#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp n GLN 2 N 0.00 -2.66 -1.69 2.12 -0.06 -1.26 -4.81 117.38 109.02 2oqp n GLN 2 Ca 0.00 2.25 -0.54 0.00 -2.00 0.00 0.00 57.00 56.71 2oqp n GLN 2 Cb 0.00 -4.60 -0.06 0.00 -4.06 0.00 0.00 30.24 21.52 2oqp n GLN 2 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2oqp n GLY 3 N 0.40 1.00 2.02 1.69 0.00 -1.26 -4.72 105.19 104.31 2oqp n GLY 3 Ca 0.02 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.92 2oqp n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oqp n GLN 4 N 5.44 0.00 -1.45 1.61 1.13 -1.26 -5.05 117.38 117.80 2oqp n GLN 4 Ca 0.25 0.00 -0.49 0.00 -1.94 0.00 0.00 57.00 54.82 2oqp n GLN 4 Cb 0.18 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.46 2oqp n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2oqp n ASP 5 N -2.77 1.99 0.19 1.08 9.92 -1.26 -4.76 116.55 120.94 2oqp n ASP 5 Ca 0.00 0.32 0.14 0.00 -0.53 0.00 0.00 54.79 54.72 2oqp n ASP 5 Cb 0.00 -1.26 0.49 0.00 -0.64 0.00 0.00 41.12 39.71 2oqp n ASP 5 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2oqp h ARG 6 N 12.93 0.00 0.00 -1.24 3.08 -2.01 -3.15 114.38 123.99 2oqp h ARG 6 Ca -0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 2oqp h ARG 6 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2oqp h ARG 6 CO 1.06 0.00 -0.01 0.45 -1.07 0.00 0.00 179.97 180.39 2oqp h HIS 7 N 0.00 0.01 -0.95 3.04 3.86 -2.02 -3.32 115.15 115.78 2oqp h HIS 7 Ca 0.00 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.49 2oqp h HIS 7 Cb 0.58 -0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.90 2oqp h HIS 7 CO 0.00 1.00 0.36 1.98 0.86 0.00 0.00 177.93 182.13 2oqp h MET 8 N -0.99 0.19 -0.36 2.45 4.05 -1.94 0.61 114.93 118.96 2oqp h MET 8 Ca -0.00 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.47 2oqp h MET 8 Cb 1.01 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.71 2oqp h MET 8 CO 0.00 0.13 -0.00 0.82 0.23 0.00 0.00 176.91 178.09 2oqp h ILE 9 N 0.20 0.73 -0.21 1.77 2.04 -1.65 1.60 117.51 121.99 2oqp h ILE 9 Ca 0.65 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.50 2oqp h ILE 9 Cb 1.44 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2oqp h ILE 9 CO -0.68 0.02 -0.15 -0.09 0.00 0.00 0.00 178.15 177.25 2oqp h ARG 10 N 0.09 -0.03 -0.02 2.37 9.65 0.15 1.05 114.38 127.64 2oqp h ARG 10 Ca 0.17 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2oqp h ARG 10 Cb 0.24 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2oqp h ARG 10 CO -0.29 -0.02 -0.01 0.00 2.80 0.00 0.00 179.97 182.45 2oqp h MET 11 N -0.03 0.03 -0.94 0.20 -0.00 -1.43 -3.05 114.93 109.71 2oqp h MET 11 Ca 0.03 -0.01 0.28 0.00 -0.00 0.00 0.00 59.70 60.00 2oqp h MET 11 Cb 0.12 -0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 31.56 2oqp h MET 11 CO -0.21 0.42 0.32 0.00 -0.00 0.00 0.00 176.91 177.44 2oqp h ARG 12 N -0.36 0.18 -0.73 -0.10 2.47 0.28 1.03 114.38 117.15 2oqp h ARG 12 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2oqp h ARG 12 Cb 0.41 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 2oqp h ARG 12 CO 0.00 0.12 0.42 1.96 0.56 0.00 0.00 179.97 183.03 2oqp h GLN 13 N 0.18 1.00 0.55 0.04 1.08 0.12 -0.48 115.11 117.61 2oqp h GLN 13 Ca 0.64 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.71 2oqp h GLN 13 Cb 1.39 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2oqp h GLN 13 CO -0.70 0.73 -0.26 -0.07 -0.95 0.00 0.00 178.83 177.58 2oqp h LEU 14 N 1.00 -0.62 -0.83 1.46 3.38 0.11 1.47 115.31 121.28 2oqp h LEU 14 Ca 0.26 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.42 2oqp h LEU 14 Cb 0.00 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 40.76 2oqp h LEU 14 CO -0.05 -0.44 -0.17 0.40 0.09 0.00 0.00 178.44 178.27 2oqp h ILE 15 N -0.75 0.18 0.49 1.22 5.03 -1.05 0.31 117.51 122.95 2oqp h ILE 15 Ca -0.08 -0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 2oqp h ILE 15 Cb 0.56 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 34.53 2oqp h ILE 15 CO 0.12 0.00 -0.23 -0.78 -0.68 0.00 0.00 178.15 176.58 2oqp h ASP 16 N 0.01 -0.56 -0.96 1.72 3.58 -0.90 -1.40 116.42 117.90 2oqp h ASP 16 Ca 0.41 -0.04 0.31 0.00 0.42 0.00 0.00 57.03 58.13 2oqp h ASP 16 Cb 0.65 0.14 -0.17 0.00 1.72 0.00 0.00 39.33 41.68 2oqp h ASP 16 CO -0.83 -0.31 0.30 0.40 -2.88 0.00 0.00 179.24 175.92 2oqp h ILE 17 N -0.78 0.13 0.70 2.25 2.04 0.47 0.59 117.51 122.91 2oqp h ILE 17 Ca -0.07 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2oqp h ILE 17 Cb 0.56 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2oqp h ILE 17 CO 0.11 