#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgn h ALA 3 N 0.00 0.09 -2.45 4.37 0.00 -2.02 -3.47 119.26 115.78 1cgn h ALA 3 Ca 0.00 -0.57 -0.56 0.00 0.00 0.00 0.00 54.91 53.78 1cgn h ALA 3 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 1cgn h ALA 3 CO 0.00 0.37 -0.76 0.15 0.00 0.00 0.00 179.25 179.01 1cgn s LYS 4 N -3.26 1.49 0.35 0.00 3.01 -1.26 -5.02 119.74 115.05 1cgn s LYS 4 Ca -0.13 -1.63 0.04 0.00 -1.01 0.00 0.00 55.97 53.24 1cgn s LYS 4 Cb 0.04 -1.52 0.65 0.00 -1.01 0.00 0.00 37.83 35.99 1cgn s LYS 4 CO 0.83 0.29 1.95 -1.35 0.51 0.00 0.00 175.35 177.57 1cgn h PRO 5 N 2.63 0.64 -0.52 -1.68 0.11 -1.90 -2.11 132.00 129.16 1cgn h PRO 5 Ca -0.41 -0.08 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1cgn h PRO 5 Cb 1.23 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1cgn h PRO 5 CO 0.58 0.53 0.35 0.93 -0.21 0.00 0.00 178.00 180.17 1cgn h GLU 6 N 0.64 0.44 -0.22 1.05 3.07 -1.92 -1.08 114.58 116.56 1cgn h GLU 6 Ca 0.16 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.86 1cgn h GLU 6 Cb 0.12 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1cgn h GLU 6 CO -0.02 0.29 -0.42 -0.44 -1.40 0.00 0.00 179.01 177.02 1cgn h ASP 7 N 0.45 0.56 -0.01 1.42 3.32 -1.79 -0.03 116.42 120.34 1cgn h ASP 7 Ca 0.23 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1cgn h ASP 7 Cb 0.32 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1cgn h ASP 7 CO -0.06 0.91 -0.51 0.00 -1.72 0.00 0.00 179.24 177.86 1cgn h ALA 8 N 1.11 0.73 0.02 3.45 0.00 -1.25 -1.18 119.26 122.14 1cgn h ALA 8 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1cgn h ALA 8 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1cgn h ALA 8 CO 0.08 0.68 -0.01 0.28 0.00 0.00 0.00 179.25 180.28 1cgn h VAL 9 N 0.45 1.11 -0.93 0.00 2.07 -1.05 -0.29 116.25 117.62 1cgn h VAL 9 Ca 0.02 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1cgn h VAL 9 Cb 1.04 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1cgn h VAL 9 CO 0.10 0.10 0.62 0.50 0.02 0.00 0.00 177.57 178.91 1cgn h LYS 10 N -0.20 1.23 0.15 1.57 3.64 -0.92 -0.50 116.57 121.54 1cgn h LYS 10 Ca -0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1cgn h LYS 10 Cb 0.19 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1cgn h LYS 10 CO 0.00 0.81 -0.07 -0.92 -2.27 0.00 0.00 179.45 177.00 1cgn h TYR 11 N 1.26 -0.19 -0.59 1.91 5.03 -0.96 -2.13 116.97 121.30 1cgn h TYR 11 Ca 0.34 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.57 1cgn h TYR 11 Cb -0.14 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1cgn h TYR 11 CO -0.01 -0.04 0.05 0.07 -1.32 0.00 0.00 178.16 176.92 1cgn h ARG 12 N -0.30 0.98 -0.32 1.82 0.11 -0.80 -0.57 114.38 115.31 1cgn h ARG 12 Ca -0.02 -0.27 -0.05 0.00 0.10 0.00 0.00 59.98 59.75 1cgn h ARG 12 Cb 0.24 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 1cgn h ARG 12 CO 0.03 0.93 0.00 1.96 0.10 0.00 0.00 179.97 183.00 1cgn h GLN 13 N 0.92 0.49 -0.27 0.08 4.20 -1.01 -1.03 115.11 118.49 1cgn h GLN 13 Ca 0.18 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1cgn h GLN 13 Cb 0.46 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1cgn h GLN 13 CO 0.02 0.51 -0.02 0.77 -0.67 0.00 0.00 178.83 179.44 1cgn h SER 14 N 0.47 0.48 -0.42 1.46 0.02 -0.86 0.10 113.55 114.80 1cgn h SER 14 Ca 0.10 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1cgn h SER 14 Cb 0.31 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1cgn h SER 14 CO 0.01 0.70 0.24 0.00 -1.14 0.00 0.00 176.83 176.64 1cgn h ALA 15 N 0.80 0.53 -0.74 3.77 0.00 -0.74 -0.42 119.26 122.46 1cgn h ALA 15 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cgn h ALA 15 Cb 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1cgn h ALA 15 CO 0.02 0.04 0.45 -0.07 0.00 0.00 0.00 179.25 179.68 1cgn h LEU 16 N 0.55 0.89 -0.25 0.00 3.38 -1.05 0.16 115.31 119.00 1cgn h LEU 16 Ca 0.15 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1cgn h LEU 16 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1cgn h LEU 16 CO -0.03 0.69 0.15 0.74 0.09 0.00 0.00 178.44 180.09 1cgn h THR 17 N 1.02 1.04 -0.71 0.22 2.02 -0.40 0.50 112.91 116.60 1cgn h THR 17 Ca 0.27 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1cgn h THR 17 Cb -0.04 