#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 -1.80 -2.72 3.17 0.00 -1.26 -5.03 117.38 109.74 2oqp n GLN 2 Ca 0.00 1.77 -0.04 0.00 -0.00 0.00 0.00 57.00 58.73 2oqp n GLN 2 Cb 0.00 -5.54 0.03 0.00 0.00 0.00 0.00 30.24 24.72 2oqp n GLN 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2oqp n GLY 3 N -0.98 -1.04 2.40 1.69 0.00 -1.26 -5.08 105.19 100.92 2oqp n GLY 3 Ca 0.06 0.80 -0.27 0.00 0.00 0.00 0.00 46.02 46.61 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 2.63 0.37 -3.86 1.61 3.00 -1.26 -4.92 117.38 114.93 2oqp n GLN 4 Ca 0.14 -3.27 -0.35 0.00 -0.01 0.00 0.00 57.00 53.50 2oqp n GLN 4 Cb 0.61 -1.66 -0.05 0.00 0.00 0.00 0.00 30.24 29.13 2oqp n GLN 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2oqp s ASP 5 N -0.20 6.41 0.59 1.08 1.01 -1.26 -4.93 116.67 119.37 2oqp s ASP 5 Ca 0.33 0.45 0.30 0.00 0.71 0.00 0.00 52.55 54.34 2oqp s ASP 5 Cb 0.05 -2.05 1.22 0.00 1.01 0.00 0.00 42.92 43.15 2oqp s ASP 5 CO -0.19 0.34 1.56 -0.09 0.21 0.00 0.00 175.17 177.00 2oqp h ARG 6 N 4.44 0.00 0.01 8.23 2.43 -1.99 0.54 114.38 128.03 2oqp h ARG 6 Ca -0.52 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.43 2oqp h ARG 6 Cb 1.21 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2oqp h ARG 6 CO 0.63 0.00 -1.20 0.45 -1.51 0.00 0.00 179.97 178.34 2oqp h HIS 7 N 0.00 0.04 -1.00 2.20 3.86 -1.98 -2.99 115.15 115.28 2oqp h HIS 7 Ca 0.44 -0.03 0.20 0.00 -1.16 0.00 0.00 60.37 59.82 2oqp h HIS 7 Cb 2.37 -0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.73 2oqp h HIS 7 CO 0.00 1.47 0.61 1.98 0.86 0.00 0.00 177.93 182.85 2oqp h MET 8 N -0.92 0.70 0.01 2.45 4.05 -0.48 0.45 114.93 121.19 2oqp h MET 8 Ca -0.32 -0.04 -0.19 0.00 -0.28 0.00 0.00 59.70 58.87 2oqp h MET 8 Cb 1.33 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 2oqp h MET 8 CO -0.17 0.46 -0.87 -0.84 0.23 0.00 0.00 176.91 175.72 2oqp h ILE 9 N 0.72 1.57 -0.70 1.77 -0.00 -0.81 0.39 117.51 120.45 2oqp h ILE 9 Ca 0.58 -2.84 0.03 0.00 -0.00 0.00 0.00 64.86 62.64 2oqp h ILE 9 Cb 0.97 2.56 -0.04 0.00 -0.00 0.00 0.00 36.82 40.30 2oqp h ILE 9 CO -0.38 0.82 0.46 -0.09 -0.00 0.00 0.00 178.15 178.96 2oqp h ARG 10 N 0.03 0.82 0.03 0.16 1.12 0.01 0.19 114.38 116.75 2oqp h ARG 10 Ca -0.02 -0.05 -0.37 0.00 -1.11 0.00 0.00 59.98 58.43 2oqp h ARG 10 Cb 1.52 -0.19 -0.05 0.00 -0.01 0.00 0.00 29.97 31.25 2oqp h ARG 10 CO 0.12 0.54 -2.12 0.00 -3.11 0.00 0.00 179.97 175.40 2oqp n MET 11 N -4.46 0.64 0.06 0.20 0.00 -0.50 -4.23 117.12 108.85 2oqp n MET 11 Ca 0.09 0.30 -0.11 0.00 0.00 0.00 0.00 57.70 57.97 2oqp n MET 11 Cb 0.12 -1.61 -0.05 0.00 0.00 0.00 0.00 33.22 31.69 2oqp n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2oqp h ARG 12 N -0.48 -0.36 -1.02 3.17 3.08 -0.18 -0.68 114.38 117.92 2oqp h ARG 12 Ca -0.53 0.02 0.33 0.00 0.07 0.00 0.00 59.98 59.88 2oqp h ARG 12 Cb 1.72 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 31.71 2oqp h ARG 12 CO -0.17 -0.24 0.59 1.96 -1.07 0.00 0.00 179.97 181.04 2oqp h GLN 13 N -0.37 0.28 0.23 0.04 1.08 -0.81 1.24 115.11 116.81 2oqp h GLN 13 Ca 0.06 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2oqp