#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgo h ALA 3 N 0.00 0.35 -2.20 4.37 0.00 -2.02 -3.46 119.26 116.29 1cgo h ALA 3 Ca 0.00 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 1cgo h ALA 3 Cb 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 17.57 1cgo h ALA 3 CO 0.00 0.26 -0.73 0.15 0.00 0.00 0.00 179.25 178.92 1cgo s LYS 4 N -4.46 1.40 0.42 0.00 1.02 -1.26 -5.03 119.74 111.83 1cgo s LYS 4 Ca -0.13 -1.63 0.11 0.00 0.02 0.00 0.00 55.97 54.34 1cgo s LYS 4 Cb 0.07 -1.21 0.96 0.00 -0.52 0.00 0.00 37.83 37.14 1cgo s LYS 4 CO 0.79 0.19 2.01 -1.35 -0.92 0.00 0.00 175.35 176.07 1cgo h PRO 5 N 2.49 0.45 -0.26 -1.68 0.10 -1.88 -0.87 132.00 130.36 1cgo h PRO 5 Ca -0.38 -0.03 0.04 0.00 0.10 0.00 0.00 66.00 65.73 1cgo h PRO 5 Cb 1.23 -0.10 -0.01 0.00 0.10 0.00 0.00 31.00 32.21 1cgo h PRO 5 CO 0.62 0.30 0.18 0.93 0.10 0.00 0.00 178.00 180.13 1cgo h GLU 6 N 0.47 0.14 0.00 1.05 3.07 -1.93 -0.33 114.58 117.05 1cgo h GLU 6 Ca 0.23 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.94 1cgo h GLU 6 Cb 0.30 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1cgo h GLU 6 CO -0.06 0.10 -0.64 -0.44 -1.40 0.00 0.00 179.01 176.56 1cgo h ASP 7 N 0.15 0.00 0.40 1.42 3.32 -1.56 -1.38 116.42 118.77 1cgo h ASP 7 Ca 0.11 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.94 1cgo h ASP 7 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1cgo h ASP 7 CO -0.02 0.64 -0.95 0.00 -1.72 0.00 0.00 179.24 177.20 1cgo h ALA 8 N 1.36 0.38 -0.33 3.45 0.00 -1.16 -1.59 119.26 121.36 1cgo h ALA 8 Ca -0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 1cgo h ALA 8 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1cgo h ALA 8 CO 0.08 0.84 0.01 0.28 0.00 0.00 0.00 179.25 180.47 1cgo h VAL 9 N 0.20 1.25 -0.51 0.00 2.07 -1.05 -1.27 116.25 116.93 1cgo h VAL 9 Ca -0.08 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 1cgo h VAL 9 Cb 1.59 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1cgo h VAL 9 CO 0.16 0.31 -0.03 0.50 0.02 0.00 0.00 177.57 178.53 1cgo h LYS 10 N 0.38 0.89 -0.06 1.57 3.64 -1.24 -1.26 116.57 120.50 1cgo h LYS 10 Ca 0.09 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1cgo h LYS 10 Cb 0.43 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1cgo h LYS 10 CO 0.01 0.90 0.03 -0.92 -2.27 0.00 0.00 179.45 177.20 1cgo h TYR 11 N 0.81 0.08 -0.38 1.91 5.03 -0.96 -1.77 116.97 121.69 1cgo h TYR 11 Ca 0.15 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 1cgo h TYR 11 Cb 0.53 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.77 1cgo h TYR 11 CO 0.03 0.15 -0.13 0.07 -1.32 0.00 0.00 178.16 176.96 1cgo h ARG 12 N -0.01 0.69 -0.25 1.82 0.11 -1.13 0.23 114.38 115.84 1cgo h ARG 12 Ca 0.02 -0.23 -0.11 0.00 0.10 0.00 0.00 59.98 59.76 1cgo h ARG 12 Cb 0.10 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 1cgo h ARG 12 CO -0.00 0.79 -0.31 1.96 0.10 0.00 0.00 179.97 182.51 1cgo h GLN 13 N 0.62 0.51 -0.23 0.08 4.20 -1.17 -1.39 115.11 117.74 1cgo h GLN 13 Ca 0.11 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1cgo h GLN 13 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1cgo h GLN 13 CO 0.04 0.76 0.00 0.77 -0.67 0.00 0.00 178.83 179.74 1cgo h SER 14 N 0.44 0.39 -0.72 1.46 0.02 -0.80 -0.40 113.55 113.93 1cgo h SER 14 Ca 0.05 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1cgo h SER 14 Cb 0.76 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1cgo h SER 14 CO 0.06 0.60 0.45 0.00 -1.14 0.00 0.00 176.83 176.80 1cgo h ALA 15 N 0.81 0.92 -0.34 3.77 0.00 -0.34 -1.86 119.26 122.23 1cgo h ALA 15 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1cgo h ALA 15 Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1cgo h ALA 15 CO 0.01 0.38 -0.15 -0.07 0.00 0.00 0.00 179.25 179.42 1cgo h LEU 16 N 0.99 0.59 -0.24 0.00 3.38 -1.17 -0.87 115.31 117.97 1cgo h LEU 16 Ca 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1cgo h LEU 16 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1cgo h LEU 16 CO -0.05 0.76 0.11 0.74 0.09 0.00 0.00 178.44 180.08 1cgo h THR 17 N 0.54 1.15 -0.74 0.22 2.02 -0.64 -0.85 112.91 114.61 1cgo h THR 17 Ca 0.09 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1cgo h THR 17 Cb 0.57 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1cgo