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1cgn h THR 17 CO -0.05 0.06 0.31 -0.07 0.37 0.00 0.00 175.52 176.14 1cgn h LEU 18 N 0.31 0.96 -0.79 2.58 3.38 -0.51 -2.22 115.31 119.03 1cgn h LEU 18 Ca 0.09 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1cgn h LEU 18 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1cgn h LEU 18 CO -0.04 0.85 0.03 0.00 0.09 0.00 0.00 178.44 179.37 1cgn h MET 19 N 1.01 0.95 -0.80 1.13 -0.00 -0.21 -1.78 114.93 115.22 1cgn h MET 19 Ca 0.24 -0.26 0.09 0.00 -0.00 0.00 0.00 59.70 59.77 1cgn h MET 19 Cb 0.17 -0.10 -0.07 0.00 -0.00 0.00 0.00 31.60 31.59 1cgn h MET 19 CO -0.03 0.92 0.45 0.00 -0.00 0.00 0.00 176.91 178.25 1cgn h ALA 20 N 1.15 1.13 -0.29 -3.00 0.00 -0.44 -0.27 119.26 117.54 1cgn h ALA 20 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1cgn h ALA 20 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1cgn h ALA 20 CO 0.02 0.08 0.12 1.03 0.00 0.00 0.00 179.25 180.51 1cgn h SER 21 N 0.76 0.39 0.15 0.00 0.87 -0.83 0.30 113.55 115.19 1cgn h SER 21 Ca 0.38 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1cgn h SER 21 Cb 0.34 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1cgn h SER 21 CO -0.24 0.43 -0.29 0.45 -0.53 0.00 0.00 176.83 176.65 1cgn h HIS 22 N 0.32 0.26 0.00 2.24 3.86 -0.80 -1.74 115.15 119.28 1cgn h HIS 22 Ca 0.10 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1cgn h HIS 22 Cb 0.16 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1cgn h HIS 22 CO -0.01 0.50 -0.02 0.35 0.86 0.00 0.00 177.93 179.62 1cgn h PHE 23 N 0.21 0.00 -0.94 2.45 3.57 -0.90 -3.37 116.94 117.96 1cgn h PHE 23 Ca 0.03 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.72 1cgn h PHE 23 Cb 0.62 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 1cgn h PHE 23 CO 0.01 0.46 0.60 0.78 -2.23 0.00 0.00 178.31 177.93 1cgn h GLY 24 N -1.00 1.20 2.00 2.40 0.00 -0.41 -0.94 103.07 106.32 1cgn h GLY 24 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1cgn h GLY 24 CO -0.00 -0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1cgn h ARG 25 N 0.57 0.00 -0.00 4.80 0.11 -1.47 -2.29 114.38 116.09 1cgn h ARG 25 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 1cgn h ARG 25 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1cgn h ARG 25 CO -0.24 0.00 -0.38 -1.33 0.10 0.00 0.00 179.97 178.12 1cgn n MET 26 N -2.95 0.18 -0.17 0.08 2.81 -0.36 -4.38 117.12 112.33 1cgn n MET 26 Ca -0.03 -0.09 -0.02 0.00 -1.81 0.00 0.00 57.70 55.76 1cgn n MET 26 Cb 0.08 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1cgn n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1cgn h ALA 27 N 3.15 0.60 -0.07 3.04 0.00 -1.55 -0.39 119.26 124.04 1cgn h ALA 27 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1cgn h ALA 27 Cb 0.49 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1cgn h ALA 27 CO 0.00 -0.30 -0.15 -1.35 0.00 0.00 0.00 179.25 177.45 1cgn h PRO 28 N 0.25 0.11 -0.12 0.00 0.11 -1.81 0.11 132.00 130.64 1cgn h PRO 28 Ca 0.27 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1cgn h PRO 28 Cb 0.36 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1cgn h PRO 28 CO -0.34 0.27 -0.34 0.28 -0.21 0.00 0.00 178.00 177.66 1cgn h VAL 29 N 0.10 1.38 -0.07 3.15 2.07 -1.59 0.45 116.25 121.74 1cgn h VAL 29 Ca 0.02 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 1cgn h VAL 29 Cb 0.34 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1cgn h VAL 29 CO 0.02 0.49 -0.19 0.58 0.02 0.00 0.00 177.57 178.49 1cgn h VAL 30 N 0.02 1.18 -0.00 2.57 2.07 -0.70 -1.33 116.25 120.06 1cgn h VAL 30 Ca -0.01 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1cgn h VAL 30 Cb 0.96 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1cgn h VAL 30 CO 0.07 0.24 -0.21 0.29 0.02 0.00 0.00 177.57 177.99 1cgn n LYS 31 N -4.26 0.33 -0.60 1.57 5.02 0.33 -4.90 118.16 115.64 1cgn n LYS 31 Ca -0.02 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1cgn n LYS 31 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1cgn n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cgn n GLY 32 N 1.40 0.77 0.05 0.72 0.00 -0.50 -4.90 105.19 102.73 1cgn n GLY 32 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1cgn n GLY 32 