h GLN 13 Cb 0.44 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2oqp h GLN 13 CO -0.20 0.19 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.69 2oqp h LEU 14 N 0.29 -0.26 -0.97 1.46 3.38 -1.36 0.69 115.31 118.55 2oqp h LEU 14 Ca 0.74 0.01 0.27 0.00 0.09 0.00 0.00 57.88 59.00 2oqp h LEU 14 Cb 1.76 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 42.44 2oqp h LEU 14 CO -0.59 -0.10 0.49 0.40 0.09 0.00 0.00 178.44 178.73 2oqp h ILE 15 N -0.48 0.38 -0.22 1.22 5.03 0.05 0.69 117.51 124.18 2oqp h ILE 15 Ca -0.03 -0.13 -0.07 0.00 -0.12 0.00 0.00 64.86 64.51 2oqp h ILE 15 Cb 0.24 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 33.99 2oqp h ILE 15 CO 0.05 0.07 -0.13 -0.78 -0.68 0.00 0.00 178.15 176.68 2oqp h ASP 16 N 0.38 0.49 -0.86 1.72 3.58 0.15 -1.17 116.42 120.71 2oqp h ASP 16 Ca 0.66 -0.43 0.13 0.00 0.42 0.00 0.00 57.03 57.81 2oqp h ASP 16 Cb 1.38 -0.14 -0.09 0.00 1.72 0.00 0.00 39.33 42.21 2oqp h ASP 16 CO -0.57 0.81 0.47 0.40 -2.88 0.00 0.00 179.24 177.47 2oqp h ILE 17 N 0.17 0.79 0.51 2.25 2.04 0.62 0.32 117.51 124.21 2oqp h ILE 17 Ca 0.05 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2oqp h ILE 17 Cb 0.64 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2oqp h ILE 17 CO 0.04 0.13 -0.24 0.58 0.00 0.00 0.00 178.15 178.65 2oqp h VAL 18 N 0.70 0.39 -0.20 1.67 2.07 -0.42 -0.68 116.25 119.78 2oqp h VAL 18 Ca 0.45 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.65 2oqp h VAL 18 Cb 0.57 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2oqp h VAL 18 CO -0.32 0.05 0.43 -0.78 0.02 0.00 0.00 177.57 176.96 2oqp h ASP 19 N -0.95 0.00 0.02 0.57 3.58 -0.43 0.90 116.42 120.11 2oqp h ASP 19 Ca -0.07 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 2oqp h ASP 19 Cb 0.61 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.66 2oqp h ASP 19 CO 0.11 0.00 -0.21 -0.61 -2.88 0.00 0.00 179.24 175.65 2oqp h GLN 20 N 0.00 0.10 -0.32 0.28 5.75 0.19 -2.56 115.11 118.55 2oqp h GLN 20 Ca 0.10 -0.14 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 2oqp h GLN 20 Cb 0.95 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 2oqp h GLN 20 CO -0.00 0.99 -0.24 1.37 -2.65 0.00 0.00 178.83 178.29 2oqp h LEU 21 N -0.71 0.78 -2.14 -2.39 8.10 0.88 -2.58 115.31 117.25 2oqp h LEU 21 Ca -0.03 -0.44 -0.00 0.00 0.11 0.00 0.00 57.88 57.51 2oqp h LEU 21 Cb 1.08 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 41.08 2oqp h LEU 21 CO 0.04 1.05 -0.00 0.11 -4.11 0.00 0.00 178.44 175.53 2oqp h LYS 22 N 0.51 0.00 0.00 0.17 1.57 0.53 0.26 116.57 119.61 2oqp h LYS 22 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2oqp h LYS 22 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2oqp h LYS 22 CO 0.06 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 177.24 2oqp n ASN 23 N -4.34 0.53 -1.58 0.86 2.85 -0.96 -1.06 115.26 111.56 2oqp n ASN 23 Ca -0.03 0.73 -0.08 0.00 -0.11 0.00 0.00 54.58 55.09 2oqp n ASN 23 Cb 0.09 -0.81 0.09 0.00 1.24 0.00 0.00 39.78 40.39 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2oqp n TYR 24 N -2.20 1.37 -0.30 1.20 4.01 0.91 -4.80 117.16 117.36 2oqp n TYR 24 Ca -0.01 -1.80 0.25 0.00 -0.16 0.00 0.00 57.90 56.18 2oqp n TYR 24 Cb 0.06 -0.28 0.57 0.00 -0.31 0.00 0.00 39.34 39.39 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 2.63 0.52 0.00 -0.72 2.07 -1.06 1.57 116.25 121.25 2oqp h VAL 25 Ca 0.13 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2oqp h VAL 25 Cb 1.36 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2oqp h VAL 25 CO 0.37 0.05 0.24 -1.13 0.02 0.00 0.00 177.57 177.12 2oqp h ASN 26 N 0.28 0.00 -1.06 0.57 -1.24 -1.87 0.36 115.58 112.62 2oqp h ASN 26 Ca 0.56 0.00 -0.60 0.00 0.71 0.00 0.00 56.30 56.97 2oqp h ASN 26 Cb 1.63 0.00 -0.39 0.00 0.73 0.00 0.00 38.32 40.29 2oqp h ASN 26 CO -0.20 0.00 -0.35 0.47 -1.29 0.00 0.00 177.43 176.06 2oqp n ASP 27 N -2.79 5.58 -4.07 1.15 9.92 0.53 -4.83 116.55 122.04 2oqp n ASP 27 Ca -0.02 -3.76 -0.31 0.00 -0.53 0.00 0.00 54.79 50.17 2oqp n ASP 27 Cb 0.29 -0.54 -0.16 0.00 -0.64 0.00 0.00 41.12 40.07 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 -3.66 1.85 -0.27 0.64 1.43 0.13 -1.93 118.68 116.87 2oqp s LEU 28 Ca 0.53 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 2oqp s LEU 28 Cb 0.43 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 45.39 2oqp s LEU 28 CO -0.06 -0.01 1.03 0.54 0.23 0.00 0.00 176.35 178.08 2oqp s VAL 29 N 1.26 4.63 -0.35 -1.59 0.11 -0.58 -4.55 120.40 119.32 2oqp s VAL 29 Ca 0.01 1.85 -0.29 0.00 -2.93 0.00 0.00 61.98 60.63 2oqp s VAL 29 Cb -0.14 -4.33 0.00 0.00 -1.53 0.00 0.00 36.38 30.38 2oqp s VAL 29 CO -0.08 -0.29 1.38 -2.16 -3.33 0.00 0.00 175.10 170.61 2oqp s PRO 30 N 3.35 3.74 0.10 1.54 0.04 -1.26 -4.70 135.00 137.80 2oqp s PRO 30 Ca 0.44 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 2oqp s PRO 30 Cb -0.14 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2oqp s PRO 30 CO 0.10 -1.36 0.08 -1.83 0.04 0.00 0.00 177.00 174.03 2oqp s GLU 31 N 4.59 0.83 -0.76 4.56 -1.05 -1.26 -5.01 118.70 120.59 2oqp s GLU 31 Ca 0.60 -1.24 -0.26 0.00 -0.15 0.00 0.00 54.97 53.92 2oqp s GLU 31 Cb -0.16 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 2oqp s GLU 31 CO 0.28 -0.23 2.15 -0.06 0.95 0.00 0.00 175.26 178.36 2oqp s PHE 32 N -3.96 1.46 -0.12 4.83 0.08 -1.26 -4.44 117.98 114.56 2oqp s PHE 32 Ca 0.14 1.24 -0.03 0.00 0.12 0.00 0.00 56.93 58.39 2oqp s PHE 32 Cb 0.07 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.70 2oqp s PHE 32 CO -0.05 -1.90 -0.00 -0.51 -0.10 0.00 0.00 175.22 172.66 2oqp s LEU 33 N 11.76 3.51 -0.20 -0.37 1.02 -0.68 -4.82 118.68 128.90 2oqp s LEU 33 Ca 0.81 0.05 -0.29 0.00 0.02 0.00 0.00 54.13 54.72 2oqp s LEU 33 Cb -0.11 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 2oqp s LEU 33 CO 0.10 0.29 1.30 -2.16 0.02 0.00 0.00 176.35 175.89 2oqp s PRO 34 N -0.36 4.14 -0.05 1.29 0.04 -1.26 -0.37 135.00 138.43 2oqp s PRO 34 Ca 0.07 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2oqp s PRO 34 Cb -0.12 -3.81 0.03 0.00 0.04 0.00 0.00 34.50 30.64 2oqp s PRO 34 CO 0.02 -0.83 0.02 0.00 0.04 0.00 0.00 177.00 176.24 2oqp s ALA 35 N 3.79 0.42 -0.11 8.56 0.00 -1.26 -4.39 121.76 128.78 2oqp s ALA 35 Ca 0.56 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2oqp s ALA 35 Cb -0.21 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2oqp s ALA 35 CO 0.18 -0.30 1.25 -1.25 0.00 0.00 0.00 175.76 175.63 2oqp s PRO 36 N 1.63 4.28 -0.33 0.00 0.04 -1.26 -4.73 135.00 134.63 2oqp s PRO 36 Ca -0.01 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 2oqp s PRO 36 Cb -0.13 -3.67 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 2oqp s PRO 36 CO -0.03 -0.59 0.22 -1.83 0.04 0.00 0.00 177.00 174.81 2oqp s GLU 37 N 2.90 3.44 -0.19 4.56 -1.05 -1.26 -4.76 118.70 122.35 2oqp s GLU 37 Ca 0.56 -0.67 -0.13 0.00 -0.15 0.00 0.00 54.97 54.58 2oqp s GLU 37 Cb -0.24 -3.75 0.05 0.00 -0.44 0.00 0.00 34.13 29.75 2oqp s GLU 37 CO 0.19 -0.44 0.26 -3.47 0.95 0.00 0.00 175.26 172.74 2oqp n ASP 38 N 5.08 -0.21 -4.54 0.83 -0.08 -1.26 -5.03 116.55 111.34 2oqp n ASP 38 Ca -0.13 1.34 -0.30 0.00 -1.51 0.00 0.00 54.79 54.19 2oqp n ASP 38 Cb 0.49 -5.24 -0.11 0.00 2.34 0.00 0.00 41.12 38.60 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 -0.66 3.19 0.84 5.18 -7.23 -1.26 -5.08 120.40 115.39 2oqp s VAL 39 Ca -0.29 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 58.49 2oqp s VAL 39 Cb 0.02 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.56 2oqp s VAL 39 CO 0.80 0.18 0.83 1.21 -0.31 0.00 0.00 175.10 177.80 2oqp n GLU 40 N 0.95 0.00 -0.32 4.82 2.13 -1.26 -4.50 120.64 122.46 2oqp n GLU 40 Ca -0.15 0.07 0.14 0.00 0.66 0.00 0.00 57.16 57.88 2oqp n GLU 40 Cb 0.52 -2.14 0.33 0.00 0.27 0.00 0.00 31.44 30.42 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 -1.09 0.50 -1.04 6.31 2.02 -2.03 0.46 112.91 118.05 2oqp h THR 41 Ca -0.45 -0.16 -0.65 0.00 0.77 0.00 0.00 66.41 65.92 2oqp h THR 41 Cb 1.30 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 67.38 2oqp h THR 41 CO 0.41 0.08 0.38 0.59 0.37 0.00 0.00 175.52 177.35 2oqp n ASN 42 N -5.00 6.84 0.00 4.18 4.13 -1.26 -4.29 115.26 119.86 2oqp n ASN 42 Ca 0.23 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.71 2oqp n ASN 42 Cb 0.67 -0.80 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 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 -2.07 -0.01 0.04 0.00 1.02 -0.68 0.18 120.64 119.11 2oqp n GLU 44 Ca 0.00 0.95 -0.05 0.00 -0.02 0.00 0.00 57.16 58.04 2oqp n GLU 44 Cb 0.25 -2.13 -0.03 0.00 -0.02 0.00 0.00 31.44 29.50 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 -0.19 -0.05 -0.32 4.06 -1.86 -2.10 115.95 115.49 2oqp h TRP 45 Ca 0.79 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.75 2oqp h TRP 45 Cb 3.07 0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 31.29 2oqp h TRP 45 CO -0.00 0.01 0.34 0.66 -3.56 0.00 0.00 178.44 175.89 2oqp h SER 46 N -1.03 0.00 1.13 -3.49 4.64 0.17 1.56 113.55 116.53 2oqp h SER 46 Ca -0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 2oqp h SER 46 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2oqp h SER 46 CO 0.03 0.00 -0.91 0.00 -0.87 0.00 0.00 176.83 175.08 2oqp h ALA 47 N 1.38 0.65 -0.35 5.18 0.00 0.21 -3.31 119.26 123.02 2oqp h ALA 47 Ca 