h THR 17 CO 0.04 0.15 0.38 -0.07 0.37 0.00 0.00 175.52 176.38 1cgo h LEU 18 N 0.25 0.95 -0.39 2.58 3.38 -1.04 -1.60 115.31 119.44 1cgo h LEU 18 Ca 0.08 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1cgo h LEU 18 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1cgo h LEU 18 CO -0.01 0.80 0.21 -0.03 0.09 0.00 0.00 178.44 179.50 1cgo h MET 19 N 1.03 0.42 -0.79 1.13 4.05 -0.92 -1.29 114.93 118.57 1cgo h MET 19 Ca 0.26 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.76 1cgo h MET 19 Cb 0.08 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.71 1cgo h MET 19 CO -0.04 0.28 0.42 0.00 0.23 0.00 0.00 176.91 177.80 1cgo h ALA 20 N 1.19 1.13 -0.25 0.39 0.00 -0.74 0.10 119.26 121.08 1cgo h ALA 20 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1cgo h ALA 20 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1cgo h ALA 20 CO -0.09 0.00 -0.06 1.03 0.00 0.00 0.00 179.25 180.14 1cgo h SER 21 N 0.68 0.49 0.72 0.00 0.87 -0.52 0.28 113.55 116.08 1cgo h SER 21 Ca 0.40 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1cgo h SER 21 Cb 0.43 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1cgo h SER 21 CO -0.28 0.74 -0.23 0.45 -0.53 0.00 0.00 176.83 176.98 1cgo h HIS 22 N 0.23 0.00 0.00 2.24 3.86 -0.87 -1.35 115.15 119.26 1cgo h HIS 22 Ca 0.06 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1cgo h HIS 22 Cb 0.52 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1cgo h HIS 22 CO 0.05 0.23 -0.83 0.35 0.86 0.00 0.00 177.93 178.59 1cgo h PHE 23 N 0.00 0.00 -0.03 2.45 3.57 -0.64 -3.38 116.94 118.91 1cgo h PHE 23 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1cgo h PHE 23 Cb 0.65 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1cgo h PHE 23 CO 0.00 1.13 0.03 0.78 -2.23 0.00 0.00 178.31 178.02 1cgo h GLY 24 N -1.00 0.00 2.00 2.40 0.00 -0.44 -1.55 103.07 104.49 1cgo h GLY 24 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1cgo h GLY 24 CO -0.13 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.45 1cgo n ARG 25 N -4.24 0.10 0.00 4.80 1.85 -0.51 -2.29 116.66 116.37 1cgo n ARG 25 Ca -0.02 0.39 0.13 0.00 -1.00 0.00 0.00 57.85 57.35 1cgo n ARG 25 Cb 0.12 -1.72 0.36 0.00 -1.05 0.00 0.00 32.46 30.17 1cgo n ARG 25 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1cgo n MET 26 N -1.91 0.77 -0.09 2.89 2.81 -0.58 -4.38 117.12 116.62 1cgo n MET 26 Ca 0.02 -0.45 -0.06 0.00 -1.81 0.00 0.00 57.70 55.40 1cgo n MET 26 Cb 0.17 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1cgo n MET 26 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1cgo h THR 27 N 1.11 0.67 -0.10 2.03 2.02 -1.61 -1.04 112.91 116.00 1cgo h THR 27 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1cgo h THR 27 Cb 0.51 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1cgo h THR 27 CO 0.00 0.00 0.03 -0.65 0.37 0.00 0.00 175.52 175.27 1cgo h PRO 28 N 0.01 0.13 -0.16 6.66 0.11 -1.83 0.28 132.00 137.20 1cgo h PRO 28 Ca 0.16 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 1cgo h PRO 28 Cb 0.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1cgo h PRO 28 CO -0.34 0.12 -0.29 0.28 -0.21 0.00 0.00 178.00 177.56 1cgo h VAL 29 N 0.13 1.35 -0.14 3.15 2.07 -1.49 0.12 116.25 121.44 1cgo h VAL 29 Ca 0.03 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1cgo h VAL 29 Cb 0.05 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1cgo h VAL 29 CO -0.00 0.46 -0.19 0.58 0.02 0.00 0.00 177.57 178.44 1cgo h VAL 30 N 0.12 1.21 -0.01 2.57 2.07 -0.81 -1.63 116.25 119.77 1cgo h VAL 30 Ca 0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1cgo h VAL 30 Cb 0.88 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1cgo h VAL 30 CO 0.07 0.29 -0.11 0.29 0.02 0.00 0.00 177.57 178.12 1cgo n LYS 31 N -4.22 1.16 -0.73 1.57 5.02 0.05 -4.90 118.16 116.11 1cgo n LYS 31 Ca -0.01 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1cgo n LYS 31 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1cgo n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cgo n GLY 32 N 1.24 0.78 0.12 0.72 0.00 -0.61 -4.89 105.19 102.54 1cgo n GLY 32 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1cgo n GLY 32 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1cgo