#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmi s ALA 6 N 0.00 3.09 -0.20 7.82 0.00 -1.26 -4.48 121.76 126.72 1cmi s ALA 6 Ca 0.00 0.95 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 1cmi s ALA 6 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1cmi s ALA 6 CO 0.00 -0.57 0.08 0.08 0.00 0.00 0.00 175.76 175.35 1cmi s VAL 7 N -1.47 0.16 -0.18 0.00 1.01 0.07 -4.98 120.40 115.01 1cmi s VAL 7 Ca 0.59 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1cmi s VAL 7 Cb -0.30 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1cmi s VAL 7 CO 0.37 -0.33 1.09 -0.63 0.00 0.00 0.00 175.10 175.60 1cmi s ILE 8 N 2.02 4.59 -0.14 2.22 1.09 -1.26 -0.18 121.20 129.53 1cmi s ILE 8 Ca 0.02 1.90 0.18 0.00 -1.10 0.00 0.00 60.65 61.66 1cmi s ILE 8 Cb -0.16 -4.23 -0.25 0.00 -1.06 0.00 0.00 42.46 36.76 1cmi s ILE 8 CO -0.13 -0.12 0.30 0.29 -0.10 0.00 0.00 174.94 175.18 1cmi n LYS 9 N 6.05 0.67 -3.15 2.79 4.76 -0.21 -4.91 118.16 124.16 1cmi n LYS 9 Ca 0.12 0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.62 1cmi n LYS 9 Cb 0.46 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1cmi n LYS 9 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1cmi s ASN 10 N -5.40 -1.11 0.05 4.39 3.84 -0.63 -4.99 114.94 111.09 1cmi s ASN 10 Ca -0.08 0.26 0.07 0.00 0.21 0.00 0.00 52.86 53.32 1cmi s ASN 10 Cb 0.08 1.76 -0.03 0.00 -0.55 0.00 0.00 41.25 42.50 1cmi s ASN 10 CO 0.84 -0.20 -0.18 0.00 -2.79 0.00 0.00 177.10 174.77 1cmi s ALA 11 N 2.89 2.59 0.00 1.71 0.00 -1.26 -0.46 121.76 127.22 1cmi s ALA 11 Ca 0.16 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1cmi s ALA 11 Cb -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1cmi s ALA 11 CO -0.23 0.57 0.00 -3.47 0.00 0.00 0.00 175.76 172.64 1cmi n ASP 12 N 1.50 3.67 -4.82 0.00 -0.08 0.18 -4.98 116.55 112.02 1cmi n ASP 12 Ca -0.16 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.83 1cmi n ASP 12 Cb 0.52 0.66 0.11 0.00 2.34 0.00 0.00 41.12 44.75 1cmi n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cmi s MET 13 N -1.52 1.61 0.58 -0.67 0.23 -1.17 -3.75 119.30 114.61 1cmi s MET 13 Ca 0.00 0.14 -0.19 0.00 -1.03 0.00 0.00 55.69 54.62 1cmi s MET 13 Cb 0.00 -1.91 -0.04 0.00 -1.53 0.00 0.00 34.83 31.35 1cmi s MET 13 CO 0.00 -1.85 1.17 -1.54 -2.03 0.00 0.00 175.02 170.77 1cmi s SER 14 N -4.41 5.39 0.59 -1.18 1.04 -1.26 -4.76 113.70 109.11 1cmi s SER 14 Ca 0.63 2.27 0.29 0.00 0.48 0.00 0.00 55.95 59.62 1cmi s SER 14 Cb -0.12 -2.59 1.51 0.00 0.10 0.00 0.00 66.02 64.92 1cmi s SER 14 CO 0.51 -1.45 1.93 1.05 0.98 0.00 0.00 173.24 176.25 1cmi h GLU 15 N 0.94 0.00 0.00 4.02 4.11 -1.98 0.31 114.58 121.99 1cmi h GLU 15 Ca -0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 1cmi h GLU 15 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1cmi h GLU 15 CO 0.56 0.00 -0.00 0.93 0.07 0.00 0.00 179.01 180.57 1cmi h GLU 16 N 0.00 -0.00 0.00 1.06 5.08 -2.00 -2.80 114.58 115.92 1cmi h GLU 16 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1cmi h GLU 16 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1cmi h GLU 16 CO -0.00 0.91 -0.14 1.98 -1.00 0.00 0.00 179.01 180.76 1cmi h MET 17 N -0.95 0.00 -0.35 2.33 4.05 -1.60 -1.94 114.93 116.47 1cmi h MET 17 Ca -0.00 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 1cmi h MET 17 Cb 0.91 