#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctr s SER 2 N 0.00 2.07 0.62 1.61 1.04 -1.26 -5.14 113.70 112.64 2ctr s SER 2 Ca 0.00 -1.16 -0.17 0.00 0.48 0.00 0.00 55.95 55.10 2ctr s SER 2 Cb 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 2ctr s SER 2 CO 0.00 -0.42 1.13 -0.94 0.98 0.00 0.00 173.24 173.99 2ctr s SER 3 N -3.31 5.24 0.27 7.02 1.04 -1.26 -4.96 113.70 117.73 2ctr s SER 3 Ca 0.26 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2ctr s SER 3 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2ctr s SER 3 CO 0.08 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.36 2ctr n GLY 4 N -0.11 -0.45 2.96 7.32 0.00 -1.26 -4.94 105.19 108.71 2ctr n GLY 4 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2ctr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctr s SER 5 N -4.56 -0.15 0.97 1.61 0.15 -1.26 -4.99 113.70 105.47 2ctr s SER 5 Ca 0.00 0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 2ctr s SER 5 Cb 0.00 0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.73 2ctr s SER 5 CO 0.00 -0.14 1.10 -0.94 1.20 0.00 0.00 173.24 174.45 2ctr s SER 6 N 1.09 2.62 0.00 5.45 1.04 -1.26 -4.90 113.70 117.75 2ctr s SER 6 Ca -0.08 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.16 2ctr s SER 6 Cb -0.10 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ctr s SER 6 CO -0.06 -3.22 0.00 0.61 0.98 0.00 0.00 173.24 171.55 2ctr n GLY 7 N -0.04 -1.81 3.76 7.32 0.00 -1.26 -4.98 105.19 108.17 2ctr n GLY 7 Ca 0.08 0.74 -0.39 0.00 0.00 0.00 0.00 46.02 46.45 2ctr n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctr s SER 8 N -4.00 7.52 0.11 1.61 1.04 -1.26 -4.89 113.70 113.82 2ctr s SER 8 Ca 0.00 1.95 -0.23 0.00 0.48 0.00 0.00 55.95 58.15 2ctr s SER 8 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 2ctr s SER 8 CO 0.00 0.06 1.39 1.88 0.98 0.00 0.00 173.24 177.55 2ctr h TYR 9 N 3.82 -1.32 -1.18 5.02 0.05 -1.96 0.56 116.97 121.95 2ctr h TYR 9 Ca -0.46 0.08 0.38 0.00 0.05 0.00 0.00 58.73 58.78 2ctr h TYR 9 Cb 1.20 0.65 -0.08 0.00 1.01 0.00 0.00 36.73 39.51 2ctr h TYR 9 CO 0.61 -0.29 0.80 0.66 -1.05 0.00 0.00 178.16 178.89 2ctr n TYR 10 N -4.61 0.31 -0.06 4.88 4.01 -1.26 0.19 117.16 120.62 2ctr n TYR 10 Ca 0.00 0.31 -0.14 0.00 -0.16 0.00 0.00 57.90 57.91 2ctr n TYR 10 Cb 0.20 -0.70 -0.13 0.00 -0.31 0.00 0.00 39.34 38.41 2ctr n TYR 10 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2ctr h ASP 11 N 0.00 0.04 -1.00 7.72 3.58 -0.13 0.15 116.42 126.77 2ctr h ASP 11 Ca 0.66 -0.95 0.02 0.00 0.42 0.00 0.00 57.03 57.18 2ctr h ASP 11 Cb 2.35 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 43.34 2ctr h ASP 11 CO -0.21 0.98 0.66 0.40 -2.88 0.00 0.00 179.24 178.20 2ctr h ILE 12 N -0.89 1.24 0.24 2.25 2.04 0.26 -2.86 117.51 119.79 2ctr h ILE 12 Ca -0.01 -0.46 -0.34 0.00 1.00 0.00 0.00 64.86 65.05 2ctr h ILE 12 Cb 1.00 -0.22 0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2ctr h ILE 12 CO 0.01 0.24 -1.51 -0.07 0.00 0.00 0.00 178.15 176.82 2ctr h LEU 13 N 1.34 0.81 -0.15 1.44 3.38 -0.72 -3.47 115.31 117.93 2ctr h LEU 13 Ca 0.38 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2ctr h LEU 13 Cb -0.