h GLN 33 N 2.87 0.00 -5.50 1.61 4.20 -1.03 -3.45 115.11 113.82 1cgo h GLN 33 Ca 0.00 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.28 1cgo h GLN 33 Cb 0.00 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.60 1cgo h GLN 33 CO 0.00 0.00 -0.76 0.00 -0.67 0.00 0.00 178.83 177.40 1cgo s ALA 34 N -3.15 1.58 0.60 3.87 0.00 -0.88 -4.97 121.76 118.82 1cgo s ALA 34 Ca 0.09 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 1cgo s ALA 34 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1cgo s ALA 34 CO 0.65 0.12 1.10 -1.25 0.00 0.00 0.00 175.76 176.38 1cgo s PRO 35 N -2.70 3.12 -0.41 0.00 0.04 -1.26 -4.46 135.00 129.33 1cgo s PRO 35 Ca 0.10 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 1cgo s PRO 35 Cb -0.05 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1cgo s PRO 35 CO 0.04 -1.00 0.31 -0.47 0.04 0.00 0.00 177.00 175.92 1cgo s TYR 36 N -2.18 3.23 -0.33 0.56 5.04 -1.26 -4.87 117.35 117.54 1cgo s TYR 36 Ca 0.68 -0.55 -0.04 0.00 -2.44 0.00 0.00 57.07 54.72 1cgo s TYR 36 Cb -0.20 -2.62 0.06 0.00 0.35 0.00 0.00 41.96 39.55 1cgo s TYR 36 CO 0.35 -0.59 0.07 0.34 -1.34 0.00 0.00 175.55 174.38 1cgo s ASP 37 N 1.70 5.10 0.25 4.32 -1.08 -1.26 -5.00 116.67 120.69 1cgo s ASP 37 Ca 0.06 -1.37 -0.03 0.00 -0.52 0.00 0.00 52.55 50.69 1cgo s ASP 37 Cb -0.19 -1.79 0.51 0.00 -1.46 0.00 0.00 42.92 40.00 1cgo s ASP 37 CO 0.10 -0.33 1.72 0.00 0.52 0.00 0.00 175.17 177.17 1cgo h ALA 38 N 8.08 1.11 -0.41 3.66 0.00 -1.95 -2.33 119.26 127.43 1cgo h ALA 38 Ca -0.20 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1cgo h ALA 38 Cb 1.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1cgo h ALA 38 CO 0.59 -0.26 0.18 0.00 0.00 0.00 0.00 179.25 179.76 1cgo h ALA 39 N 1.59 0.53 -0.45 0.00 0.00 -1.94 -0.10 119.26 118.90 1cgo h ALA 39 Ca 0.44 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1cgo h ALA 39 Cb 0.72 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1cgo h ALA 39 CO -0.45 0.12 0.17 0.37 0.00 0.00 0.00 179.25 179.45 1cgo h GLN 40 N 0.52 0.33 -0.10 0.00 4.15 -1.90 -1.63 115.11 116.49 1cgo h GLN 40 Ca 0.14 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1cgo h GLN 40 Cb 0.16 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1cgo h GLN 40 CO -0.01 0.22 0.00 0.82 -1.93 0.00 0.00 178.83 177.93 1cgo h ILE 41 N 0.34 1.25 -0.53 2.39 1.08 -1.30 -0.96 117.51 119.78 1cgo h ILE 41 Ca 0.21 -0.79 0.11 0.00 -0.39 0.00 0.00 64.86 64.00 1cgo h ILE 41 Cb 0.19 1.59 -0.09 0.00 -3.07 0.00 0.00 36.82 35.44 1cgo h ILE 41 CO -0.20 0.22 -0.05 0.50 -0.69 0.00 0.00 178.15 177.93 1cgo h LYS 42 N -0.11 0.07 -0.62 2.37 3.64 -0.66 -0.43 116.57 120.84 1cgo h LYS 42 Ca 0.03 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1cgo h LYS 42 Cb 0.35 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1cgo h LYS 42 CO 0.00 0.05 0.09 0.00 -2.27 0.00 0.00 179.45 177.32 1cgo h ALA 43 N 1.50 1.00 -0.50 5.00 0.00 -1.22 -0.54 119.26 124.49 1cgo h ALA 43 Ca 0.27 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1cgo h ALA 43 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1cgo h ALA 43 CO -0.48 0.63 -0.07 -0.97 0.00 0.00 0.00 179.25 178.36 1cgo h ASN 44 N 0.95 0.92 -0.28 0.00 -0.73 -0.09 -2.54 115.58 113.81 1cgo h ASN 44 Ca 0.19 -0.34 -0.03 0.00 1.87 0.00 0.00 56.30 57.99 1cgo h ASN 44 Cb 0.42 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 1cgo h ASN 44 CO 0.01 1.04 0.09 0.58 -0.37 0.00 0.00 177.43 178.78 1cgo h VAL 45 N 0.78 1.16 -0.74 2.57 2.07 -0.95 0.34 116.25 121.48 1cgo h VAL 45 Ca 0.13 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1cgo h VAL 45 Cb 0.61 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1cgo h VAL 45 CO 0.04 0.20 0.38 -0.33 0.02 0.00 0.00 177.57 177.88 1cgo h GLU 46 N 0.50 1.05 -0.36 1.57 3.07 -0.68 -0.78 114.58 118.95 1cgo h GLU 46 Ca 0.12 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 1cgo h GLU 46 Cb 0.18 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1cgo h GLU 46 CO -0.00 0.80 0.00 0.28 -1.40 0.00 0.00 179.01 178.69 1cgo h VAL 47 N 1.04 1.26 -0.96 3.13 2.07 -1.10 -2.48 116.25 119.20 1cgo h VAL 47 Ca 0.26 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.89 1cgo h VAL 47 Cb 0.08 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1cgo h VAL 47 CO -0.04 0.32 0.62 0.25 0.02 0.00 0.00 177.57 178.75 1cgo h LEU 48 N 0.45 0.93 -0.65 2.57 5.85 -0.56 -0.45 115.31 123.45 1cgo h LEU 48 Ca 0.10 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1cgo h LEU 48 Cb 0.46 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1cgo h LEU 48 CO 0.02 0.56 -0.26 0.50 -0.34 0.00 0.00 178.44 178.91 1cgo h LYS 49 N 1.04 0.77 -0.21 1.25 3.64 -0.82 0.67 116.57 122.91 1cgo h LYS 49 Ca 0.44 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1cgo h LYS 49 Cb 0.