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 1cmi h MET 17 CO 0.00 0.14 -0.41 0.37 0.23 0.00 0.00 176.91 177.25 1cmi h GLN 18 N 0.00 0.85 -0.10 0.39 4.15 -0.49 -2.73 115.11 117.19 1cmi h GLN 18 Ca -0.00 -0.46 -0.09 0.00 0.77 0.00 0.00 58.65 58.87 1cmi h GLN 18 Cb 0.28 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1cmi h GLN 18 CO 0.02 1.10 -0.35 0.37 -1.93 0.00 0.00 178.83 178.04 1cmi h GLN 19 N 0.69 0.20 0.00 1.69 4.15 -1.08 -2.55 115.11 118.22 1cmi h GLN 19 Ca 0.05 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1cmi h GLN 19 Cb 0.98 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1cmi h GLN 19 CO 0.09 0.53 -0.37 -0.44 -1.93 0.00 0.00 178.83 176.72 1cmi h ASP 20 N 0.17 0.00 0.02 -0.69 3.32 -1.31 -2.48 116.42 115.46 1cmi h ASP 20 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1cmi h ASP 20 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1cmi h ASP 20 CO 0.05 0.37 -0.01 0.28 -1.72 0.00 0.00 179.24 178.21 1cmi h SER 21 N 0.00 -0.03 0.88 6.45 0.02 -1.15 -1.78 113.55 117.94 1cmi h SER 21 Ca -0.00 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1cmi h SER 21 Cb 0.88 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1cmi h SER 21 CO 0.05 0.45 -0.43 0.58 -1.14 0.00 0.00 176.83 176.34 1cmi h VAL 22 N -0.50 0.13 -0.26 2.27 2.07 -1.51 -1.04 116.25 117.40 1cmi h VAL 22 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1cmi h VAL 22 Cb 0.48 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1cmi h VAL 22 CO 0.01 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 177.14 1cmi h GLU 23 N -1.19 -0.36 -0.75 1.57 4.81 -1.55 0.15 114.58 117.27 1cmi h GLU 23 Ca -0.12 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1cmi h GLU 23 Cb 0.91 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.30 1cmi h GLU 23 CO 0.20 -0.24 0.40 0.00 -0.73 0.00 0.00 179.01 178.64 1cmi h ALA 25 N 1.43 1.24 -0.19 0.00 0.00 -0.07 -2.51 119.26 119.16 1cmi h ALA 25 Ca 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cmi h ALA 25 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cmi h ALA 25 CO -0.25 0.51 0.09 1.15 0.00 0.00 0.00 179.25 180.74 1cmi h THR 26 N 0.26 1.14 -0.87 0.00 2.02 0.81 -0.53 112.91 115.75 1cmi h THR 26 Ca 0.04 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1cmi h THR 26 Cb 0.64 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1cmi h THR 26 CO 0.05 0.14 0.46 1.56 0.37 0.00 0.00 175.52 178.10 1cmi h GLN 27 N 0.18 1.22 -0.45 6.66 4.20 -1.18 -0.68 115.11 125.06 1cmi h GLN 27 Ca 0.07 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1cmi h GLN 27 Cb 0.14 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1cmi h GLN 27 CO -0.01 0.90 -0.02 0.00 -0.67 0.00 0.00 178.83 179.04 1cmi h ALA 28 N 1.25 1.12 -0.07 3.87 0.00 -1.13 -1.96 119.26 122.34 1cmi h ALA 28 Ca 0.30 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1cmi h ALA 28 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cmi h ALA 28 CO -0.05 0.56 -0.63 -0.07 0.00 0.00 0.00 179.25 179.06 1cmi h LEU 29 N 0.70 0.32 -1.35 0.00 3.38 -0.62 0.45 115.31 118.19 1cmi h LEU 29 Ca 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1cmi h LEU 29 Cb 0.46 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1cmi h LEU 29 CO 0.02 0.87 -0.10 -0.33 0.09 0.00 0.00 178.44 178.99 1cmi h GLU 30 N 0.20 0.00 0.00 1.13 5.08 -0.79 -3.35 114.58 116.85 1cmi h GLU 30 Ca -0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 1cmi h GLU 30 Cb 1.