#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 -0.34 0.00 1.35 -2.08 -3.46 112.91 109.63 2k8f h THR 2 Ca 0.00 -1.18 -0.25 0.00 -0.55 0.00 0.00 66.41 64.43 2k8f h THR 2 Cb 0.00 1.64 0.02 0.00 -1.73 0.00 0.00 68.15 68.08 2k8f h THR 2 CO 0.00 0.34 -0.06 0.00 -0.25 0.00 0.00 175.52 175.55 2k8f n GLN 3 N -4.13 0.00 -3.19 4.72 6.02 -1.26 -4.93 117.38 114.61 2k8f n GLN 3 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 2k8f n GLN 3 Cb 0.38 -0.44 0.02 0.00 1.02 0.00 0.00 30.24 31.22 2k8f n GLN 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2k8f n SER 4 N 0.57 -1.32 -0.14 1.08 2.88 -1.26 -4.95 113.62 110.48 2k8f n SER 4 Ca 0.07 -1.72 0.16 0.00 -1.33 0.00 0.00 58.87 56.04 2k8f n SER 4 Cb 0.05 2.15 0.53 0.00 -0.75 0.00 0.00 64.21 66.18 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2k8f h PRO 5 N 0.00 0.36 -0.50 -1.46 0.11 -1.97 1.29 132.00 129.82 2k8f h PRO 5 Ca -0.20 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.95 2k8f h PRO 5 Cb 0.88 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 2k8f h PRO 5 CO 0.27 0.24 0.34 0.78 -0.21 0.00 0.00 178.00 179.41 2k8f h GLY 6 N 0.37 0.53 1.78 -0.55 0.00 -1.95 1.48 103.07 104.73 2k8f h GLY 6 Ca 0.35 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 2k8f h GLY 6 CO -0.10 0.13 -0.86 -1.80 0.00 0.00 0.00 176.54 173.90 2k8f h ASP 7 N 0.42 0.00 0.39 0.19 1.82 0.12 -2.37 116.42 117.00 2k8f h ASP 7 Ca 0.22 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.70 2k8f h ASP 7 Cb 0.34 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 2k8f h ASP 7 CO -0.06 0.69 -0.68 -1.28 -1.61 0.00 0.00 179.24 176.30 2k8f h SER 8 N 0.00 0.30 0.04 2.28 0.87 0.23 0.32 113.55 117.60 2k8f h SER 8 Ca -0.05 -0.19 -0.16 0.00 -1.23 0.00 0.00 61.79 60.16 2k8f h SER 8 Cb 1.57 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 2k8f h SER 8 CO 0.08 0.89 -0.56 0.03 -0.53 0.00 0.00 176.83 176.74 2k8f h ARG 9 N 0.18 0.54 -0.10 2.24 3.08 0.18 1.05 114.38 121.56 2k8f h ARG 9 Ca -0.02 -0.35 -0.17 0.00 0.07 0.00 0.00 59.98 59.52 2k8f h ARG 9 Cb 1.22 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 2k8f h ARG 9 CO 0.11 0.96 -0.65 0.00 -1.07 0.00 0.00 179.97 179.32 2k8f h ARG 10 N 0.41 0.37 0.00 0.04 2.47 -1.17 -2.19 114.38 114.32 2k8f h ARG 10 Ca 0.00 -0.28 -0.15 0.00 -1.26 0.00 0.00 59.98 58.30 2k8f h ARG 10 Cb 1.11 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.46 2k8f h ARG 10 CO 0.11 0.90 -0.70 -0.07 0.56 0.00 0.00 179.97 180.77 2k8f h LEU 11 N 0.27 0.00 -0.13 3.04 3.38 -0.10 -1.97 115.31 119.80 2k8f h LEU 11 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k8f h LEU 11 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2k8f h LEU 11 CO 0.11 0.70 0.04 -1.28 0.09 0.00 0.00 178.44 178.10 2k8f h SER 12 N 0.00 0.19 0.67 -0.43 0.87 0.14 -2.06 113.55 112.94 2k8f h SER 12 Ca -0.01 -0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 2k8f h SER 12 Cb 1.45 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 2k8f h SER 12 CO 0.09 0.35 -0.47 0.16 -0.53 0.00 0.00 176.83 176.43 2k8f h ILE 13 N 0.03 1.17 -0.92 2.23 3.07 -1.42 -2.28 117.51 119.38 