#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8f h THR 2 N 0.00 1.16 -3.12 0.00 1.35 -2.08 -3.42 112.91 106.80 2k8f h THR 2 Ca 0.00 -0.99 -0.60 0.00 -0.55 0.00 0.00 66.41 64.26 2k8f h THR 2 Cb 0.00 1.54 -0.07 0.00 -1.73 0.00 0.00 68.15 67.89 2k8f h THR 2 CO 0.00 0.28 -0.23 -1.10 -0.25 0.00 0.00 175.52 174.22 2k8f s GLN 3 N -4.34 4.06 0.20 4.72 -0.21 -1.26 -4.83 119.66 117.99 2k8f s GLN 3 Ca -0.03 0.33 -0.13 0.00 0.02 0.00 0.00 55.36 55.55 2k8f s GLN 3 Cb 0.15 -3.31 0.05 0.00 1.00 0.00 0.00 33.01 30.90 2k8f s GLN 3 CO 0.70 0.48 0.64 0.43 -2.12 0.00 0.00 175.29 175.43 2k8f n SER 4 N 2.60 -1.39 -0.08 5.90 7.64 -1.26 -4.95 113.62 122.07 2k8f n SER 4 Ca -0.12 -1.85 0.13 0.00 1.01 0.00 0.00 58.87 58.04 2k8f n SER 4 Cb 0.52 2.29 0.52 0.00 -1.01 0.00 0.00 64.21 66.53 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2k8f h PRO 5 N 0.00 0.35 -0.43 1.43 0.11 -1.97 1.07 132.00 132.57 2k8f h PRO 5 Ca -0.21 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.92 2k8f h PRO 5 Cb 0.85 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 2k8f h PRO 5 CO 0.27 0.23 0.28 0.78 -0.21 0.00 0.00 178.00 179.36 2k8f h GLY 6 N 0.36 0.50 1.83 -0.55 0.00 -1.96 1.47 103.07 104.71 2k8f h GLY 6 Ca 0.29 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 2k8f h GLY 6 CO -0.08 0.15 -0.88 -1.80 0.00 0.00 0.00 176.54 173.93 2k8f h ASP 7 N 0.43 0.00 0.18 0.19 3.58 0.71 -2.35 116.42 119.16 2k8f h ASP 7 Ca 0.18 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.45 2k8f h ASP 7 Cb 0.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2k8f h ASP 7 CO -0.04 0.75 -0.66 -1.28 -2.88 0.00 0.00 179.24 175.13 2k8f h SER 8 N 0.00 0.52 -0.19 2.28 0.87 0.25 0.36 113.55 117.63 2k8f h SER 8 Ca -0.04 -0.31 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2k8f h SER 8 Cb 1.61 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2k8f h SER 8 CO 0.09 1.03 -0.35 0.03 -0.53 0.00 0.00 176.83 177.10 2k8f h ARG 9 N 0.32 0.70 -0.17 2.24 3.08 0.18 1.40 114.38 122.14 2k8f h ARG 9 Ca -0.02 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.54 2k8f h ARG 9 Cb 1.21 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2k8f h ARG 9 CO 0.12 0.95 -0.53 0.00 -1.07 0.00 0.00 179.97 179.43 2k8f h ARG 10 N 0.59 0.48 0.00 0.04 2.47 -1.17 -1.93 114.38 114.86 2k8f h ARG 10 Ca 0.06 -0.30 -0.15 0.00 -1.26 0.00 0.00 59.98 58.33 2k8f h ARG 10 Cb 0.87 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 2k8f h ARG 10 CO 0.08 0.89 -0.73 -0.07 0.56 0.00 0.00 179.97 180.70 2k8f h LEU 11 N 0.37 0.00 -0.15 3.04 3.38 0.11 -2.09 115.31 119.97 2k8f h LEU 11 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2k8f h LEU 11 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2k8f h LEU 11 CO 0.10 0.73 0.05 -1.28 0.09 0.00 0.00 178.44 178.13 2k8f h SER 12 N 0.00 0.22 0.74 -0.43 0.87 0.23 -2.04 113.55 113.14 2k8f h SER 12 Ca -0.01 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 2k8f h SER 12 Cb 1.43 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2k8f h SER 12 CO 0.10 0.36 -0.40 0.16 -0.53 0.00 0.00 176.83 176.51 2k8f h ILE 13 N 0.07 0.98 -0.56 2.23 3.07 -1.37 -2.27 117.51 119.66 2k8f h ILE 13 Ca 0.05 -1.53 -0.01 0.00 1.55 0.00 