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 1cmi h GLU 30 CO 0.10 0.10 -1.94 1.17 -1.00 0.00 0.00 179.01 177.43 1cmi n LYS 31 N -3.24 0.73 -4.49 2.33 4.81 -0.77 -5.04 118.16 112.48 1cmi n LYS 31 Ca 0.00 0.08 -0.33 0.00 -0.87 0.00 0.00 58.31 57.19 1cmi n LYS 31 Cb 0.35 -1.34 -0.11 0.00 0.02 0.00 0.00 35.03 33.96 1cmi n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1cmi s TYR 32 N -2.33 2.90 -0.08 5.64 2.02 0.15 -5.02 117.35 120.63 1cmi s TYR 32 Ca -0.19 -0.02 0.14 0.00 -0.37 0.00 0.00 57.07 56.62 1cmi s TYR 32 Cb 0.05 -1.63 -0.23 0.00 -0.40 0.00 0.00 41.96 39.75 1cmi s TYR 32 CO 0.42 0.36 0.52 0.09 -1.57 0.00 0.00 175.55 175.38 1cmi n ASN 33 N 1.71 0.67 -4.60 2.29 3.02 -1.26 -4.67 115.26 112.41 1cmi n ASN 33 Ca -0.16 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.31 1cmi n ASN 33 Cb 0.53 0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.80 1cmi n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1cmi s ILE 34 N -2.58 5.12 0.32 2.41 1.01 -1.26 -4.98 121.20 121.24 1cmi s ILE 34 Ca -0.06 0.64 0.05 0.00 0.00 0.00 0.00 60.65 61.29 1cmi s ILE 34 Cb 0.08 -3.78 0.40 0.00 0.01 0.00 0.00 42.46 39.17 1cmi s ILE 34 CO 0.83 0.08 1.58 -0.33 0.00 0.00 0.00 174.94 177.10 1cmi h GLU 35 N 8.16 0.02 -0.55 2.79 3.07 -1.90 0.23 114.58 126.39 1cmi h GLU 35 Ca -0.30 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.62 1cmi h GLU 35 Cb 1.15 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.00 1cmi h GLU 35 CO 0.68 0.01 0.26 -0.22 -1.40 0.00 0.00 179.01 178.35 1cmi h LYS 36 N 0.02 0.49 -0.14 2.33 3.64 -1.94 0.29 116.57 121.25 1cmi h LYS 36 Ca 0.64 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.89 1cmi h LYS 36 Cb 1.42 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1cmi h LYS 36 CO -0.88 0.32 -0.39 -0.44 -2.27 0.00 0.00 179.45 175.79 1cmi h ASP 37 N 0.50 0.32 -0.44 4.20 3.32 -0.98 -0.48 116.42 122.86 1cmi h ASP 37 Ca 0.25 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1cmi h ASP 37 Cb 0.20 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1cmi h ASP 37 CO -0.20 0.68 -0.15 0.40 -1.72 0.00 0.00 179.24 178.25 1cmi h ILE 38 N 0.26 1.27 -0.66 0.35 2.04 -0.55 -1.48 117.51 118.75 1cmi h ILE 38 Ca 0.03 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1cmi h ILE 38 Cb 0.80 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1cmi h ILE 38 CO 0.06 0.44 0.36 0.00 0.00 0.00 0.00 178.15 179.01 1cmi h ALA 39 N 0.85 0.84 0.07 1.87 0.00 -0.10 -2.67 119.26 120.12 1cmi h ALA 39 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cmi h ALA 39 Cb 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cmi h ALA 39 CO 0.05 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 1cmi h ALA 40 N 1.17 -0.09 -0.25 0.00 0.00 -0.88 -1.08 119.26 118.14 1cmi h ALA 40 Ca 0.23 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1cmi h ALA 40 Cb 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1cmi h ALA 40 CO -0.04 -0.54 -0.31 1.25 0.00 0.00 0.00 179.25 179.61 1cmi h HIS 41 N -0.11 -0.85 -0.50 0.00 6.17 -1.07 0.11 115.15 118.89 1cmi h HIS 41 Ca -0.01 0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.12 1cmi h HIS 41 Cb 0.09 0.41 -0.03 0.00 2.52 0.00 0.00 27.41 30.40 1cmi h HIS 41 CO -0.07 -0.38 0.32 0.82 0.71 0.00 0.00 177.93 179.34 1cmi h ILE 42 N -0.32 1.12 0.73 6.26 2.04 -1.39 -1.55 117.51 124.41 1cmi h ILE 42 Ca 0.13 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1cmi h ILE 42 Cb 0.53 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1cmi h ILE 42 CO -0.43 0.12 -0.35 0.50 0.00 0.00 0.00 178.15 177.99 1cmi h LYS 43 N 0.66 -0.95 -0.88 2.37 3.11 -0.53 -2.03 116.57 118.32 1cmi h LYS 43 Ca 0.18 0.06 0.15 0.00 -2.81 0.00 0.00 60.65 58.24 1cmi h LYS 43 Cb -0.06 0.22 -0.10 0.00 -1.00 0.00 0.00 32.23 31.29 1cmi h LYS 43 CO -0.05 -0.63 0.47 0.87 -2.81 0.00 0.00 179.45 177.31 1cmi h LYS 44 N -1.01 0.65 -0.44 1.90 1.57 -0.72 -0.28 116.57 118.24 1cmi h LYS 44 Ca -0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1cmi h LYS 44 Cb 0.76 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1cmi h LYS 44 CO 0.17 0.43 0.21 0.93 -0.57 0.00 0.00 179.45 180.61 1cmi h GLU 45 N 0.66 0.63 -0.15 3.15 4.39 -1.12 -2.31 114.58 119.83 1cmi h GLU 45 Ca 0.48 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.96 1cmi h GLU 45 Cb 0.68 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1cmi h GLU 45 CO -0.36 0.54 -0.45 0.74 -1.16 0.00 0.00 179.01 178.32 1cmi h PHE 46 N 0.57 0.44 -0.53 4.33 -1.00 -0.56 -0.65 116.94 119.53 1cmi h PHE 46 Ca 0.15 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1cmi h PHE 46 Cb 0.12 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 1cmi h PHE 46 CO -0.01 0.75 0.23 -0.44 -1.61 0.00 0.00 178.31 177.23 1cmi h ASP 47 N 0.30 0.68 0.26 2.17 5.19 -0.90 0.61 116.42 124.74 1cmi h ASP 47 Ca 0.02 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1cmi h ASP 47 Cb 0.91 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1cmi h ASP 47 CO 0.08 0.61 -0.13 0.11 -3.12 0.00 0.00 179.24 176.79 1cmi h LYS 48 N 0.75 -0.34 0.00 3.56 1.57 -0.93 -0.44 116.57 120.75 1cmi h LYS 48 Ca 0.18 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1cmi h LYS 48 Cb 0.12 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1cmi h LYS 48 CO -0.02 -0.23 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.19 1cmi h LYS 49 N -0.65 0.00 0.00 3.15 3.64 -1.16 -3.27 116.57 118.28 1cmi h LYS 49 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1cmi h LYS 49 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1cmi h LYS 49 CO 0.06 0.23 -0.07 0.66 -2.27 0.00 0.00 179.45 178.05 1cmi n TYR 50 N -4.11 0.00 -1.02 1.91 4.02 0.20 -5.08 117.16 113.08 1cmi n TYR 50 Ca -0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 1cmi n TYR 50 Cb 0.29 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1cmi n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1cmi n ASN 51 N -0.69 -5.57 -4.52 7.72 5.03 -0.18 -4.92 115.26 112.14 1cmi n ASN 51 Ca 0.06 1.16 -0.32 0.00 0.87 0.00 0.00 54.58 56.34 1cmi n ASN 51 Cb 0.49 -2.93 0.14 0.00 -1.02 0.00 0.00 39.78 36.46 1cmi n ASN 51 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cmi n PRO 52 N -2.03 -0.33 -4.93 3.52 -0.02 -1.19 -4.58 135.00 125.44 1cmi n PRO 52 Ca 0.00 -0.05 -0.28 0.00 -2.02 0.00 0.00 63.50 61.15 1cmi n PRO 52 Cb 0.27 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 1cmi n PRO 52 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cmi s THR 53 N -2.47 1.62 0.36 