0.02 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.68 2oqp h ALA 47 Cb 0.70 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2oqp h ALA 47 CO -0.00 0.41 0.48 0.35 0.00 0.00 0.00 179.25 180.49 2oqp h PHE 48 N 0.00 0.00 0.05 0.00 3.04 0.30 0.78 116.94 121.12 2oqp h PHE 48 Ca -0.05 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.66 2oqp h PHE 48 Cb 1.26 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 2oqp h PHE 48 CO 0.00 0.00 -1.05 1.03 -2.02 0.00 0.00 178.31 176.27 2oqp h SER 49 N 0.00 0.28 -0.38 0.41 0.87 -1.65 -3.19 113.55 109.89 2oqp h SER 49 Ca 0.17 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.53 2oqp h SER 49 Cb 1.13 -0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.92 2oqp h SER 49 CO -0.00 1.16 -0.15 0.00 -0.53 0.00 0.00 176.83 177.30 2oqp h PHE 51 N -0.08 0.12 -0.13 0.00 0.04 -1.59 -0.86 116.94 114.45 2oqp h PHE 51 Ca 0.19 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.00 2oqp h PHE 51 Cb 0.37 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2oqp h PHE 51 CO -0.39 0.14 0.10 0.37 -0.60 0.00 0.00 178.31 177.93 2oqp h GLN 52 N 0.13 0.00 0.12 1.51 4.15 -0.31 -0.56 115.11 120.15 2oqp h GLN 52 Ca 0.03 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.15 2oqp h GLN 52 Cb 0.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2oqp h GLN 52 CO 0.00 0.00 -1.53 0.87 -1.93 0.00 0.00 178.83 176.24 2oqp h LYS 53 N 0.00 0.26 -6.22 1.69 1.79 -0.76 -3.44 116.57 109.89 2oqp h LYS 53 Ca 0.06 -0.44 -0.57 0.00 -2.18 0.00 0.00 60.65 57.52 2oqp h LYS 53 Cb 0.27 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2oqp h LYS 53 CO -0.00 1.13 1.27 0.00 -1.08 0.00 0.00 179.45 180.76 2oqp s ALA 54 N -2.62 3.09 -0.20 3.86 0.00 -0.22 -4.95 121.76 120.72 2oqp s ALA 54 Ca -0.09 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 2oqp s ALA 54 Cb 0.07 -3.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 2oqp s ALA 54 CO 0.85 -2.26 0.16 -1.14 0.00 0.00 0.00 175.76 173.37 2oqp s GLN 55 N 5.28 4.17 -0.07 0.00 0.74 -1.26 -4.92 119.66 123.60 2oqp s GLN 55 Ca 0.83 -0.18 -0.16 0.00 0.05 0.00 0.00 55.36 55.90 2oqp s GLN 55 Cb -0.29 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.32 2oqp s GLN 55 CO 0.33 0.23 0.42 -1.17 -0.55 0.00 0.00 175.29 174.55 2oqp s LEU 56 N 0.55 4.37 -0.00 3.68 1.98 -1.26 -5.02 118.68 122.98 2oqp s LEU 56 Ca 0.09 0.84 0.00 0.00 -2.89 0.00 0.00 54.13 52.18 2oqp s LEU 56 Cb -0.12 -2.60 -0.00 0.00 0.66 0.00 0.00 46.19 44.13 2oqp s LEU 56 CO 0.00 0.17 -0.02 -0.75 -1.89 0.00 0.00 176.35 173.87 2oqp s LYS 57 N -0.21 0.13 0.75 1.98 2.36 -1.26 -4.87 119.74 118.62 2oqp s LYS 57 Ca 0.23 -0.07 -0.11 0.00 -2.55 0.00 0.00 55.97 53.48 2oqp s LYS 57 Cb -0.16 -0.12 0.04 0.00 -1.05 0.00 0.00 37.83 36.55 2oqp s LYS 57 CO 0.11 0.03 1.08 0.45 1.55 0.00 0.00 175.35 178.57 2oqp s SER 58 N -0.06 4.81 -0.07 1.43 0.15 -1.26 -1.53 113.70 117.16 2oqp s SER 58 Ca 0.00 1.60 -0.04 0.00 0.70 0.00 0.00 55.95 58.22 2oqp s SER 58 Cb -0.01 -2.39 -0.14 0.00 -1.71 0.00 0.00 66.02 61.77 2oqp s SER 58 CO -0.00 -1.81 3.08 0.00 1.20 0.00 0.00 173.24 175.71 