2k8f h ILE 13 Ca 0.04 -1.72 -0.01 0.00 1.55 0.00 0.00 64.86 64.72 2k8f h ILE 13 Cb 0.23 1.97 -0.04 0.00 -0.27 0.00 0.00 36.82 38.71 2k8f h ILE 13 CO -0.00 0.46 0.55 -0.61 -1.05 0.00 0.00 178.15 177.50 2k8f h GLN 14 N 0.00 1.25 -0.20 0.16 4.15 -0.99 2.82 115.11 122.31 2k8f h GLN 14 Ca -0.00 -0.12 -0.19 0.00 0.77 0.00 0.00 58.65 59.11 2k8f h GLN 14 Cb 0.94 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2k8f h GLN 14 CO 0.06 0.88 -0.64 0.00 -1.93 0.00 0.00 178.83 177.20 2k8f h ARG 15 N 1.27 0.72 -0.42 1.69 3.08 -1.22 0.98 114.38 120.49 2k8f h ARG 15 Ca 0.33 -0.51 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 2k8f h ARG 15 Cb -0.05 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2k8f h ARG 15 CO -0.06 1.13 -0.31 0.00 -1.07 0.00 0.00 179.97 179.66 2k8f h ALA 16 N 0.74 0.66 0.03 0.04 0.00 -0.76 -2.41 119.26 117.56 2k8f h ALA 16 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k8f h ALA 16 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k8f h ALA 16 CO 0.13 0.67 -0.01 0.82 0.00 0.00 0.00 179.25 180.86 2k8f h ILE 17 N 0.78 1.15 -1.03 0.00 1.08 0.52 1.53 117.51 121.54 2k8f h ILE 17 Ca 0.08 -0.55 0.26 0.00 -0.39 0.00 0.00 64.86 64.27 2k8f h ILE 17 Cb 0.89 1.52 -0.09 0.00 -3.07 0.00 0.00 36.82 36.07 2k8f h ILE 17 CO 0.08 0.14 0.67 1.56 -0.69 0.00 0.00 178.15 179.91 2k8f h GLN 18 N -0.27 0.36 0.14 2.37 4.20 0.12 2.08 115.11 124.11 2k8f h GLN 18 Ca -0.00 -0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.33 2k8f h GLN 18 Cb 0.26 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2k8f h GLN 18 CO 0.01 0.24 -1.90 1.03 -0.67 0.00 0.00 178.83 177.54 2k8f h SER 19 N 0.37 0.47 0.18 1.46 0.87 -0.96 -2.48 113.55 113.46 2k8f h SER 19 Ca 0.57 -0.91 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 2k8f h SER 19 Cb 1.50 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2k8f h SER 19 CO -0.26 1.80 -0.08 0.25 -0.53 0.00 0.00 176.83 178.01 2k8f h LEU 20 N 0.08 -0.20 -0.39 2.23 5.85 0.40 2.11 115.31 125.40 2k8f h LEU 20 Ca -0.39 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2k8f h LEU 20 Cb 2.06 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 43.12 2k8f h LEU 20 CO 0.12 0.06 0.25 0.58 -0.34 0.00 0.00 178.44 179.11 2k8f h VAL 21 N -0.46 1.11 -0.00 1.05 2.07 0.31 0.88 116.25 121.21 2k8f h VAL 21 Ca -0.02 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2k8f h VAL 21 Cb 0.35 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2k8f h VAL 21 CO 0.04 0.11 -0.00 -0.74 0.02 0.00 0.00 177.57 176.99 2k8f h HIS 22 N 0.53 0.01 0.00 1.57 -0.00 -1.31 -1.05 115.15 114.88 2k8f h HIS 22 Ca 0.14 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 2k8f h HIS 22 Cb -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2k8f h HIS 22 CO -0.05 0.39 -0.14 0.00 -0.00 0.00 0.00 177.93 178.14 2k8f h ALA 23 N 0.61 1.52 -0.01 5.26 0.00 0.36 2.05 119.26 129.05 2k8f h ALA 23 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k8f h ALA 23 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k8f h ALA 23 CO 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 2k8f n ALA 24 N -2.40 2.83 -0.01 0.00 0.00 0.31 -4.04 120.51 117.20 2k8f n ALA 24 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 2k8f n ALA 24 Cb 0.22 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.20 2.75 -3.39 0.00 1.13 -0.41 -3.90 117.38 113.37 2k8f n GLN 25 Ca 0.15 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.78 2k8f n GLN 25 Cb 0.36 -1.03 -0.01 0.00 0.11 0.00 0.00 30.24 29.66 2k8f n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k8f n ARG 27 N 2.88 2.03 -0.13 0.00 3.00 -1.26 -4.44 116.66 118.73 2k8f n ARG 27 Ca 0.21 -1.30 -0.11 0.00 -0.00 0.00 0.00 57.85 56.66 2k8f n ARG 27 Cb 0.40 -1.96 -0.02 0.00 0.00 0.00 0.00 32.46 30.89 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 2.82 0.72 0.00 6.15 -0.73 -1.91 -3.47 115.58 119.15 2k8f h ASN 28 Ca 0.23 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2k8f h ASN 28 Cb 1.26 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.65 2k8f h ASN 28 CO 0.40 0.89 0.00 0.00 -0.37 0.00 0.00 177.43 178.35 2k8f n ALA 29 N -2.43 0.00 -0.40 1.57 0.00 -1.26 -4.69 120.51 113.31 2k8f n ALA 29 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2k8f n ALA 29 Cb 0.33 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.09 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 1.82 4.49 -2.67 0.00 3.02 -1.26 -4.94 115.26 115.71 2k8f n ASN 30 Ca 0.00 -2.60 -0.31 0.00 -0.03 0.00 0.00 54.58 51.64 2k8f n ASN 30 Cb 0.00 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 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 1.13 2.13 -4.31 0.00 3.41 -1.26 -4.72 113.62 110.00 2k8f n SER 32 Ca 0.11 -1.92 -0.44 0.00 -0.26 0.00 0.00 58.87 56.36 2k8f n SER 32 Cb 0.13 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.19 5.86 0.53 1.04 1.43 -1.26 -4.94 118.68 120.15 2k8f s LEU 33 Ca 0.30 -1.65 0.42 0.00 -1.03 0.00 0.00 54.13 52.16 2k8f s LEU 33 Cb 0.16 -2.15 1.61 0.00 0.03 0.00 0.00 46.19 45.83 2k8f s LEU 33 CO 0.22 -0.74 1.67 -0.65 0.23 0.00 0.00 176.35 177.08 2k8f h PRO 34 N 8.74 0.03 -0.20 1.29 0.11 -2.00 1.82 132.00 141.78 2k8f h PRO 34 Ca -0.28 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 2k8f h PRO 34 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2k8f h PRO 34 CO 0.94 0.02 -0.25 0.77 -0.21 0.00 0.00 178.00 179.26 2k8f h SER 35 N 0.03 0.37 0.24 -2.05 0.02 -1.97 -2.21 113.55 107.97 2k8f h SER 35 Ca 0.77 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.59 2k8f h SER 35 Cb 2.97 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 65.41 2k8f h SER 35 CO -0.07 0.63 -0.11 0.00 -1.14 0.00 0.00 176.83 176.13 2k8f h GLN 37 N -0.88 0.55 0.00 0.00 4.20 -1.47 1.43 115.11 118.94 2k8f h GLN 37 Ca -0.03 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2k8f h GLN 37 Cb 0.51 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2k8f h GLN 37 CO 0.05 0.37 -0.88 -0.22 -0.67 0.00 0.00 178.83 177.48 2k8f h LYS 38 N 0.57 0.01 0.02 1.46 3.11 -1.41 -1.47 116.57 118.85 2k8f h LYS 38 Ca 0.54 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 58.16 2k8f h LYS 38 Cb 1.10 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 2k8f h LYS 38 CO -0.28 0.88 -0.93 0.52 -2.81 0.00 0.00 179.45 176.82 2k8f h MET 39 N 0.00 0.23 -0.55 1.90 2.86 0.17 -1.93 114.93 117.61 2k8f h MET 39 Ca -0.01 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 2k8f h MET 39 Cb 1.55 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.27 2k8f h MET 39 CO 0.12 1.01 0.02 0.87 1.06 0.00 0.00 176.91 179.99 2k8f h LYS 40 N 0.12 0.96 -0.92 1.72 1.57 0.17 0.88 116.57 121.06 2k8f h LYS 40 Ca -0.06 -0.29 0.15 0.00 -1.87 0.00 0.00 60.65 58.58 2k8f h LYS 40 Cb 1.58 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.72 2k8f h LYS 40 CO 0.15 0.95 0.59 -0.09 -0.57 0.00 0.00 179.45 180.48 2k8f h ARG 41 N 0.84 0.69 -0.02 3.15 2.43 -1.09 3.57 114.38 123.95 2k8f h ARG 41 Ca 0.16 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2k8f h ARG 41 Cb 0.51 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k8f h ARG 41 CO 0.02 0.46 -0.21 0.28 -1.51 0.00 0.00 179.97 179.01 2k8f h VAL 42 N 0.71 1.52 0.08 0.20 2.07 -0.24 -1.99 116.25 118.59 2k8f h VAL 42 Ca 0.48 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 2k8f h VAL 42 Cb 0.77 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2k8f h VAL 42 CO -0.23 0.50 -0.04 0.58 0.02 0.00 0.00 177.57 178.40 2k8f h VAL 43 N -0.45 1.19 -0.85 2.57 2.07 0.19 0.41 116.25 121.37 2k8f h VAL 43 Ca -0.02 -1.32 0.18 0.00 0.82 0.00 0.00 66.70 66.36 2k8f h VAL 43 Cb 0.93 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 2k8f h VAL 43 CO 0.04 0.31 0.57 1.56 0.02 0.00 0.00 177.57 180.07 2k8f h GLN 44 N -0.75 0.42 0.07 1.57 1.08 0.65 0.20 115.11 118.35 2k8f h GLN 44 Ca -0.01 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 56.90 2k8f h GLN 44 Cb 0.58 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2k8f h GLN 44 CO 0.02 0.28 -1.27 1.25 -0.95 0.00 0.00 178.83 178.15 2k8f h HIS 45 N 0.43 0.25 -0.41 2.96 -0.00 -1.30 -2.91 115.15 114.18 2k8f h HIS 45 Ca 0.44 -0.19 0.05 0.00 -0.00 0.00 0.00 60.37 60.67 2k8f h HIS 45 Cb 1.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.38 2k8f h HIS 45 CO -0.00 1.17 0.14 1.15 -0.00 0.00 0.00 177.93 180.39 2k8f h THR 46 N 0.04 0.86 0.01 6.26 2.02 0.30 -2.51 112.91 119.89 2k8f h THR 46 Ca -0.13 -0.10 -0.25 0.00 0.77 0.00 0.00 66.41 66.70 2k8f h THR 46 Cb 1.91 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2k8f h THR 46 CO 0.15 0.05 -1.01 0.11 0.37 0.00 0.00 175.52 175.20 2k8f h LYS 47 N 0.30 0.52 -0.06 6.66 1.57 -1.46 -3.10 116.57 120.99 2k8f h LYS 47 Ca 0.19 -0.57 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 2k8f h LYS 47 Cb 0.19 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k8f h LYS 47 CO -0.20 1.20 0.63 0.78 -0.57 0.00 0.00 179.45 181.29 2k8f h GLY 48 N 0.91 0.00 -5.51 3.86 0.00 -1.24 -3.37 103.07 97.73 2k8f h GLY 48 Ca -0.11 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.57 2k8f h GLY 48 CO 0.18 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.99 2k8f h LYS 50 N 6.34 0.08 -0.06 0.00 1.79 -1.84 -2.51 116.57 120.37 2k8f h LYS 50 Ca -0.32 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 2k8f h LYS 50 Cb 1.19 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2k8f