#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 0.59 0.00 0.03 10.64 -1.26 -5.09 117.38 122.29 2oqp n GLN 2 Ca 0.00 -0.89 0.00 0.00 -1.83 0.00 0.00 57.00 54.28 2oqp n GLN 2 Cb 0.00 0.07 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 2oqp n GLN 2 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2oqp n GLY 3 N -0.62 -1.22 3.77 2.61 0.00 -1.26 -5.13 105.19 103.34 2oqp n GLY 3 Ca -0.14 0.52 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 2oqp n GLY 3 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2oqp s GLN 4 N 0.00 4.00 -0.43 1.61 -2.07 -1.26 -4.98 119.66 116.53 2oqp s GLN 4 Ca 0.00 2.14 0.01 0.00 -1.82 0.00 0.00 55.36 55.69 2oqp s GLN 4 Cb 0.00 -2.78 0.20 0.00 -1.09 0.00 0.00 33.01 29.34 2oqp s GLN 4 CO 0.00 -0.46 0.90 -0.51 -1.32 0.00 0.00 175.29 173.90 2oqp s ASP 5 N -0.74 -0.90 0.24 12.60 1.01 -1.26 -4.87 116.67 122.75 2oqp s ASP 5 Ca 0.56 -1.06 -0.12 0.00 0.71 0.00 0.00 52.55 52.64 2oqp s ASP 5 Cb -0.38 1.18 0.33 0.00 1.01 0.00 0.00 42.92 45.06 2oqp s ASP 5 CO 0.49 -0.03 1.47 0.54 0.21 0.00 0.00 175.17 177.84 2oqp n ARG 6 N 2.81 -0.15 -0.07 8.23 1.74 -1.26 0.30 116.66 128.25 2oqp n ARG 6 Ca 0.15 1.46 -0.13 0.00 -0.77 0.00 0.00 57.85 58.56 2oqp n ARG 6 Cb 0.60 -2.17 -0.08 0.00 -1.02 0.00 0.00 32.46 29.79 2oqp n ARG 6 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 2oqp h HIS 7 N 0.00 -1.46 -0.46 -1.55 2.07 -1.99 -0.50 115.15 111.26 2oqp h HIS 7 Ca 0.39 0.07 0.05 0.00 -2.85 0.00 0.00 60.37 58.02 2oqp h HIS 7 Cb 0.62 0.67 -0.07 0.00 2.57 0.00 0.00 27.41 31.21 2oqp h HIS 7 CO -0.78 -0.49 -0.42 1.98 -3.07 0.00 0.00 177.93 175.14 2oqp h MET 8 N -0.46 -0.18 -0.75 5.12 1.85 -0.57 0.76 114.93 120.70 2oqp h MET 8 Ca 0.08 0.01 0.14 0.00 -0.61 0.00 0.00 59.70 59.32 2oqp h MET 8 Cb 0.63 0.04 -0.14 0.00 0.43 0.00 0.00 31.60 32.56 2oqp h MET 8 CO -0.50 -0.12 -0.26 0.82 -0.40 0.00 0.00 176.91 176.45 2oqp h ILE 9 N -0.19 0.18 -0.93 1.77 5.03 -0.77 0.52 117.51 123.12 2oqp h ILE 9 Ca 0.08 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.05 2oqp h ILE 9 Cb 0.39 0.18 -0.17 0.00 -3.03 0.00 0.00 36.82 34.19 2oqp h ILE 9 CO -0.54 0.00 -0.01 -0.09 -0.68 0.00 0.00 178.15 176.83 2oqp h ARG 10 N -0.05 0.04 0.50 2.37 1.12 0.77 1.29 114.38 120.42 2oqp h ARG 10 Ca 0.33 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.18 2oqp h ARG 10 Cb 0.57 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 2oqp h ARG 10 CO -0.79 0.02 -0.24 0.52 -3.11 0.00 0.00 179.97 176.37 2oqp h MET 11 N 0.04 -0.65 -1.01 0.20 0.00 0.57 0.21 114.93 114.28 2oqp h MET 11 Ca 0.54 0.04 0.23 0.00 0.00 0.00 0.00 59.70 60.51 2oqp h MET 11 Cb 1.03 0.15 -0.11 0.00 0.00 0.00 0.00 31.60 32.67 2oqp h MET 11 CO -0.87 -0.44 0.61 0.00 0.00 0.00 0.00 176.91 176.22 2oqp h ARG 12 N -0.80 0.58 -0.20 1.72 3.08 -0.40 0.18 114.38 118.54 2oqp h ARG 12 Ca -0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2oqp h ARG 12 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2oqp h ARG 12 CO 0.11 0.39 0.08 1.96 -1.07 0.00 0.00 179.97 181.44 2oqp h GLN 13 N 0.60 0.30 -0.27 0.04 1.08 0.17 0.28 115.11 117.31 2oqp h GLN 13 Ca 0.62 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.82 2oqp h GLN 13 Cb 1.18 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.51 2oqp h GLN 13 CO -0.42 0.37 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.65 2oqp h LEU 14 N 0.17 -0.37 0.59 1.46 3.38 0.14 1.05 115.31 121.73 2oqp h LEU 14 Ca 0.07 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2oqp h LEU 14 Cb 0.18 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2oqp h LEU 14 CO -0.01 -0.14 -0.28 0.40 0.09 0.00 0.00 178.44 178.50 2oqp h ILE 15 N -0.06 0.40 -0.79 1.22 5.03 -1.02 -1.14 117.51 121.16 2oqp h ILE 15 Ca 0.14 -0.08 0.17 0.00 -0.12 0.00 0.00 64.86 64.96 2oqp h ILE 15 Cb 0.27 0.44 -0.11 0.00 -3.03 0.00 0.00 36.82 34.39 2oqp h ILE 15 CO -0.32 0.01 0.29 -0.78 -0.68 0.00 0.00 178.15 176.68 2oqp h ASP 16 N -0.85 0.23 -0.06 1.72 1.82 0.03 0.49 116.42 119.79 2oqp h ASP 16 Ca -0.08 0.13 0.04 0.00 -0.39 0.00 0.00 57.03 56.72 2oqp h ASP 16 Cb 0.63 0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.72 2oqp h ASP 16 CO 0.13 0.04 -0.19 0.40 -1.61 0.00 0.00 179.24 178.01 2oqp h ILE 17 N 0.39 0.53 0.95 2.25 2.04 0.15 1.25 117.51 125.07 2oqp h ILE 17 Ca 0.45 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.27 2oqp h ILE 17 Cb 0.76 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2oqp h ILE 17 CO -0.46 0.00 -0.47 0.58 0.00 0.00 