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cgn n GLN 33 N -2.16 0.15 -4.21 1.61 6.02 0.15 -4.81 117.38 114.13 1cgn n GLN 33 Ca 0.00 0.08 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 1cgn n GLN 33 Cb 0.00 -1.63 -0.12 0.00 1.02 0.00 0.00 30.24 29.51 1cgn n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cgn s ALA 34 N -3.07 1.36 0.69 -1.58 0.00 -0.74 -4.95 121.76 113.47 1cgn s ALA 34 Ca 0.10 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1cgn s ALA 34 Cb 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1cgn s ALA 34 CO 0.63 0.14 1.10 -1.25 0.00 0.00 0.00 175.76 176.39 1cgn s PRO 35 N -2.20 2.65 -0.30 0.00 0.04 -1.26 -4.49 135.00 129.44 1cgn s PRO 35 Ca 0.04 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.28 1cgn s PRO 35 Cb -0.07 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1cgn s PRO 35 CO 0.03 -1.35 0.16 -0.47 0.04 0.00 0.00 177.00 175.41 1cgn s TYR 36 N -2.53 3.18 -0.26 0.56 5.04 -1.26 -4.88 117.35 117.21 1cgn s TYR 36 Ca 0.65 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.92 1cgn s TYR 36 Cb -0.19 -2.37 0.06 0.00 0.35 0.00 0.00 41.96 39.81 1cgn s TYR 36 CO 0.46 -0.38 -0.10 0.34 -1.34 0.00 0.00 175.55 174.53 1cgn s ASP 37 N 1.66 4.35 0.22 4.32 -1.08 -1.26 -5.01 116.67 119.87 1cgn s ASP 37 Ca 0.05 -1.37 -0.07 0.00 -0.52 0.00 0.00 52.55 50.63 1cgn s ASP 37 Cb -0.17 -1.48 0.36 0.00 -1.46 0.00 0.00 42.92 40.17 1cgn s ASP 37 CO 0.07 -0.20 1.71 0.00 0.52 0.00 0.00 175.17 177.28 1cgn h ALA 38 N 7.80 0.85 -0.45 3.66 0.00 -1.95 -1.34 119.26 127.83 1cgn h ALA 38 Ca -0.19 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1cgn h ALA 38 Cb 1.05 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1cgn h ALA 38 CO 0.45 -0.27 0.16 0.00 0.00 0.00 0.00 179.25 179.59 1cgn h ALA 39 N 1.51 0.59 -0.39 0.00 0.00 -1.94 0.03 119.26 119.06 1cgn h ALA 39 Ca 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1cgn h ALA 39 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cgn h ALA 39 CO -0.41 0.22 0.15 0.37 0.00 0.00 0.00 179.25 179.59 1cgn h GLN 40 N 0.59 0.58 -0.35 0.00 4.15 -1.92 -1.49 115.11 116.67 1cgn h GLN 40 Ca 0.15 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1cgn h GLN 40 Cb 0.24 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1cgn h GLN 40 CO -0.01 0.56 0.12 0.82 -1.93 0.00 0.00 178.83 178.39 1cgn h ILE 41 N 0.48 1.20 -0.74 2.39 1.08 -1.12 -1.38 117.51 119.42 1cgn h ILE 41 Ca 0.13 -0.63 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 1cgn h ILE 41 Cb 0.20 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 1cgn h ILE 41 CO -0.01 0.22 0.44 0.50 -0.69 0.00 0.00 178.15 178.61 1cgn h LYS 42 N 0.41 0.78 -0.33 2.37 3.64 -0.79 -0.11 116.57 122.54 1cgn h LYS 42 Ca 0.11 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1cgn h LYS 42 Cb 0.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1cgn h LYS 42 CO -0.01 0.52 -0.36 0.00 -2.27 0.00 0.00 179.45 177.33 1cgn h ALA 43 N 1.36 0.73 -0.56 5.00 0.00 -1.07 -1.65 119.26 123.08 1cgn h ALA 43 Ca 0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1cgn h ALA 43 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1cgn h ALA 43 CO -0.17 0.66 0.24 -0.97 0.00 0.00 0.00 179.25 179.01 1cgn h ASN 44 N 0.64 0.75 -0.58 0.00 -0.73 -0.50 -2.58 115.58 112.59 1cgn h ASN 44 Ca 0.06 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.04 1cgn h ASN 44 Cb 0.91 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 1cgn h ASN 44 CO 0.08 0.70 0.23 0.58 -0.37 0.00 0.00 177.43 178.65 1cgn h VAL 45 N 0.76 1.22 -0.49 2.57 2.07 -0.90 0.08 116.25 121.56 1cgn h VAL 45 Ca 0.19 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1cgn h VAL 45 Cb 0.17 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1cgn h VAL 45 CO -0.02 0.28 0.23 -0.33 0.02 0.00 0.00 177.57 177.75 1cgn h GLU 46 N 0.89 0.43 -0.13 1.57 3.07 -0.99 0.33 114.58 119.75 1cgn h GLU 46 Ca 0.21 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1cgn h GLU 46 Cb 0.