0.00 64.86 64.92 2k8f h ILE 13 Cb 0.21 1.91 -0.03 0.00 -0.27 0.00 0.00 36.82 38.64 2k8f h ILE 13 CO -0.00 0.39 0.32 -0.61 -1.05 0.00 0.00 178.15 177.20 2k8f h GLN 14 N 0.00 0.78 -0.31 0.16 4.15 -0.95 2.33 115.11 121.27 2k8f h GLN 14 Ca -0.00 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 59.18 2k8f h GLN 14 Cb 0.88 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2k8f h GLN 14 CO 0.05 0.58 -0.43 0.00 -1.93 0.00 0.00 178.83 177.11 2k8f h ARG 15 N 0.76 0.80 -0.48 1.69 3.08 -1.26 1.01 114.38 119.98 2k8f h ARG 15 Ca 0.20 -0.44 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 2k8f h ARG 15 Cb 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2k8f h ARG 15 CO -0.03 1.07 -0.21 0.00 -1.07 0.00 0.00 179.97 179.72 2k8f h ALA 16 N 0.87 0.72 -0.20 0.04 0.00 -0.86 -2.30 119.26 117.53 2k8f h ALA 16 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k8f h ALA 16 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k8f h ALA 16 CO 0.10 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.89 2k8f h ILE 17 N 0.84 1.20 -0.94 0.00 1.08 0.43 1.50 117.51 121.62 2k8f h ILE 17 Ca 0.11 -0.64 0.21 0.00 -0.39 0.00 0.00 64.86 64.15 2k8f h ILE 17 Cb 0.78 1.25 -0.08 0.00 -3.07 0.00 0.00 36.82 35.70 2k8f h ILE 17 CO 0.06 0.20 0.61 1.56 -0.69 0.00 0.00 178.15 179.90 2k8f h GLN 18 N 0.14 0.46 0.16 2.37 4.20 0.13 1.94 115.11 124.50 2k8f h GLN 18 Ca 0.06 -0.03 -0.36 0.00 0.06 0.00 0.00 58.65 58.39 2k8f h GLN 18 Cb 0.26 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2k8f h GLN 18 CO -0.00 0.30 -1.87 1.03 -0.67 0.00 0.00 178.83 177.63 2k8f h SER 19 N 0.47 0.51 -0.03 1.46 0.87 -0.85 -2.22 113.55 113.76 2k8f h SER 19 Ca 0.50 -0.95 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k8f h SER 19 Cb 1.16 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2k8f h SER 19 CO -0.22 1.82 0.01 0.25 -0.53 0.00 0.00 176.83 178.16 2k8f h LEU 20 N 0.07 0.04 -1.07 2.23 5.85 0.34 2.51 115.31 125.28 2k8f h LEU 20 Ca -0.38 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 2k8f h LEU 20 Cb 2.06 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 2k8f h LEU 20 CO 0.13 0.25 0.02 0.58 -0.34 0.00 0.00 178.44 179.08 2k8f h VAL 21 N -0.16 1.22 0.07 1.05 2.07 0.28 0.12 116.25 120.90 2k8f h VAL 21 Ca 0.01 -0.88 -0.17 0.00 0.82 0.00 0.00 66.70 66.48 2k8f h VAL 21 Cb 0.22 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2k8f h VAL 21 CO -0.00 0.31 -0.84 -0.74 0.02 0.00 0.00 177.57 176.32 2k8f h HIS 22 N 0.64 0.27 0.00 1.57 -0.00 -1.14 -3.26 115.15 113.24 2k8f h HIS 22 Ca 0.13 -0.20 -0.06 0.00 -0.00 0.00 0.00 60.37 60.25 2k8f h HIS 22 Cb 0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 2k8f h HIS 22 CO 0.02 1.32 -0.27 0.00 -0.00 0.00 0.00 177.93 179.00 2k8f h ALA 23 N -0.07 1.03 -0.01 5.26 0.00 0.43 2.33 119.26 128.22 2k8f h ALA 23 Ca -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k8f h ALA 23 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2k8f h ALA 23 CO 0.02 0.34 -0.30 0.00 0.00 0.00 0.00 179.25 179.31 2k8f n ALA 24 N -2.25 3.18 0.00 0.00 0.00 0.41 -4.17 120.51 117.68 2k8f n ALA 24 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2k8f n ALA 24 Cb 0.45 