0.02 -0.34 0.58 0.00 0.00 0.00 178.15 178.52 2oqp h VAL 18 N 0.10 0.00 -0.88 1.67 2.07 -0.14 -0.30 116.25 118.77 2oqp h VAL 18 Ca 0.68 -0.12 0.25 0.00 0.82 0.00 0.00 66.70 68.33 2oqp h VAL 18 Cb 1.55 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2oqp h VAL 18 CO -0.76 0.00 0.80 -0.78 0.02 0.00 0.00 177.57 176.84 2oqp h ASP 19 N -1.06 0.00 -0.04 0.57 3.58 0.40 1.43 116.42 121.30 2oqp h ASP 19 Ca -0.10 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2oqp h ASP 19 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2oqp h ASP 19 CO 0.16 0.00 -0.16 -0.61 -2.88 0.00 0.00 179.24 175.75 2oqp h GLN 20 N 0.00 0.18 -0.13 0.28 5.75 0.61 -1.06 115.11 120.74 2oqp h GLN 20 Ca 0.42 -0.14 -0.18 0.00 -0.15 0.00 0.00 58.65 58.60 2oqp h GLN 20 Cb 2.00 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.58 2oqp h GLN 20 CO -0.00 0.78 -0.66 1.37 -2.65 0.00 0.00 178.83 177.67 2oqp h LEU 21 N -0.39 0.61 -1.36 -2.39 8.10 0.19 -2.87 115.31 117.20 2oqp h LEU 21 Ca -0.01 -0.37 -0.06 0.00 0.11 0.00 0.00 57.88 57.56 2oqp h LEU 21 Cb 0.81 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 2oqp h LEU 21 CO 0.03 1.10 -0.19 0.50 -4.11 0.00 0.00 178.44 175.78 2oqp h LYS 22 N 0.38 0.19 0.00 0.17 3.64 0.16 -0.54 116.57 120.56 2oqp h LYS 22 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2oqp h LYS 22 Cb 1.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2oqp h LYS 22 CO 0.12 0.38 0.00 -0.97 -2.27 0.00 0.00 179.45 176.71 2oqp h ASN 23 N 0.18 0.00 -0.40 4.20 -1.24 -0.95 -0.17 115.58 117.19 2oqp h ASN 23 Ca 0.03 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.76 2oqp h ASN 23 Cb 0.45 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 39.28 2oqp h ASN 23 CO 0.03 0.00 -0.57 -1.22 -1.29 0.00 0.00 177.43 174.38 2oqp n TYR 24 N -2.57 1.44 -0.27 0.67 4.01 -0.22 -4.76 117.16 115.46 2oqp n TYR 24 Ca -0.02 -1.88 0.24 0.00 -0.16 0.00 0.00 57.90 56.08 2oqp n TYR 24 Cb 0.07 -0.35 0.57 0.00 -0.31 0.00 0.00 39.34 39.32 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2oqp h VAL 25 N 1.53 0.57 0.00 -0.72 3.04 -0.98 1.63 116.25 121.32 2oqp h VAL 25 Ca 0.21 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 2oqp h VAL 25 Cb 1.30 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2oqp h VAL 25 CO 0.43 0.05 0.10 -1.13 -1.01 0.00 0.00 177.57 176.02 2oqp h ASN 26 N 0.29 0.00 -0.76 3.17 -1.24 -1.85 0.34 115.58 115.53 2oqp h ASN 26 Ca 0.52 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 57.03 2oqp h ASN 26 Cb 1.51 0.00 -0.29 0.00 0.73 0.00 0.00 38.32 40.26 2oqp h ASN 26 CO -0.18 0.00 0.06 0.47 -1.29 0.00 0.00 177.43 176.49 2oqp n ASP 27 N -2.69 5.17 -4.20 1.15 8.00 0.56 -4.85 116.55 119.69 2oqp n ASP 27 Ca -0.02 -3.77 -0.30 0.00 0.71 0.00 0.00 54.79 51.42 2oqp n ASP 27 Cb 0.15 -0.67 -0.17 0.00 -0.02 0.00 0.00 41.12 40.41 2oqp n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2oqp s LEU 28 N -3.57 1.99 -0.14 0.64 1.43 0.12 -2.47 118.68 116.68 2oqp s LEU 28 Ca 0.55 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 2oqp s LEU 28 Cb 0.45 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 2oqp s LEU 28 CO 0.02 0.18 0.35 0.54 0.23 0.00 0.00 176.35 177.66 2oqp s VAL 29 N 0.11 5.26 -0.42 -1.59 0.11 0.21 -4.44 120.40 119.65 2oqp s VAL 29 Ca -0.09 0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 59.34 2oqp s VAL 29 Cb -0.15 -3.68 0.01 0.00 -1.53 0.00 0.00 36.38 31.03 2oqp s VAL 29 CO 0.05 0.38 1.42 -2.16 -3.33 0.00 0.00 175.10 171.46 2oqp s PRO 30 N 0.42 3.55 0.15 1.54 0.04 -1.26 -4.64 135.00 134.79 2oqp s PRO 30 Ca 0.19 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.16 2oqp s PRO 30 Cb -0.14 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2oqp s PRO 30 CO 0.06 -1.60 -0.04 -2.00 0.04 0.00 0.00 177.00 173.46 2oqp s GLU 31 N 4.99 1.02 -0.75 4.56 -6.30 -1.26 -5.04 118.70 115.92 2oqp s GLU 31 Ca 0.61 -1.46 -0.26 0.00 -2.50 0.00 0.00 54.97 51.36 2oqp s GLU 31 Cb -0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 34.13 33.60 2oqp s GLU 31 CO 0.32 -0.06 2.13 -0.06 0.02 0.00 0.00 175.26 177.62 2oqp s PHE 32 N -3.58 1.48 -0.11 5.30 0.08 -1.26 -4.57 117.98 115.32 2oqp s PHE 32 Ca 0.19 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.43 2oqp s PHE 32 Cb 0.05 -3.81 -0.02 0.00 -0.57 0.00 0.00 43.02 38.67 2oqp s PHE 32 CO 0.01 -1.92 -0.11 -0.51 -0.10 0.00 0.00 175.22 172.59 2oqp s LEU 33 N 11.58 2.85 0.02 -0.37 1.02 -1.11 -4.91 118.68 127.77 2oqp s LEU 33 Ca 0.80 -0.24 -0.30 0.00 0.02 0.00 0.00 54.13 54.41 2oqp s LEU 33 Cb -0.11 -1.64 