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1cgn h GLU 46 CO -0.02 0.29 0.07 0.28 -1.40 0.00 0.00 179.01 178.23 1cgn h VAL 47 N 0.45 1.09 -0.70 3.13 2.07 -1.00 -2.28 116.25 119.02 1cgn h VAL 47 Ca 0.22 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1cgn h VAL 47 Cb 0.16 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1cgn h VAL 47 CO -0.17 0.09 0.36 0.25 0.02 0.00 0.00 177.57 178.11 1cgn h LEU 48 N 0.11 0.49 -1.13 2.57 5.85 -0.28 0.74 115.31 123.66 1cgn h LEU 48 Ca 0.05 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1cgn h LEU 48 Cb 0.07 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1cgn h LEU 48 CO -0.01 0.29 0.59 0.50 -0.34 0.00 0.00 178.44 179.47 1cgn h LYS 49 N 0.63 1.13 -0.19 1.25 3.64 -0.07 0.22 116.57 123.18 1cgn h LYS 49 Ca 0.34 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1cgn h LYS 49 Cb 0.32 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1cgn h LYS 49 CO -0.24 0.75 -0.15 1.15 -2.27 0.00 0.00 179.45 178.69 1cgn h THR 50 N 1.17 1.33 -0.84 1.00 2.02 -0.63 -3.17 112.91 113.78 1cgn h THR 50 Ca 0.34 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1cgn h THR 50 Cb -0.07 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1cgn h THR 50 CO -0.09 0.38 0.41 -0.07 0.37 0.00 0.00 175.52 176.53 1cgn h LEU 51 N 0.10 1.09 -1.22 2.58 3.38 -0.34 -2.92 115.31 117.97 1cgn h LEU 51 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1cgn h LEU 51 Cb 0.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1cgn h LEU 51 CO 0.04 0.91 0.00 0.35 0.09 0.00 0.00 178.44 179.83 1cgn n THR 52 N -4.31 1.05 0.16 0.22 -2.24 0.71 -1.74 114.28 108.13 1cgn n THR 52 Ca 0.08 0.63 0.11 0.00 -2.27 0.00 0.00 64.05 62.61 1cgn n THR 52 Cb 0.14 -1.62 -0.02 0.00 -2.10 0.00 0.00 70.33 66.73 1cgn n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgn n ALA 53 N -1.76 2.68 0.11 6.98 0.00 -1.10 -4.58 120.51 122.83 1cgn n ALA 53 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1cgn n ALA 53 Cb 0.07 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1cgn n ALA 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cgn h LEU 54 N 0.00 -0.17 -1.25 0.00 4.07 -1.44 -3.35 115.31 113.16 1cgn h LEU 54 Ca 0.00 -0.03 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1cgn h LEU 54 Cb 0.96 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.69 1cgn h LEU 54 CO 0.00 -0.08 0.53 -0.65 -1.08 0.00 0.00 178.44 177.16 1cgn h PRO 55 N -0.24 0.91 -0.83 1.13 0.11 -1.81 -3.22 132.00 128.05 1cgn h PRO 55 Ca -0.02 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 66.21 1cgn h PRO 55 Cb 0.19 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 1cgn h PRO 55 CO 0.03 0.60 0.55 -1.49 -0.21 0.00 0.00 178.00 177.49 1cgn h TRP 56 N 0.93 0.55 0.00 0.65 -0.00 -1.89 -1.52 115.95 114.68 1cgn h TRP 56 Ca 0.34 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.24 1cgn h TRP 56 Cb 0.15 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1cgn h TRP 56 CO -0.00 0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.62 1cgn n ALA 57 N -2.51 1.80 -0.91 1.49 0.00 -1.22 -3.01 120.51 116.15 1cgn n ALA 57 Ca 0.17 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1cgn n ALA 57 Cb 0.59 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 19.07 1cgn n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgn n ALA 58 N -1.66 4.05 -1.78 0.00 0.00 -0.57 -4.25 120.51 116.29 1cgn n ALA 58 Ca 0.03 -1.99 -0.11 0.00 0.00 0.00 0.00 53.44 51.37 1cgn n ALA 58 Cb 0.25 -1.16 0.11 0.00 0.00 0.00 0.00 19.45 18.65 1cgn n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1cgn n PHE 59 N 0.46 1.55 -1.63 0.00 3.72 -1.16 -4.68 117.46 115.72 1cgn n PHE 59 Ca 0.31 -1.92 -0.29 0.00 -0.05 0.00 0.00 57.45 55.49 1cgn n PHE 59 Cb 1.24 -0.36 0.10 0.00 -0.94 0.00 0.00 39.48 39.52 1cgn n PHE 59 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1cgn s GLY 60 N -3.30 1.60 0.23 1.37 0.00 -1.26 -4.89 107.32 101.08 1cgn s GLY 60 Ca 0.46 -0.40 -0.32 0.00 0.00 0.00 0.00 44.72 44.47 1cgn s GLY 60 CO -0.01 0.08 1.47 0.00 0.00 0.00 0.00 173.10 174.64 1cgn n ALA 61 N -3.49 1.40 -0.10 3.20 0.00 -1.26 -1.19 120.51 119.06 1cgn n ALA 61 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1cgn n ALA 61 Cb 0.58 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1cgn n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgn n GLY 62 N 2.41 0.53 1.36 0.00 0.00 -1.26 -4.91 105.19 103.32 1cgn n GLY 62 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1cgn