#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 1.25 -0.49 0.00 1.35 -2.08 -3.45 112.91 109.49 2k8f h THR 2 Ca 0.00 -1.14 -0.37 0.00 -0.55 0.00 0.00 66.41 64.36 2k8f h THR 2 Cb 0.00 1.10 0.03 0.00 -1.73 0.00 0.00 68.15 67.55 2k8f h THR 2 CO 0.00 0.38 -0.06 0.00 -0.25 0.00 0.00 175.52 175.59 2k8f n GLN 3 N -4.17 0.00 -3.39 4.72 6.02 -1.26 -4.91 117.38 114.39 2k8f n GLN 3 Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 2k8f n GLN 3 Cb 0.36 -0.65 0.02 0.00 1.02 0.00 0.00 30.24 30.98 2k8f n GLN 3 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k8f n SER 4 N 0.81 -1.40 -0.11 1.08 3.41 -1.26 -4.95 113.62 111.20 2k8f n SER 4 Ca 0.09 -1.74 0.13 0.00 -0.26 0.00 0.00 58.87 57.10 2k8f n SER 4 Cb 0.07 2.28 0.50 0.00 -0.26 0.00 0.00 64.21 66.80 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2k8f h PRO 5 N 0.00 0.40 -0.40 4.33 0.11 -1.97 1.09 132.00 135.56 2k8f h PRO 5 Ca -0.22 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.90 2k8f h PRO 5 Cb 0.97 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 2k8f h PRO 5 CO 0.29 0.26 0.27 0.78 -0.21 0.00 0.00 178.00 179.40 2k8f h GLY 6 N 0.41 0.48 1.84 -0.55 0.00 -1.94 1.23 103.07 104.54 2k8f h GLY 6 Ca 0.31 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.32 2k8f h GLY 6 CO -0.09 0.15 -0.78 -1.80 0.00 0.00 0.00 176.54 174.02 2k8f h ASP 7 N 0.42 0.00 0.23 0.19 1.82 0.72 -2.39 116.42 117.42 2k8f h ASP 7 Ca 0.16 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.63 2k8f h ASP 7 Cb 0.13 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2k8f h ASP 7 CO -0.04 0.66 -0.67 -1.28 -1.61 0.00 0.00 179.24 176.30 2k8f h SER 8 N 0.00 0.47 -0.03 2.28 0.87 0.26 0.30 113.55 117.70 2k8f h SER 8 Ca -0.03 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.09 2k8f h SER 8 Cb 1.53 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 2k8f h SER 8 CO 0.08 1.00 -0.48 0.03 -0.53 0.00 0.00 176.83 176.93 2k8f h ARG 9 N 0.29 0.58 -0.16 2.24 3.08 0.13 1.21 114.38 121.75 2k8f h ARG 9 Ca -0.02 -0.33 -0.15 0.00 0.07 0.00 0.00 59.98 59.54 2k8f h ARG 9 Cb 1.22 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2k8f h ARG 9 CO 0.11 0.94 -0.55 0.00 -1.07 0.00 0.00 179.97 179.40 2k8f h ARG 10 N 0.46 0.48 0.00 0.04 2.47 -1.20 -2.08 114.38 114.55 2k8f h ARG 10 Ca 0.02 -0.30 -0.12 0.00 -1.26 0.00 0.00 59.98 58.32 2k8f h ARG 10 Cb 1.01 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 2k8f h ARG 10 CO 0.09 0.91 -0.56 -0.07 0.56 0.00 0.00 179.97 180.90 2k8f h LEU 11 N 0.37 0.00 -0.15 3.04 3.38 -0.09 -2.27 115.31 119.59 2k8f h LEU 11 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2k8f h LEU 11 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2k8f h LEU 11 CO 0.10 0.56 0.03 -1.28 0.09 0.00 0.00 178.44 177.94 2k8f h SER 12 N 0.00 0.23 0.43 -0.43 0.87 0.19 -2.12 113.55 112.72 2k8f h SER 12 Ca -0.01 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 2k8f h SER 12 Cb 1.