0.00 178.15 177.79 2oqp h VAL 18 N -0.28 0.00 -0.87 1.67 2.07 0.37 -1.12 116.25 118.09 2oqp h VAL 18 Ca 0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.81 2oqp h VAL 18 Cb 0.39 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 2oqp h VAL 18 CO -0.23 0.00 0.35 -0.78 0.02 0.00 0.00 177.57 176.93 2oqp h ASP 19 N -1.30 0.26 -0.20 0.57 3.58 0.09 0.68 116.42 120.10 2oqp h ASP 19 Ca -0.13 0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.52 2oqp h ASP 19 Cb 1.00 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 2oqp h ASP 19 CO 0.20 -0.01 -0.13 -0.61 -2.88 0.00 0.00 179.24 175.81 2oqp h GLN 20 N 0.38 -0.12 -0.49 0.28 5.75 0.20 0.51 115.11 121.62 2oqp h GLN 20 Ca 0.53 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.97 2oqp h GLN 20 Cb 0.99 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 2oqp h GLN 20 CO -0.53 -0.08 0.04 1.25 -2.65 0.00 0.00 178.83 176.86 2oqp h LEU 21 N -0.13 0.81 -0.89 -2.39 7.12 0.58 -2.61 115.31 117.81 2oqp h LEU 21 Ca 0.12 -0.28 0.09 0.00 0.13 0.00 0.00 57.88 57.93 2oqp h LEU 21 Cb 0.30 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 40.14 2oqp h LEU 21 CO -0.28 0.89 0.54 0.11 -0.13 0.00 0.00 178.44 179.57 2oqp h LYS 22 N 0.70 0.89 0.00 1.25 1.57 0.11 0.75 116.57 121.83 2oqp h LYS 22 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2oqp h LYS 22 Cb 0.45 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2oqp h LYS 22 CO 0.02 0.59 0.00 0.09 -0.57 0.00 0.00 179.45 179.58 2oqp n ASN 23 N -4.66 0.54 -1.07 0.86 4.13 0.17 -0.57 115.26 114.66 2oqp n ASN 23 Ca 0.15 0.73 -0.02 0.00 1.68 0.00 0.00 54.58 57.11 2oqp n ASN 23 Cb 0.26 -0.81 0.20 0.00 -1.54 0.00 0.00 39.78 37.90 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2oqp n TYR 24 N -2.20 0.90 -0.25 3.10 4.01 0.26 -4.70 117.16 118.27 2oqp n TYR 24 Ca -0.01 -1.58 0.31 0.00 -0.16 0.00 0.00 57.90 56.46 2oqp n TYR 24 Cb 0.06 -0.45 0.71 0.00 -0.31 0.00 0.00 39.34 39.35 2oqp n TYR 24 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2oqp h VAL 25 N 1.01 0.49 0.00 -0.72 2.07 -0.52 1.20 116.25 119.78 2oqp h VAL 25 Ca 0.18 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2oqp h VAL 25 Cb 1.55 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2oqp h VAL 25 CO 0.32 0.01 0.30 -1.13 0.02 0.00 0.00 177.57 177.09 2oqp h ASN 26 N 0.05 0.00 -1.20 0.57 -0.73 -1.84 0.32 115.58 112.75 2oqp h ASN 26 Ca 0.50 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 58.10 2oqp h ASN 26 Cb 1.91 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 40.08 2oqp h ASN 26 CO -0.04 0.00 -0.74 0.47 -0.37 0.00 0.00 177.43 176.75 2oqp n ASP 27 N -2.85 4.84 -4.07 1.15 9.92 0.41 -4.83 116.55 121.12 2oqp n ASP 27 Ca -0.02 -3.73 -0.32 0.00 -0.53 0.00 0.00 54.79 50.19 2oqp n ASP 27 Cb 0.35 -0.42 -0.16 0.00 -0.64 0.00 0.00 41.12 40.25 2oqp n ASP 27 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2oqp s LEU 28 N -3.57 2.43 -0.15 0.64 1.43 0.11 -2.30 118.68 117.27 2oqp s LEU 28 Ca 0.49 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 2oqp s LEU 28 Cb 0.41 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2oqp s LEU 28 CO -0.09 -0.09 0.97 0.54 0.23 0.00 0.00 176.35 177.91 2oqp s VAL 29 N 1.29 4.78 -0.35 -1.59 0.11 -0.52 -4.51 120.40 119.63 2oqp s VAL 29 Ca 0.00 1.94 -0.29 0.00 -2.93 0.00 0.00 61.98 60.70 2oqp s VAL 29 Cb -0.15 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 2oqp s VAL 29 CO -0.10 -0.03 1.37 -2.16 -3.33 0.00 0.00 175.10 170.85 2oqp s PRO 30 N 2.33 3.75 0.09 1.54 0.04 -1.26 -4.69 135.00 136.80 2oqp s PRO 30 Ca 0.45 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 2oqp s PRO 30 Cb -0.17 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2oqp s PRO 30 CO 0.14 -1.33 0.07 -1.21 0.04 0.00 0.00 177.00 174.71 2oqp s GLU 31 N 4.55 0.80 -0.75 4.56 0.41 -1.26 -5.07 118.70 121.94 2oqp s GLU 31 Ca 0.59 -1.22 -0.26 0.00 -0.41 0.00 0.00 54.97 53.68 2oqp s GLU 31 Cb -0.16 0.26 -0.06 0.00 -1.78 0.00 0.00 34.13 32.39 2oqp s GLU 31 CO 0.28 -0.22 2.10 -0.06 -0.49 0.00 0.00 175.26 176.87 2oqp s PHE 32 N -3.95 1.51 -0.18 1.61 0.40 -1.26 -4.66 117.98 111.45 2oqp s PHE 32 Ca 0.12 1.11 -0.07 0.00 -0.60 0.00 0.00 56.93 57.50 2oqp s PHE 32 Cb 0.07 -3.85 -0.04 0.00 0.51 0.00 0.00 43.02 39.71 2oqp s PHE 32 CO -0.06 -1.95 0.05 -0.51 0.70 0.00 0.00 175.22 173.45 2oqp s LEU 33 N 11.22 3.69 0.14 -0.37 1.02 -1.08 -4.90 118.68 128.40 2oqp s LEU 33 Ca 0.78 0.02 -0.30 0.00 0.02 0.00 0.00 54.13 54.65 2oqp s LEU 33 Cb -0.11 -1.93 -0.07 0.00 0.02 0.00 0.00 46.19 44.10 2oqp s LEU 33 CO 0.10 0.15 1.13 -2.16 0.02 0.00 0.00 176.35 175.60 2oqp s PRO 34 N 0.49 4.54 -0.02 1.29 0.04 -1.26 0.13 135.00 140.21 2oqp s PRO 34 Ca 0.02 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.81 2oqp s PRO 34 Cb -0.13 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.13 2oqp s PRO 34 CO 0.01 -0.03 -0.02 0.00 0.04 0.00 0.00 177.00 177.00 2oqp s ALA 35 N 0.14 0.34 0.09 8.56 0.00 -1.26 -4.55 121.76 125.08 2oqp s ALA 35 Ca 0.52 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2oqp s ALA 35 Cb -0.29 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 2oqp s ALA 35 CO 0.34 -0.01 1.15 -1.25 0.00 0.00 0.00 175.76 175.99 2oqp s PRO 36 N 0.59 4.48 -0.36 0.00 0.04 -1.26 -4.58 135.00 133.91 2oqp s PRO 36 Ca -0.06 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 2oqp s PRO 36 Cb -0.09 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2oqp s PRO 36 CO -0.01 -0.15 0.21 -2.00 0.04 0.00 0.00 177.00 175.09 2oqp s GLU 37 N 0.67 3.05 -0.33 4.56 2.12 -1.26 -4.71 118.70 122.81 2oqp s GLU 37 Ca 0.56 -0.93 -0.18 0.00 0.36 0.00 0.00 54.97 54.77 2oqp s GLU 37 Cb -0.29 -3.74 0.03 0.00 0.26 0.00 0.00 34.13 30.38 2oqp s GLU 37 CO 0.31 -0.61 0.40 -3.47 -0.54 0.00 0.00 175.26 171.35 2oqp n ASP 38 N 5.04 -6.86 -4.83 -1.70 -0.08 -1.26 -4.93 116.55 101.93 2oqp n ASP 38 Ca -0.12 0.43 -0.34 0.00 -1.51 0.00 0.00 54.79 53.25 2oqp n ASP 38 Cb 0.47 -3.35 -0.06 0.00 2.34 0.00 0.00 41.12 40.52 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 -1.73 4.54 1.06 5.18 -7.23 -1.26 -5.04 120.40 115.91 2oqp s VAL 39 Ca 0.20 1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 61.48 2oqp s VAL 39 Cb -0.03 -3.70 0.15 0.00 0.56 0.00 0.00 36.38 33.36 2oqp s VAL 39 CO 0.66 -0.10 0.63 1.21 -0.31 0.00 0.00 175.10 177.19 2oqp n GLU 40 N -0.10 -1.32 -0.25 4.82 2.13 -1.26 -4.72 120.64 119.94 2oqp n GLU 40 Ca 0.03 -0.35 -0.02 0.00 0.66 0.00 0.00 57.16 57.48 2oqp n GLU 40 Cb 0.53 -2.01 0.04 0.00 0.27 0.00 0.00 31.44 30.27 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 -2.10 0.18 -2.04 6.31 2.02 -1.96 -0.84 112.91 114.48 2oqp h THR 41 Ca -0.51 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 65.98 2oqp h THR 41 Cb 1.32 0.18 -0.35 0.00 -1.74 0.00 0.00 68.15 67.55 2oqp h THR 41 CO 0.41 0.00 0.10 0.59 0.37 0.00 0.00 175.52 176.99 2oqp n ASN 42 N -5.47 5.88 0.00 4.18 3.02 -1.26 -4.47 115.26 117.14 2oqp n ASN 42 Ca 0.07 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 2oqp n ASN 42 Cb 0.37 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oqp n GLU 44 N -2.19 -0.02 0.38 0.00 0.00 -1.23 0.21 120.64 117.79 2oqp n GLU 44 Ca 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 57.16 57.97 2oqp n GLU 44 Cb 0.41 -1.94 -0.07 0.00 0.00 0.00 0.00 31.44 29.83 2oqp n GLU 44 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 2oqp h TRP 45 N 0.00 -0.92 0.00 4.31 4.06 -1.91 1.22 115.95 122.70 2oqp h TRP 45 Ca 0.70 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.62 2oqp h TRP 45 Cb 2.32 0.30 0.00 0.00 -1.00 0.00 0.00 29.16 30.79 2oqp h TRP 45 CO -0.00 -0.57 0.00 0.45 -3.56 0.00 0.00 178.44 174.76 2oqp n SER 46 N -5.44 0.55 0.01 -3.49 2.88 0.56 -1.04 113.62 107.64 2oqp n SER 46 Ca -0.13 0.74 -0.21 0.00 -1.33 0.00 0.00 58.87 57.95 2oqp n SER 46 Cb 0.40 -0.82 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 2oqp n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oqp n ALA 47 N -1.77 0.90 -0.35 -1.46 0.00 0.18 -4.25 120.51 113.76 2oqp n ALA 47 Ca -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 53.44 52.87 2oqp n ALA 47 Cb 0.05 -0.69 0.09 0.00 0.00 0.00 0.00 19.45 18.90 2oqp n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2oqp n PHE 48 N -3.47 0.19 -0.33 0.00 -0.00 0.41 0.21 117.46 114.48 2oqp n PHE 48 Ca -0.31 1.15 0.13 0.00 -0.00 0.00 0.00 57.45 58.42 2oqp n PHE 48 Cb 1.05 -0.95 0.32 0.00 -0.00 0.00 0.00 39.48 39.90 2oqp n PHE 48 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2oqp h SER 49 N 0.00 0.56 -0.93 -2.13 4.64 -1.73 0.54 113.55 114.49 2oqp h SER 49 Ca 0.39 0.13 0.26 0.00 -0.47 0.00 0.00 61.79 62.09 2oqp h SER 49 Cb 0.63 0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 62.63 2oqp h SER 49 CO -0.95 0.12 0.42 0.00 -0.87 0.00 0.00 176.83 175.55 2oqp h PHE 51 N 0.35 0.55 -0.21 0.00 0.04 0.11 -0.79 116.94 116.98 2oqp h PHE 51 Ca 0.62 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 2oqp h PHE 51 Cb 1.26 