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.36 2ctr h LEU 13 CO -0.09 1.71 0.00 0.61 0.09 0.00 0.00 178.44 180.76 2ctr n GLY 14 N 1.73 1.17 3.38 0.83 0.00 0.28 -4.79 105.19 107.78 2ctr n GLY 14 Ca -0.18 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 2ctr n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctr s VAL 15 N -2.15 2.07 0.80 1.61 -7.23 0.13 -5.02 120.40 110.62 2ctr s VAL 15 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2ctr s VAL 15 Cb 0.00 -1.99 0.08 0.00 0.56 0.00 0.00 36.38 35.03 2ctr s VAL 15 CO 0.00 -0.25 1.09 -2.16 -0.31 0.00 0.00 175.10 173.47 2ctr s PRO 16 N -2.82 2.00 0.53 4.82 0.04 -1.26 -4.56 135.00 133.75 2ctr s PRO 16 Ca 0.19 1.08 0.24 0.00 0.04 0.00 0.00 61.00 62.55 2ctr s PRO 16 Cb -0.06 -1.87 1.47 0.00 0.04 0.00 0.00 34.50 34.08 2ctr s PRO 16 CO 0.08 -1.80 2.14 0.87 0.04 0.00 0.00 177.00 178.34 2ctr h LYS 17 N -1.24 0.00 -0.68 4.56 1.79 -2.01 -0.45 116.57 118.55 2ctr h LYS 17 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2ctr h LYS 17 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2ctr h LYS 17 CO 0.52 0.07 0.00 -1.13 -1.08 0.00 0.00 179.45 177.83 2ctr n SER 18 N -4.01 4.66 -4.64 0.86 3.41 -1.26 -4.99 113.62 107.65 2ctr n SER 18 Ca -0.03 -2.36 -0.48 0.00 -0.26 0.00 0.00 58.87 55.75 2ctr n SER 18 Cb 0.15 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ctr n ALA 19 N 1.27 0.59 -2.00 7.33 0.00 -0.18 -4.95 120.51 122.57 2ctr n ALA 19 Ca 0.26 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.84 2ctr n ALA 19 Cb 0.85 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 2ctr n ALA 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ctr s SER 20 N 0.66 6.70 0.24 0.00 0.01 -1.26 -4.79 113.70 115.27 2ctr s SER 20 Ca 0.79 1.41 -0.08 0.00 1.31 0.00 0.00 55.95 59.38 2ctr s SER 20 Cb -0.76 -2.43 0.38 0.00 0.21 0.00 0.00 66.02 63.42 2ctr s SER 20 CO 0.43 -0.39 1.36 1.21 0.41 0.00 0.00 173.24 176.26 2ctr n GLU 21 N -1.00 -0.09 -0.32 12.44 2.13 -1.26 0.18 120.64 132.73 2ctr n GLU 21 Ca 0.05 1.36 0.00 0.00 0.66 0.00 0.00 57.16 59.23 2ctr n GLU 21 Cb 0.54 -2.04 0.13 0.00 0.27 0.00 0.00 31.44 30.35 2ctr n GLU 21 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 2ctr h ARG 22 N 0.00 1.00 -0.37 5.31 0.11 -1.97 -0.55 114.38 117.90 2ctr h ARG 22 Ca 0.41 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 60.40 2ctr h ARG 22 Cb 0.63 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 2ctr h ARG 22 CO -0.90 0.66 0.14 1.96 0.10 0.00 0.00 179.97 181.93 2ctr h GLN 23 N 1.03 0.56 -0.37 0.08 4.20 0.16 -2.15 115.11 118.61 2ctr h GLN 23 Ca 0.37 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2ctr h GLN 23 Cb 0.11 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2ctr h GLN 23 CO -0.15 0.55 0.19 0.82 -0.67 0.00 0.00 178.83 179.56 2ctr h ILE 24 N 0.45 