n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cgn n THR 63 N -2.00 2.57 -1.76 2.61 -2.24 -0.33 -4.53 114.28 108.60 1cgn n THR 63 Ca 0.00 -1.90 -0.41 0.00 -2.27 0.00 0.00 64.05 59.47 1cgn n THR 63 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1cgn n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cgn n GLU 64 N -0.38 2.50 -0.87 -0.78 4.71 -1.26 -4.78 120.64 119.78 1cgn n GLU 64 Ca 0.29 0.88 0.00 0.00 -0.01 0.00 0.00 57.16 58.32 1cgn n GLU 64 Cb 1.09 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1cgn n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cgn n GLY 65 N 0.54 0.30 7.00 0.62 0.00 -1.26 -4.90 105.19 107.49 1cgn n GLY 65 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1cgn n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgn n GLY 66 N -1.03 1.46 1.61 -0.02 0.00 -1.26 -2.60 105.19 103.35 1cgn n GLY 66 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.49 1cgn n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cgn n ASP 67 N -2.17 4.36 -4.69 1.61 8.00 -1.26 -4.91 116.55 117.49 1cgn n ASP 67 Ca 0.00 -2.79 -0.42 0.00 0.71 0.00 0.00 54.79 52.29 1cgn n ASP 67 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 1cgn n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cgn s ALA 68 N -2.34 3.41 0.55 2.24 0.00 -1.07 0.49 121.76 125.03 1cgn s ALA 68 Ca 0.41 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1cgn s ALA 68 Cb 0.32 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1cgn s ALA 68 CO 0.11 -0.57 1.05 1.03 0.00 0.00 0.00 175.76 177.39 1cgn s ARG 69 N 1.92 3.50 0.56 0.00 0.52 -0.66 -4.67 118.95 120.13 1cgn s ARG 69 Ca 0.46 1.28 0.31 0.00 -0.52 0.00 0.00 55.73 57.26 1cgn s ARG 69 Cb -0.18 -2.06 1.69 0.00 0.52 0.00 0.00 34.95 34.92 1cgn s ARG 69 CO 0.17 -0.67 2.16 -1.35 0.02 0.00 0.00 175.30 175.63 1cgn h PRO 70 N 0.88 0.00 -0.00 3.54 0.11 -1.96 -1.99 132.00 132.59 1cgn h PRO 70 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cgn h PRO 70 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1cgn h PRO 70 CO 0.58 0.06 0.02 0.93 -0.21 0.00 0.00 178.00 179.39 1cgn h GLU 71 N 0.00 0.00 -0.66 1.05 3.07 -1.91 -0.46 114.58 115.67 1cgn h GLU 71 Ca -0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1cgn h GLU 71 Cb 0.22 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1cgn h GLU 71 CO 0.01 0.00 0.43 0.82 -1.40 0.00 0.00 179.01 178.87 1cgn h ILE 72 N 0.00 1.13 0.12 3.13 2.04 -1.65 0.27 117.51 122.54 1cgn h ILE 72 Ca 0.00 -0.29 -0.34 0.00 1.00 0.00 0.00 64.86 65.23 1cgn h ILE 72 Cb 0.04 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1cgn h ILE 72 CO -0.00 0.15 -1.83 -0.50 0.00 0.00 0.00 178.15 175.98 1cgn h TRP 73 N 0.83 0.48 -0.48 1.37 6.55 -1.32 -3.09 115.95 120.30 1cgn h TRP 73 Ca 0.25 -0.35 -0.11 0.00 0.95 0.00 0.00 58.89 59.63 1cgn h TRP 73 Cb -0.01 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.25 1cgn h TRP 73 CO -0.00 1.72 -0.14 0.77 -1.05 0.00 0.00 178.44 179.74 1cgn h SER 74 N -0.06 0.90 -1.80 -3.49 0.02 -1.38 -3.31 113.55 104.44 1cgn h SER 74 Ca -0.39 -0.30 -0.60 0.00 -0.84 0.00 0.00 61.79 59.66 1cgn h SER 74 Cb 1.95 -0.25 -0.41 0.00 0.14 0.00 0.00 62.40 63.83 1cgn h SER 74 CO 0.07 1.04 -0.60 -0.67 -1.14 0.00 0.00 176.83 175.54 1cgn n ASP 75 N -4.14 4.81 -0.36 3.07 2.03 0.93 -4.89 116.55 118.00 1cgn n ASP 75 Ca 0.01 -3.71 0.04 0.00 0.52 0.00 0.00 54.79 51.65 1cgn n ASP 75 Cb 0.40 -0.53 0.19 0.00 -0.72 0.00 0.00 41.12 40.46 1cgn n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cgn h ALA 76 N 2.75 1.40 -0.83 -1.67 0.00 -1.63 -1.50 119.26 117.80 1cgn h ALA 76 Ca 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1cgn h ALA 76 Cb 0.74 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1cgn h ALA 76 CO 0.87 0.34 0.39 0.00 0.00 0.00 0.00 179.25 180.85 1cgn h ALA 77 N 1.48 1.12 -0.21 0.00 0.00 -1.90 0.69 119.26 120.44 1cgn h ALA 77 Ca 0.45 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1cgn h ALA 77 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1cgn h ALA 77 CO -0.21 0.66 -0.26 0.78 0.00 0.00 0.00 179.25 180.21 1cgn h GLY 78 N 1.19 0.44 1.04 0.00 0.00 -1.77 -1.84 103.07 102.13 1cgn h GLY 78 Ca 0.28 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1cgn h GLY 78 CO -0.03 