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 2k8f h SER 12 CO 0.07 0.42 -0.56 0.16 -0.53 0.00 0.00 176.83 176.39 2k8f h ILE 13 N 0.04 1.38 -0.92 2.23 3.07 -1.40 -2.32 117.51 119.58 2k8f h ILE 13 Ca 0.05 -1.89 0.01 0.00 1.55 0.00 0.00 64.86 64.57 2k8f h ILE 13 Cb 0.28 1.97 -0.05 0.00 -0.27 0.00 0.00 36.82 38.75 2k8f h ILE 13 CO 0.00 0.55 0.60 -0.61 -1.05 0.00 0.00 178.15 177.64 2k8f h GLN 14 N 0.10 1.23 -0.22 0.16 4.15 -1.18 2.54 115.11 121.89 2k8f h GLN 14 Ca -0.00 -0.08 -0.19 0.00 0.77 0.00 0.00 58.65 59.14 2k8f h GLN 14 Cb 1.01 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2k8f h GLN 14 CO 0.08 0.82 -0.63 0.00 -1.93 0.00 0.00 178.83 177.17 2k8f h ARG 15 N 1.26 0.77 -0.41 1.69 3.08 -1.29 0.99 114.38 120.46 2k8f h ARG 15 Ca 0.34 -0.54 -0.15 0.00 0.07 0.00 0.00 59.98 59.69 2k8f h ARG 15 Cb -0.12 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2k8f h ARG 15 CO -0.07 1.16 -0.34 0.00 -1.07 0.00 0.00 179.97 179.65 2k8f h ALA 16 N 0.71 0.61 -0.10 0.04 0.00 -0.81 -2.26 119.26 117.45 2k8f h ALA 16 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2k8f h ALA 16 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k8f h ALA 16 CO 0.13 0.68 0.01 0.82 0.00 0.00 0.00 179.25 180.89 2k8f h ILE 17 N 0.79 1.24 -0.89 0.00 1.08 0.45 1.35 117.51 121.53 2k8f h ILE 17 Ca 0.07 -0.75 0.21 0.00 -0.39 0.00 0.00 64.86 64.00 2k8f h ILE 17 Cb 0.93 1.55 -0.06 0.00 -3.07 0.00 0.00 36.82 36.17 2k8f h ILE 17 CO 0.09 0.21 0.60 1.56 -0.69 0.00 0.00 178.15 179.92 2k8f h GLN 18 N -0.09 0.35 0.15 2.37 4.20 0.11 1.95 115.11 124.15 2k8f h GLN 18 Ca 0.03 -0.02 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 2k8f h GLN 18 Cb 0.33 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2k8f h GLN 18 CO 0.00 0.23 -1.80 1.03 -0.67 0.00 0.00 178.83 177.63 2k8f h SER 19 N 0.36 0.48 0.15 1.46 0.87 -0.94 -2.23 113.55 113.69 2k8f h SER 19 Ca 0.46 -0.92 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 2k8f h SER 19 Cb 1.22 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2k8f h SER 19 CO -0.16 1.79 -0.07 0.25 -0.53 0.00 0.00 176.83 178.11 2k8f h LEU 20 N -0.00 -0.17 -0.80 2.23 5.85 0.32 2.33 115.31 125.08 2k8f h LEU 20 Ca -0.37 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 2k8f h LEU 20 Cb 2.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 43.04 2k8f h LEU 20 CO 0.11 0.07 0.45 0.58 -0.34 0.00 0.00 178.44 179.31 2k8f h VAL 21 N -0.41 1.23 -0.13 1.05 2.07 0.29 0.64 116.25 121.00 2k8f h VAL 21 Ca -0.02 -0.55 -0.20 0.00 0.82 0.00 0.00 66.70 66.75 2k8f h VAL 21 Cb 0.32 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2k8f h VAL 21 CO 0.03 0.25 -0.68 -0.74 0.02 0.00 0.00 177.57 176.45 2k8f h HIS 22 N 1.10 0.93 0.00 1.57 -0.00 -1.18 -2.72 115.15 114.86 2k8f h HIS 22 Ca 0.28 -0.42 -0.08 0.00 -0.00 0.00 0.00 60.37 60.16 2k8f h HIS 22 Cb 0.01 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2k8f h HIS 22 CO -0.00 1.23 -0.37 0.00 -0.00 0.00 0.00 177.93 178.79 2k8f h ALA 23 N 0.51 0.94 -0.01 5.26 0.00 0.42 2.14 119.26 128.54 2k8f h ALA 23 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k8f h ALA 23 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k8f h ALA 23 CO 0.14 0.47 -0.48 0.00 0.00 0.00 0.00 179.25 179.38 2k8f n ALA 24 N -2.27 3.56 0.00 0.00 0.00 0.22 -4.32 120.51 117.71 2k8f