1.16 0.40 2.54 2.04 -0.54 -0.79 117.51 122.77 2ctr h ILE 24 Ca 0.12 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2ctr h ILE 24 Cb 0.20 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2ctr h ILE 24 CO -0.01 0.17 -0.41 0.11 0.00 0.00 0.00 178.15 178.01 2ctr h LYS 25 N 0.47 -0.80 -0.77 2.37 1.57 -0.99 0.83 116.57 119.25 2ctr h LYS 25 Ca 0.13 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 2ctr h LYS 25 Cb 0.09 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 2ctr h LYS 25 CO -0.02 -0.53 0.44 0.87 -0.57 0.00 0.00 179.45 179.65 2ctr h LYS 26 N -0.83 0.77 -0.74 3.15 6.56 -1.35 0.24 116.57 124.37 2ctr h LYS 26 Ca -0.03 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2ctr h LYS 26 Cb 0.74 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 32.19 2ctr h LYS 26 CO -0.07 0.51 0.49 0.00 -2.06 0.00 0.00 179.45 178.31 2ctr h ALA 27 N 1.40 0.94 0.30 3.86 0.00 -0.73 -2.22 119.26 122.81 2ctr h ALA 27 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2ctr h ALA 27 Cb 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ctr h ALA 27 CO -0.20 0.34 -0.15 0.35 0.00 0.00 0.00 179.25 179.59 2ctr h PHE 28 N 0.99 -0.38 -0.25 0.00 3.57 0.02 -2.86 116.94 118.04 2ctr h PHE 28 Ca 0.27 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2ctr h PHE 28 Cb -0.10 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2ctr h PHE 28 CO -0.02 -0.06 -0.19 0.45 -2.23 0.00 0.00 178.31 176.25 2ctr h HIS 29 N -0.99 -0.61 -0.66 0.41 3.86 -0.54 0.24 115.15 116.86 2ctr h HIS 29 Ca -0.04 0.04 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2ctr h HIS 29 Cb 0.48 0.30 -0.13 0.00 1.06 0.00 0.00 27.41 29.12 2ctr h HIS 29 CO 0.04 -0.14 -0.19 1.57 0.86 0.00 0.00 177.93 180.07 2ctr h LYS 30 N -0.06 -0.02 0.22 2.45 2.10 -1.54 -2.20 116.57 117.52 2ctr h LYS 30 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2ctr h LYS 30 Cb 0.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 2ctr h LYS 30 CO -0.26 -0.01 -0.32 -0.07 -2.00 0.00 0.00 179.45 176.78 2ctr h LEU 31 N -0.02 -0.91 -1.31 7.07 3.38 -0.87 -1.46 115.31 121.19 2ctr h LEU 31 Ca 0.31 0.08 0.44 0.00 0.09 0.00 0.00 57.88 58.81 2ctr h LEU 31 Cb 0.50 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 2ctr h LEU 31 CO -0.69 -0.39 0.85 0.00 0.09 0.00 0.00 178.44 178.30 2ctr n ALA 32 N -2.66 1.29 -0.11 1.53 0.00 0.69 0.24 120.51 121.49 2ctr n ALA 32 Ca -0.07 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2ctr n ALA 32 Cb 0.27 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2ctr n ALA 32 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2ctr h MET 33 N 0.00 0.81 0.00 0.00 2.86 -0.86 1.22 114.93 118.96 2ctr h MET 33 Ca 0.81 -0.42 -0.08 0.00 -2.06 0.00 0.00 59.70 57.95 2ctr h MET 33 Cb 2.66 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 34.33 2ctr h MET 33 CO -0.39 1.06 -0.36 -0.22 1.06 0.00 0.00 176.91 178.05 2ctr h LYS 34 N 0.59 0.00 -0.09 1.72 3.64 0.35 -2.92 116.57 119.85 2ctr h LYS 34 