2oqp n ALA 59 N -3.36 5.80 -2.52 5.45 0.00 -0.81 -4.19 120.51 120.88 2oqp n ALA 59 Ca 0.08 -1.57 -0.03 0.00 0.00 0.00 0.00 53.44 51.92 2oqp n ALA 59 Cb 0.54 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 1.97 -0.99 0.10 0.00 3.02 -1.26 -4.69 115.26 113.39 2oqp n ASN 60 Ca 0.34 0.33 -0.05 0.00 -0.03 0.00 0.00 54.58 55.16 2oqp n ASN 60 Cb 0.76 -0.97 0.07 0.00 -0.61 0.00 0.00 39.78 39.03 2oqp n ASN 60 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2oqp h THR 61 N -0.07 1.46 0.00 3.41 1.35 -1.90 -3.47 112.91 113.70 2oqp h THR 61 Ca -0.05 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 2oqp h THR 61 Cb 0.96 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2oqp h THR 61 CO 0.07 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 2oqp n GLY 62 N 0.53 1.67 0.00 5.82 0.00 -1.26 -4.79 105.19 107.16 2oqp n GLY 62 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 2.46 0.00 -2.43 1.61 4.13 -1.26 -2.12 115.26 117.65 2oqp n ASN 63 Ca 0.00 0.81 -0.31 0.00 1.68 0.00 0.00 54.58 56.76 2oqp n ASN 63 Cb 0.00 -0.31 0.04 0.00 -1.54 0.00 0.00 39.78 37.96 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 -2.24 6.22 -0.07 6.41 4.13 -1.26 -4.66 115.26 123.78 2oqp n ASN 64 Ca 0.00 -3.77 -0.12 0.00 1.68 0.00 0.00 54.58 52.37 2oqp n ASN 64 Cb 0.00 -0.71 -0.09 0.00 -1.54 0.00 0.00 39.78 37.44 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 2.44 0.00 -0.50 3.52 4.81 -1.77 -3.14 114.58 119.93 2oqp h GLU 65 Ca 0.46 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.57 2oqp h GLU 65 Cb 0.83 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2oqp h GLU 65 CO 1.16 0.71 -0.17 -0.09 -0.73 0.00 0.00 179.01 179.89 2oqp h ARG 66 N -1.00 1.00 0.00 1.92 9.65 -1.83 -1.69 114.38 122.43 2oqp h ARG 66 Ca -0.07 -0.40 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2oqp h ARG 66 Cb 0.81 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 2oqp h ARG 66 CO -0.04 1.08 0.00 1.51 2.80 0.00 0.00 179.97 185.32 2oqp n ILE 67 N -4.12 1.13 -0.04 1.20 0.13 -1.26 -1.93 119.36 114.46 2oqp n ILE 67 Ca 0.01 0.43 -0.21 0.00 -1.10 0.00 0.00 62.75 61.88 2oqp n ILE 67 Cb 0.43 -1.36 -0.13 0.00 -0.84 0.00 0.00 39.64 37.74 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 0.99 -0.89 9.51 5.03 -1.27 -3.34 117.51 127.53 2oqp h ILE 68 Ca 0.00 -2.30 0.19 0.00 -0.12 0.00 0.00 64.86 62.63 2oqp h ILE 68 Cb 0.17 2.55 -0.07 0.00 -3.03 0.00 0.00 36.82 36.44 2oqp h ILE 68 CO 0.00 0.57 0.59 -1.13 -0.68 0.00 0.00 178.15 177.50 2oqp h ASN 69 N -0.57 0.45 -0.78 1.72 -1.24 -0.80 0.63 115.58 114.98 2oqp h ASN 69 Ca -0.32 0.04 0.15 0.00 0.71 0.00 0.00 56.30 56.89 2oqp h ASN 69 Cb 1.56 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 40.52 2oqp h ASN 69 CO -0.05 0.19 0.52 -0.37 -1.29 0.00 0.00 177.43 176.43 2oqp h VAL 70 N 0.45 0.79 0.08 2.57 -1.51 -1.61 0.14 116.25 117.16 2oqp h VAL 70 Ca 0.46 -0.15 -0.27 0.00 -1.23 0.00 0.00 66.70 65.52 2oqp h VAL 70 Cb 1.09 0.31 0.01 0.00 -2.13 0.00 0.00 31.29 30.58 2oqp h VAL 70 CO -0.18 0.08 -1.14 0.28 -1.23 0.00 0.00 177.57 175.38 2oqp h SER 71 N 0.44 0.65 -0.22 4.19 0.02 0.09 -3.31 113.55 115.42 2oqp h SER 71 Ca 0.38 -0.59 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2oqp h SER 71 Cb 0.86 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 2oqp h SER 71 CO -0.13 1.42 -0.35 0.40 -1.14 0.00 0.00 176.83 177.03 2oqp h ILE 72 N 0.22 0.24 -0.32 3.27 2.04 -0.12 1.43 117.51 124.25 2oqp h ILE 72 Ca -0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2oqp h ILE 72 Cb 1.81 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2oqp h ILE 72 CO 0.20 0.00 -0.27 0.11 0.00 0.00 0.00 178.15 178.20 2oqp h LYS 73 N -0.37 -0.09 0.10 2.37 1.57 -1.47 0.46 116.57 119.14 2oqp h LYS 73 Ca 0.11 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2oqp h LYS 73 Cb 0.56 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2oqp h LYS 73 CO -0.42 -0.06 -0.23 0.87 -0.57 0.00 0.00 179.45 179.04 2oqp h LYS 74 N -0.09 -0.40 -1.53 3.15 1.79 -1.51 0.15 116.57 118.13 2oqp h LYS 74 Ca 0.05 0.03 0.48 0.00 -2.18 0.00 0.00 60.65 59.03 2oqp h LYS 74 Cb 0.23 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 30.87 2oqp h LYS 74 CO -0.35 -0.27 1.04 1.25 -1.08 0.00 0.00 179.45 180.04 2oqp h LEU 75 N -0.41 0.14 -4.14 2.94 5.85 0.33 0.94 115.31 120.96 2oqp h LEU 75 Ca 0.03 0.08 -0.38 0.00 0.84 0.00 0.00 57.88 58.46 2oqp h LEU 75 Cb 0.45 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.42 2oqp h LEU 75 CO -0.14 -0.12 0.23 0.29 -0.34 0.00 0.00 178.44 178.36 2oqp n LYS 76 N -4.41 2.13 -2.13 1.25 5.02 0.15 -4.63 118.16 115.54 2oqp n LYS 76 Ca 0.39 -1.82 -0.30 0.00 -2.02 0.00 0.00 58.31 54.57 2oqp n LYS 76 Cb 1.62 -1.95 0.01 0.00 -0.02 0.00 0.00 35.03 34.69 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2oqp s ARG 77 N -1.15 3.55 0.04 1.97 6.06 0.33 -5.00 118.95 124.75 2oqp s ARG 77 Ca 0.52 0.55 0.01 0.00 -2.50 0.00 0.00 55.73 54.31 2oqp s ARG 77 Cb 0.32 -2.18 -0.04 0.00 0.06 0.00 0.00 34.95 33.12 2oqp s ARG 77 CO -0.12 -0.46 0.08 -1.59 -2.50 0.00 0.00 175.30 170.70 2oqp s LYS 78 N -5.04 2.97 0.83 5.12 0.00 -1.26 -4.85 119.74 117.51 2oqp s LYS 78 Ca 0.53 -0.59 -0.12 0.00 0.00 0.00 0.00 55.97 55.79 2oqp s LYS 78 Cb -0.11 -2.79 0.09 0.00 0.00 0.00 0.00 37.83 35.02 2oqp s LYS 78 CO 0.51 0.61 1.11 -1.25 0.00 0.00 0.00 175.35 176.32 2oqp s PRO 79 N -2.04 1.84 -0.17 1.78 0.04 -1.26 -4.98 135.00 130.21 2oqp s PRO 79 Ca 0.26 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 2oqp s PRO 79 Cb -0.12 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2oqp s PRO 79 CO 0.18 -1.77 1.28 -1.25 0.04 0.00 0.00 177.00 175.48 2oqp s PRO 80 N -5.19 4.21 -0.69 0.56 0.04 -1.26 -3.96 135.00 128.70 2oqp s PRO 80 Ca 0.62 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.22 2oqp s PRO 80 Cb -0.14 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.63 2oqp s PRO 80 CO 0.54 -0.74 0.64 0.43 0.04 0.00 0.00 177.00 177.91 2oqp n SER 81 N 6.71 -6.10 -1.33 6.66 7.64 -1.26 -4.64 113.62 121.30 2oqp n SER 81 Ca 0.14 -0.42 0.01 0.00 1.01 0.00 0.00 58.87 59.61 2oqp n SER 81 Cb 0.45 -3.05 -0.01 0.00 -1.01 0.00 0.00 64.21 60.59 2oqp n SER 81 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2oqp