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 2oqp h PHE 51 CO -0.12 1.17 0.02 0.37 -0.60 0.00 0.00 178.31 179.14 2oqp h GLN 52 N 0.18 0.35 -0.24 1.51 -0.00 0.16 -2.98 115.11 114.08 2oqp h GLN 52 Ca -0.09 -0.10 -0.16 0.00 -0.00 0.00 0.00 58.65 58.30 2oqp h GLN 52 Cb 1.67 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 29.11 2oqp h GLN 52 CO 0.17 0.53 -0.49 1.57 0.00 0.00 0.00 178.83 180.61 2oqp h LYS 53 N 0.13 0.66 -0.96 1.69 5.09 0.15 -3.17 116.57 120.16 2oqp h LYS 53 Ca 0.06 -0.39 0.15 0.00 0.09 0.00 0.00 60.65 60.56 2oqp h LYS 53 Cb 0.36 0.03 -0.15 0.00 0.10 0.00 0.00 32.23 32.57 2oqp h LYS 53 CO 0.01 1.00 -0.38 0.00 -2.09 0.00 0.00 179.45 177.98 2oqp n ALA 54 N -2.53 -0.14 -2.18 0.07 0.00 -0.30 -4.90 120.51 110.52 2oqp n ALA 54 Ca -0.03 0.95 -0.02 0.00 0.00 0.00 0.00 53.44 54.34 2oqp n ALA 54 Cb 0.58 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 2oqp n ALA 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2oqp n GLN 55 N -5.41 -3.69 -2.69 0.00 7.27 -1.20 -4.92 117.38 106.74 2oqp n GLN 55 Ca 0.09 2.85 -0.42 0.00 0.07 0.00 0.00 57.00 59.60 2oqp n GLN 55 Cb 0.38 -3.90 -0.03 0.00 2.41 0.00 0.00 30.24 29.10 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 -0.48 4.33 0.00 1.69 1.98 -1.26 -5.04 118.68 119.91 2oqp s LEU 56 Ca -0.12 1.63 0.03 0.00 -2.89 0.00 0.00 54.13 52.78 2oqp s LEU 56 Cb 0.01 -3.57 -0.03 0.00 0.66 0.00 0.00 46.19 43.26 2oqp s LEU 56 CO 0.33 -0.32 -0.06 -0.75 -1.89 0.00 0.00 176.35 173.65 2oqp s LYS 57 N 1.31 2.57 0.49 1.98 2.47 -1.26 -4.88 119.74 122.42 2oqp s LYS 57 Ca 0.51 -0.71 -0.05 0.00 -1.56 0.00 0.00 55.97 54.16 2oqp s LYS 57 Cb -0.20 -2.51 -0.02 0.00 -1.46 0.00 0.00 37.83 33.63 2oqp s LYS 57 CO 0.25 0.61 0.79 0.45 0.16 0.00 0.00 175.35 177.61 2oqp s SER 58 N -1.40 6.10 0.10 1.43 0.15 -1.26 -1.44 113.70 117.38 2oqp s SER 58 Ca 0.17 0.82 0.10 0.00 0.70 0.00 0.00 55.95 57.74 2oqp s SER 58 Cb -0.11 -2.08 0.48 0.00 -1.71 0.00 0.00 66.02 62.60 2oqp s SER 58 CO 0.07 -0.67 1.31 0.00 1.20 0.00 0.00 173.24 175.15 2oqp n ALA 59 N -2.29 1.21 0.00 5.45 0.00 -0.97 -4.09 120.51 119.82 2oqp n ALA 59 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2oqp n ALA 59 Cb 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.74 0.00 -3.29 0.00 4.13 -1.26 -4.57 115.26 108.53 2oqp n ASN 60 Ca 0.01 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 2oqp n ASN 60 Cb 0.06 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.28 2oqp n ASN 60 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2oqp n THR 61 N 0.00 1.96 -0.06 3.41 5.66 -1.26 -4.59 114.28 119.40 2oqp n THR 61 Ca 0.00 -1.30 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 2oqp n THR 61 Cb 0.00 -2.12 0.00 0.00 -1.55 0.00 0.00 70.33 66.66 2oqp n THR 61 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2oqp n GLY 62 N 4.03 5.15 1.32 1.09 0.00 -1.26 -5.08 105.19 110.44 2oqp n GLY 62 Ca 0.41 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2oqp n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2oqp n ASN 63 N 0.00 0.22 0.17 1.61 5.15 -1.26 -4.76 115.26 116.39 2oqp n ASN 63 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 2oqp n ASN 63 Cb 0.00 0.00 0.61 0.00 -0.53 0.00 0.00 39.78 39.86 2oqp n ASN 63 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2oqp h ASN 64 N 0.00 0.00 -1.37 1.20 -0.26 -1.94 -2.92 115.58 110.30 2oqp h ASN 64 Ca 0.00 0.00 0.44 0.00 -0.56 0.00 0.00 56.30 56.18 2oqp h ASN 64 Cb 0.21 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 37.37 2oqp h ASN 64 CO 0.00 0.00 0.93 1.21 -1.06 0.00 0.00 177.43 178.51 2oqp n GLU 65 N -2.30 -0.02 -0.07 0.81 0.00 -1.26 0.18 120.64 117.98 2oqp n GLU 65 Ca -0.01 1.02 -0.15 0.00 0.00 0.00 0.00 57.16 58.02 2oqp n GLU 65 Cb 0.06 -2.12 -0.13 0.00 0.00 0.00 0.00 31.44 29.25 2oqp n GLU 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2oqp h ARG 66 N 0.00 0.01 0.00 5.31 9.65 -1.91 -2.61 114.38 124.83 2oqp h ARG 66 Ca 0.77 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.64 2oqp h ARG 66 Cb 2.72 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 31.31 2oqp h ARG 66 CO -0.26 1.01 0.00 1.51 2.80 0.00 0.00 179.97 185.03 2oqp n ILE 67 N -4.58 1.29 -0.09 1.20 0.13 0.48 -1.72 119.36 116.07 2oqp n ILE 67 Ca -0.12 0.58 -0.18 0.00 -1.10 0.00 0.00 62.75 61.93 2oqp n ILE 67 Cb 0.51 -1.55 -0.11 0.00 -0.84 0.00 0.00 39.64 37.64 2oqp n ILE 67 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 2oqp h ILE 68 N 0.00 1.10 -1.04 9.51 5.03 0.58 -3.33 