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2ctr h LYS 34 Cb 0.90 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2ctr h LYS 34 CO 0.08 0.36 -0.04 0.66 -2.27 0.00 0.00 179.45 178.24 2ctr n TYR 35 N -3.98 0.32 -2.11 1.91 4.01 -0.39 -4.86 117.16 112.07 2ctr n TYR 35 Ca -0.02 -1.04 -0.41 0.00 -0.16 0.00 0.00 57.90 56.28 2ctr n TYR 35 Cb 0.41 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 2ctr n TYR 35 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2ctr s HIS 36 N -2.91 3.09 0.24 -0.72 2.46 0.42 -4.28 115.29 113.58 2ctr s HIS 36 Ca 0.36 1.24 0.22 0.00 0.47 0.00 0.00 55.06 57.35 2ctr s HIS 36 Cb 0.31 -3.71 0.95 0.00 -0.13 0.00 0.00 32.58 30.01 2ctr s HIS 36 CO 0.04 -2.13 1.86 -1.00 -2.47 0.00 0.00 174.74 171.04 2ctr h PRO 37 N 4.38 0.00 0.00 2.88 0.13 -1.83 0.21 132.00 137.77 2ctr h PRO 37 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2ctr h PRO 37 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ctr h PRO 37 CO 0.72 0.26 -0.46 0.22 -0.23 0.00 0.00 178.00 178.52 2ctr h ASP 38 N 0.00 0.00 -0.23 1.44 1.82 -1.95 -3.38 116.42 114.11 2ctr h ASP 38 Ca -0.00 -0.80 -0.13 0.00 -0.39 0.00 0.00 57.03 55.70 2ctr h ASP 38 Cb 0.69 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.70 2ctr h ASP 38 CO 0.03 1.17 -0.37 0.11 -1.61 0.00 0.00 179.24 178.57 2ctr h LYS 39 N -1.00 0.66 -6.38 0.28 1.79 -1.88 -3.43 116.57 106.61 2ctr h LYS 39 Ca -0.13 -0.40 -0.54 0.00 -2.18 0.00 0.00 60.65 57.41 2ctr h LYS 39 Cb 1.09 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 2ctr h LYS 39 CO -0.08 1.02 0.22 1.21 -1.08 0.00 0.00 179.45 180.74 2ctr s ASN 40 N -6.61 7.30 -0.43 0.86 3.84 0.75 -4.96 114.94 115.69 2ctr s ASN 40 Ca -0.12 1.55 0.04 0.00 0.21 0.00 0.00 52.86 54.55 2ctr s ASN 40 Cb 0.08 -2.50 0.65 0.00 -0.55 0.00 0.00 41.25 38.92 2ctr s ASN 40 CO 0.83 -0.01 1.87 0.29 -2.79 0.00 0.00 177.10 177.29 2ctr n LYS 41 N 2.80 2.21 -4.73 0.43 5.02 -1.26 -4.61 118.16 118.02 2ctr n LYS 41 Ca -0.01 -3.04 -0.31 0.00 -2.02 0.00 0.00 58.31 52.93 2ctr n LYS 41 Cb 0.50 -2.14 -0.13 0.00 -0.02 0.00 0.00 35.03 33.24 2ctr n LYS 41 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ctr s SER 42 N -1.46 3.85 0.25 4.39 0.15 -1.26 -5.03 113.70 114.58 2ctr s SER 42 Ca 0.56 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.86 2ctr s SER 42 Cb 0.47 -0.67 0.31 0.00 -1.71 0.00 0.00 66.02 64.42 2ctr s SER 42 CO 0.09 0.28 1.62 1.55 1.20 0.00 0.00 173.24 177.98 2ctr h PRO 43 N 4.73 0.39 -0.26 5.44 0.13 -1.99 -3.08 132.00 137.36 2ctr h PRO 43 Ca -0.47 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 64.33 2ctr h PRO 43 Cb 1.15 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2ctr h PRO 43 CO 0.48 0.76 -0.35 0.22 -0.23 0.00 0.00 178.00 178.88 2ctr h ASP 44 N 0.32 0.61 -0.70 1.44 3.58 -2.00 -3.19 116.42 116.47 2ctr h ASP 44 Ca 0.02 -0.25 0.14 0.00 0.42 0.00 0.00 57.03 57.36 2ctr h ASP 44 Cb 0.91 -0.17 -0.13 0.00 1.72 0.00 0.00 39.33 41.66 2ctr h ASP 44 CO 0.08 0.91 -0.22 0.00 -2.88 0.00 0.00 179.24 