3.45 2.01 -0.50 -4.90 115.64 115.22 1cmi s THR 53 Ca 0.61 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1cmi s THR 53 Cb -0.22 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1cmi s THR 53 CO 0.63 0.46 0.17 0.26 -0.69 0.00 0.00 174.62 175.46 1cmi s TRP 54 N 0.41 2.68 -0.03 4.92 0.52 -1.26 -1.52 118.94 124.66 1cmi s TRP 54 Ca -0.15 -0.44 -0.05 0.00 0.02 0.00 0.00 56.10 55.48 1cmi s TRP 54 Cb -0.16 -1.76 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1cmi s TRP 54 CO 0.06 0.26 0.13 -1.01 0.02 0.00 0.00 176.95 176.41 1cmi s HIS 55 N -2.47 -0.06 -0.01 -1.98 3.76 -0.21 -4.94 115.29 109.38 1cmi s HIS 55 Ca 0.39 0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.48 1cmi s HIS 55 Cb -0.01 0.00 -0.00 0.00 1.11 0.00 0.00 32.58 33.68 1cmi s HIS 55 CO 0.23 -0.15 -0.06 0.00 -0.85 0.00 0.00 174.74 173.91 1cmi s ILE 57 N -0.11 1.36 -0.05 0.00 1.01 0.37 -4.89 121.20 118.89 1cmi s ILE 57 Ca 0.02 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1cmi s ILE 57 Cb -0.03 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1cmi s ILE 57 CO -0.00 0.40 -0.10 -0.69 0.00 0.00 0.00 174.94 174.55 1cmi s VAL 58 N 0.40 0.91 -1.55 2.92 1.01 -1.26 -0.73 120.40 122.09 1cmi s VAL 58 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1cmi s VAL 58 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1cmi s VAL 58 CO 0.04 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1cmi n GLY 59 N 3.70 -1.56 0.02 4.51 0.00 -0.78 -4.82 105.19 106.26 1cmi n GLY 59 Ca -0.22 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 44.76 1cmi n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cmi n ARG 60 N -0.22 1.03 -3.55 1.61 1.74 -1.26 -1.31 116.66 114.70 1cmi n ARG 60 Ca 0.00 -0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 1cmi n ARG 60 Cb 0.00 -1.23 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 1cmi n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1cmi s ASN 61 N -3.44 2.40 -0.20 0.55 3.84 -1.26 -4.98 114.94 111.85 1cmi s ASN 61 Ca -0.04 -0.72 -0.34 0.00 0.21 0.00 0.00 52.86 51.97 1cmi s ASN 61 Cb 0.05 -0.08 0.14 0.00 -0.55 0.00 0.00 41.25 40.82 1cmi s ASN 61 CO 0.39 -0.37 1.21 0.72 -2.79 0.00 0.00 177.10 176.26 1cmi s PHE 62 N 2.19 -0.14 0.08 0.43 -0.12 -1.26 -5.16 117.98 114.00 1cmi s PHE 62 Ca 0.06 0.11 0.06 0.00 -0.05 0.00 0.00 56.93 57.11 1cmi s PHE 62 Cb -0.16 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1cmi s PHE 62 CO -0.19 -0.20 -0.17 0.20 -0.05 0.00 0.00 175.22 174.81 1cmi s GLY 63 N -1.99 1.03 0.10 1.99 0.00 -1.26 -5.16 107.32 102.04 1cmi s GLY 63 Ca 0.09 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1cmi s GLY 63 CO -0.05 -1.10 0.25 -1.35 0.00 0.00 0.00 173.10 170.85 1cmi s SER 64 N -1.75 0.02 -0.09 1.64 1.04 -1.26 -5.14 113.70 108.17 1cmi s SER 64 Ca 0.02 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1cmi s SER 64 Cb -0.10 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.45 1cmi s SER 64 CO 0.03 -0.77 0.11 -0.47 0.98 0.00 0.00 173.24 173.12 1cmi s TYR 65 N -3.85 -0.02 0.22 5.02 5.04 -1.26 -5.16 117.35 117.34 1cmi s TYR 65 Ca 0.05 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1cmi s TYR 65 Cb 0.04 -0.43 -0.05 0.00 0.35 0.00 0.00 41.96 41.87 1cmi s TYR 65 CO -0.10 -0.31 0.10 0.14 -1.34 0.00 0.00 175.55 174.04 1cmi s VAL 66 N 2.22 