0.32 -0.38 -2.75 0.00 0.00 0.00 176.54 173.70 1cgn h PHE 79 N 0.36 0.95 -0.67 5.60 3.57 -0.39 -1.97 116.94 124.39 1cgn h PHE 79 Ca 0.05 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 1cgn h PHE 79 Cb 0.66 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1cgn h PHE 79 CO 0.02 1.09 0.34 -0.22 -2.23 0.00 0.00 178.31 177.31 1cgn h LYS 80 N 0.54 0.95 -0.06 1.11 1.63 -0.73 -0.43 116.57 119.58 1cgn h LYS 80 Ca 0.04 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1cgn h LYS 80 Cb 0.97 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1cgn h LYS 80 CO 0.09 0.74 0.04 1.96 -3.45 0.00 0.00 179.45 178.82 1cgn h GLN 81 N 0.92 0.08 -0.71 1.90 4.20 -1.27 0.29 115.11 120.52 1cgn h GLN 81 Ca 0.23 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.98 1cgn h GLN 81 Cb 0.08 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1cgn h GLN 81 CO -0.03 0.08 0.43 0.87 -0.67 0.00 0.00 178.83 179.51 1cgn h LYS 82 N 0.06 0.80 -0.64 1.46 1.79 -1.06 0.72 116.57 119.70 1cgn h LYS 82 Ca 0.02 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1cgn h LYS 82 Cb 0.02 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 1cgn h LYS 82 CO -0.00 0.53 0.05 0.37 -1.08 0.00 0.00 179.45 179.32 1cgn h GLN 83 N 0.82 1.10 -0.33 3.15 4.15 -0.54 -2.56 115.11 120.90 1cgn h GLN 83 Ca 0.30 -0.32 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 1cgn h GLN 83 Cb 0.08 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1cgn h GLN 83 CO -0.14 1.04 -0.19 1.96 -1.93 0.00 0.00 178.83 179.57 1cgn h GLN 84 N 1.01 0.71 -0.58 1.69 4.20 0.17 -1.16 115.11 121.15 1cgn h GLN 84 Ca 0.19 -0.33 0.08 0.00 0.06 0.00 0.00 58.65 58.65 1cgn h GLN 84 Cb 0.51 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1cgn h GLN 84 CO 0.02 0.93 0.39 0.00 -0.67 0.00 0.00 178.83 179.50 1cgn h ALA 85 N 0.76 1.93 -0.15 3.87 0.00 -0.80 -0.84 119.26 124.03 1cgn h ALA 85 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cgn h ALA 85 Cb 0.74 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cgn h ALA 85 CO 0.05 -0.05 -0.05 0.35 0.00 0.00 0.00 179.25 179.56 1cgn h PHE 86 N 0.47 0.34 -0.32 0.00 3.57 -1.05 -1.62 116.94 118.31 1cgn h PHE 86 Ca 0.26 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1cgn h PHE 86 Cb 0.42 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1cgn h PHE 86 CO -0.00 0.60 -0.02 1.96 -2.23 0.00 0.00 178.31 178.62 1cgn h GLN 87 N -0.01 0.51 -0.73 1.11 4.20 -0.43 -1.39 115.11 118.36 1cgn h GLN 87 Ca 0.04 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1cgn h GLN 87 Cb 0.49 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1cgn h GLN 87 CO 0.02 0.55 0.35 -0.44 -0.67 0.00 0.00 178.83 178.64 1cgn h ASP 88 N 0.49 0.96 0.08 1.46 3.32 -1.05 -0.69 116.42 120.98 1cgn h ASP 88 Ca 0.10 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1cgn h ASP 88 Cb 0.35 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1cgn h ASP 88 CO 0.01 0.82 -0.29 0.78 -1.72 0.00 0.00 179.24 178.84 1cgn h ASN 89 N 1.02 0.33 -0.77 6.45 2.35 -0.75 -1.82 115.58 122.40 1cgn h ASN 89 Ca 0.25 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1cgn h ASN 89 Cb 0.12 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1cgn h ASN 89 CO -0.03 0.62 0.36 0.40 -1.65 0.00 0.00 177.43 177.12 1cgn h ILE 90 N 0.29 1.25 -0.58 2.81 1.08 -0.20 -0.51 117.51 121.65 1cgn h ILE 90 Ca 0.04 -0.72 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1cgn h ILE 90 Cb 0.67 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1cgn h ILE 90 CO 0.05 0.30 0.36 0.58 -0.69 0.00 0.00 178.15 178.75 1cgn h VAL 91 N 1.09 1.08 -0.79 1.67 2.07 -0.60 0.72 116.25 121.49 1cgn h VAL 91 Ca 0.26 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1cgn h VAL 91 Cb 0.14 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1cgn h VAL 91 CO -0.03 0.13 0.50 0.11 0.02 0.00 0.00 177.57 178.30 1cgn h LYS 92 N 0.72 1.05 -0.30 1.57 1.57 -0.53 -0.70 116.57 119.94 1cgn h LYS 92 Ca 0.23 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1cgn h LYS 92 Cb 0.00 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1cgn h LYS 92 CO -0.09 0.71 0.14 1.25 -0.57 0.00 0.00 179.45 180.89 1cgn h LEU 93 N 1.07 0.19 -0.49 2.94 5.85 -0.09 -1.37 115.31 123.41 1cgn h LEU 93 