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1cgo h LYS 49 CO -0.19 0.95 -0.11 1.15 -2.27 0.00 0.00 179.45 178.98 1cgo h THR 50 N 0.66 1.31 -0.31 1.00 2.02 -0.92 -3.07 112.91 113.60 1cgo h THR 50 Ca 0.08 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.02 1cgo h THR 50 Cb 0.79 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1cgo h THR 50 CO 0.06 0.36 -0.07 -0.07 0.37 0.00 0.00 175.52 176.17 1cgo h LEU 51 N 0.15 0.47 -0.87 2.58 3.38 -0.86 -2.63 115.31 117.52 1cgo h LEU 51 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1cgo h LEU 51 Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cgo h LEU 51 CO 0.03 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.51 1cgo n THR 52 N -4.24 0.91 0.71 0.22 -2.24 0.21 -1.69 114.28 108.15 1cgo n THR 52 Ca 0.01 0.37 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 1cgo n THR 52 Cb 0.29 -1.32 0.15 0.00 -2.10 0.00 0.00 70.33 67.35 1cgo n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgo n ALA 53 N -1.77 3.29 0.03 6.98 0.00 -0.99 -4.56 120.51 123.49 1cgo n ALA 53 Ca 0.01 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.93 1cgo n ALA 53 Cb 0.17 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1cgo n ALA 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cgo h LEU 54 N 0.00 0.82 -1.04 0.00 4.07 -1.42 -3.38 115.31 114.36 1cgo h LEU 54 Ca 0.00 -0.73 0.03 0.00 0.08 0.00 0.00 57.88 57.26 1cgo h LEU 54 Cb 0.66 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1cgo h LEU 54 CO 0.00 1.45 0.64 -0.65 -1.08 0.00 0.00 178.44 178.80 1cgo h PRO 55 N 0.28 1.21 -0.78 1.13 0.11 -1.80 -3.30 132.00 128.85 1cgo h PRO 55 Ca -0.11 -0.07 0.16 0.00 0.11 0.00 0.00 66.00 66.09 1cgo h PRO 55 Cb 1.57 -0.27 -0.10 0.00 0.11 0.00 0.00 31.00 32.31 1cgo h PRO 55 CO 0.18 0.80 0.29 -1.49 -0.21 0.00 0.00 178.00 177.57 1cgo h TRP 56 N 1.25 0.49 0.00 0.65 4.06 -1.89 -1.22 115.95 119.28 1cgo h TRP 56 Ca 0.38 0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.37 1cgo h TRP 56 Cb -0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 1cgo h TRP 56 CO -0.00 0.01 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 1cgo h ALA 57 N 1.59 1.00 -0.49 1.49 0.00 -1.83 -2.08 119.26 118.93 1cgo h ALA 57 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1cgo h ALA 57 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1cgo h ALA 57 CO -0.45 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.80 1cgo n ALA 58 N -1.86 3.17 -1.86 0.00 0.00 -0.46 -3.94 120.51 115.57 1cgo n ALA 58 Ca -0.01 -1.32 -0.21 0.00 0.00 0.00 0.00 53.44 51.90 1cgo n ALA 58 Cb 0.10 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.56 1cgo n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1cgo n PHE 59 N 0.73 2.41 -1.57 0.00 3.72 -0.78 -4.67 117.46 117.30 1cgo n PHE 59 Ca 0.21 -2.20 -0.29 0.00 -0.05 0.00 0.00 57.45 55.11 1cgo n PHE 59 Cb 0.81 -0.47 0.18 0.00 -0.94 0.00 0.00 39.48 39.06 1cgo n PHE 59 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1cgo s GLY 60 N -3.28 1.65 0.22 1.37 0.00 -1.25 -4.88 107.32 101.13 1cgo s GLY 60 Ca 0.51 -0.87 -0.32 0.00 0.00 0.00 0.00 44.72 44.04 1cgo s GLY 60 CO 0.02 -0.16 1.56 -1.05 0.00 0.00 0.00 173.10 173.47 1cgo n PRO 61 N -4.00 2.33 -1.04 2.90 -0.02 -1.26 -1.39 135.00 132.51 1cgo n PRO 61 Ca 0.11 0.83 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 1cgo n PRO 61 Cb 0.59 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1cgo n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cgo n GLY 62 N 2.92 0.52 2.06 -1.23 0.00 -1.26 -4.93 105.19 103.26 1cgo n GLY 62 Ca 0.14 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1cgo n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cgo