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2k8f n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k8f n GLN 25 N -0.38 2.19 -3.38 0.00 6.02 -1.11 -4.30 117.38 116.42 2k8f n GLN 25 Ca 0.12 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.67 2k8f n GLN 25 Cb 0.39 -0.86 -0.01 0.00 1.02 0.00 0.00 30.24 30.78 2k8f n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8f n ARG 27 N 2.73 2.99 -0.12 0.00 3.00 -1.26 -4.51 116.66 119.49 2k8f n ARG 27 Ca 0.23 -2.05 -0.12 0.00 -0.00 0.00 0.00 57.85 55.91 2k8f n ARG 27 Cb 0.39 -2.35 -0.03 0.00 0.00 0.00 0.00 32.46 30.48 2k8f n ARG 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2k8f h ASN 28 N 3.79 0.82 0.00 6.15 -0.73 -1.93 -3.47 115.58 120.21 2k8f h ASN 28 Ca 0.50 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2k8f h ASN 28 Cb 0.81 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.17 2k8f h ASN 28 CO 0.99 1.08 0.00 0.00 -0.37 0.00 0.00 177.43 179.13 2k8f n ALA 29 N -2.49 0.00 0.26 1.57 0.00 -1.26 -4.69 120.51 113.89 2k8f n ALA 29 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2k8f n ALA 29 Cb 0.45 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.13 2k8f n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k8f n ASN 30 N 1.69 2.97 -2.97 0.00 3.02 -1.26 -4.99 115.26 113.71 2k8f n ASN 30 Ca 0.00 -2.06 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 2k8f n ASN 30 Cb 0.00 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.73 2k8f n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8f n SER 32 N 2.15 1.44 -4.33 0.00 3.41 -1.26 -4.68 113.62 110.36 2k8f n SER 32 Ca 0.18 -2.06 -0.44 0.00 -0.26 0.00 0.00 58.87 56.30 2k8f n SER 32 Cb -0.02 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 2k8f n SER 32 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k8f s LEU 33 N -0.97 5.72 0.53 1.04 1.43 -1.26 -4.93 118.68 120.24 2k8f s LEU 33 Ca 0.15 -1.55 0.38 0.00 -1.03 0.00 0.00 54.13 52.09 2k8f s LEU 33 Cb 0.09 -2.14 1.56 0.00 0.03 0.00 0.00 46.19 45.72 2k8f s LEU 33 CO 0.09 -0.70 1.72 -0.65 0.23 0.00 0.00 176.35 177.04 2k8f h PRO 34 N 8.71 0.04 -0.37 1.29 0.11 -2.00 1.71 132.00 141.48 2k8f h PRO 34 Ca -0.27 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2k8f h PRO 34 Cb 1.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2k8f h PRO 34 CO 0.90 0.03 0.01 0.77 -0.21 0.00 0.00 178.00 179.50 2k8f h SER 35 N 0.04 0.55 0.21 -2.05 0.02 -1.96 -1.96 113.55 108.40 2k8f h SER 35 Ca 0.70 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 2k8f h SER 35 Cb 2.66 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 65.06 2k8f h SER 35 CO -0.07 0.61 -0.10 0.00 -1.14 0.00 0.00 176.83 176.12 2k8f h GLN 37 N -0.78 0.75 -0.00 0.00 4.20 -1.43 1.25 115.11 119.10 2k8f h GLN 37 Ca -0.03 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 2k8f h GLN 37 Cb 0.51 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2k8f h GLN 37 CO 0.05 0.50 -0.83 -0.22 -0.67 0.00 0.00 178.83 177.66 2k8f h LYS 38 N 0.78 0.12 -0.00 1.46 3.11 -1.36 -1.77 116.57 118.91 2k8f h LYS 38 Ca 0.51 -0.13 -0.20 0.00 -2.81 0.00 0.00 60.65 58.02 2k8f h LYS 38 Cb 0.76 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 2k8f h LYS 38 CO -0.28 0.88 -0.88 0.52 -2.81 0.00 0.00 179.45 176.89 2k8f h MET 39 N 0.07 0.26 -0.52 1.90 2.86 0.16 -1.91 114.93 117.76 2k8f h MET 39 Ca -0.03 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.28 2k8f h MET 39 Cb 1.44 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 2k8f h MET 39 CO 0.12 0.98 0.08 0.87 1.06 0.00 0.00 176.91 180.02 2k8f h LYS 40 N 0.15 0.86 -0.98 1.72 1.57 0.14 0.54 116.57 120.57 2k8f h LYS 40 Ca -0.05 -0.23 0.16 0.00 -1.87 0.00 0.00 60.65 58.66 2k8f h LYS 40 Cb 1.50 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.62 2k8f h LYS 40 CO 0.14 0.84 0.61 -0.09 -0.57 0.00 0.00 179.45 180.39 2k8f h ARG 41 N 0.74 0.78 -0.05 3.15 2.43 -1.15 2.87 114.38 123.15 2k8f h ARG 41 Ca 0.16 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2k8f h ARG 41 Cb 0.41 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k8f h ARG 41 CO 0.01 0.52 -0.13 0.28 -1.51 0.00 0.00 179.97 179.14 2k8f h VAL 42 N 0.81 1.45 0.04 0.20 2.07 -0.27 -1.73 116.25 118.81 2k8f h VAL 42 Ca 0.52 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2k8f h VAL 42 Cb 0.74 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2k8f h VAL 42 CO -0.29 0.42 -0.02 0.58 0.02 0.00 0.00 177.57 178.28 2k8f h VAL 43 N -0.37 1.34 -0.79 2.57 2.07 0.12 0.52 116.25 121.71 2k8f h VAL 43 Ca -0.00 -1.51 0.17 0.00 0.82 0.00 0.00 66.70 66.18 2k8f h VAL 43 Cb 0.74 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 2k8f h VAL 43 CO 0.03 0.37 0.53 1.56 0.02 0.00 0.00 177.57 180.07 2k8f h GLN 44 N -0.76 0.34 0.17 1.57 1.08 0.49 -0.72 115.11 117.28 2k8f h GLN 44 Ca -0.01 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 56.90 2k8f h GLN 44 Cb 0.65 -0.08 0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2k8f h GLN 44 CO 0.01 0.23 -1.29 1.25 -0.95 0.00 0.00 178.83 178.08 2k8f h HIS 45 N 0.35 0.64 -0.89 2.96 -0.00 -1.26 -3.00 115.15 113.95 2k8f h HIS 45 Ca 0.39 -0.46 0.19 0.00 -0.00 0.00 0.00 60.37 60.49 2k8f h HIS 45 Cb 1.01 -0.03 -0.11 0.00 -0.00 0.00 0.00 27.41 28.28 2k8f h HIS 45 CO -0.00 1.50 0.43 1.15 -0.00 0.00 0.00 177.93 181.01 2k8f h THR 46 N -0.17 0.58 0.03 6.26 2.02 0.15 0.13 112.91 121.91 2k8f h THR 46 Ca -0.25 -0.17 -0.21 0.00 0.77 0.00 0.00 66.41 66.54 2k8f h THR 46 Cb 1.86 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2k8f h THR 46 CO 0.15 0.09 -1.00 0.11 0.37 0.00 0.00 175.52 175.25 2k8f h LYS 47 N 0.51 0.09 -1.09 6.66 1.57 -1.47 -3.22 116.57 119.62 2k8f h LYS 47 Ca 0.53 -0.13 0.32 0.00 -1.87 0.00 0.00 60.65 59.49 2k8f h LYS 47 Cb 0.91 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 2k8f h LYS 47 CO -0.46 1.01 0.98 0.78 -0.57 0.00 0.00 179.45 181.19 2k8f h GLY 48 N 2.42 0.00 -5.31 3.86 0.00 -0.59 -3.36 103.07 100.08 2k8f h GLY 48 Ca -0.04 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.62 2k8f h GLY 48 CO 0.14 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.93 2k8f h LYS 50 N 6.00 0.37 -0.56 0.00 1.79 -1.85 -2.59 116.57 119.73 2k8f h LYS 50 Ca -0.37 -0.63 -0.08 0.00 -2.18 0.00 0.00 60.65 57.40 2k8f h LYS 50 Cb 1.18 0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 32.05 2k8f h LYS 50 CO 0.54 1.27 0.05 -0.09 -1.08 0.00 0.00 179.45 180.14 2k8f h ARG 51 N 0.10 0.95 -0.42 3.15 1.12 -1.94 -2.81 