0.29 -0.17 3.14 -7.23 -1.26 -5.14 120.40 112.25 1cmi s VAL 66 Ca 0.04 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1cmi s VAL 66 Cb -0.13 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1cmi s VAL 66 CO -0.06 -0.06 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.63 1cmi s THR 67 N -3.94 2.50 0.27 5.32 2.01 -1.26 -5.12 115.64 115.42 1cmi s THR 67 Ca 0.37 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1cmi s THR 67 Cb 0.07 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 1cmi s THR 67 CO 0.12 0.51 0.06 -1.38 -0.69 0.00 0.00 174.62 173.24 1cmi s HIS 68 N 1.06 1.68 0.12 4.92 -3.43 -1.26 -4.61 115.29 113.77 1cmi s HIS 68 Ca -0.01 -1.05 -0.25 0.00 -0.80 0.00 0.00 55.06 52.95 1cmi s HIS 68 Cb -0.14 -1.03 -0.07 0.00 -1.43 0.00 0.00 32.58 29.91 1cmi s HIS 68 CO -0.05 -0.16 0.77 -1.21 -2.00 0.00 0.00 174.74 172.09 1cmi s GLU 69 N -3.95 4.53 0.78 -0.38 2.02 -0.44 -4.99 118.70 116.27 1cmi s GLU 69 Ca 0.35 1.12 -0.14 0.00 0.02 0.00 0.00 54.97 56.32 1cmi s GLU 69 Cb 0.08 -3.30 0.07 0.00 0.10 0.00 0.00 34.13 31.08 1cmi s GLU 69 CO 0.13 0.47 1.21 0.25 0.02 0.00 0.00 175.26 177.33 1cmi n THR 70 N 2.05 2.49 -1.02 3.63 -2.24 -1.26 -2.06 114.28 115.87 1cmi n THR 70 Ca -0.05 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 1cmi n THR 70 Cb 0.49 -1.24 -0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1cmi n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cmi n LYS 71 N -3.02 -1.44 -3.04 -0.78 5.02 -1.25 -4.85 118.16 108.80 1cmi n LYS 71 Ca 0.14 0.39 -0.19 0.00 -2.02 0.00 0.00 58.31 56.63 1cmi n LYS 71 Cb 0.50 -4.49 -0.02 0.00 -0.02 0.00 0.00 35.03 31.00 1cmi n LYS 71 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1cmi n HIS 72 N -2.28 1.23 -3.71 2.13 8.25 -0.87 -3.50 115.22 116.47 1cmi n HIS 72 Ca -0.01 -3.69 -0.12 0.00 -0.26 0.00 0.00 57.72 53.64 1cmi n HIS 72 Cb 0.37 -0.41 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 1cmi n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1cmi s PHE 73 N -2.78 -0.55 -0.19 4.41 2.19 -1.26 -2.30 117.98 117.49 1cmi s PHE 73 Ca 0.40 1.28 -0.13 0.00 0.33 0.00 0.00 56.93 58.82 1cmi s PHE 73 Cb 0.35 0.22 0.06 0.00 -1.31 0.00 0.00 43.02 42.34 1cmi s PHE 73 CO -0.08 -0.28 0.48 -1.50 1.83 0.00 0.00 175.22 175.67 1cmi s ILE 74 N 0.59 -0.01 -0.10 3.12 2.07 -0.42 0.51 121.20 126.96 1cmi s ILE 74 Ca -0.03 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1cmi s ILE 74 Cb -0.05 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.87 1cmi s ILE 74 CO -0.04 0.02 -0.12 -0.47 -1.91 0.00 0.00 174.94 172.43 1cmi s TYR 75 N 1.08 1.67 0.26 3.50 5.04 0.39 -1.07 117.35 128.22 1cmi s TYR 75 Ca -0.07 -0.78 -0.18 0.00 -2.44 0.00 0.00 57.07 53.61 1cmi s TYR 75 Cb -0.06 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 40.99 1cmi s TYR 75 CO -0.10 -0.45 0.61 -0.59 -1.34 0.00 0.00 175.55 173.68 1cmi s PHE 76 N 1.19 0.01 -0.10 4.97 -0.71 -0.50 -1.05 117.98 121.79 1cmi s PHE 76 Ca -0.04 -0.41 -0.02 0.00 -1.04 0.00 0.00 56.93 55.41 1cmi s PHE 76 Cb -0.14 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 1cmi s PHE 76 CO -0.03 -1.10 -0.00 0.71 -1.34 0.00 0.00 175.22 173.45 1cmi s TYR 77 N -3.95 3.15 -0.12 3.49 2.02 0.74 -0.34 117.35 122.34 1cmi s TYR 77 Ca 0.15 0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.92 1cmi s