Ca 0.29 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.09 1cgn h LEU 93 Cb -0.09 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1cgn h LEU 93 CO -0.06 0.15 0.19 -1.28 -0.34 0.00 0.00 178.44 177.10 1cgn h SER 94 N 0.29 0.21 -0.81 1.25 0.87 -0.27 0.30 113.55 115.40 1cgn h SER 94 Ca 0.13 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1cgn h SER 94 Cb 0.06 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1cgn h SER 94 CO -0.10 0.15 0.37 0.00 -0.53 0.00 0.00 176.83 176.72 1cgn h ALA 95 N 1.32 1.04 -0.71 6.23 0.00 -0.70 -0.16 119.26 126.27 1cgn h ALA 95 Ca 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1cgn h ALA 95 Cb 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1cgn h ALA 95 CO -0.22 0.63 0.30 0.00 0.00 0.00 0.00 179.25 179.95 1cgn h ALA 96 N 1.19 0.93 -0.51 0.00 0.00 -0.48 -1.87 119.26 118.53 1cgn h ALA 96 Ca 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1cgn h ALA 96 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1cgn h ALA 96 CO -0.03 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.93 1cgn h ALA 97 N 1.14 0.66 -0.11 0.00 0.00 -0.47 -2.40 119.26 118.10 1cgn h ALA 97 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cgn h ALA 97 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1cgn h ALA 97 CO -0.02 0.30 -0.13 -0.44 0.00 0.00 0.00 179.25 178.95 1cgn h ASP 98 N 0.68 0.15 0.99 0.00 3.32 -0.75 -1.12 116.42 119.70 1cgn h ASP 98 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1cgn h ASP 98 Cb 0.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1cgn h ASP 98 CO -0.01 0.31 -0.14 0.00 -1.72 0.00 0.00 179.24 177.67 1cgn n ALA 99 N -2.50 2.59 -2.45 3.45 0.00 -0.73 -4.93 120.51 115.94 1cgn n ALA 99 Ca -0.01 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1cgn n ALA 99 Cb 0.25 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1cgn n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgn n GLY 100 N 1.45 -0.17 3.25 0.00 0.00 -0.43 -4.99 105.19 104.31 1cgn n GLY 100 Ca 0.06 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1cgn n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cgn s ASP 101 N -2.53 5.34 0.42 1.61 -1.08 -1.19 -4.99 116.67 114.24 1cgn s ASP 101 Ca 0.08 -1.28 0.10 0.00 -0.52 0.00 0.00 52.55 50.92 1cgn s ASP 101 Cb -0.03 -1.88 0.91 0.00 -1.46 0.00 0.00 42.92 40.47 1cgn s ASP 101 CO 0.09 -0.38 2.02 0.25 0.52 0.00 0.00 175.17 177.68 1cgn h LEU 102 N 8.22 0.45 -0.32 -1.34 6.46 -1.94 0.13 115.31 126.97 1cgn h LEU 102 Ca -0.22 -0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.41 1cgn h LEU 102 Cb 1.08 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1cgn h LEU 102 CO 0.63 0.30 -0.31 0.44 -0.62 0.00 0.00 178.44 178.88 1cgn h ASP 103 N 0.52 0.83 -0.15 1.25 3.32 -1.98 -1.01 116.42 119.19 1cgn h ASP 103 Ca 0.21 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1cgn h ASP 103 Cb 0.19 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1cgn h ASP 103 CO -0.06 1.12 -0.01 0.11 -1.72 0.00 0.00 179.24 178.69 1cgn h LYS 104 N 0.54 0.27 -0.89 3.56 1.57 -1.84 -1.79 116.57 117.99 1cgn h LYS 104 Ca 0.05 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1cgn h LYS 104 Cb 0.89 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.11 1cgn h LYS 104 CO 0.08 0.51 0.56 1.25 -0.57 0.00 0.00 179.45 181.27 1cgn h LEU 105 N 0.01 0.88 0.06 2.94 5.85 -0.62 -0.31 115.31 124.12 1cgn h LEU 105 Ca 0.04 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1cgn h LEU 105 Cb 0.39 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1cgn h LEU 105 CO 0.01 0.55 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.54 1cgn h ARG 106 N 1.01 -0.08 -0.17 1.25 2.43 -0.99 0.60 114.38 118.42 1cgn h ARG 106 Ca 0.39 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1cgn h ARG 106 Cb 0.19 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1cgn h ARG 106 CO -0.18 -0.01 0.11 0.00 -1.51 0.00 0.00 179.97 178.38 1cgn h ALA 107 N 0.81 0.22 -0.51 2.80 0.00 -0.92 -2.55 119.26 119.11 1cgn h ALA 107 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1cgn h ALA 107 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1cgn h ALA 107 CO 0.01 -0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.17 1cgn h ALA 