117.51 129.36 2oqp h ILE 68 Ca 0.00 -2.14 0.30 0.00 -0.12 0.00 0.00 64.86 62.90 2oqp h ILE 68 Cb 0.06 2.40 -0.04 0.00 -3.03 0.00 0.00 36.82 36.21 2oqp h ILE 68 CO 0.00 0.37 0.75 -1.13 -0.68 0.00 0.00 178.15 177.47 2oqp h ASN 69 N -1.00 0.00 -0.04 1.72 -1.24 -0.93 1.66 115.58 115.75 2oqp h ASN 69 Ca -0.22 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.72 2oqp h ASN 69 Cb 1.14 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 2oqp h ASN 69 CO -0.13 0.00 -0.16 -0.37 -1.29 0.00 0.00 177.43 175.47 2oqp h VAL 70 N 0.00 1.22 0.00 2.57 -1.51 -1.59 -2.81 116.25 114.14 2oqp h VAL 70 Ca 0.50 -1.01 -0.02 0.00 -1.23 0.00 0.00 66.70 64.94 2oqp h VAL 70 Cb 2.00 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 32.39 2oqp h VAL 70 CO -0.01 0.32 -0.10 0.28 -1.23 0.00 0.00 177.57 176.84 2oqp h SER 71 N 0.35 0.00 -0.93 4.19 0.02 0.22 -3.32 113.55 114.09 2oqp h SER 71 Ca 0.06 -0.86 0.32 0.00 -0.84 0.00 0.00 61.79 60.48 2oqp h SER 71 Cb 0.49 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.86 2oqp h SER 71 CO 0.03 0.99 0.25 -0.38 -1.14 0.00 0.00 176.83 176.58 2oqp n ILE 72 N -4.61 -0.39 0.01 3.27 5.41 0.19 0.22 119.36 123.45 2oqp n ILE 72 Ca -0.11 1.96 -0.01 0.00 1.00 0.00 0.00 62.75 65.60 2oqp n ILE 72 Cb 0.45 -3.02 -0.00 0.00 -0.71 0.00 0.00 39.64 36.35 2oqp n ILE 72 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2oqp h LYS 73 N 0.00 -0.03 -0.05 0.38 1.79 -1.59 -0.92 116.57 116.15 2oqp h LYS 73 Ca 0.67 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 59.16 2oqp h LYS 73 Cb 1.61 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.25 2oqp h LYS 73 CO -0.80 -0.02 -0.04 0.87 -1.08 0.00 0.00 179.45 178.38 2oqp h LYS 74 N -0.03 -0.05 -1.86 3.15 6.56 -0.76 -0.71 116.57 122.86 2oqp h LYS 74 Ca -0.00 0.00 0.55 0.00 -1.06 0.00 0.00 60.65 60.14 2oqp h LYS 74 Cb 0.03 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.61 2oqp h LYS 74 CO -0.01 -0.03 1.33 -0.11 -2.06 0.00 0.00 179.45 178.57 2oqp n LEU 75 N -5.16 0.02 -2.17 2.94 7.94 0.58 0.82 117.00 121.97 2oqp n LEU 75 Ca -0.05 1.01 -0.18 0.00 -1.11 0.00 0.00 56.01 55.67 2oqp n LEU 75 Cb 0.09 -0.50 -0.10 0.00 0.53 0.00 0.00 43.42 43.44 2oqp n LEU 75 CO 0.29 -1.02 1.54 0.29 -1.11 0.00 0.00 177.39 177.38 2oqp n LYS 76 N -3.95 2.10 -3.33 1.96 4.76 -0.27 -4.66 118.16 114.76 2oqp n LYS 76 Ca 0.43 -1.55 -0.44 0.00 -2.87 0.00 0.00 58.31 53.88 2oqp n LYS 76 Cb 1.92 -1.98 -0.08 0.00 -1.84 0.00 0.00 35.03 33.06 2oqp n LYS 76 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2oqp s ARG 77 N -0.41 3.03 0.91 1.97 0.52 0.24 -5.04 118.95 120.17 2oqp s ARG 77 Ca 0.57 -1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 54.56 2oqp s ARG 77 Cb 0.32 -4.08 0.13 0.00 0.52 0.00 0.00 34.95 31.85 2oqp s ARG 77 CO -0.10 -1.01 1.09 -1.59 0.02 0.00 0.00 175.30 173.71 2oqp s LYS 78 N 1.96 1.18 0.78 3.54 0.00 -1.26 -4.91 119.74 121.03 2oqp s LYS 78 Ca 0.08 0.82 -0.11 0.00 0.00 0.00 0.00 55.97 56.76 2oqp s LYS 78 Cb -0.21 -1.80 0.06 0.00 0.00 0.00 0.00 37.83 35.88 2oqp s LYS 78 CO 0.09 -2.30 1.09 -1.25 0.00 0.00 0.00 175.35 172.99 2oqp s PRO 79 N -4.92 2.22 1.10 1.78 0.04 -1.26 -5.06 135.00 128.90 2oqp s PRO 79 Ca 0.64 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 2oqp s PRO 79 Cb -0.18 -1.93 0.25 0.00 0.04 0.00 0.00 34.50 32.68 2oqp s PRO 79 CO 0.57 -1.53 1.23 -1.25 0.04 0.00 0.00 177.00 176.05 2oqp s PRO 80 N -5.14 -0.43 0.52 0.56 0.04 -1.26 -4.75 135.00 124.53 2oqp s PRO 80 Ca 0.60 -0.30 0.31 0.00 0.04 0.00 0.00 61.00 61.65 2oqp s PRO 80 Cb -0.14 -1.71 1.44 0.00 0.04 0.00 0.00 34.50 34.13 2oqp s PRO 80 CO 0.54 -3.15 1.85 0.77 0.04 0.00 0.00 177.00 177.05 2oqp h SER 81 N -2.17 0.08 0.07 6.66 0.02 -2.02 1.34 113.55 117.52 2oqp h SER 81 Ca -0.44 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2oqp h SER 81 Cb 1.