177.13 2ctr h ALA 45 N 1.13 0.36 -0.72 -0.78 0.00 -1.86 0.12 119.26 117.50 2ctr h ALA 45 Ca 0.05 0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.38 2ctr h ALA 45 Cb 0.84 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 2ctr h ALA 45 CO 0.07 -0.47 0.08 1.49 0.00 0.00 0.00 179.25 180.42 2ctr h GLU 46 N -0.03 0.17 0.19 0.00 4.81 -1.68 -1.09 114.58 116.95 2ctr h GLU 46 Ca 0.32 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2ctr h GLU 46 Cb 0.53 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2ctr h GLU 46 CO -0.73 0.11 -0.11 0.00 -0.73 0.00 0.00 179.01 177.55 2ctr h ALA 47 N 1.64 -0.27 -0.50 2.92 0.00 -0.94 -2.74 119.26 119.37 2ctr h ALA 47 Ca 0.40 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.34 2ctr h ALA 47 Cb 0.69 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 2ctr h ALA 47 CO -0.57 -0.66 -0.42 0.87 0.00 0.00 0.00 179.25 178.47 2ctr h LYS 48 N -0.28 -0.25 -0.93 0.00 1.79 -0.55 0.14 116.57 116.49 2ctr h LYS 48 Ca -0.02 0.02 0.19 0.00 -2.18 0.00 0.00 60.65 58.65 2ctr h LYS 48 Cb 0.23 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.83 2ctr h LYS 48 CO 0.03 -0.17 0.50 0.35 -1.08 0.00 0.00 179.45 179.08 2ctr h PHE 49 N -0.26 0.86 -0.38 -1.35 3.57 -1.30 0.42 116.94 118.50 2ctr h PHE 49 Ca 0.17 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.81 2ctr h PHE 49 Cb 0.57 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2ctr h PHE 49 CO -0.66 0.13 0.41 -0.09 -2.23 0.00 0.00 178.31 175.88 2ctr h ARG 50 N 0.61 0.00 0.00 1.11 9.65 -0.41 0.32 114.38 125.66 2ctr h ARG 50 Ca 0.54 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 59.28 2ctr h ARG 50 Cb 0.89 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 2ctr h ARG 50 CO -0.42 0.00 -1.60 0.39 2.80 0.00 0.00 179.97 181.14 2ctr n GLU 51 N -3.73 0.64 -0.01 0.20 4.71 0.14 -3.75 120.64 118.84 2ctr n GLU 51 Ca 0.07 0.10 -0.17 0.00 -0.01 0.00 0.00 57.16 57.15 2ctr n GLU 51 Cb 0.58 -1.72 -0.10 0.00 -1.01 0.00 0.00 31.44 29.19 2ctr n GLU 51 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2ctr h ILE 52 N 0.00 1.42 0.49 -3.67 2.04 0.27 -3.17 117.51 114.89 2ctr h ILE 52 Ca -0.16 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 63.72 2ctr h ILE 52 Cb 1.48 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 2ctr h ILE 52 CO 0.03 0.57 -0.23 0.00 0.00 0.00 0.00 178.15 178.51 2ctr h ALA 53 N 0.36 -1.03 -0.98 1.87 0.00 -1.20 -1.99 119.26 116.29 2ctr h ALA 53 Ca -0.05 -0.14 0.40 0.00 0.00 0.00 0.00 54.91 55.11 2ctr h ALA 53 Cb 1.20 0.25 -0.18 0.00 0.00 0.00 0.00 17.79 19.06 2ctr h ALA 53 CO 0.10 -0.98 0.49 -1.91 0.00 0.00 0.00 179.25 176.95 2ctr n GLU 54 N -3.99 -0.06 -0.14 0.00 4.07 -1.25 0.19 120.64 119.46 2ctr n GLU 54 Ca -0.08 1.37 -0.11 0.00 -0.06 0.00 0.00 57.16 58.28 2ctr n GLU 54 Cb 0.26 -2.43 0.02 0.00 -0.06 0.00 0.00 31.44 29.22 2ctr n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ctr h ALA 55 N 1.97 0.72 0.20 4.31 0.00 -1.50 -3.17 119.26 121.79 2ctr h ALA 55 Ca 0.82 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2ctr h ALA 55 Cb 2.