n ALA 24 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2k8f n ALA 24 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.87 2.94 -3.38 0.00 6.02 -1.03 -4.16 117.38 116.91 2k8f n GLN 25 Ca 0.09 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.64 2k8f n GLN 25 Cb 0.37 -0.89 -0.01 0.00 1.02 0.00 0.00 30.24 30.73 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 3.25 -0.16 0.00 3.00 -1.26 -4.53 116.66 119.69 2k8f n ARG 27 Ca 0.23 -2.18 -0.11 0.00 -0.00 0.00 0.00 57.85 55.79 2k8f n ARG 27 Cb 0.39 -2.45 -0.01 0.00 0.00 0.00 0.00 32.46 30.40 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 4.06 0.89 0.00 6.15 -0.73 -1.91 -3.47 115.58 120.57 2k8f h ASN 28 Ca 0.58 -0.36 0.00 0.00 1.87 0.00 0.00 56.30 58.39 2k8f h ASN 28 Cb 0.69 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2k8f h ASN 28 CO 1.16 1.05 0.00 0.00 -0.37 0.00 0.00 177.43 179.27 2k8f n ALA 29 N -2.47 0.00 0.19 1.57 0.00 -1.26 -4.69 120.51 113.85 2k8f n ALA 29 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2k8f n ALA 29 Cb 0.38 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.08 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 1.70 3.12 -2.86 0.00 3.02 -1.26 -4.99 115.26 113.99 2k8f n ASN 30 Ca 0.00 -2.12 -0.40 0.00 -0.03 0.00 0.00 54.58 52.03 2k8f n ASN 30 Cb 0.00 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 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 2.06 1.04 -4.30 0.00 3.41 -1.26 -4.65 113.62 109.92 2k8f n SER 32 Ca 0.17 -2.04 -0.44 0.00 -0.26 0.00 0.00 58.87 56.31 2k8f n SER 32 Cb -0.02 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 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 -0.92 5.84 0.57 1.04 1.43 -1.26 -4.93 118.68 120.45 2k8f s LEU 33 Ca 0.10 -1.68 0.36 0.00 -1.03 0.00 0.00 54.13 51.88 2k8f s LEU 33 Cb 0.06 -2.13 1.44 0.00 0.03 0.00 0.00 46.19 45.59 2k8f s LEU 33 CO 0.06 -0.74 1.67 -0.65 0.23 0.00 0.00 176.35 176.92 2k8f h PRO 34 N 8.71 0.00 -0.26 1.29 0.11 -2.00 1.80 132.00 141.64 2k8f h PRO 34 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 2k8f h PRO 34 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2k8f h PRO 34 CO 0.93 0.00 -0.19 0.77 -0.21 0.00 0.00 178.00 179.30 2k8f h SER 35 N 0.00 0.46 0.22 -2.05 0.02 -1.95 -2.20 113.55 108.05 2k8f h SER 35 Ca 0.55 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 2k8f h SER 35 Cb 2.49 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.91 2k8f h SER 35 CO -0.01 0.67 -0.11 0.00 -1.14 0.00 0.00 176.83 176.25 2k8f h GLN 37 N -0.76 0.71 0.00 0.00 4.20 -1.47 1.11 115.11 118.91 2k8f h GLN 37 Ca -0.03 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 2k8f h GLN 37 Cb 0.50 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2k8f h GLN 37 CO 0.05 0.47 -0.86 -0.22 -0.67 0.00 0.00 178.83 177.60 2k8f h LYS 38 N 0.74 0.06 -0.01 1.46 3.11 -1.38 -2.09 116.57 118.45 2k8f h LYS 38 Ca 0.51 -0.07 -0.20 0.00 -2.81 0.00 0.00 60.65 58.08 2k8f h LYS 38 Cb 0.81 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.05 2k8f h LYS 38 CO -0.27 0.88 -0.88 0.52 -2.81 0.00 0.00 179.45 176.89 2k8f h MET 39 N 0.03 0.27 -0.53 