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2oqp h SER 81 CO 0.33 0.02 0.00 1.07 -1.14 0.00 0.00 176.83 177.11 2oqp n THR 82 N -4.29 1.09 -0.01 -2.27 5.66 -1.26 -3.16 114.28 110.04 2oqp n THR 82 Ca 0.22 0.67 -0.00 0.00 -3.05 0.00 0.00 64.05 61.88 2oqp n THR 82 Cb 1.03 -1.66 -0.00 0.00 -1.55 0.00 0.00 70.33 68.15 2oqp n THR 82 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 2oqp h ASN 83 N 0.00 -0.06 -3.50 1.09 -0.00 0.15 -3.47 115.58 109.78 2oqp h ASN 83 Ca 0.00 0.01 0.34 0.00 -0.00 0.00 0.00 56.30 56.65 2oqp h ASN 83 Cb 0.04 0.03 -0.13 0.00 -0.00 0.00 0.00 38.32 38.25 2oqp h ASN 83 CO 0.00 -0.01 -0.79 0.00 -0.00 0.00 0.00 177.43 176.62 2oqp n ALA 84 N -2.82 -3.40 -3.00 1.57 0.00 -1.19 -4.70 120.51 106.97 2oqp n ALA 84 Ca -0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2oqp n ALA 84 Cb 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -4.12 3.22 3.54 0.00 0.00 -1.26 -4.87 105.19 101.69 2oqp n GLY 85 Ca -0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2oqp n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2oqp s ARG 86 N 1.11 3.48 0.06 1.61 3.52 -1.26 -4.59 118.95 122.87 2oqp s ARG 86 Ca 0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2oqp s ARG 86 Cb 0.00 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2oqp s ARG 86 CO 0.00 -0.70 0.00 -2.13 -0.81 0.00 0.00 175.30 171.66 2oqp n ARG 87 N 5.70 0.00 0.09 5.12 3.00 -1.26 -5.04 116.66 124.27 2oqp n ARG 87 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2oqp n ARG 87 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 2oqp n ARG 87 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2oqp n GLN 88 N -2.72 0.00 -1.39 -0.14 0.00 -1.26 -5.08 117.38 106.79 2oqp n GLN 88 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.00 56.44 2oqp n GLN 88 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 2oqp n GLN 88 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2oqp n LYS 89 N -2.91 0.58 0.00 3.69 2.85 -1.26 -4.90 118.16 116.21 2oqp n LYS 89 Ca 0.00 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 2oqp n LYS 89 Cb 0.00 -1.98 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2oqp n HIS 90 N 8.23 0.00 0.00 5.58 -0.00 -1.26 -4.53 115.22 123.24 2oqp n HIS 90 Ca 0.46 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.64 2oqp n HIS 90 Cb 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 2oqp n HIS 90 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2oqp n ARG 91 N 0.00 0.00 -3.74 1.57 5.12 -1.26 -4.48 116.66 113.87 2oqp n ARG 91 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2oqp n ARG 91 Cb 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.17 2oqp n ARG 91 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2oqp s LEU 92 N 0.00 0.56 -0.58 0.55 0.05 -1.26 -5.05 118.68 112.95 2oqp s LEU 92 Ca 0.00 0.45 0.04 0.00 0.05 0.00 0.00 54.13 54.67 2oqp s LEU 92 Cb 0.00 0.63 0.38 0.00 -2.05 0.00 0.00 46.19 45.15 2oqp s LEU 92 CO 0.00 -0.15 1.21 0.35 -0.55 0.00 0.00 176.35 177.21 2oqp n THR 93 N 4.13 3.03 -1.58 5.48 -2.24 -1.26 -4.74 114.28 117.10 2oqp n THR 93 Ca -0.25 -5.17 -0.32 0.00 -2.27 0.00 0.00 64.05 56.05 2oqp n THR 93 Cb 0.53 -1.33 0.06 0.00 -2.10 0.00 0.00 70.33 67.49 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oqp n PRO 95 N -2.92 0.00 0.00 0.00 -0.04 -1.26 -4.74 135.00 126.04 2oqp n PRO 95 Ca 0.09 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2oqp n PRO 95 Cb 0.53 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2oqp n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2oqp n SER 96 N -1.70 0.00 -4.41 3.54 7.64 -1.26 -4.94 113.62 112.50 2oqp n SER 96 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 2oqp n SER 96 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 6.26 0.00 -3.23 0.00 -0.08 -1.26 -4.97 116.55 113.27 2oqp n ASP 98 Ca 0.09 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.13 2oqp n ASP 98 Cb 0.46 0.27 -0.02 0.00 2.34 0.00 0.00 41.12 44.17 2oqp n ASP 98 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2oqp n SER 99 N -2.09 4.21 -0.88 1.67 2.88 -1.26 -4.69 113.62 113.46 2oqp n SER 99 Ca 0.00 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 2oqp n SER 99 Cb 0.00 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 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 4.78 -0.64 -5.12 0.66 4.02 -1.26 -5.00 117.16 114.60 2oqp n TYR 100 Ca 0.42 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 58.03 2oqp n TYR 100 Cb 0.16 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.33 2oqp n TYR 100 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2oqp s GLU 101 N -1.64 1.85 0.80 -0.72 2.12 -1.26 -5.07 118.70 114.78 2oqp s GLU 101 Ca 0.00 -0.81 -0.13 0.00 0.36 0.00 0.00 54.97 54.39 2oqp s GLU 101 Cb 0.00 -1.78 0.20 0.00 0.26 0.00 0.00 34.13 32.82 2oqp s GLU 101 CO 0.00 0.48 0.46 1.63 -0.54 0.00 0.00 175.26 177.28 2oqp n LYS 102 N 2.55 -3.31 -3.80 4.30 4.01 -1.26 -4.20 118.16 116.45 2oqp n LYS 102 Ca -0.16 -0.77 -0.04 0.00 -0.51 0.00 0.00 58.31 56.83 2oqp n LYS 102 Cb 0.52 -1.04 -0.00 0.00 -0.51 0.00 0.00 35.03 34.00 2oqp n LYS 102 