114.38 114.53 2k8f h ARG 51 Ca -0.24 -0.28 -0.05 0.00 -1.11 0.00 0.00 59.98 58.30 2k8f h ARG 51 Cb 2.07 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.91 2k8f h ARG 51 CO 0.21 0.94 0.05 -0.22 -3.11 0.00 0.00 179.97 177.84 2k8f h LYS 52 N 0.84 0.71 0.00 0.20 3.64 -1.86 -2.41 116.57 117.69 2k8f h LYS 52 Ca 0.16 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k8f h LYS 52 Cb 0.47 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2k8f h LYS 52 CO 0.02 0.76 0.28 1.15 -2.27 0.00 0.00 179.45 179.39 2k8f h THR 53 N 0.56 0.00 -0.17 1.00 2.02 -1.20 0.76 112.91 115.89 2k8f h THR 53 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2k8f h THR 53 Cb 0.41 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2k8f h THR 53 CO 0.01 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.49 2k8f n ASN 54 N -2.90 1.46 0.00 4.18 3.02 -0.93 -4.83 115.26 115.26 2k8f n ASN 54 Ca -0.02 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 2k8f n ASN 54 Cb 0.33 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 2k8f n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8f n GLY 55 N 1.07 0.56 0.41 7.41 0.00 0.26 -4.96 105.19 109.94 2k8f n GLY 55 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2k8f n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k8f h GLY 56 N 0.00 -0.58 -2.20 -0.02 0.00 -1.17 -3.28 103.07 95.82 2k8f h GLY 56 Ca 0.00 0.72 -0.48 0.00 0.00 0.00 0.00 47.33 47.57 2k8f h GLY 56 CO 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 176.54 176.53 2k8f h PRO 58 N 0.37 0.23 -0.36 0.00 0.11 -1.97 0.58 132.00 130.95 2k8f h PRO 58 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2k8f h PRO 58 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2k8f h PRO 58 CO 0.61 0.15 0.16 0.82 -0.21 0.00 0.00 178.00 179.53 2k8f h ILE 59 N 0.24 1.18 0.04 4.15 2.04 -1.93 1.01 117.51 124.23 2k8f h ILE 59 Ca 0.06 -0.54 -0.28 0.00 1.00 0.00 0.00 64.86 65.10 2k8f h ILE 59 Cb -0.03 0.86 0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2k8f h ILE 59 CO -0.01 0.20 -1.11 0.00 0.00 0.00 0.00 178.15 177.23 2k8f h LYS 61 N 0.34 0.30 -0.35 0.00 3.64 0.29 0.15 116.57 120.95 2k8f h LYS 61 Ca -0.15 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2k8f h LYS 61 Cb 1.77 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 2k8f h LYS 61 CO 0.22 0.37 -0.21 1.96 -2.27 0.00 0.00 179.45 179.52 2k8f h GLN 62 N 0.16 0.75 -0.60 1.90 4.20 0.10 -2.14 115.11 119.48 2k8f h GLN 62 Ca 0.07 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 2k8f h GLN 62 Cb 0.19 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2k8f h GLN 62 CO -0.00 0.96 0.21 1.25 -0.67 0.00 0.00 178.83 180.58 2k8f h LEU 63 N 0.53 0.85 -0.95 1.46 5.85 -0.80 0.42 115.31 122.66 2k8f h LEU 63 Ca 0.07 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2k8f h LEU 63 Cb 0.76 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2k8f h LEU 63 CO 0.06 0.81 0.63 0.40 -0.34 0.00 0.00 178.44 180.00 2k8f h ILE 64 N 0.84 1.23 -0.18 4.05 2.04 -0.66 0.84 117.51 125.66 2k8f h ILE 64 Ca 0.20 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 2k8f h ILE 64 Cb 0.25 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 2k8f h ILE 64 CO -0.01 0.23 -0.04 0.00 0.00 0.00 0.00 178.15 178.33 2k8f h ALA 65 N 1.35 0.25 -0.88 1.87 0.00 -0.70 0.64 119.26 121.80 2k8f h ALA 65 Ca 0.35 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2k8f h ALA 65 Cb -0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2k8f h ALA 65 CO -0.08 0.02 0.58 1.25 0.00 0.00 0.00 179.25 181.02 2k8f h LEU 66 N 0.07 0.99 -1.37 0.00 5.85 0.34 0.24 115.31 121.42 2k8f h LEU 66 Ca 0.05 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2k8f h LEU 66 Cb 0.48 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2k8f h LEU 66 CO 0.02 0.71 -0.08 0.00 -0.34 0.00 0.00 178.44 178.74 2k8f h ALA 67 N 1.34 1.48 -0.24 1.25 0.00 0.98 -2.29 119.26 121.78 2k8f h ALA 67 Ca 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k8f h ALA 67 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k8f h ALA 67 CO -0.08 0.37 0.13 0.00 0.00 0.00 0.00 179.25 179.67 2k8f h ALA 68 N 1.61 0.31 -0.30 0.00 0.00 0.37 1.00 119.26 122.24 2k8f h ALA 68 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k8f h ALA 68 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k8f h ALA 68 CO 0.02 -0.17 0.16 1.88 0.00 0.00 0.00 179.25 181.14 2k8f h TYR 69 N 0.28 0.42 -0.16 0.00 0.05 -0.96 -0.20 116.97 116.39 2k8f h TYR 69 Ca 0.08 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2k8f h TYR 69 Cb 0.06 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 2k8f h TYR 69 CO -0.04 0.35 -0.11 1.25 -1.05 0.00 0.00 178.16 178.56 2k8f h HIS 70 N 0.37 0.42 0.00 4.88 2.76 -1.20 -1.53 115.15 120.84 2k8f h HIS 70 Ca 0.11 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2k8f h HIS 70 Cb 0.07 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 2k8f h HIS 70 CO -0.03 0.71 -0.07 0.00 -1.30 0.00 0.00 177.93 177.23 2k8f h ALA 71 N 0.65 1.38 0.02 5.26 0.00 0.11 0.45 119.26 127.13 2k8f h ALA 71 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k8f h ALA 71 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k8f h ALA 71 CO 0.03 0.09 -0.01 0.87 0.00 0.00 0.00 179.25 180.24 2k8f h LYS 72 N 0.00 -0.02 -1.00 0.00 1.57 -0.90 -3.34 116.57 112.87 2k8f h LYS 72 Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2k8f h LYS 72 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 2k8f h LYS 72 CO 0.01 0.11 0.66 1.25 -0.57 0.00 0.00 179.45 180.91 2k8f h HIS 73 N -1.00 1.23 -2.57 -1.35 2.76 -1.16 -3.35 115.15 109.70 2k8f h HIS 73 Ca -0.00 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.66 2k8f h HIS 73 Cb 0.14 -0.41 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 2k8f h HIS 73 CO 0.04 0.71 1.17 0.00 -1.30 0.00 0.00 177.93 178.55 2k8f n GLN 75 N 8.82 0.40 -3.58 0.00 -0.06 -1.26 -4.70 117.38 117.00 2k8f n GLN 75 Ca 0.14 0.04 -0.37 0.00 -2.00 0.00 0.00 57.00 54.81 2k8f n GLN 75 Cb 0.50 -1.50 -0.07 0.00 -4.06 0.00 0.00 30.24 25.11 2k8f n GLN 75 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2k8f s GLU 76 N -2.55 4.08 -1.26 3.69 2.12 -1.26 -4.99 118.70 118.53 2k8f s GLU 76 Ca 0.26 0.12 -0.19 0.00 0.36 0.00 0.00 54.97 55.51 2k8f s GLU 76 Cb 0.18 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.23 2k8f s GLU 76 CO 0.40 0.40 1.81 -1.71 -0.54 0.00 0.00 175.26 175.62 2k8f n ASN 77 N 3.03 4.33 0.00 -1.70 5.15 -1.26 -4.87 115.26 119.94 2k8f n ASN 77 Ca -0.13 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 2k8f n ASN 77 Cb 0.52 -1.