1.90 2.86 0.17 -1.95 114.93 117.67 2k8f h MET 39 Ca -0.02 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 2k8f h MET 39 Cb 1.51 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 2k8f h MET 39 CO 0.12 0.99 0.10 0.87 1.06 0.00 0.00 176.91 180.05 2k8f h LYS 40 N 0.16 0.88 -1.00 1.72 1.57 0.11 0.61 116.57 120.62 2k8f h LYS 40 Ca -0.05 -0.23 0.15 0.00 -1.87 0.00 0.00 60.65 58.65 2k8f h LYS 40 Cb 1.50 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 33.61 2k8f h LYS 40 CO 0.14 0.85 0.62 -0.09 -0.57 0.00 0.00 179.45 180.40 2k8f h ARG 41 N 0.77 0.85 -0.08 3.15 2.43 -1.20 3.12 114.38 123.42 2k8f h ARG 41 Ca 0.16 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2k8f h ARG 41 Cb 0.39 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k8f h ARG 41 CO 0.01 0.56 -0.16 0.28 -1.51 0.00 0.00 179.97 179.15 2k8f h VAL 42 N 0.88 1.41 0.10 0.20 2.07 -0.31 -1.51 116.25 119.08 2k8f h VAL 42 Ca 0.52 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2k8f h VAL 42 Cb 0.67 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2k8f h VAL 42 CO -0.30 0.41 -0.05 0.58 0.02 0.00 0.00 177.57 178.23 2k8f h VAL 43 N -0.23 1.07 -0.88 2.57 2.07 0.14 0.65 116.25 121.63 2k8f h VAL 43 Ca 0.00 -1.30 0.23 0.00 0.82 0.00 0.00 66.70 66.45 2k8f h VAL 43 Cb 0.74 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 2k8f h VAL 43 CO 0.03 0.28 0.61 1.56 0.02 0.00 0.00 177.57 180.08 2k8f h GLN 44 N -0.81 0.20 0.09 1.57 1.08 0.55 -0.42 115.11 117.37 2k8f h GLN 44 Ca -0.01 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 56.98 2k8f h GLN 44 Cb 0.57 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2k8f h GLN 44 CO 0.02 0.14 -0.94 1.25 -0.95 0.00 0.00 178.83 178.35 2k8f h HIS 45 N 0.21 0.33 -1.04 2.96 -0.00 -1.19 -3.17 115.15 113.25 2k8f h HIS 45 Ca 0.44 -0.24 0.27 0.00 -0.00 0.00 0.00 60.37 60.84 2k8f h HIS 45 Cb 1.40 -0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 28.69 2k8f h HIS 45 CO -0.00 1.37 0.65 1.15 -0.00 0.00 0.00 177.93 181.09 2k8f h THR 46 N -0.55 0.50 0.00 6.26 2.02 0.19 0.40 112.91 121.73 2k8f h THR 46 Ca -0.20 -0.15 -0.19 0.00 0.77 0.00 0.00 66.41 66.63 2k8f h THR 46 Cb 1.52 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2k8f h THR 46 CO 0.04 0.08 -0.91 0.11 0.37 0.00 0.00 175.52 175.21 2k8f h LYS 47 N 0.44 0.00 -0.87 6.66 1.57 -1.43 -3.24 116.57 119.70 2k8f h LYS 47 Ca 0.63 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.66 2k8f h LYS 47 Cb 1.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 2k8f h LYS 47 CO -0.38 0.91 0.84 0.78 -0.57 0.00 0.00 179.45 181.03 2k8f h GLY 48 N 3.09 0.00 -5.28 3.86 0.00 -0.16 -3.37 103.07 101.21 2k8f h GLY 48 Ca -0.01 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.65 2k8f h GLY 48 CO 0.12 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.91 2k8f h LYS 50 N 5.93 0.40 -0.66 0.00 1.79 -1.86 -2.63 116.57 119.54 2k8f h LYS 50 Ca -0.38 -0.68 -0.08 0.00 -2.18 0.00 0.00 60.65 57.33 2k8f h LYS 50 Cb 1.18 0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 32.06 2k8f h LYS 50 CO 0.54 1.30 0.09 -0.09 -1.08 0.00 0.00 179.45 180.21 2k8f h ARG 51 