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2ctr h ALA 55 CO -0.77 0.67 -0.09 -0.92 0.00 0.00 0.00 179.25 178.13 2ctr h TYR 56 N 0.82 -0.24 -0.85 0.00 3.20 0.29 -2.80 116.97 117.38 2ctr h TYR 56 Ca 0.11 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.28 2ctr h TYR 56 Cb 0.79 0.08 -0.16 0.00 1.54 0.00 0.00 36.73 38.99 2ctr h TYR 56 CO 0.05 0.14 0.28 0.39 -1.64 0.00 0.00 178.16 177.38 2ctr n GLU 57 N -4.95 -0.06 -0.02 1.82 -0.58 0.10 0.23 120.64 117.18 2ctr n GLU 57 Ca -0.07 1.22 -0.16 0.00 -0.42 0.00 0.00 57.16 57.72 2ctr n GLU 57 Cb 0.25 -2.08 -0.08 0.00 -0.57 0.00 0.00 31.44 28.95 2ctr n GLU 57 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2ctr h THR 58 N 0.00 1.35 -0.35 2.62 2.02 -1.60 -3.12 112.91 113.83 2ctr h THR 58 Ca 0.64 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2ctr h THR 58 Cb 1.57 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 2ctr h THR 58 CO -0.72 0.57 0.00 0.18 0.37 0.00 0.00 175.52 175.92 2ctr n LEU 59 N -4.17 2.60 -0.12 2.58 4.77 0.41 -0.26 117.00 122.80 2ctr n LEU 59 Ca -0.08 -1.31 -0.26 0.00 -0.03 0.00 0.00 56.01 54.33 2ctr n LEU 59 Cb 0.63 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2ctr n LEU 59 CO 0.48 0.49 -1.02 -1.54 -1.33 0.00 0.00 177.39 174.47 2ctr n SER 60 N 0.52 1.91 -3.26 -1.43 3.41 0.63 -4.87 113.62 110.53 2ctr n SER 60 Ca 0.14 0.38 -0.20 0.00 -0.26 0.00 0.00 58.87 58.93 2ctr n SER 60 Cb 0.48 -0.89 0.14 0.00 -0.26 0.00 0.00 64.21 63.69 2ctr n SER 60 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ctr n ASP 61 N -4.34 -0.33 -0.02 4.04 2.03 -1.23 -4.98 116.55 111.72 2ctr n ASP 61 Ca -0.44 -1.24 -0.01 0.00 0.52 0.00 0.00 54.79 53.62 2ctr n ASP 61 Cb 0.79 -0.68 -0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2ctr n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ctr h ALA 62 N -2.00 0.00 -0.44 -1.67 0.00 -1.94 -3.28 119.26 109.93 2ctr h ALA 62 Ca -0.28 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.40 2ctr h ALA 62 Cb 0.80 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2ctr h ALA 62 CO 0.20 0.12 0.16 -0.97 0.00 0.00 0.00 179.25 178.75 2ctr h ASN 63 N -0.28 0.17 -0.40 0.00 -0.73 -1.97 0.38 115.58 112.75 2ctr h ASN 63 Ca 0.00 0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.30 2ctr h ASN 63 Cb 0.12 0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.67 2ctr h ASN 63 CO 0.00 0.13 -0.07 0.03 -0.37 0.00 0.00 177.43 177.15 2ctr h ARG 64 N 0.33 0.03 -0.01 6.67 3.08 -1.79 0.92 114.38 123.60 2ctr h ARG 64 Ca 0.20 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 2ctr h ARG 64 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2ctr h ARG 64 CO -0.21 0.02 -0.62 -0.09 -1.07 0.00 0.00 179.97 178.01 2ctr h ARG 65 N 0.03 0.05 0.00 0.04 1.12 -0.12 -2.12 114.38 113.38 2ctr h ARG 65 Ca 0.20 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.98 2ctr h ARG 65 Cb 0.30 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 