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 2oqp s LEU 33 CO 0.10 0.22 1.18 -2.16 0.02 0.00 0.00 176.35 175.71 2oqp s PRO 34 N 0.04 4.42 -0.12 1.29 0.04 -1.26 0.17 135.00 139.58 2oqp s PRO 34 Ca -0.04 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 2oqp s PRO 34 Cb -0.14 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 31.01 2oqp s PRO 34 CO 0.04 -0.30 -0.00 0.00 0.04 0.00 0.00 177.00 176.78 2oqp s ALA 35 N 1.41 0.91 -0.03 8.56 0.00 -1.26 -4.39 121.76 126.96 2oqp s ALA 35 Ca 0.57 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2oqp s ALA 35 Cb -0.27 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2oqp s ALA 35 CO 0.27 -0.69 1.21 -1.25 0.00 0.00 0.00 175.76 175.30 2oqp s PRO 36 N 1.89 4.37 -0.37 0.00 0.04 -1.26 -4.71 135.00 134.96 2oqp s PRO 36 Ca 0.03 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 2oqp s PRO 36 Cb -0.14 -3.51 -0.00 0.00 0.04 0.00 0.00 34.50 30.89 2oqp s PRO 36 CO -0.07 -0.41 0.30 -2.00 0.04 0.00 0.00 177.00 174.87 2oqp s GLU 37 N 1.96 3.34 -0.06 4.56 2.12 -1.26 -4.77 118.70 124.59 2oqp s GLU 37 Ca 0.57 -0.70 -0.05 0.00 0.36 0.00 0.00 54.97 55.15 2oqp s GLU 37 Cb -0.26 -3.86 0.02 0.00 0.26 0.00 0.00 34.13 30.28 2oqp s GLU 37 CO 0.24 -0.58 0.09 -3.47 -0.54 0.00 0.00 175.26 171.01 2oqp n ASP 38 N 5.23 -4.79 -4.62 -1.70 -0.08 -1.26 -5.01 116.55 104.31 2oqp n ASP 38 Ca -0.11 1.48 -0.29 0.00 -1.51 0.00 0.00 54.79 54.36 2oqp n ASP 38 Cb 0.49 -4.36 -0.09 0.00 2.34 0.00 0.00 41.12 39.50 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2oqp s VAL 39 N -0.48 3.58 1.05 5.18 -7.23 -1.26 -5.09 120.40 116.16 2oqp s VAL 39 Ca -0.11 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 58.65 2oqp s VAL 39 Cb 0.01 -2.72 0.15 0.00 0.56 0.00 0.00 36.38 34.38 2oqp s VAL 39 CO 0.29 0.04 0.62 1.21 -0.31 0.00 0.00 175.10 176.96 2oqp n GLU 40 N 0.43 -1.30 -0.22 4.82 2.13 -1.26 -4.58 120.64 120.66 2oqp n GLU 40 Ca -0.12 -0.34 0.02 0.00 0.66 0.00 0.00 57.16 57.38 2oqp n GLU 40 Cb 0.53 -2.01 0.13 0.00 0.27 0.00 0.00 31.44 30.36 2oqp n GLU 40 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2oqp h THR 41 N -2.09 0.69 -1.42 6.31 2.02 -2.01 -0.75 112.91 115.66 2oqp h THR 41 Ca -0.51 -0.13 -0.68 0.00 0.77 0.00 0.00 66.41 65.86 2oqp h THR 41 Cb 1.31 0.29 -0.33 0.00 -1.74 0.00 0.00 68.15 67.69 2oqp h THR 41 CO 0.41 0.07 0.41 0.59 0.37 0.00 0.00 175.52 177.37 2oqp n ASN 42 N -5.04 6.71 0.00 4.18 4.13 -1.26 -4.31 115.26 119.66 2oqp n ASN 42 Ca 0.10 -3.79 0.00 0.00 1.68 0.00 0.00 54.58 52.57 2oqp n ASN 42 Cb 0.33 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oqp n GLU 44 N -2.10 -0.01 0.07 0.00 1.02 -1.02 0.19 120.64 118.79 2oqp n GLU 44 Ca 0.00 0.95 -0.07 0.00 -0.02 0.00 0.00 57.16 58.02 2oqp n GLU 44 Cb 0.27 -2.03 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 2oqp n GLU 44 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2oqp h TRP 45 N 0.00 -0.26 0.00 -0.32 4.06 -1.87 -2.04 115.95 115.52 2oqp h TRP 45 Ca 0.75 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.69 2oqp h TRP 45 Cb 2.74 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 30.99 2oqp h TRP 45 CO -0.00 -0.03 0.32 0.77 -3.56 0.00 0.00 178.44 175.94 2oqp h SER 46 N -1.03 0.00 1.07 -3.49 0.02 0.19 1.54 113.55 111.84 2oqp h SER 46 Ca -0.03 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 2oqp h SER 46 Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2oqp h SER 46 CO 0.05 0.00 -0.98 0.00 -1.14 0.00 0.00 176.83 174.76 2oqp h ALA 47 N 1.35 0.65 -0.46 3.77 0.00 0.24 -3.31 119.26 121.49 2oqp h ALA 47 Ca 0.00 -0.45 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2oqp h ALA 47 Cb 0.65 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2oqp h ALA 47 CO 0.00 0.52 0.57 0.35 0.00 0.00 0.00 179.25 180.69 2oqp h PHE 48 N 0.00 0.00 -0.04 0.00 3.57 0.30 0.64 116.94 121.41 2oqp h PHE 48 Ca -0.07 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.18 2oqp h PHE 48 Cb 1.33 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.08 2oqp h PHE 48 CO 0.00 0.00 -0.96 1.03 -2.23 0.00 0.00 178.31 176.15 2oqp h SER 49 N 0.00 0.84 -0.94 0.41 0.87 -1.65 -1.91 113.55 111.17 2oqp h SER 49 Ca 0.22 -0.64 0.09 0.00 -1.23 0.00 0.00 61.79 60.23 2oqp h SER 49 Cb 1.36 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 62.99 2oqp h SER 49 CO -0.00 1.44 0.61 0.00 -0.53 0.00 0.00 176.83 178.34 2oqp h PHE 51 N 0.98 0.07 0.34 0.00 0.04 -1.42 -2.66 116.94 114.29 2oqp h PHE 51 Ca 0.44 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 61.15 2oqp h PHE 51 Cb 0.36 