h LYS 50 CO 0.56 0.80 -0.33 -0.09 -1.08 0.00 0.00 179.45 179.32 2k8f h ARG 51 N 0.02 0.32 -0.05 3.15 1.12 -1.94 -3.13 114.38 113.87 2k8f h ARG 51 Ca -0.23 -0.27 -0.12 0.00 -1.11 0.00 0.00 59.98 58.25 2k8f h ARG 51 Cb 1.96 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.97 2k8f h ARG 51 CO 0.11 0.92 -0.53 -0.22 -3.11 0.00 0.00 179.97 177.14 2k8f h LYS 52 N -0.19 0.13 0.00 0.20 3.64 -1.88 -2.57 116.57 115.90 2k8f h LYS 52 Ca -0.02 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2k8f h LYS 52 Cb 0.99 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2k8f h LYS 52 CO 0.07 0.63 -0.04 1.15 -2.27 0.00 0.00 179.45 178.98 2k8f h THR 53 N 0.10 0.23 -0.02 1.00 2.02 -1.47 0.75 112.91 115.53 2k8f h THR 53 Ca -0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2k8f h THR 53 Cb 0.97 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2k8f h THR 53 CO 0.08 0.04 0.00 0.59 0.37 0.00 0.00 175.52 176.60 2k8f n ASN 54 N -3.33 0.44 0.00 4.18 3.02 -0.99 -4.82 115.26 113.75 2k8f n ASN 54 Ca -0.02 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2k8f n ASN 54 Cb 0.19 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.01 0.58 0.32 7.41 0.00 0.24 -4.95 105.19 109.80 2k8f n GLY 55 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 0.81 -4.53 -0.02 0.00 -1.33 -3.25 103.07 94.74 2k8f h GLY 56 Ca 0.00 0.23 -0.55 0.00 0.00 0.00 0.00 47.33 47.01 2k8f h GLY 56 CO 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 176.54 176.27 2k8f h PRO 58 N 5.10 0.00 -0.25 0.00 0.11 -1.96 0.85 132.00 135.86 2k8f h PRO 58 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2k8f h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k8f h PRO 58 CO 0.68 0.00 -0.03 0.82 -0.21 0.00 0.00 178.00 179.26 2k8f h ILE 59 N 0.00 1.27 0.01 4.15 2.04 -1.91 0.73 117.51 123.80 2k8f h ILE 59 Ca 0.33 -0.99 -0.24 0.00 1.00 0.00 0.00 64.86 64.96 2k8f h ILE 59 Cb 1.65 1.41 0.02 0.00 -0.74 0.00 0.00 36.82 39.16 2k8f h ILE 59 CO -0.00 0.31 -0.93 0.00 0.00 0.00 0.00 178.15 177.53 2k8f h LYS 61 N 0.24 0.27 -0.40 0.00 3.64 -0.08 0.54 116.57 120.77 2k8f h LYS 61 Ca -0.12 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 2k8f h LYS 61 Cb 1.60 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2k8f h LYS 61 CO 0.18 0.21 -0.20 0.37 -2.27 0.00 0.00 179.45 177.74 2k8f h GLN 62 N 0.25 0.85 -0.55 1.90 4.15 0.45 -2.43 115.11 119.73 2k8f h GLN 62 Ca 0.07 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.07 2k8f h GLN 62 Cb 0.01 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2k8f h GLN 62 CO -0.01 1.01 0.15 1.25 -1.93 0.00 0.00 178.83 179.29 2k8f h LEU 63 N 0.66 0.83 -0.99 -2.39 5.85 -0.06 0.32 115.31 119.53 2k8f h LEU 63 Ca 0.09 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2k8f h LEU 63 Cb 0.75 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2k8f h LEU 63 CO 0.06 0.83 0.64 0.40 -0.34 0.00 0.00 178.44 180.03 2k8f h ILE 64 N 0.78 1.14 -0.07 4.05 2.04 0.14 1.15 117.51 126.74 2k8f h ILE 64 Ca 0.17 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2k8f h ILE 64 Cb 0.32 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 