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.03 2k8f n ASN 77 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2k8f n LYS 78 N 8.31 0.00 0.00 1.20 4.76 -1.26 -4.91 118.16 126.26 2k8f n LYS 78 Ca 0.48 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 2k8f n LYS 78 Cb 0.46 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 2k8f n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k8f h PRO 80 N 0.00 0.58 -6.32 0.00 0.13 -1.91 -3.41 132.00 121.08 2k8f h PRO 80 Ca 0.00 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.53 2k8f h PRO 80 Cb 0.00 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 30.96 2k8f h PRO 80 CO 0.00 0.38 1.03 0.08 -0.23 0.00 0.00 178.00 179.26 2k8f s VAL 81 N -5.53 3.97 0.12 1.56 1.01 -1.26 -4.88 120.40 115.39 2k8f s VAL 81 Ca -0.09 1.10 -0.27 0.00 0.00 0.00 0.00 61.98 62.72 2k8f s VAL 81 Cb 0.18 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2k8f s VAL 81 CO 0.74 -0.40 1.62 -0.65 0.00 0.00 0.00 175.10 176.42 2k8f h PRO 82 N 9.83 -0.43 0.12 2.72 0.11 -1.93 -2.94 132.00 139.48 2k8f h PRO 82 Ca -0.29 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2k8f h PRO 82 Cb 1.12 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k8f h PRO 82 CO 1.02 -0.29 -0.06 0.74 -0.21 0.00 0.00 178.00 179.21 2k8f h PHE 83 N -0.44 -0.15 -0.97 0.65 0.04 -1.96 -2.35 116.94 111.76 2k8f h PHE 83 Ca 0.06 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.03 2k8f h PHE 83 Cb 0.53 0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.64 2k8f h PHE 83 CO -0.32 -0.05 0.61 0.00 -0.60 0.00 0.00 178.31 177.95 2k8f h LEU 85 N 0.61 1.07 -1.68 0.00 3.38 -1.28 0.80 115.31 118.22 2k8f h LEU 85 Ca 0.54 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2k8f h LEU 85 Cb 1.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2k8f h LEU 85 CO -0.29 1.00 -0.18 0.78 0.09 0.00 0.00 178.44 179.84 2k8f h ASN 86 N 1.08 0.00 0.02 -0.43 2.35 0.10 0.45 115.58 119.16 2k8f h ASN 86 Ca 0.23 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.62 2k8f h ASN 86 Cb 0.32 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 2k8f h ASN 86 CO -0.01 0.18 -2.01 -0.38 -1.65 0.00 0.00 177.43 173.56 2k8f n ILE 87 N -3.73 1.56 -0.04 2.81 5.41 -0.03 -2.92 119.36 122.42 2k8f n ILE 87 Ca -0.02 -0.32 -0.16 0.00 1.00 0.00 0.00 62.75 63.25 2k8f n ILE 87 Cb 0.29 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.30 2k8f n ILE 87 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2k8f h LYS 88 N -0.73 0.82 0.05 0.38 1.79 0.60 -3.25 116.57 116.24 2k8f h LYS 88 Ca -0.53 -0.62 -0.25 0.00 -2.18 0.00 0.00 60.65 57.08 2k8f h LYS 88 Cb 1.60 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.34 2k8f h LYS 88 CO -0.24 1.23 -1.17 0.37 -1.08 0.00 0.00 179.45 178.56 2k8f h GLN 89 N 0.59 0.11 0.00 3.15 4.15 -0.23 -3.50 115.11 119.38 2k8f h GLN 89 Ca -0.03 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.20 2k8f h GLN 89 Cb 1.32 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2k8f h GLN 89 CO 0.15 1.05 0.00 1.17 -1.93 0.00 0.00 178.83 179.27