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2oqp h PHE 51 CO -0.00 0.83 -0.16 0.37 -0.60 0.00 0.00 178.31 178.75 2oqp h GLN 52 N 0.03 -0.44 -0.04 1.51 -0.00 -0.04 -3.03 115.11 113.10 2oqp h GLN 52 Ca -0.02 0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.68 2oqp h GLN 52 Cb 1.43 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 29.00 2oqp h GLN 52 CO 0.11 -0.15 0.14 1.57 0.00 0.00 0.00 178.83 180.50 2oqp h LYS 53 N -1.01 0.00 0.00 1.69 2.10 -0.08 -2.70 116.57 116.58 2oqp h LYS 53 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2oqp h LYS 53 Cb 0.49 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2oqp h LYS 53 CO 0.08 0.00 -0.00 0.00 -2.00 0.00 0.00 179.45 177.52 2oqp h ALA 54 N 1.76 -0.86 -2.72 0.07 0.00 -1.34 -3.49 119.26 112.68 2oqp h ALA 54 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2oqp h ALA 54 Cb 0.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2oqp h ALA 54 CO -0.00 -0.86 -0.53 0.94 0.00 0.00 0.00 179.25 178.80 2oqp n GLN 55 N -2.16 -3.07 -3.30 0.00 7.27 -1.02 -4.92 117.38 110.18 2oqp n GLN 55 Ca -0.00 2.35 -0.32 0.00 0.07 0.00 0.00 57.00 59.10 2oqp n GLN 55 Cb 0.00 -2.36 -0.06 0.00 2.41 0.00 0.00 30.24 30.24 2oqp n GLN 55 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2oqp s LEU 56 N -0.58 4.13 -0.02 1.69 1.98 -1.26 -5.02 118.68 119.60 2oqp s LEU 56 Ca 0.00 1.07 0.03 0.00 -2.89 0.00 0.00 54.13 52.35 2oqp s LEU 56 Cb 0.00 -3.84 -0.01 0.00 0.66 0.00 0.00 46.19 43.00 2oqp s LEU 56 CO 0.00 -0.13 -0.12 -0.75 -1.89 0.00 0.00 176.35 173.47 2oqp s LYS 57 N -2.87 1.03 0.56 1.98 2.47 -1.26 -4.94 119.74 116.70 2oqp s LYS 57 Ca 0.50 -0.41 -0.17 0.00 -1.56 0.00 0.00 55.97 54.33 2oqp s LYS 57 Cb -0.11 -0.98 -0.05 0.00 -1.46 0.00 0.00 37.83 35.23 2oqp s LYS 57 CO 0.20 0.22 1.04 -1.54 0.16 0.00 0.00 175.35 175.42 2oqp s SER 58 N -0.12 6.05 0.04 1.43 1.04 -1.26 -0.61 113.70 120.25 2oqp s SER 58 Ca 0.02 1.80 0.12 0.00 0.48 0.00 0.00 55.95 58.37 2oqp s SER 58 Cb -0.06 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.06 2oqp s SER 58 CO -0.00 -0.99 1.39 0.00 0.98 0.00 0.00 173.24 174.63 2oqp n ALA 59 N -1.72 1.49 -2.19 5.32 0.00 -1.03 -4.26 120.51 118.13 2oqp n ALA 59 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 2oqp n ALA 59 Cb 0.53 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.80 2oqp n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2oqp n ASN 60 N -1.60 -2.34 -0.00 0.00 4.13 -1.26 -4.93 115.26 109.26 2oqp n ASN 60 Ca 0.02 -0.15 0.03 0.00 1.68 0.00 0.00 54.58 56.17 2oqp n ASN 60 Cb 0.13 -1.55 -0.04 0.00 -1.54 0.00 0.00 39.78 36.78 2oqp n ASN 60 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2oqp n THR 61 N -1.77 0.00 -3.70 3.41 -2.24 -1.26 -5.12 114.28 103.61 2oqp n THR 61 Ca -0.05 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2oqp n THR 61 Cb 0.53 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2oqp n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqp n GLY 62 N 1.33 -1.70 5.40 3.38 0.00 -1.26 -4.91 105.19 107.43 2oqp n GLY 62 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2oqp n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2oqp n ASN 63 N 0.28 0.00 -1.26 1.61 4.13 -1.26 -2.54 115.26 116.21 2oqp n ASN 63 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 2oqp n ASN 63 Cb 0.00 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.45 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2oqp n ASN 64 N 2.78 2.95 0.10 6.41 4.13 -1.26 -4.64 115.26 125.72 2oqp n ASN 64 Ca 0.00 -3.60 -0.10 0.00 1.68 0.00 0.00 54.58 52.56 2oqp n ASN 64 Cb 0.00 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 2oqp n ASN 64 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2oqp h GLU 65 N 1.20 -0.32 -0.06 3.52 4.81 -1.86 -3.00 114.58 118.87 2oqp h GLU 65 Ca 0.23 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2oqp h GLU 65 Cb 1.78 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.23 2oqp h GLU 65 CO 0.45 0.01 0.03 0.00 -0.73 0.00 0.00 179.01 178.78 2oqp h ARG 66 N -0.95 0.08 0.00 1.92 3.08 -1.89 0.28 114.38 116.90 2oqp h ARG 66 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2oqp h ARG 66 Cb 0.48 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2oqp h ARG 66 CO 0.06 0.08 0.23 1.51 -1.07 0.00 0.00 179.97 180.78 2oqp n ILE 67 N -5.04 0.75 -0.06 2.04 0.13 -1.25 0.80 119.36 116.74 2oqp n ILE 67 Ca -0.06 0.72 -0.20 0.00 -1.10 0.00 0.00 62.75 62.11 2oqp n ILE 67 Cb 0.04 -1.72 -0.13 0.00 -0.84 0.00 0.00 39.64 36.99 2oqp n ILE 67 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 