N 0.11 1.11 -0.32 3.15 1.12 -1.95 -2.79 114.38 114.81 2k8f h ARG 51 Ca -0.26 -0.31 -0.04 0.00 -1.11 0.00 0.00 59.98 58.26 2k8f h ARG 51 Cb 2.09 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.91 2k8f h ARG 51 CO 0.21 1.03 0.04 -0.22 -3.11 0.00 0.00 179.97 177.92 2k8f h LYS 52 N 1.03 0.54 0.00 0.20 3.64 -1.87 -2.38 116.57 117.74 2k8f h LYS 52 Ca 0.20 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2k8f h LYS 52 Cb 0.47 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k8f h LYS 52 CO 0.02 0.64 0.20 2.41 -2.27 0.00 0.00 179.45 180.45 2k8f n THR 53 N -4.59 0.95 0.20 1.00 -1.04 -0.99 0.73 114.28 110.54 2k8f n THR 53 Ca -0.02 0.66 0.11 0.00 -2.04 0.00 0.00 64.05 62.76 2k8f n THR 53 Cb 0.23 -1.66 0.27 0.00 -1.82 0.00 0.00 70.33 67.34 2k8f n THR 53 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2k8f n ASN 54 N -1.85 3.36 0.00 8.00 3.02 -0.92 -4.88 115.26 121.99 2k8f n ASN 54 Ca -0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2k8f n ASN 54 Cb 0.21 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.50 0.57 0.39 7.41 0.00 0.22 -4.96 105.19 110.33 2k8f n GLY 55 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.01 -2.01 -0.02 0.00 -1.19 -3.29 103.07 95.55 2k8f h GLY 56 Ca 0.00 0.81 -0.48 0.00 0.00 0.00 0.00 47.33 47.66 2k8f h GLY 56 CO 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 176.54 176.55 2k8f h PRO 58 N 0.20 0.13 -0.18 0.00 0.11 -1.97 0.50 132.00 130.80 2k8f h PRO 58 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k8f h PRO 58 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k8f h PRO 58 CO 0.61 0.11 0.06 0.82 -0.21 0.00 0.00 178.00 179.39 2k8f h ILE 59 N 0.13 1.18 -0.12 4.15 2.04 -1.93 1.02 117.51 123.98 2k8f h ILE 59 Ca 0.04 -0.55 -0.15 0.00 1.00 0.00 0.00 64.86 65.19 2k8f h ILE 59 Cb 0.02 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2k8f h ILE 59 CO -0.00 0.17 -0.52 0.00 0.00 0.00 0.00 178.15 177.80 2k8f h LYS 61 N 0.20 0.63 -0.33 0.00 3.64 0.08 0.50 116.57 121.29 2k8f h LYS 61 Ca -0.03 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 2k8f h LYS 61 Cb 1.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2k8f h LYS 61 CO 0.11 0.46 -0.17 0.37 -2.27 0.00 0.00 179.45 177.95 2k8f h GLN 62 N 0.62 0.70 -0.56 1.90 4.15 0.11 -2.14 115.11 119.89 2k8f h GLN 62 Ca 0.17 -0.31 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 2k8f h GLN 62 Cb -0.01 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2k8f h GLN 62 CO -0.03 0.91 0.17 1.25 -1.93 0.00 0.00 178.83 179.20 2k8f h LEU 63 N 0.47 0.82 -0.82 -2.39 5.85 0.33 0.32 115.31 119.89 2k8f h LEU 63 Ca 0.07 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2k8f h LEU 63 Cb 0.71 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2k8f h LEU 63 CO 0.05 0.82 0.51 0.40 -0.34 0.00 0.00 178.44 179.88 2k8f h ILE 64 N 0.78 1.22 -0.22 4.05 2.04 0.03 0.89 117.51 126.31 2k8f h ILE 64 Ca 0.18 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2k8f h ILE 64 Cb 0.30 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2k8f h ILE 64 CO -0.00 0.23 -0.03 0.00 0.00 0.00 0.00 178.15 178.34 2k8f h ALA 65 N 1.28 