2k8f h ILE 64 CO -0.00 0.22 -0.05 0.00 0.00 0.00 0.00 178.15 178.32 2k8f h ALA 65 N 1.42 0.10 -0.95 1.87 0.00 -0.91 0.43 119.26 121.22 2k8f h ALA 65 Ca 0.41 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2k8f h ALA 65 Cb 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2k8f h ALA 65 CO -0.14 -0.12 0.61 1.25 0.00 0.00 0.00 179.25 180.85 2k8f h LEU 66 N -0.26 0.94 -1.07 0.00 5.85 0.27 0.50 115.31 121.53 2k8f h LEU 66 Ca 0.01 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2k8f h LEU 66 Cb 0.54 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2k8f h LEU 66 CO 0.01 0.58 -0.26 0.00 -0.34 0.00 0.00 178.44 178.44 2k8f h ALA 67 N 1.50 1.22 -0.19 1.25 0.00 0.16 -2.32 119.26 120.89 2k8f h ALA 67 Ca 0.42 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k8f h ALA 67 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k8f h ALA 67 CO -0.17 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.69 2k8f h ALA 68 N 1.43 0.24 -0.45 0.00 0.00 0.47 1.01 119.26 121.95 2k8f h ALA 68 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k8f h ALA 68 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k8f h ALA 68 CO 0.05 -0.23 0.22 1.88 0.00 0.00 0.00 179.25 181.17 2k8f h TYR 69 N 0.19 0.63 -0.05 0.00 0.05 -1.05 -0.67 116.97 116.08 2k8f h TYR 69 Ca 0.07 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 2k8f h TYR 69 Cb 0.08 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 2k8f h TYR 69 CO -0.04 0.50 -0.06 1.25 -1.05 0.00 0.00 178.16 178.76 2k8f h HIS 70 N 0.58 0.15 0.00 4.88 2.76 -1.21 -2.11 115.15 120.20 2k8f h HIS 70 Ca 0.15 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2k8f h HIS 70 Cb 0.10 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2k8f h HIS 70 CO -0.01 0.61 0.00 0.00 -1.30 0.00 0.00 177.93 177.23 2k8f h ALA 71 N 0.51 1.00 0.00 5.26 0.00 0.11 -0.33 119.26 125.81 2k8f h ALA 71 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k8f h ALA 71 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k8f h ALA 71 CO 0.01 0.00 -0.08 0.87 0.00 0.00 0.00 179.25 180.06 2k8f h LYS 72 N 0.00 0.00 -0.95 0.00 1.57 -0.97 -3.34 116.57 112.88 2k8f h LYS 72 Ca 0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2k8f h LYS 72 Cb 0.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 2k8f h LYS 72 CO 0.00 0.17 0.60 1.25 -0.57 0.00 0.00 179.45 180.91 2k8f h HIS 73 N -1.00 1.00 -2.72 -1.35 2.76 -1.12 -3.33 115.15 109.39 2k8f h HIS 73 Ca -0.01 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.65 2k8f h HIS 73 Cb 0.23 -0.32 -0.07 0.00 1.55 0.00 0.00 27.41 28.81 2k8f h HIS 73 CO 0.02 0.39 1.09 0.00 -1.30 0.00 0.00 177.93 178.13 2k8f n GLN 75 N 8.83 1.04 -4.67 0.00 -0.06 -1.25 -4.76 117.38 116.50 2k8f n GLN 75 Ca 0.10 -0.06 -0.30 0.00 -2.00 0.00 0.00 57.00 54.74 2k8f n GLN 75 Cb 0.49 -1.23 -0.14 0.00 -4.06 0.00 0.00 30.24 25.31 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 -1.99 1.75 -1.18 3.69 2.12 -1.26 -5.05 118.70 116.78 2k8f s GLU 76 Ca 0.22 -1.15 -0.19 0.00 0.36 0.00 0.00 54.97 54.20 2k8f s GLU 76 Cb 0.10 -2.01 0.08 0.00 0.26 0.00 0.00 34.13 32.56 2k8f s GLU 