2oqp n ILE 68 N -2.02 1.64 0.28 9.51 -0.00 -0.07 -3.91 119.36 124.79 2oqp n ILE 68 Ca -0.01 -0.59 0.16 0.00 -0.00 0.00 0.00 62.75 62.30 2oqp n ILE 68 Cb 0.26 -1.61 0.55 0.00 -0.00 0.00 0.00 39.64 38.84 2oqp n ILE 68 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2oqp h ASN 69 N -0.02 0.00 -0.31 4.38 -0.73 0.16 -2.80 115.58 116.26 2oqp h ASN 69 Ca -0.50 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.50 2oqp h ASN 69 Cb 1.94 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.53 2oqp h ASN 69 CO -0.01 0.00 -0.48 -0.37 -0.37 0.00 0.00 177.43 176.19 2oqp h VAL 70 N 0.00 1.27 0.00 2.57 -1.51 0.25 -2.55 116.25 116.28 2oqp h VAL 70 Ca 0.00 -1.66 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 2oqp h VAL 70 Cb 0.62 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2oqp h VAL 70 CO 0.00 0.55 0.00 0.28 -1.23 0.00 0.00 177.57 177.17 2oqp h SER 71 N 0.70 0.00 -0.73 4.19 0.02 -1.61 -2.48 113.55 113.64 2oqp h SER 71 Ca 0.03 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2oqp h SER 71 Cb 1.09 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2oqp h SER 71 CO 0.11 0.00 0.47 0.40 -1.14 0.00 0.00 176.83 176.67 2oqp h ILE 72 N 0.00 1.12 0.46 3.27 1.08 -1.43 1.27 117.51 123.29 2oqp h ILE 72 Ca 0.00 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 2oqp h ILE 72 Cb 0.32 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 2oqp h ILE 72 CO 0.00 0.17 -0.51 0.50 -0.69 0.00 0.00 178.15 177.62 2oqp h LYS 73 N 0.92 -0.94 0.44 2.37 3.64 -1.54 0.28 116.57 121.74 2oqp h LYS 73 Ca 0.29 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2oqp h LYS 73 Cb -0.01 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2oqp h LYS 73 CO -0.10 -0.63 -0.21 0.87 -2.27 0.00 0.00 179.45 177.11 2oqp h LYS 74 N -0.98 -0.57 -1.00 1.90 1.79 -1.60 -2.88 116.57 113.24 2oqp h LYS 74 Ca -0.06 0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.62 2oqp h LYS 74 Cb 0.86 0.13 -0.17 0.00 -1.58 0.00 0.00 32.23 31.47 2oqp h LYS 74 CO -0.09 -0.34 -0.35 1.25 -1.08 0.00 0.00 179.45 178.84 2oqp h LEU 75 N -0.67 -1.28 -5.55 2.94 5.85 0.18 -0.48 115.31 116.30 2oqp h LEU 75 Ca -0.06 0.31 -0.52 0.00 0.84 0.00 0.00 57.88 58.44 2oqp h LEU 75 Cb 0.49 0.71 0.02 0.00 0.37 0.00 0.00 40.66 42.26 2oqp h LEU 75 CO 0.10 -0.30 2.93 0.29 -0.34 0.00 0.00 178.44 181.11 2oqp n LYS 76 N -5.52 2.47 -2.87 1.25 5.02 0.96 -4.74 118.16 114.73 2oqp n LYS 76 Ca 0.12 -1.81 -0.24 0.00 -2.02 0.00 0.00 58.31 54.36 2oqp n LYS 76 Cb 0.43 -2.69 0.01 0.00 -0.02 0.00 0.00 35.03 32.76 2oqp n LYS 76 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2oqp s ARG 77 N 3.33 3.12 -0.03 1.97 1.81 -0.19 -4.93 118.95 124.03 2oqp s ARG 77 Ca 0.50 -0.31 -0.03 0.00 -1.72 0.00 0.00 55.73 54.17 2oqp s ARG 77 Cb 0.13 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.10 2oqp s ARG 77 CO -0.02 -0.31 0.14 0.21 -0.68 0.00 0.00 175.30 174.64 2oqp s LYS 78 N -4.64 3.32 0.99 3.54 2.20 -1.26 -4.92 119.74 118.97 2oqp s LYS 78 Ca 0.49 -0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.61 2oqp s LYS 78 Cb -0.10 -3.04 0.19 0.00 -1.51 0.00 0.00 37.83 33.37 2oqp s LYS 78 CO 0.40 0.69 1.17 -1.25 -0.36 0.00 0.00 175.35 176.00 2oqp s PRO 79 N -1.69 0.48 0.39 4.03 0.04 -1.26 -5.07 135.00 131.92 2oqp s PRO 79 Ca 0.23 0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.25 2oqp s PRO 79 Cb -0.12 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.73 2oqp s PRO 79 CO 0.14 -2.60 0.43 -0.35 0.04 0.00 0.00 177.00 174.66 2oqp n PRO 80 N -4.00 -1.10 -0.32 0.56 -0.04 -1.26 -4.80 135.00 124.05 2oqp n PRO 80 Ca 0.10 -0.68 0.18 0.00 -0.04 0.00 0.00 63.50 63.06 2oqp n PRO 80 Cb 0.59 -0.53 0.35 0.00 -0.04 0.00 0.00 33.50 33.87 2oqp n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oqp n SER 81 N -3.48 0.01 -3.82 3.54 2.88 -1.26 -1.77 113.62 109.72 2oqp n SER 81 Ca 0.06 1.58 -0.42 0.00 -1.33 0.00 0.00 58.87 58.75 2oqp n SER 81 Cb 0.21 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2oqp n SER 81 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2oqp n THR 82 N -5.31 3.56 -0.06 2.46 5.66 -1.26 -4.61 114.28 114.72 2oqp n THR 82 Ca 0.26 -3.21 -0.12 0.00 -3.05 0.00 0.00 64.05 57.93 2oqp n THR 82 Cb 0.85 -2.57 -0.11 0.00 -1.55 0.00 0.00 70.33 66.95 2oqp n THR 82 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2oqp h ASN 83 N 6.12 -0.01 -5.59 1.09 2.35 -1.66 -3.42 115.58 114.47 2oqp h ASN 83 Ca 0.55 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2oqp h ASN 83 Cb 0.66 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 