TYR 77 Cb -0.03 -1.83 0.06 0.00 -0.40 0.00 0.00 41.96 39.76 1cmi s TYR 77 CO 0.06 0.39 0.26 -1.17 -1.57 0.00 0.00 175.55 173.52 1cmi s LEU 78 N -0.65 -0.13 0.00 -1.29 2.96 -0.50 -0.75 118.68 118.33 1cmi s LEU 78 Ca 0.10 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1cmi s LEU 78 Cb -0.12 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.29 1cmi s LEU 78 CO 0.02 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 1cmi n GLY 79 N 5.07 2.28 1.04 7.98 0.00 -1.26 -1.80 105.19 118.50 1cmi n GLY 79 Ca -0.11 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.57 1cmi n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cmi n GLN 80 N 13.29 3.25 -4.34 1.61 0.00 -1.26 -4.98 117.38 124.95 1cmi n GLN 80 Ca 0.00 -2.73 -0.23 0.00 0.00 0.00 0.00 57.00 54.04 1cmi n GLN 80 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 30.24 28.37 1cmi n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1cmi s VAL 81 N -2.33 3.19 -0.05 -0.39 0.11 -0.74 -4.80 120.40 115.39 1cmi s VAL 81 Ca 0.41 -2.03 0.05 0.00 -2.93 0.00 0.00 61.98 57.47 1cmi s VAL 81 Cb 0.30 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 1cmi s VAL 81 CO 0.13 -0.37 -0.19 0.00 -3.33 0.00 0.00 175.10 171.34 1cmi s ALA 82 N -2.35 2.45 -0.06 1.54 0.00 -0.42 -1.41 121.76 121.50 1cmi s ALA 82 Ca 0.31 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1cmi s ALA 82 Cb -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 1cmi s ALA 82 CO 0.18 0.52 -0.20 0.42 0.00 0.00 0.00 175.76 176.68 1cmi s ILE 83 N -0.58 1.69 -0.23 0.00 1.01 0.53 -1.86 121.20 121.77 1cmi s ILE 83 Ca 0.08 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1cmi s ILE 83 Cb -0.11 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 40.94 1cmi s ILE 83 CO 0.01 0.48 -0.12 -0.22 0.00 0.00 0.00 174.94 175.08 1cmi s LEU 84 N 0.17 2.92 -0.09 2.97 2.96 0.09 -1.41 118.68 126.28 1cmi s LEU 84 Ca -0.09 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 52.88 1cmi s LEU 84 Cb -0.14 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.99 1cmi s LEU 84 CO 0.04 -0.10 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.61 1cmi s LEU 85 N 1.25 1.67 0.04 -0.68 2.96 -0.23 -0.48 118.68 123.21 1cmi s LEU 85 Ca -0.01 -0.38 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 1cmi s LEU 85 Cb -0.16 -1.00 0.04 0.00 0.50 0.00 0.00 46.19 45.56 1cmi s LEU 85 CO -0.07 0.02 0.45 0.72 -1.32 0.00 0.00 176.35 176.14 1cmi s PHE 86 N 0.91 -0.32 -0.09 5.38 -0.71 -0.94 -1.30 117.98 120.90 1cmi s PHE 86 Ca -0.09 0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 56.13 1cmi s PHE 86 Cb -0.15 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 1cmi s PHE 86 CO 0.00 -0.58 -0.03 0.21 -1.34 0.00 0.00 175.22 173.48 1cmi s LYS 87 N -2.34 2.99 -0.25 1.99 2.20 -0.97 -1.04 119.74 122.32 1cmi s LYS 87 Ca -0.06 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1cmi s LYS 87 Cb -0.01 -2.73 0.13 0.00 -1.51 0.00 0.00 37.83 33.71 1cmi s LYS 87 CO -0.01 0.62 0.35 -1.54 -0.36 0.00 0.00 175.35 174.41 1cmi s SER 88 N -0.67 0.56 0.00 1.43 1.04 -0.57 -1.33 113.70 114.15 1cmi s SER 88 Ca 0.10 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1cmi s SER 88 Cb -0.12 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1cmi s SER 88 CO 0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.53