2ctr h ARG 65 CO -0.39 0.65 -0.25 -0.22 -3.11 0.00 0.00 179.97 176.64 2ctr h LYS 66 N 0.03 0.00 0.00 0.20 3.64 0.12 -2.91 116.57 117.65 2ctr h LYS 66 Ca -0.01 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 2ctr h LYS 66 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2ctr h LYS 66 CO 0.08 0.25 -0.81 0.93 -2.27 0.00 0.00 179.45 177.63 2ctr h GLU 67 N 0.00 0.00 0.00 1.90 5.08 -0.68 -2.81 114.58 118.07 2ctr h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ctr h GLU 67 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2ctr h GLU 67 CO 0.03 0.96 0.18 0.98 -1.00 0.00 0.00 179.01 180.17 2ctr n TYR 68 N -4.50 0.51 -0.13 4.33 4.19 -0.81 0.18 117.16 120.92 2ctr n TYR 68 Ca -0.24 0.26 -0.27 0.00 3.31 0.00 0.00 57.90 60.96 2ctr n TYR 68 Cb 0.60 -0.79 -0.11 0.00 0.49 0.00 0.00 39.34 39.53 2ctr n TYR 68 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 2ctr n ASP 69 N -2.06 1.95 0.28 2.98 -0.08 -1.10 -1.55 116.55 116.97 2ctr n ASP 69 Ca -0.01 0.30 0.18 0.00 -1.51 0.00 0.00 54.79 53.74 2ctr n ASP 69 Cb 0.21 -0.80 0.72 0.00 2.34 0.00 0.00 41.12 43.59 2ctr n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ctr h THR 70 N -0.86 0.00 0.00 5.18 1.03 -1.03 -3.30 112.91 113.93 2ctr h THR 70 Ca -0.64 -0.47 -0.14 0.00 -0.01 0.00 0.00 66.41 65.16 2ctr h THR 70 Cb 1.61 1.46 -0.02 0.00 -1.07 0.00 0.00 68.15 70.13 2ctr h THR 70 CO -0.35 0.00 -1.50 0.18 -0.01 0.00 0.00 175.52 173.84 2ctr n LEU 71 N -3.06 2.44 0.00 0.00 4.77 0.13 -5.07 117.00 116.20 2ctr n LEU 71 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2ctr n LEU 71 Cb 0.29 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2ctr n LEU 71 CO 0.26 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2ctr n GLY 72 N 2.93 -1.06 0.43 -0.72 0.00 -0.60 -3.87 105.19 102.30 2ctr n GLY 72 Ca -0.16 -1.41 0.25 0.00 0.00 0.00 0.00 46.02 44.70 2ctr n GLY 72 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2ctr h HIS 73 N 0.00 0.49 -0.27 1.61 2.76 -1.93 1.35 115.15 119.16 2ctr h HIS 73 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2ctr h HIS 73 Cb 0.00 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2ctr h HIS 73 CO 0.00 0.05 0.18 1.03 -1.30 0.00 0.00 177.93 177.88 2ctr h SER 74 N 0.29 0.31 0.00 3.26 0.87 -1.94 1.14 113.55 117.48 2ctr h SER 74 Ca 0.58 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 2ctr h SER 74 Cb 1.66 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2ctr h SER 74 CO -0.22 0.22 -0.47 0.00 -0.53 0.00 0.00 176.83 175.83 2ctr n ALA 75 N -2.50 1.70 -0.06 6.23 0.00 0.19 -3.54 120.51 122.52 2ctr n ALA 75 Ca 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 2ctr n ALA 75 Cb 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 2ctr n ALA 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ctr n PHE 76 N -3.78 -0.07 -0.05 0.00 -0.00 0.41 -2.60 117.46 111.37 2ctr n PHE 76 Ca -0.07 0.19 -0.02 0.00 -0.00 0.00 0.00 57.45 57.56 2ctr n PHE 76 Cb 0.25 -0.41 -0.15 