2oqp h ASN 83 CO 1.83 0.87 -0.97 0.00 -1.65 0.00 0.00 177.43 177.52 2oqp n ALA 84 N -2.62 -2.71 -2.57 -0.83 0.00 -1.26 -4.58 120.51 105.94 2oqp n ALA 84 Ca -0.08 0.85 -0.26 0.00 0.00 0.00 0.00 53.44 53.95 2oqp n ALA 84 Cb 0.39 -1.88 -0.00 0.00 0.00 0.00 0.00 19.45 17.95 2oqp n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqp n GLY 85 N 1.51 5.63 0.61 0.00 0.00 -1.26 -4.88 105.19 106.80 2oqp n GLY 85 Ca -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.23 2oqp n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2oqp n ARG 86 N -0.41 0.00 -0.94 1.61 0.63 -1.26 -5.01 116.66 111.28 2oqp n ARG 86 Ca 0.36 0.43 0.13 0.00 -0.92 0.00 0.00 57.85 57.84 2oqp n ARG 86 Cb 0.63 -0.18 -0.03 0.00 0.45 0.00 0.00 32.46 33.33 2oqp n ARG 86 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2oqp n ARG 87 N 0.43 -1.90 0.00 -0.14 1.74 -1.26 -4.69 116.66 110.84 2oqp n ARG 87 Ca 0.00 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.33 2oqp n ARG 87 Cb 0.00 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 2oqp n ARG 87 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2oqp n GLN 88 N -3.20 0.00 -2.88 5.56 7.27 -1.26 -4.71 117.38 118.17 2oqp n GLN 88 Ca 0.01 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.65 2oqp n GLN 88 Cb 0.43 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.03 2oqp n GLN 88 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2oqp s LYS 89 N 0.00 3.62 -0.48 3.69 2.47 -1.26 -4.91 119.74 122.87 2oqp s LYS 89 Ca 0.00 0.22 0.04 0.00 -1.56 0.00 0.00 55.97 54.67 2oqp s LYS 89 Cb 0.00 -3.88 0.42 0.00 -1.46 0.00 0.00 37.83 32.92 2oqp s LYS 89 CO 0.00 -1.05 1.36 1.58 0.16 0.00 0.00 175.35 177.39 2oqp n HIS 90 N 6.81 3.15 0.75 4.03 -0.00 -1.26 -4.63 115.22 124.07 2oqp n HIS 90 Ca 0.05 -2.74 0.11 0.00 -0.00 0.00 0.00 57.72 55.13 2oqp n HIS 90 Cb 0.48 -0.44 0.28 0.00 -0.00 0.00 0.00 29.99 30.31 2oqp n HIS 90 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2oqp n ARG 91 N -0.59 2.15 0.00 1.57 3.00 -1.26 -4.95 116.66 116.58 2oqp n ARG 91 Ca 0.45 -1.73 0.00 0.00 -0.01 0.00 0.00 57.85 56.56 2oqp n ARG 91 Cb 0.68 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.68 2oqp n ARG 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2oqp n LEU 92 N 0.95 0.00 -3.79 0.55 -0.00 -1.26 -5.08 117.00 108.37 2oqp n LEU 92 Ca 0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.90 2oqp n LEU 92 Cb 0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.74 2oqp n LEU 92 CO 0.14 0.00 -0.38 -0.89 -0.00 0.00 0.00 177.39 176.26 2oqp s THR 93 N -2.00 0.80 0.11 1.47 2.01 -1.26 -5.08 115.64 111.68 2oqp s THR 93 Ca 0.00 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.38 2oqp s THR 93 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2oqp s THR 93 CO 0.00 -0.15 -0.17 0.00 -0.69 0.00 0.00 174.62 173.60 2oqp s PRO 95 N -2.08 4.48 0.81 0.00 0.04 -1.26 -4.99 135.00 132.01 2oqp s PRO 95 Ca 0.18 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 2oqp s PRO 95 Cb -0.11 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 2oqp s PRO 95 CO 0.10 -0.16 0.33 0.43 0.04 0.00 0.00 177.00 177.74 2oqp n SER 96 N 3.53 -2.06 -3.24 6.66 7.64 -1.26 -4.70 113.62 120.19 2oqp n SER 96 Ca 0.07 0.47 -0.27 0.00 1.01 0.00 0.00 58.87 60.15 2oqp n SER 96 Cb 0.47 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp n ASP 98 N 4.31 1.08 -2.57 0.00 9.92 -1.26 -4.77 116.55 123.27 2oqp n ASP 98 Ca 0.51 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.52 2oqp n ASP 98 Cb 0.17 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.56 2oqp n ASP 98 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2oqp n SER 99 N -2.67 6.59 0.00 -2.24 2.88 -1.22 -3.56 113.62 113.40 2oqp n SER 99 Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2oqp n SER 99 Cb 0.39 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 2oqp n SER 99 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2oqp n TYR 100 N 2.11 -0.48 0.00 0.66 4.01 -1.26 -4.91 117.16 117.29 2oqp n TYR 100 Ca 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 2oqp n TYR 100 Cb 0.60 0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 2oqp n TYR 100 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2oqp n GLU 101 N -1.93 0.00 -0.37 -0.72 2.13 -1.23 -4.96 120.64 113.56 2oqp n GLU 101 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2oqp n GLU 101 Cb 0.00 0.00 0.22 0.00 0.27 0.00 0.00 31.44 31.93 2oqp n GLU 101 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2oqp n LYS 102 N -0.08 -3.56 -3.60 