76 CO 0.17 0.50 1.57 -0.80 -0.54 0.00 0.00 175.26 176.16 2k8f s ASN 77 N -1.57 6.74 0.07 -1.70 0.01 -1.26 -4.87 114.94 112.37 2k8f s ASN 77 Ca 0.13 -2.17 -0.13 0.00 -0.71 0.00 0.00 52.86 49.98 2k8f s ASN 77 Cb -0.10 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 2k8f s ASN 77 CO 0.04 -1.22 0.84 0.29 -1.51 0.00 0.00 177.10 175.54 2k8f n LYS 78 N 8.13 -0.19 0.00 -0.60 4.76 -1.26 -4.88 118.16 124.12 2k8f n LYS 78 Ca 0.41 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 2k8f n LYS 78 Cb 0.47 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 0.46 -6.05 0.00 0.13 -1.90 -3.42 132.00 121.22 2k8f h PRO 80 Ca 0.00 -0.21 -0.58 0.00 -0.87 0.00 0.00 66.00 64.35 2k8f h PRO 80 Cb 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 2k8f h PRO 80 CO 0.00 0.75 1.43 0.08 -0.23 0.00 0.00 178.00 180.04 2k8f s VAL 81 N -4.30 3.16 0.10 1.56 1.01 -1.25 -4.89 120.40 115.79 2k8f s VAL 81 Ca -0.07 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 2k8f s VAL 81 Cb 0.13 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 2k8f s VAL 81 CO 0.80 -0.15 1.66 -0.65 0.00 0.00 0.00 175.10 176.75 2k8f h PRO 82 N 14.71 -0.43 -0.34 2.72 0.11 -1.91 -3.13 132.00 143.73 2k8f h PRO 82 Ca -0.37 0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.79 2k8f h PRO 82 Cb 1.22 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2k8f h PRO 82 CO 1.00 -0.28 0.16 0.74 -0.21 0.00 0.00 178.00 179.40 2k8f h PHE 83 N -0.44 0.29 -0.71 0.65 0.04 -1.97 -1.98 116.94 112.81 2k8f h PHE 83 Ca 0.01 0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.94 2k8f h PHE 83 Cb 0.43 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 38.40 2k8f h PHE 83 CO -0.18 0.15 0.21 0.00 -0.60 0.00 0.00 178.31 177.89 2k8f h LEU 85 N 0.32 0.78 -1.41 0.00 3.38 -1.42 1.01 115.31 117.97 2k8f h LEU 85 Ca 0.39 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2k8f h LEU 85 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k8f h LEU 85 CO -0.45 0.81 -0.26 0.78 0.09 0.00 0.00 178.44 179.41 2k8f h ASN 86 N 0.78 0.06 0.00 -0.43 2.35 0.37 0.20 115.58 118.90 2k8f h ASN 86 Ca 0.16 -0.01 -0.35 0.00 -0.55 0.00 0.00 56.30 55.54 2k8f h ASN 86 Cb 0.38 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 2k8f h ASN 86 CO 0.01 0.32 -2.00 -0.38 -1.65 0.00 0.00 177.43 173.73 2k8f n ILE 87 N -4.21 1.53 0.08 2.81 5.41 0.14 -3.56 119.36 121.56 2k8f n ILE 87 Ca -0.02 -0.23 -0.22 0.00 1.00 0.00 0.00 62.75 63.29 2k8f n ILE 87 Cb 0.32 -1.97 -0.13 0.00 -0.71 0.00 0.00 39.64 37.15 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 0.57 0.00 0.38 1.79 0.97 -3.30 116.57 115.98 2k8f h LYS 88 Ca -0.54 -0.77 -0.03 0.00 -2.18 0.00 0.00 60.65 57.14 2k8f h LYS 88 Cb 1.45 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 32.35 2k8f h LYS 88 CO -0.32 1.34 -0.53 0.37 -1.08 0.00 0.00 179.45 179.23 2k8f h GLN 89 N 0.16 0.00 0.00 3.15 4.15 -0.75 -3.49 115.11 118.33 2k8f h GLN 89 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2k8f h GLN 89 Cb 1.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.53 2k8f h GLN 89 CO 0.22 0.08 0.00 1.17 -1.93 0.00 0.00 178.83 178.37