n THR 63 N -2.90 3.05 -1.61 2.61 -2.24 -0.49 -4.72 114.28 107.98 1cgo n THR 63 Ca -0.01 -1.84 -0.41 0.00 -2.27 0.00 0.00 64.05 59.52 1cgo n THR 63 Cb 0.08 -0.41 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1cgo n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cgo n GLU 64 N -0.68 1.35 0.00 -0.78 4.71 -1.26 -4.80 120.64 119.19 1cgo n GLU 64 Ca 0.49 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 1cgo n GLU 64 Cb 1.51 -2.06 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 1cgo n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cgo n GLY 65 N 1.17 0.99 7.00 0.62 0.00 -1.26 -4.90 105.19 108.81 1cgo n GLY 65 Ca 0.09 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1cgo n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgo n GLY 66 N -1.87 1.39 1.58 -0.02 0.00 -1.26 -2.69 105.19 102.33 1cgo n GLY 66 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.47 1cgo n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cgo n ASP 67 N -0.78 4.71 -4.72 1.61 8.00 -1.26 -4.93 116.55 119.17 1cgo n ASP 67 Ca 0.00 -2.62 -0.41 0.00 0.71 0.00 0.00 54.79 52.47 1cgo n ASP 67 Cb 0.00 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.45 1cgo n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cgo s ALA 68 N -2.20 3.23 0.43 2.24 0.00 -1.10 0.65 121.76 125.02 1cgo s ALA 68 Ca 0.46 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 1cgo s ALA 68 Cb 0.33 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 1cgo s ALA 68 CO 0.17 -0.13 1.01 1.03 0.00 0.00 0.00 175.76 177.84 1cgo s ARG 69 N 0.66 4.08 0.63 0.00 0.52 -0.40 -4.64 118.95 119.81 1cgo s ARG 69 Ca 0.47 1.35 0.38 0.00 -0.52 0.00 0.00 55.73 57.40 1cgo s ARG 69 Cb -0.21 -2.31 2.15 0.00 0.52 0.00 0.00 34.95 35.10 1cgo s ARG 69 CO 0.26 -0.19 2.32 -1.35 0.02 0.00 0.00 175.30 176.36 1cgo h PRO 70 N 2.06 0.00 -0.12 3.54 0.11 -1.96 -1.24 132.00 134.39 1cgo h PRO 70 Ca -0.49 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1cgo h PRO 70 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cgo h PRO 70 CO 0.61 0.00 0.16 0.93 -0.21 0.00 0.00 178.00 179.49 1cgo h GLU 71 N 0.00 0.00 -0.97 1.05 3.07 -1.94 0.23 114.58 116.02 1cgo h GLU 71 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1cgo h GLU 71 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1cgo h GLU 71 CO -0.00 0.00 0.63 0.82 -1.40 0.00 0.00 179.01 179.06 1cgo h ILE 72 N 0.00 1.02 0.04 3.13 2.04 -1.54 0.15 117.51 122.35 1cgo h ILE 72 Ca 0.06 -0.37 -0.28 0.00 1.00 0.00 0.00 64.86 65.27 1cgo h ILE 72 Cb 0.37 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1cgo h ILE 72 CO -0.00 0.19 -1.51 -0.50 0.00 0.00 0.00 178.15 176.33 1cgo h TRP 73 N 1.06 0.15 -0.09 1.37 6.55 -0.77 -3.13 115.95 121.09 1cgo h TRP 73 Ca 0.44 -0.11 -0.23 0.00 0.95 0.00 0.00 58.89 59.95 1cgo h TRP 73 Cb 0.29 -0.01 0.01 0.00 -0.86 0.00 0.00 29.16 28.60 1cgo h TRP 73 CO -0.00 1.15 -0.84 0.77 -1.05 0.00 0.00 178.44 178.47 1cgo h SER 74 N 0.02 0.80 -1.65 -3.49 0.02 -1.20 -3.35 113.55 104.71 1cgo h SER 74 Ca -0.22 -0.56 -0.62 0.00 -0.84 0.00 0.00 61.79 59.56 1cgo h SER 74 Cb 1.96 -0.24 -0.40 0.00 0.14 0.00 0.00 62.40 63.86 1cgo h SER 74 CO 0.11 1.35 -0.46 -0.67 -1.14 0.00 0.00 176.83 176.02 1cgo n ASP 75 N -3.88 5.10 -0.33 3.07 -0.08 0.49 -4.92 116.55 116.01 1cgo n ASP 75 Ca -0.07 -3.73 0.13 0.00 -1.51 0.00 0.00 54.79 49.60 1cgo n ASP 75 Cb 0.78 -0.56 0.34 0.00 2.34 0.00 0.00 41.12 44.02 1cgo n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cgo h ALA 76 N 2.68 1.75 -0.45 -1.67 0.00 -1.68 -1.67 119.26 118.22 1cgo h ALA 76 Ca 0.33 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1cgo h ALA 76 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1cgo h ALA 76 CO 0.93 -0.06 0.02 0.00 0.00 0.00 0.00 179.25 180.13 1cgo h ALA 77 N 1.61 0.60 -0.21 0.00 0.00 -1.91 -0.79 119.26 118.55 1cgo h ALA 77 Ca 0.53 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1cgo h ALA 77 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1cgo h ALA 77 CO -0.30 0.38 -0.33 0.77 0.00 0.00 0.00 179.25 179.76 1cgo h SER 78 N 0.62 0.46 -0.22 0.00 0.02 -1.79 -2.23 113.55 110.41 1cgo h SER 78 Ca 0.13 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1cgo h SER 78 Cb 0.47 