.00 0.00 179.97 178.67 1vfi h ALA 88 N 1.05 0.07 0.80 0.04 0.00 -1.57 -1.83 119.26 117.82 1vfi h ALA 88 Ca 0.70 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1vfi h ALA 88 Cb 3.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.82 1vfi h ALA 88 CO -0.01 0.08 -0.44 0.00 0.00 0.00 0.00 179.25 178.88 1vfi h MET 90 N -1.15 0.00 -0.06 0.00 -0.00 -1.04 0.18 114.93 112.86 1vfi h MET 90 Ca -0.11 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1vfi h MET 90 Cb 0.90 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.45 1vfi h MET 90 CO 0.14 0.00 -0.27 -0.22 -0.00 0.00 0.00 176.91 176.56 1vfi h LYS 91 N 0.00 -0.37 0.00 -0.10 3.64 -0.33 1.47 116.57 120.87 1vfi h LYS 91 Ca 0.05 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1vfi h LYS 91 Cb 0.72 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1vfi h LYS 91 CO -0.00 -0.25 -1.13 2.41 -2.27 0.00 0.00 179.45 178.21 1vfi n THR 92 N -5.39 1.49 -0.26 1.00 -1.04 -0.50 -3.90 114.28 105.68 1vfi n THR 92 Ca -0.04 0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 61.98 1vfi n THR 92 Cb 0.30 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.50 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 -1.54 0.00 8.00 2.35 -0.85 -3.39 115.58 119.16 1vfi h ASN 93 Ca -0.11 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1vfi h ASN 93 Cb 1.01 0.72 0.00 0.00 0.05 0.00 0.00 38.32 40.10 1vfi h ASN 93 CO -0.06 -0.31 0.00 0.00 -1.65 0.00 0.00 177.43 175.40