0.30 -0.89 1.87 0.00 -0.95 0.75 119.26 121.62 2k8f h ALA 65 Ca 0.30 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2k8f h ALA 65 Cb -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2k8f h ALA 65 CO -0.06 0.06 0.58 1.25 0.00 0.00 0.00 179.25 181.08 2k8f h LEU 66 N 0.15 1.00 -1.07 0.00 5.85 0.11 0.10 115.31 121.45 2k8f h LEU 66 Ca 0.06 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2k8f h LEU 66 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2k8f h LEU 66 CO 0.02 0.71 0.05 0.00 -0.34 0.00 0.00 178.44 178.88 2k8f h ALA 67 N 1.34 1.24 -0.37 1.25 0.00 0.12 -2.33 119.26 120.50 2k8f h ALA 67 Ca 0.33 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2k8f h ALA 67 Cb -0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2k8f h ALA 67 CO -0.09 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.71 2k8f h ALA 68 N 1.38 0.36 -0.65 0.00 0.00 0.31 1.17 119.26 121.84 2k8f h ALA 68 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2k8f h ALA 68 Cb 0.34 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2k8f h ALA 68 CO 0.01 -0.37 0.33 1.88 0.00 0.00 0.00 179.25 181.10 2k8f h TYR 69 N 0.14 0.92 -0.21 0.00 0.05 -1.06 -1.28 116.97 115.52 2k8f h TYR 69 Ca 0.18 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 2k8f h TYR 69 Cb 0.24 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2k8f h TYR 69 CO -0.23 0.67 -0.06 1.25 -1.05 0.00 0.00 178.16 178.74 2k8f h HIS 70 N 0.89 0.47 0.00 4.88 2.76 -0.72 -2.09 115.15 121.34 2k8f h HIS 70 Ca 0.23 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2k8f h HIS 70 Cb 0.08 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2k8f h HIS 70 CO -0.00 0.67 -0.04 0.00 -1.30 0.00 0.00 177.93 177.26 2k8f h ALA 71 N 0.73 1.23 0.09 5.26 0.00 0.15 0.36 119.26 127.08 2k8f h ALA 71 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k8f h ALA 71 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k8f h ALA 71 CO 0.02 0.04 -0.04 0.87 0.00 0.00 0.00 179.25 180.14 2k8f h LYS 72 N 0.00 -0.12 -0.51 0.00 1.57 -0.94 -3.33 116.57 113.24 2k8f h LYS 72 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2k8f h LYS 72 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2k8f h LYS 72 CO 0.00 0.31 0.30 1.25 -0.57 0.00 0.00 179.45 180.75 2k8f h HIS 73 N -0.95 0.68 -2.59 -1.35 2.76 -1.01 -3.35 115.15 109.35 2k8f h HIS 73 Ca -0.01 -0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.61 2k8f h HIS 73 Cb 0.49 -0.22 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 2k8f h HIS 73 CO 0.10 0.49 1.10 0.00 -1.30 0.00 0.00 177.93 178.32 2k8f n GLN 75 N 8.97 1.01 -4.42 0.00 -0.06 -1.26 -4.66 117.38 116.96 2k8f n GLN 75 Ca 0.09 -0.22 -0.32 0.00 -2.00 0.00 0.00 57.00 54.56 2k8f n GLN 75 Cb 0.49 -1.50 -0.10 0.00 -4.06 0.00 0.00 30.24 25.08 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 -2.14 2.56 -1.03 3.69 2.12 -1.26 -5.04 118.70 117.59 2k8f s GLU 76 Ca 0.41 -0.72 -0.22 0.00 0.36 0.00 0.00 54.97 54.79 2k8f s GLU 76 Cb 0.21 -2.51 0.06 0.00 0.26 0.00 0.00 34.13 32.15 2k8f s GLU 76 CO 0.39 0.60 1.45 1.21 -0.54 0.00 0.00 175.26 178.37 2k8f s ASN 77 N -1.48 6.53 0.16 -1.70 