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1cgo h SER 78 CO 0.02 0.77 -0.01 0.15 -1.14 0.00 0.00 176.83 176.61 1cgo h PHE 79 N 0.38 0.44 -0.77 3.45 3.57 -1.00 -2.34 116.94 120.68 1cgo h PHE 79 Ca 0.05 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1cgo h PHE 79 Cb 0.77 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 1cgo h PHE 79 CO 0.02 0.60 0.43 -0.22 -2.23 0.00 0.00 178.31 176.91 1cgo h LYS 80 N 0.16 0.71 -0.69 1.11 1.63 -1.05 -0.16 116.57 118.29 1cgo h LYS 80 Ca 0.06 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1cgo h LYS 80 Cb 0.43 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1cgo h LYS 80 CO 0.01 0.47 0.43 1.96 -3.45 0.00 0.00 179.45 178.88 1cgo h GLN 81 N 0.73 0.83 -0.71 1.90 7.50 -1.21 0.72 115.11 124.87 1cgo h GLN 81 Ca 0.37 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.48 1cgo h GLN 81 Cb 0.33 -0.19 -0.04 0.00 0.05 0.00 0.00 27.48 27.64 1cgo h GLN 81 CO -0.24 0.55 0.47 0.87 -1.50 0.00 0.00 178.83 178.98 1cgo h LYS 82 N 0.85 0.93 -0.19 1.46 1.57 -0.66 -0.13 116.57 120.39 1cgo h LYS 82 Ca 0.27 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1cgo h LYS 82 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1cgo h LYS 82 CO -0.10 0.61 -0.07 0.37 -0.57 0.00 0.00 179.45 179.69 1cgo h GLN 83 N 0.95 0.39 -0.34 3.15 4.15 -0.37 -2.67 115.11 120.38 1cgo h GLN 83 Ca 0.26 -0.16 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1cgo h GLN 83 Cb -0.10 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1cgo h GLN 83 CO -0.06 0.67 0.19 1.96 -1.93 0.00 0.00 178.83 179.66 1cgo h GLN 84 N 0.10 0.38 -0.82 1.69 4.20 -0.58 0.41 115.11 120.49 1cgo h GLN 84 Ca 0.05 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.82 1cgo h GLN 84 Cb 0.54 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1cgo h GLN 84 CO 0.02 0.25 0.54 0.00 -0.67 0.00 0.00 178.83 178.97 1cgo h ALA 85 N 1.15 1.69 -0.16 3.87 0.00 -1.04 0.19 119.26 124.97 1cgo h ALA 85 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1cgo h ALA 85 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1cgo h ALA 85 CO -0.07 0.15 0.02 0.35 0.00 0.00 0.00 179.25 179.70 1cgo h PHE 86 N 0.81 0.29 -0.15 0.00 3.57 -0.94 -0.93 116.94 119.59 1cgo h PHE 86 Ca 0.37 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 1cgo h PHE 86 Cb 0.38 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1cgo h PHE 86 CO -0.00 0.45 -0.22 1.96 -2.23 0.00 0.00 178.31 178.27 1cgo h GLN 87 N 0.04 0.26 -0.48 1.11 4.20 -0.14 -0.73 115.11 119.37 1cgo h GLN 87 Ca 0.05 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1cgo h GLN 87 Cb 0.32 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1cgo h GLN 87 CO 0.00 0.48 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.06 1cgo h ASP 88 N 0.24 0.92 0.04 1.46 5.19 -0.41 -1.74 116.42 122.11 1cgo h ASP 88 Ca 0.04 -0.31 -0.07 0.00 -0.62 0.00 0.00 57.03 56.08 1cgo h ASP 88 Cb 0.53 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1cgo h ASP 88 CO 0.04 1.06 -0.20 0.78 -3.12 0.00 0.00 179.24 177.80 1cgo h ASN 89 N 0.81 0.28 -0.53 6.45 2.35 -0.49 -1.77 115.58 122.69 1cgo h ASN 89 Ca 0.12 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1cgo h ASN 89 Cb 0.68 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1cgo h ASN 89 CO 0.05 0.50 0.13 0.40 -1.65 0.00 0.00 177.43 176.86 1cgo h ILE 90 N 0.27 1.24 -0.71 2.81 1.08 -0.62 -0.85 117.51 120.73 1cgo h ILE 90 Ca 0.05 -0.87 -0.05 0.00 -0.39 0.00 0.00 64.86 63.60 1cgo h ILE 90 Cb 0.51 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1cgo h ILE 90 CO 0.03 0.33 0.26 0.58 -0.69 0.00 0.00 178.15 178.66 1cgo h VAL 91 N 0.86 1.25 -0.55 1.67 2.07 -0.51 -0.88 116.25 120.16 1cgo h VAL 91 Ca 0.18 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1cgo h VAL 91 Cb 0.33 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1cgo h VAL 91 CO 0.00 0.32 0.10 0.50 0.02 0.00 0.00 177.57 178.51 1cgo h LYS 92 N 1.04 0.91 -0.58 1.57 3.64 -0.88 -0.86 116.57 121.41 1cgo h LYS 92 Ca 0.24 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1cgo h LYS 92 Cb 0.