0.00 -0.00 0.00 0.00 39.48 39.16 2ctr n PHE 76 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2ctr n THR 77 N -3.20 0.95 -4.15 -2.13 5.66 -1.17 -4.99 114.28 105.26 2ctr n THR 77 Ca 0.00 -0.72 -0.28 0.00 -3.05 0.00 0.00 64.05 60.00 2ctr n THR 77 Cb 0.04 -0.38 -0.09 0.00 -1.55 0.00 0.00 70.33 68.35 2ctr n THR 77 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2ctr n SER 78 N -2.63 0.85 -4.92 1.09 2.88 0.39 -4.89 113.62 106.39 2ctr n SER 78 Ca -0.20 -1.16 -0.27 0.00 -1.33 0.00 0.00 58.87 55.91 2ctr n SER 78 Cb 0.93 -1.44 0.05 0.00 -0.75 0.00 0.00 64.21 63.00 2ctr n SER 78 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctr s GLY 79 N -4.25 1.64 0.26 0.46 0.00 -1.25 -4.98 107.32 99.20 2ctr s GLY 79 Ca 0.01 -0.73 0.20 0.00 0.00 0.00 0.00 44.72 44.20 2ctr s GLY 79 CO 0.90 -0.38 1.25 0.07 0.00 0.00 0.00 173.10 174.94 2ctr h LYS 80 N -0.45 0.00 0.00 2.90 2.10 -1.98 -3.49 116.57 115.65 2ctr h LYS 80 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2ctr h LYS 80 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2ctr h LYS 80 CO 0.61 0.14 0.00 0.41 -2.00 0.00 0.00 179.45 178.61 2ctr n GLY 81 N 1.20 0.71 3.23 0.07 0.00 -1.26 -4.95 105.19 104.19 2ctr n GLY 81 Ca -0.00 -1.36 0.04 0.00 0.00 0.00 0.00 46.02 44.70 2ctr n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctr s GLN 82 N 0.00 0.14 0.07 1.61 2.00 -1.26 -5.13 119.66 117.09 2ctr s GLN 82 Ca 0.00 0.32 -0.30 0.00 -2.00 0.00 0.00 55.36 53.38 2ctr s GLN 82 Cb 0.00 0.19 -0.05 0.00 0.80 0.00 0.00 33.01 33.95 2ctr s GLN 82 CO 0.00 -0.08 1.01 -1.54 -0.50 0.00 0.00 175.29 174.18 2ctr s SER 83 N 2.46 7.37 0.00 6.67 1.04 -1.26 -4.86 113.70 125.12 2ctr s SER 83 Ca -0.02 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.22 2ctr s SER 83 Cb -0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2ctr s SER 83 CO -0.14 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2ctr n GLY 84 N 2.59 0.26 3.77 7.32 0.00 -1.26 -5.15 105.19 112.73 2ctr n GLY 84 Ca 0.05 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2ctr n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctr s PRO 85 N 0.00 3.30 0.01 1.61 0.04 -1.26 -4.99 135.00 133.71 2ctr s PRO 85 Ca 0.00 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 2ctr s PRO 85 Cb 0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ctr s PRO 85 CO 0.00 -0.89 -0.00 0.43 0.04 0.00 0.00 177.00 176.58 2ctr n SER 86 N -1.42 0.13 -4.76 6.66 7.64 -1.26 -5.09 113.62 115.52 2ctr n SER 86 Ca 0.11 0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 2ctr n SER 86 Cb 0.51 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 2ctr n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ctr s SER 87 N -5.12 4.51 0.00 6.43 0.15 -1.26 -5.27 113.70 113.14 2ctr s SER 87 Ca -0.00 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2ctr s SER 87 Cb 0.00 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2ctr s SER 87 CO 0.00 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.49