108 N 1.03 1.38 -0.63 0.00 0.00 -0.88 -1.69 119.26 118.47 1cgn h ALA 108 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cgn h ALA 108 Cb 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1cgn h ALA 108 CO -0.01 0.47 0.38 0.35 0.00 0.00 0.00 179.25 180.44 1cgn h PHE 109 N 0.73 0.72 -0.63 0.00 3.57 0.49 -0.63 116.94 121.18 1cgn h PHE 109 Ca 0.17 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1cgn h PHE 109 Cb 0.17 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1cgn h PHE 109 CO 0.01 0.40 0.19 0.78 -2.23 0.00 0.00 178.31 177.47 1cgn h GLY 110 N 0.75 1.05 0.97 2.40 0.00 -0.98 -0.55 103.07 106.72 1cgn h GLY 110 Ca 0.26 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1cgn h GLY 110 CO -0.11 0.58 0.06 -0.55 0.00 0.00 0.00 176.54 176.53 1cgn h ASP 111 N 0.90 0.12 -0.11 0.19 3.32 -0.72 -0.21 116.42 119.92 1cgn h ASP 111 Ca 0.20 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1cgn h ASP 111 Cb 0.30 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1cgn h ASP 111 CO -0.01 0.12 -0.05 0.58 -1.72 0.00 0.00 179.24 178.16 1cgn h VAL 112 N 0.12 0.83 -0.93 -1.35 2.07 -0.98 -1.91 116.25 114.10 1cgn h VAL 112 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1cgn h VAL 112 Cb 0.02 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1cgn h VAL 112 CO -0.01 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.41 1cgn h GLY 113 N -0.04 1.38 2.00 2.17 0.00 -0.78 0.18 103.07 107.98 1cgn h GLY 113 Ca 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1cgn h GLY 113 CO -0.14 0.26 -0.23 0.00 0.00 0.00 0.00 176.54 176.44 1cgn h ALA 114 N 1.52 1.24 -0.28 3.60 0.00 -0.30 -2.45 119.26 122.58 1cgn h ALA 114 Ca 0.42 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1cgn h ALA 114 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cgn h ALA 114 CO -0.17 0.28 -0.49 1.03 0.00 0.00 0.00 179.25 179.90 1cgn h SER 115 N 0.00 0.85 0.11 0.00 0.87 0.01 0.18 113.55 115.57 1cgn h SER 115 Ca -0.00 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1cgn h SER 115 Cb 0.54 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1cgn h SER 115 CO 0.03 1.19 -0.05 0.00 -0.53 0.00 0.00 176.83 177.47 1cgn h LYS 117 N -0.23 1.02 -0.62 0.00 3.64 -1.32 -1.67 116.57 117.40 1cgn h LYS 117 Ca -0.02 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1cgn h LYS 117 Cb 0.19 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1cgn h LYS 117 CO 0.02 0.68 0.37 0.00 -2.27 0.00 0.00 179.45 178.25 1cgn h ALA 118 N 1.36 0.81 -0.20 5.00 0.00 -0.81 -0.51 119.26 124.91 1cgn h ALA 118 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1cgn h ALA 118 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cgn h ALA 118 CO -0.12 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.24 1cgn h HIS 120 N 0.12 1.06 -0.98 0.00 -0.00 -0.99 0.14 115.15 114.51 1cgn h HIS 120 Ca 0.06 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.58 1cgn h HIS 120 Cb 0.32 -0.34 -0.08 0.00 -0.00 0.00 0.00 27.41 27.32 1cgn h HIS 120 CO 0.02 0.47 0.62 -0.44 -0.00 0.00 0.00 177.93 178.60 1cgn h ASP 121 N 0.98 0.90 0.19 2.45 3.32 -0.84 -2.05 116.42 121.36 1cgn h ASP 121 Ca 0.44 0.04 -0.34 0.00 0.02 0.00 0.00 57.03 57.19 1cgn h ASP 121 Cb 0.35 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1cgn h ASP 121 CO -0.23 0.49 -2.11 -1.20 -1.72 0.00 0.00 179.24 174.47 1cgn n SER 122 N -4.60 0.88 -0.07 6.45 7.64 -0.92 -4.77 113.62 118.22 1cgn n SER 122 Ca 0.18 0.16 0.01 0.00 1.01 0.00 0.00 58.87 60.23 1cgn n SER 122 Cb 0.35 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1cgn n SER 122 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1cgn n TYR 123 N -3.03 0.01 -4.72 1.43 4.01 0.46 -4.92 117.16 110.40 1cgn n TYR 123 Ca -0.29 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.90 57.08 1cgn n TYR 123 Cb 1.08 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.99 1cgn n TYR 123 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1cgn s ARG 124 N -0.22 2.61 0.00 -0.72 3.52 -0.78 -1.66 118.95 121.70 1cgn s ARG 124 Ca 0.02 -0.64 0.18 0.00 -0.13 0.00 0.00 55.73 55.17 1cgn s ARG 124 Cb 0.01 -2.48 1.10 0.00 -1.56 0.00 0.00 34.95 32.02 1cgn s ARG 124 CO 0.02 0.64 1.50 1.63 -0.81 0.00 0.00 175.30 178.28