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1cgo h LYS 92 CO -0.02 0.87 0.27 1.25 -2.27 0.00 0.00 179.45 179.55 1cgo h LEU 93 N 0.80 0.76 -0.81 5.20 5.85 -0.60 -1.03 115.31 125.49 1cgo h LEU 93 Ca 0.17 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1cgo h LEU 93 Cb 0.40 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1cgo h LEU 93 CO 0.01 0.69 0.52 -1.28 -0.34 0.00 0.00 178.44 178.04 1cgo h SER 94 N 0.78 0.85 -0.63 1.25 0.87 -0.74 0.17 113.55 116.10 1cgo h SER 94 Ca 0.20 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1cgo h SER 94 Cb 0.14 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1cgo h SER 94 CO -0.02 0.59 0.19 0.00 -0.53 0.00 0.00 176.83 177.05 1cgo h ALA 95 N 1.34 1.09 -0.49 6.23 0.00 -0.57 0.20 119.26 127.07 1cgo h ALA 95 Ca 0.32 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1cgo h ALA 95 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1cgo h ALA 95 CO -0.11 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 1cgo h ALA 96 N 1.23 0.84 -0.59 0.00 0.00 -0.20 -1.52 119.26 119.03 1cgo h ALA 96 Ca 0.21 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1cgo h ALA 96 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1cgo h ALA 96 CO -0.00 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.88 1cgo h ALA 97 N 1.02 0.86 -0.03 0.00 0.00 -0.16 -2.41 119.26 118.54 1cgo h ALA 97 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1cgo h ALA 97 Cb 0.67 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1cgo h ALA 97 CO 0.05 0.66 -0.38 -0.44 0.00 0.00 0.00 179.25 179.14 1cgo h ASP 98 N 0.95 0.06 0.84 0.00 3.32 -0.78 -2.07 116.42 118.73 1cgo h ASP 98 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1cgo h ASP 98 Cb 0.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1cgo h ASP 98 CO 0.03 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 1cgo n ALA 99 N -2.47 2.37 -2.89 3.45 0.00 -0.59 -4.91 120.51 115.48 1cgo n ALA 99 Ca -0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1cgo n ALA 99 Cb 0.42 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.43 1cgo n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgo n GLY 100 N 1.40 -0.51 3.25 0.00 0.00 -0.78 -4.98 105.19 103.58 1cgo n GLY 100 Ca 0.10 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1cgo n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cgo s ASP 101 N -2.58 5.01 0.40 1.61 2.15 -1.23 -5.00 116.67 117.04 1cgo s ASP 101 Ca 0.24 -1.04 0.12 0.00 0.43 0.00 0.00 52.55 52.30 1cgo s ASP 101 Cb -0.11 -1.80 0.93 0.00 -0.30 0.00 0.00 42.92 41.65 1cgo s ASP 101 CO 0.30 -0.25 1.95 0.25 -0.17 0.00 0.00 175.17 177.25 1cgo h LEU 102 N 8.13 0.48 -0.27 -1.34 6.46 -1.93 -0.57 115.31 126.27 1cgo h LEU 102 Ca -0.26 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.42 1cgo h LEU 102 Cb 1.09 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1cgo h LEU 102 CO 0.58 0.28 -0.20 0.44 -0.62 0.00 0.00 178.44 178.93 1cgo h ASP 103 N 0.53 0.65 -0.46 1.25 3.32 -1.98 -0.78 116.42 118.95 1cgo h ASP 103 Ca 0.33 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1cgo h ASP 103 Cb 0.55 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1cgo h ASP 103 CO -0.11 0.95 -0.04 0.11 -1.72 0.00 0.00 179.24 178.43 1cgo h LYS 104 N 0.35 0.83 -0.47 3.56 1.57 -1.85 -2.51 116.57 118.06 1cgo h LYS 104 Ca 0.05 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1cgo h LYS 104 Cb 0.74 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1cgo h LYS 104 CO 0.05 0.91 0.24 1.25 -0.57 0.00 0.00 179.45 181.33 1cgo h LEU 105 N 0.68 0.35 -0.30 2.94 5.85 -0.89 -0.57 115.31 123.38 1cgo h LEU 105 Ca 0.12 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1cgo h LEU 105 Cb 0.56 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1cgo h LEU 105 CO 0.03 0.25 0.07 -0.09 -0.34 0.00 0.00 178.44 178.36 1cgo h ARG 106 N 0.48 0.18 -0.44 1.25 2.43 -1.06 0.37 114.38 117.59 1cgo h ARG 106 Ca 0.20 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1cgo h ARG 106 Cb 0.10 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1cgo h ARG 106 CO -0.13 0.12 0.24 0.00 -1.51 0.00 0.00 179.97 178.69 1cgo h ALA 107 N 1.21 0.56 -0.57 2.80 0.00 -1.04 -1.91 119.26 120.30 1cgo h ALA 107 Ca 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1cgo h ALA 107 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1cgo h ALA 107 CO -0.17 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.12 