2.47 -1.26 -4.87 114.94 114.80 2k8f s ASN 77 Ca 0.18 -1.56 -0.30 0.00 0.42 0.00 0.00 52.86 51.59 2k8f s ASN 77 Cb -0.11 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.08 2k8f s ASN 77 CO 0.08 -1.46 1.54 0.11 -3.72 0.00 0.00 177.10 173.66 2k8f h LYS 78 N 9.58 -0.01 0.00 0.43 1.79 -1.93 -3.47 116.57 122.96 2k8f h LYS 78 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2k8f h LYS 78 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2k8f h LYS 78 CO 1.41 -0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.78 2k8f n PRO 80 N 0.00 0.55 -3.28 0.00 -0.04 -1.26 -4.61 135.00 126.36 2k8f n PRO 80 Ca 0.00 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.03 2k8f n PRO 80 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2k8f n PRO 80 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k8f s VAL 81 N -2.41 5.07 0.17 0.52 1.01 -1.26 -4.67 120.40 118.84 2k8f s VAL 81 Ca 0.32 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 2k8f s VAL 81 Cb 0.19 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2k8f s VAL 81 CO 0.41 -0.69 1.67 -0.65 0.00 0.00 0.00 175.10 175.84 2k8f h PRO 82 N 8.87 0.03 -0.50 2.72 0.11 -1.91 -2.62 132.00 138.70 2k8f h PRO 82 Ca -0.28 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.86 2k8f h PRO 82 Cb 1.10 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2k8f h PRO 82 CO 0.92 0.02 0.27 0.74 -0.21 0.00 0.00 178.00 179.74 2k8f h PHE 83 N 0.03 0.50 -0.55 0.65 0.04 -1.97 -0.14 116.94 115.49 2k8f h PHE 83 Ca 0.22 0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.07 2k8f h PHE 83 Cb 0.33 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.27 2k8f h PHE 83 CO -0.36 0.26 0.25 0.00 -0.60 0.00 0.00 178.31 177.86 2k8f h LEU 85 N 0.46 0.56 -0.92 0.00 3.38 -1.18 1.25 115.31 118.87 2k8f h LEU 85 Ca 0.26 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2k8f h LEU 85 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k8f h LEU 85 CO -0.22 0.56 -0.22 0.78 0.09 0.00 0.00 178.44 179.43 2k8f h ASN 86 N 0.60 0.53 0.00 -0.43 -0.26 0.93 -1.20 115.58 115.76 2k8f h ASN 86 Ca 0.14 -0.17 -0.30 0.00 -0.56 0.00 0.00 56.30 55.41 2k8f h ASN 86 Cb 0.21 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.28 2k8f h ASN 86 CO -0.01 0.76 -1.76 -0.38 -1.06 0.00 0.00 177.43 174.98 2k8f n ILE 87 N -4.13 1.52 -0.11 2.81 5.41 -0.13 -3.34 119.36 121.39 2k8f n ILE 87 Ca -0.00 -0.15 -0.14 0.00 1.00 0.00 0.00 62.75 63.46 2k8f n ILE 87 Cb 0.39 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 37.27 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 -1.00 0.91 0.00 0.38 1.79 0.14 -3.21 116.57 115.58 2k8f h LYS 88 Ca -0.45 -0.50 -0.22 0.00 -2.18 0.00 0.00 60.65 57.31 2k8f h LYS 88 Cb 1.35 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 2k8f h LYS 88 CO -0.27 1.15 -1.10 0.37 -1.08 0.00 0.00 179.45 178.51 2k8f h GLN 89 N 0.71 0.00 0.00 3.15 4.15 -1.27 -3.50 115.11 118.36 2k8f h GLN 89 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k8f h GLN 89 Cb 1.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.69 2k8f h GLN 89 CO 0.10 0.86 0.00 1.17 -1.93 0.00 0.00 178.83 179.03