5.31 4.76 -1.26 -4.25 118.16 115.48 2oqp n LYS 102 Ca 0.00 -1.06 -0.08 0.00 -2.87 0.00 0.00 58.31 54.30 2oqp n LYS 102 Cb 0.00 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.48 2oqp n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2oqp s LYS 103 N -4.25 1.25 1.00 1.97 1.02 0.13 -4.80 119.74 116.05 2oqp s LYS 103 Ca 0.51 -0.57 -0.15 0.00 0.02 0.00 0.00 55.97 55.78 2oqp s LYS 103 Cb -0.09 0.50 0.19 0.00 -0.52 0.00 0.00 37.83 37.91 2oqp s LYS 103 CO 0.43 -0.56 1.18 -1.25 -0.92 0.00 0.00 175.35 174.24 2oqp s PRO 104 N -3.53 0.39 0.49 -1.68 0.04 -1.26 -2.75 135.00 126.70 2oqp s PRO 104 Ca 0.06 0.01 0.28 0.00 0.04 0.00 0.00 61.00 61.40 2oqp s PRO 104 Cb -0.02 -1.78 0.87 0.00 0.04 0.00 0.00 34.50 33.61 2oqp s PRO 104 CO -0.05 -2.65 1.80 -1.00 0.04 0.00 0.00 177.00 175.14 2oqp h PRO 105 N -1.82 0.00 0.25 0.56 0.13 -1.83 -0.53 132.00 128.76 2oqp h PRO 105 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2oqp h PRO 105 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2oqp h PRO 105 CO 0.48 0.00 -0.12 -0.22 -0.23 0.00 0.00 178.00 177.91 2oqp h LYS 106 N 0.00 -0.33 -0.25 0.86 3.11 -1.95 -2.39 116.57 115.62 2oqp h LYS 106 Ca 0.00 0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.74 2oqp h LYS 106 Cb 0.75 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.05 2oqp h LYS 106 CO 0.00 0.03 -0.32 0.93 -2.81 0.00 0.00 179.45 177.28 2oqp h GLU 107 N -0.83 0.66 -0.86 1.90 5.08 -1.94 -0.21 114.58 118.37 2oqp h GLU 107 Ca -0.03 -0.38 0.18 0.00 -1.00 0.00 0.00 59.36 58.13 2oqp h GLU 107 Cb 0.51 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 2oqp h GLU 107 CO 0.06 0.99 0.40 0.35 -1.00 0.00 0.00 179.01 179.80 2oqp h PHE 108 N 0.37 0.67 0.16 4.33 3.57 -1.17 0.91 116.94 125.78 2oqp h PHE 108 Ca 0.03 0.04 -0.30 0.00 3.53 0.00 0.00 57.97 61.27 2oqp h PHE 108 Cb 0.90 -0.17 0.02 0.00 2.79 0.00 0.00 35.95 39.50 2oqp h PHE 108 CO 0.08 0.05 -1.30 -0.07 -2.23 0.00 0.00 178.31 174.84 2oqp h LEU 109 N 0.49 0.71 -1.80 0.59 -0.00 -1.37 -1.17 115.31 112.76 2oqp h LEU 109 Ca 0.50 -0.71 -0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2oqp h LEU 109 Cb 0.85 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2oqp h LEU 109 CO -0.45 1.54 -0.01 -0.08 -0.00 0.00 0.00 178.44 179.44 2oqp h GLU 110 N 0.17 0.10 0.12 1.13 4.81 0.93 -0.63 114.58 121.21 2oqp h GLU 110 Ca -0.19 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.78 2oqp h GLU 110 Cb 2.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.36 2oqp h GLU 110 CO 0.24 0.13 -1.26 0.00 -0.73 0.00 0.00 179.01 177.38 2oqp h ARG 111 N 0.10 0.25 0.41 1.92 2.47 0.74 -3.14 114.38 117.13 2oqp h ARG 111 Ca 0.03 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.31 2oqp h ARG 111 Cb 0.10 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2oqp h ARG 111 CO 0.00 1.20 -0.44 0.35 0.56 0.00 0.00 179.97 181.64 2oqp h PHE 112 N -0.35 -1.22 -0.55 3.04 3.04 -0.86 1.42 116.94 121.47 2oqp h PHE 112 Ca -0.27 0.01 0.11 0.00 3.98 0.00 0.00 57.97 61.80 2oqp h PHE 112 Cb 1.71 0.48 -0.09 0.00 2.56 0.00 0.00 35.95 40.61 2oqp h PHE 112 CO 0.14 -0.58 0.02 -0.22 -2.02 0.00 0.00 178.31 175.66 2oqp h LYS 113 N -0.85 0.14 0.74 1.11 3.64 -1.31 0.34 116.57 120.37 2oqp h LYS 113 Ca -0.05 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2oqp h LYS 113 Cb 0.75 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2oqp h LYS 113 CO -0.07 0.09 -0.38 1.03 -2.27 0.00 0.00 179.45 177.86 2oqp h SER 114 N 0.14 -0.90 -1.09 4.20 0.87 -1.40 -0.83 113.55 114.55 2oqp h SER 114 Ca 0.28 0.04 0.42 0.00 -1.23 0.00 0.00 61.79 61.30 2oqp h SER 114 Cb 0.44 0.24 -0.17 0.00 -0.44 0.00 0.00 62.40 62.47 2oqp h SER 114 CO -0.45 -0.62 0.62 0.25 -0.53 0.00 0.00 176.83 176.10 2oqp h LEU 115 N -1.02 0.32 0.36 2.23 7.12 0.24 1.78 115.31 126.34 2oqp h LEU 115 Ca -0.10 0.23 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 2oqp h LEU 115 Cb 0.79 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 2oqp h LEU 115 CO 0.15 -0.36 -0.17 -0.07 -0.13 0.00 0.00 178.44 177.86 2oqp h LEU 116 N 0.04 -0.41 0.00 2.25 3.38 -0.38 0.91 115.31 121.10 2oqp h LEU 116 Ca 0.84 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.82 2oqp h LEU 116 Cb 2.30 0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.16 2oqp h LEU 116 CO -0.68 -0.25 0.00 0.00 0.09 0.00 0.00 178.44 177.60 2oqp n GLN 117 N -3.55 0.04 -0.01 1.13 10.64 0.64 0.44 117.38 126.72 2oqp n GLN 117 Ca -0.06 0.29 -0.00 0.00 -1.83 0.00 0.00 57.00 55.40 2oqp n GLN 117 Cb 0.19 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.07 