1cgo h ALA 108 N 1.10 0.85 -0.78 0.00 0.00 -0.77 -2.38 119.26 117.27 1cgo h ALA 108 Ca 0.15 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1cgo h ALA 108 Cb 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1cgo h ALA 108 CO -0.03 0.66 0.52 0.35 0.00 0.00 0.00 179.25 180.75 1cgo h PHE 109 N 0.93 0.98 -0.67 0.00 3.57 0.04 -0.79 116.94 120.99 1cgo h PHE 109 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1cgo h PHE 109 Cb 0.59 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1cgo h PHE 109 CO 0.04 0.61 0.29 0.78 -2.23 0.00 0.00 178.31 177.79 1cgo h GLY 110 N 1.05 1.07 0.99 2.40 0.00 -1.13 -0.67 103.07 106.77 1cgo h GLY 110 Ca 0.29 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1cgo h GLY 110 CO -0.07 0.53 0.26 -0.55 0.00 0.00 0.00 176.54 176.71 1cgo h ASP 111 N 0.95 0.78 -0.13 0.19 3.32 -0.89 0.76 116.42 121.39 1cgo h ASP 111 Ca 0.23 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1cgo h ASP 111 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1cgo h ASP 111 CO -0.02 0.71 0.09 0.58 -1.72 0.00 0.00 179.24 178.87 1cgo h VAL 112 N 0.79 1.03 -0.75 -1.35 2.07 -0.90 -2.17 116.25 114.97 1cgo h VAL 112 Ca 0.20 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1cgo h VAL 112 Cb 0.15 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1cgo h VAL 112 CO -0.02 0.03 0.42 1.23 0.02 0.00 0.00 177.57 179.25 1cgo h GLY 113 N 0.18 1.13 1.94 2.17 0.00 -0.75 -0.64 103.07 107.09 1cgo h GLY 113 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1cgo h GLY 113 CO -0.02 0.15 -0.26 0.00 0.00 0.00 0.00 176.54 176.41 1cgo h ALA 114 N 1.40 1.48 -0.44 3.60 0.00 -0.43 -2.35 119.26 122.53 1cgo h ALA 114 Ca 0.35 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1cgo h ALA 114 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cgo h ALA 114 CO -0.21 0.38 -0.26 0.77 0.00 0.00 0.00 179.25 179.92 1cgo h SER 115 N 0.07 0.98 -0.18 0.00 0.02 -0.55 -0.17 113.55 113.72 1cgo h SER 115 Ca 0.01 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1cgo h SER 115 Cb 0.50 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1cgo h SER 115 CO 0.04 1.19 0.11 0.00 -1.14 0.00 0.00 176.83 177.02 1cgo h LYS 117 N 0.22 1.08 -0.87 0.00 3.64 -1.25 -2.41 116.57 116.98 1cgo h LYS 117 Ca 0.07 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1cgo h LYS 117 Cb -0.01 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 1cgo h LYS 117 CO -0.03 0.71 0.57 0.00 -2.27 0.00 0.00 179.45 178.44 1cgo h ALA 118 N 1.34 1.13 -0.19 5.00 0.00 -0.92 -1.53 119.26 124.09 1cgo h ALA 118 Ca 0.34 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1cgo h ALA 118 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1cgo h ALA 118 CO -0.10 0.46 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 1cgo h HIS 120 N 0.08 0.86 -0.72 0.00 -0.00 -1.16 0.54 115.15 114.75 1cgo h HIS 120 Ca 0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1cgo h HIS 120 Cb 0.51 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1cgo h HIS 120 CO 0.05 0.40 0.43 -0.44 -0.00 0.00 0.00 177.93 178.37 1cgo h ASP 121 N 0.80 0.87 0.32 2.45 3.32 -1.21 -2.24 116.42 120.73 1cgo h ASP 121 Ca 0.39 -0.07 -0.33 0.00 0.02 0.00 0.00 57.03 57.05 1cgo h ASP 121 Cb 0.44 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1cgo h ASP 121 CO -0.16 0.68 -1.77 0.00 -1.72 0.00 0.00 179.24 176.27 1cgo h ALA 122 N 1.23 0.46 0.00 3.45 0.00 -1.39 -3.43 119.26 119.56 1cgo h ALA 122 Ca 0.26 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1cgo h ALA 122 Cb -0.03 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1cgo h ALA 122 CO -0.05 1.32 0.00 0.66 0.00 0.00 0.00 179.25 181.18 1cgo n TYR 123 N -3.37 0.00 -4.68 0.00 4.01 0.18 -4.96 117.16 108.34 1cgo n TYR 123 Ca -0.23 -0.33 -0.33 0.00 -0.16 0.00 0.00 57.90 56.85 1cgo n TYR 123 Cb 1.05 -0.03 -0.14 0.00 -0.31 0.00 0.00 39.34 39.91 1cgo n TYR 123 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1cgo s ARG 124 N -0.66 3.41 0.00 -0.72 3.52 -0.85 -1.27 118.95 122.38 1cgo s ARG 124 Ca 0.00 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1cgo s ARG 124 Cb 0.00 -2.69 0.34 0.00 -1.56 0.00 0.00 34.95 31.04 1cgo s ARG 124 CO 0.00 0.25 0.81 1.63 -0.81 0.00 0.00 175.30 177.18