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2oqp s LYS 103 N -3.98 1.40 0.99 1.97 1.02 0.12 -4.80 119.74 116.46 2oqp s LYS 103 Ca 0.35 -0.82 -0.15 0.00 0.02 0.00 0.00 55.97 55.37 2oqp s LYS 103 Cb -0.06 0.44 0.19 0.00 -0.52 0.00 0.00 37.83 37.88 2oqp s LYS 103 CO 0.30 -0.65 1.18 -1.25 -0.92 0.00 0.00 175.35 174.01 2oqp s PRO 104 N -3.00 0.46 -0.05 -1.68 0.04 -1.26 -2.65 135.00 126.85 2oqp s PRO 104 Ca 0.15 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.97 2oqp s PRO 104 Cb -0.03 -1.78 -0.23 0.00 0.04 0.00 0.00 34.50 32.50 2oqp s PRO 104 CO 0.04 -2.61 1.05 -1.00 0.04 0.00 0.00 177.00 174.53 2oqp h PRO 105 N -1.79 0.13 -0.80 0.56 0.13 -1.88 0.27 132.00 128.62 2oqp h PRO 105 Ca -0.48 -0.13 0.17 0.00 -0.87 0.00 0.00 66.00 64.70 2oqp h PRO 105 Cb 1.30 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 2oqp h PRO 105 CO 0.50 0.85 0.31 1.57 -0.23 0.00 0.00 178.00 181.00 2oqp h LYS 106 N -0.54 0.39 0.01 0.86 2.10 -1.97 0.52 116.57 117.95 2oqp h LYS 106 Ca -0.02 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2oqp h LYS 106 Cb 0.90 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2oqp h LYS 106 CO 0.03 0.26 -0.00 0.93 -2.00 0.00 0.00 179.45 178.67 2oqp h GLU 107 N 0.40 -0.01 -1.05 0.07 5.08 -1.95 -1.03 114.58 116.10 2oqp h GLU 107 Ca 0.46 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 59.10 2oqp h GLU 107 Cb 0.78 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 2oqp h GLU 107 CO -0.47 0.79 0.68 0.35 -1.00 0.00 0.00 179.01 179.37 2oqp h PHE 108 N -0.85 0.57 0.00 4.33 3.57 0.36 1.22 116.94 126.15 2oqp h PHE 108 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2oqp h PHE 108 Cb 0.81 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2oqp h PHE 108 CO 0.21 0.05 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.22 2oqp h LEU 109 N 0.34 0.00 -2.00 0.59 -0.00 -0.03 -0.40 115.31 113.82 2oqp h LEU 109 Ca 0.59 -0.74 0.14 0.00 -0.00 0.00 0.00 57.88 57.87 2oqp h LEU 109 Cb 1.58 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.22 2oqp h LEU 109 CO -0.26 0.90 0.36 -0.08 -0.00 0.00 0.00 178.44 179.36 2oqp h GLU 110 N -1.00 0.00 0.00 1.13 4.81 0.18 0.97 114.58 120.66 2oqp h GLU 110 Ca -0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2oqp h GLU 110 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2oqp h GLU 110 CO -0.01 0.00 -0.34 -0.09 -0.73 0.00 0.00 179.01 177.85 2oqp h ARG 111 N 0.00 0.00 0.26 1.92 9.65 0.14 -3.21 114.38 123.14 2oqp h ARG 111 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2oqp h ARG 111 Cb 0.94 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.48 2oqp h ARG 111 CO -0.00 0.97 -0.52 0.35 2.80 0.00 0.00 179.97 183.57 2oqp h PHE 112 N -1.00 -1.47 -0.62 2.20 3.57 -0.28 0.92 116.94 120.26 2oqp h PHE 112 Ca -0.09 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.54 2oqp h PHE 112 Cb 1.05 0.61 -0.12 0.00 2.79 0.00 0.00 35.95 40.29 2oqp h PHE 112 CO 0.22 -0.62 -0.37 -0.22 -2.23 0.00 0.00 178.31 175.10 2oqp h LYS 113 N -0.84 -0.16 0.28 1.11 3.64 -1.02 1.51 116.57 121.08 2oqp h LYS 113 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2oqp h LYS 113 Cb 0.79 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2oqp h LYS 113 CO -0.20 -0.11 -0.16 0.77 -2.27 0.00 0.00 179.45 177.48 2oqp h SER 114 N -0.17 -0.41 -1.15 4.20 0.02 -1.43 1.54 113.55 116.16 2oqp h SER 114 Ca 0.23 0.02 0.38 0.00 -0.84 0.00 0.00 61.79 61.57 2oqp h SER 114 Cb 0.56 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.08 2oqp h SER 114 CO -0.71 -0.25 0.71 0.25 -1.14 0.00 0.00 176.83 175.68 2oqp h LEU 115 N -0.41 0.36 -0.05 5.07 5.85 0.14 2.54 115.31 128.82 2oqp h LEU 115 Ca -0.04 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2oqp h LEU 115 Cb 0.33 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2oqp h LEU 115 CO 0.04 -0.16 -0.13 0.25 -0.34 0.00 0.00 178.44 178.10 2oqp h LEU 116 N 0.19 0.20 0.00 2.25 7.12 0.27 -1.49 115.31 123.84 2oqp h LEU 116 Ca 0.77 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2oqp h LEU 116 Cb 2.12 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 42.19 2oqp h LEU 116 CO -0.50 0.77 0.00 0.00 -0.13 0.00 0.00 178.44 178.58 2oqp n GLN 117 N -4.63 0.85 -0.09 1.25 -0.00 0.52 -1.95 117.38 113.33 2oqp n GLN 117 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.79 2oqp n GLN 117 Cb 0.38 -1.44 -0.05 0.00 -0.00 0.00 0.00 30.24 29.13 2oqp n GLN 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2oqp n LYS 118 N -0.94 0.52 0.00 2.61 4.81 0.78 -4.19 118.16 121.75 2oqp n LYS 118 Ca 0.18 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2oqp n LYS 118 Cb 0.08 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.58 2oqp n LYS 118 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2oqp n MET 119 N -4.47 0.00 -0.50 1.64 1.56 -0.58 -2.03 117.12 112.74 2oqp n MET 119 Ca -0.21 0.30 0.41 0.00 -0.27 0.00 0.00 57.70 57.92 2oqp n MET 119 Cb 0.53 -0.78 0.69 0.00 2.15 0.00 0.00 33.22 35.81 2oqp n MET 119 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2oqp h ILE 120 N 0.00 0.08 0.00 1.12 5.03 -1.58 1.28 117.51 123.44 2oqp h ILE 120 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 2oqp h ILE 120 Cb 0.00 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 33.82 2oqp h ILE 120 CO 0.00 0.01 0.00 1.57 -0.68 0.00 0.00 178.15 179.05 2oqp n HIS 121 N -4.56 0.00 -0.28 1.37 -0.00 -1.06 -3.40 115.22 107.30 2oqp n HIS 121 Ca 0.39 0.00 0.31 0.00 0.46 0.00 0.00 57.72 58.88 2oqp n HIS 121 Cb 1.57 -0.48 0.69 0.00 -0.12 0.00 0.00 29.99 31.65 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 2oqp h GLN 122 N 0.00 0.08 -0.79 1.57 3.07 -0.41 0.88 115.11 119.51 2oqp h GLN 122 Ca 0.00 -0.00 0.18 0.00 0.09 0.00 0.00 58.65 58.91 2oqp h GLN 122 Cb 0.00 -0.02 -0.14 0.00 0.08 0.00 0.00 27.48 27.40 2oqp h GLN 122 CO 0.00 0.05 -0.08 1.25 0.09 0.00 0.00 178.83 180.15 2oqp h HIS 123 N 0.09 -0.20 0.20 0.06 2.76 0.15 -0.16 115.15 118.05 2oqp h HIS 123 Ca 0.53 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.76 2oqp h HIS 123 Cb 1.95 0.21 0.00 0.00 1.55 0.00 0.00 27.41 31.13 2oqp h HIS 123 CO -0.00 -0.30 -0.10 1.25 -1.30 0.00 0.00 177.93 177.48 2oqp h LEU 124 N 0.05 -0.23 -7.22 0.26 7.12 -0.89 -3.43 115.31 110.98 2oqp h LEU 124 Ca 0.42 -0.30 -0.52 0.00 0.13 0.00 0.00 57.88 57.61 2oqp h LEU 124 Cb 0.72 0.06 -0.40 0.00 -0.53 0.00 0.00 40.66 40.51 2oqp h LEU 124 CO -0.75 0.25 -0.76 -0.55 -0.13 0.00 0.00 178.44 176.49 2oqp s SER 125 N -5.34 3.01 0.35 1.25 0.15 -0.24 -5.14 113.70 107.75 2oqp s SER 125 Ca -0.14 -0.91 0.06 0.00 0.70 0.00 0.00 55.95 55.66 2oqp s SER 125 Cb 0.01 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.73 2oqp s SER 125 CO 0.52 -0.33 0.50 -0.55 1.20 0.00 0.00 173.24 174.59 2oqp s SER 126 N 1.87 5.92 -0.38 5.45 0.15 -0.24 -4.09 113.70 122.38 2oqp s SER 126 Ca 0.01 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.55 2oqp s SER 126 Cb -0.17 -1.19 0.18 0.00 -1.71 0.00 0.00 66.02 63.14 2oqp s SER 126 CO -0.11 -0.49 0.65 -0.60 1.20 0.00 0.00 173.24 173.89 2oqp s ARG 127 N -4.23 0.72 0.61 5.44 3.52 -1.26 -5.10 118.95 118.65 2oqp s ARG 127 Ca 0.46 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 2oqp s ARG 127 Cb -0.10 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 2oqp s ARG 127 CO 0.32 -1.10 0.00 0.25 -0.81 0.00 0.00 175.30 173.96 2oqp n THR 128 N 4.58 0.00 -2.13 4.11 -2.24 -1.26 -4.97 114.28 112.37 2oqp n THR 128 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2oqp n THR 128 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2oqp n THR 128 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2oqp n HIS 129 N -0.25 -4.71 0.00 4.78 8.25 -1.26 -5.06 115.22 116.97 2oqp n HIS 129 Ca 0.00 2.82 0.00 0.00 -0.26 0.00 0.00 57.72 60.28 2oqp n HIS 129 Cb 0.00 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 27.42 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oqp n GLY 130 N 1.79 0.52 3.28 -1.41 0.00 -1.26 -5.16 105.19 102.94 2oqp n GLY 130 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2oqp n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oqp s SER 131 N 0.00 -1.11 -0.32 1.61 1.04 -1.26 -5.09 113.70 108.57 2oqp s SER 131 Ca 0.00 0.92 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 2oqp s SER 131 Cb 0.00 2.02 0.22 0.00 0.10 0.00 0.00 66.02 68.36 2oqp s SER 131 CO 0.00 -0.21 1.14 -0.70 0.98 0.00 0.00 173.24 174.45 2oqp s GLU 132 N 2.84 0.12 0.00 4.02 2.12 -1.26 -5.17 118.70 121.38 2oqp s GLU 132 Ca 0.09 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2oqp s GLU 132 Cb -0.13 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.26 2oqp s GLU 132 CO -0.19 -0.14 0.00 -3.47 -0.54 0.00 0.00 175.26 170.92 2oqp n ASP 133 N 2.59 0.00 0.00 -1.70 2.03 -1.26 -4.99 116.55 113.21 2oqp n ASP 133 Ca 0.11 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.48 2oqp n ASP 133 Cb 0.66 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.45 2oqp n ASP 133 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08