2oqp n GLN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2oqp h LYS 118 N 0.00 0.00 0.00 2.61 1.63 0.30 -3.40 116.57 117.71 2oqp h LYS 118 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2oqp h LYS 118 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2oqp h LYS 118 CO 0.00 0.00 -0.37 -0.12 -3.45 0.00 0.00 179.45 175.51 2oqp n MET 119 N -2.45 0.27 -0.35 1.90 1.56 0.28 -4.09 117.12 114.25 2oqp n MET 119 Ca -0.00 0.34 -0.09 0.00 -0.27 0.00 0.00 57.70 57.67 2oqp n MET 119 Cb 0.02 -1.23 -0.08 0.00 2.15 0.00 0.00 33.22 34.08 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2oqp n ILE 120 N -3.62 -0.56 -0.37 1.12 -0.00 -0.11 0.15 119.36 115.97 2oqp n ILE 120 Ca -0.05 2.01 0.03 0.00 -0.00 0.00 0.00 62.75 64.74 2oqp n ILE 120 Cb 0.19 -2.49 0.09 0.00 -0.00 0.00 0.00 39.64 37.44 2oqp n ILE 120 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2oqp n HIS 121 N -5.04 0.21 -0.52 1.39 8.25 0.17 0.21 115.22 119.89 2oqp n HIS 121 Ca 0.02 1.21 0.41 0.00 -0.26 0.00 0.00 57.72 59.10 2oqp n HIS 121 Cb 0.22 -0.98 0.66 0.00 1.12 0.00 0.00 29.99 31.01 2oqp n HIS 121 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2oqp n GLN 122 N -5.54 -0.02 -0.23 -0.41 1.13 0.40 0.16 117.38 112.87 2oqp n GLN 122 Ca 0.13 1.04 0.02 0.00 -1.94 0.00 0.00 57.00 56.26 2oqp n GLN 122 Cb 0.45 -2.20 0.12 0.00 0.11 0.00 0.00 30.24 28.71 2oqp n GLN 122 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2oqp h HIS 123 N 0.00 -0.13 -1.00 1.08 2.76 0.25 0.40 115.15 118.51 2oqp h HIS 123 Ca 0.81 0.05 0.33 0.00 -2.20 0.00 0.00 60.37 59.36 2oqp h HIS 123 Cb 2.91 0.17 -0.18 0.00 1.55 0.00 0.00 27.41 31.85 2oqp h HIS 123 CO -0.00 -0.23 0.23 1.47 -1.30 0.00 0.00 177.93 178.09 2oqp n LEU 124 N -5.35 0.07 -3.29 0.26 -0.00 0.43 -3.92 117.00 105.19 2oqp n LEU 124 Ca 0.11 1.68 -0.06 0.00 -0.00 0.00 0.00 56.01 57.73 2oqp n LEU 124 Cb 0.40 -0.69 -0.06 0.00 -0.00 0.00 0.00 43.42 43.07 2oqp n LEU 124 CO 0.06 -1.77 -0.02 -0.55 -0.00 0.00 0.00 177.39 175.12 2oqp s SER 125 N -4.81 -0.09 0.00 1.45 0.15 0.14 -4.92 113.70 105.62 2oqp s SER 125 Ca -0.11 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2oqp s SER 125 Cb 0.31 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 2oqp s SER 125 CO 0.78 -0.31 0.00 -0.24 1.20 0.00 0.00 173.24 174.67 2oqp n SER 126 N 5.37 0.00 -2.65 5.45 2.88 -0.98 -4.78 113.62 118.91 2oqp n SER 126 Ca -0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.49 2oqp n SER 126 Cb 0.50 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.05 2oqp n SER 126 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2oqp n ARG 127 N -0.47 0.02 -1.84 -1.46 0.63 -1.26 -5.09 116.66 107.19 2oqp n ARG 127 Ca 0.00 -0.53 -0.41 0.00 -0.92 0.00 0.00 57.85 55.99 2oqp n ARG 127 Cb 0.00 -0.03 -0.01 0.00 0.45 0.00 0.00 32.46 32.87 2oqp n ARG 127 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2oqp s THR 128 N 0.01 2.16 -0.09 5.15 2.01 -1.26 -4.96 115.64 118.66 2oqp s THR 128 Ca 0.24 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 2oqp s THR 128 Cb 0.21 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2oqp s THR 128 CO -0.08 0.03 -0.11 -0.74 -0.69 0.00 0.00 174.62 173.03 2oqp h HIS 129 N 3.69 0.00 0.00 4.92 2.76 -2.01 -3.51 115.15 121.00 2oqp h HIS 129 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2oqp h HIS 129 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 2oqp h HIS 129 CO 0.55 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.59 2oqp n GLY 130 N 1.67 0.19 1.46 5.26 0.00 -1.26 -5.13 105.19 107.39 2oqp n GLY 130 Ca -0.04 -1.28 0.19 0.00 0.00 0.00 0.00 46.02 44.88 2oqp n GLY 130 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2oqp n SER 131 N 0.00 -8.68 -2.23 1.61 2.88 -1.26 -4.92 113.62 101.02 2oqp n SER 131 Ca 0.00 1.09 -0.03 0.00 -1.33 0.00 0.00 58.87 58.60 2oqp n SER 131 Cb 0.00 -4.76 0.08 0.00 -0.75 0.00 0.00 64.21 58.78 2oqp n SER 131 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2oqp n GLU 132 N -4.34 1.00 0.44 -1.46 0.28 -1.26 -4.99 120.64 110.31 2oqp n GLU 132 Ca -0.05 -1.11 -0.19 0.00 -0.16 0.00 0.00 57.16 55.66 2oqp n GLU 132 Cb 0.68 0.43 -0.09 0.00 1.43 0.00 0.00 31.44 33.89 2oqp n GLU 132 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2oqp h ASP 133 N 0.73 -0.92 0.00 -1.84 5.19 -2.08 -3.58 116.42 113.92 2oqp h ASP 133 Ca -0.46 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2oqp h ASP 133 Cb 1.31 0.24 0.00 0.00 0.18 0.00 0.00 39.33 41.06 2oqp h ASP 133 CO -0.20 -0.64 0.00 -0.24 -3.12 0.00 0.00 179.24 175.03