n THR 82 N -1.71 -2.38 -0.13 0.44 -1.04 -1.25 -4.63 114.28 103.58 2oqp n THR 82 Ca -0.15 1.22 -0.08 0.00 -2.04 0.00 0.00 64.05 63.00 2oqp n THR 82 Cb 0.62 -2.02 -0.00 0.00 -1.82 0.00 0.00 70.33 67.11 2oqp n THR 82 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2oqp h ASN 83 N 0.06 0.46 0.00 8.00 -1.07 -1.84 -3.45 115.58 117.75 2oqp h ASN 83 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.33 2oqp h ASN 83 Cb 0.85 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.98 2oqp h ASN 83 CO 0.00 0.35 0.00 0.00 0.07 0.00 0.00 177.43 177.86 2oqp n ALA 84 N -2.21 1.66 -3.99 4.14 0.00 -1.26 -4.04 120.51 114.80 2oqp n ALA 84 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.61 2oqp n ALA 84 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 0.16 0.25 3.48 0.00 0.00 -1.26 -5.06 105.19 102.76 2oqp n GLY 85 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2oqp n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oqp s ARG 86 N -2.02 3.14 0.24 1.61 0.52 -1.26 -4.73 118.95 116.46 2oqp s ARG 86 Ca 0.29 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2oqp s ARG 86 Cb -0.01 -4.21 0.00 0.00 0.52 0.00 0.00 34.95 31.25 2oqp s ARG 86 CO -0.00 -1.88 0.00 0.54 0.02 0.00 0.00 175.30 173.98 2oqp n ARG 87 N 8.10 -4.99 -1.39 3.54 3.00 -1.26 -4.93 116.66 118.72 2oqp n ARG 87 Ca -0.02 3.59 0.18 0.00 -0.01 0.00 0.00 57.85 61.59 2oqp n ARG 87 Cb 0.46 -3.85 -0.06 0.00 0.00 0.00 0.00 32.46 29.02 2oqp n ARG 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2oqp n GLN 88 N 1.33 -2.87 -3.58 5.56 3.00 -1.26 -4.94 117.38 114.62 2oqp n GLN 88 Ca 0.00 2.01 -0.06 0.00 -0.01 0.00 0.00 57.00 58.95 2oqp n GLN 88 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 30.24 26.68 2oqp n GLN 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2oqp s LYS 89 N -2.67 0.41 -0.12 -1.09 0.00 -1.26 -4.51 119.74 110.50 2oqp s LYS 89 Ca 0.00 1.08 -0.19 0.00 0.00 0.00 0.00 55.97 56.86 2oqp s LYS 89 Cb 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 37.83 38.05 2oqp s LYS 89 CO 0.00 -0.31 0.56 1.25 0.00 0.00 0.00 175.35 176.84 2oqp h HIS 90 N 8.12 -0.02 0.00 1.78 -0.00 -1.98 -3.38 115.15 119.67 2oqp h HIS 90 Ca -0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 2oqp h HIS 90 Cb 1.12 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2oqp h HIS 90 CO 0.22 0.61 0.00 0.54 -0.00 0.00 0.00 177.93 179.30 2oqp n ARG 91 N -4.70 0.00 -3.79 5.26 5.12 -1.26 -4.53 116.66 112.76 2oqp n ARG 91 Ca -0.07 0.53 -0.13 0.00 -1.93 0.00 0.00 57.85 56.26 2oqp n ARG 91 Cb 0.31 -0.85 -0.14 0.00 -1.16 0.00 0.00 32.46 30.62 2oqp n ARG 91 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2oqp s LEU 92 N -4.15 1.19 -0.07 0.55 1.02 -1.26 -5.14 118.68 110.81 2oqp s LEU 92 Ca 0.00 0.26 -0.17 0.00 0.02 0.00 0.00 54.13 54.24 2oqp s LEU 92 Cb 0.00 0.39 -0.05 0.00 0.02 0.00 0.00 46.19 46.55 2oqp s LEU 92 CO 0.00 -0.09 0.46 -0.89 0.02 0.00 0.00 176.35 175.86 2oqp s THR 93 N 0.54 5.11 0.09 5.49 2.01 -1.26 -4.79 115.64 122.83 2oqp s THR 93 Ca -0.04 0.94 0.06 0.00 0.31 0.00 0.00 61.69 62.96 2oqp s THR 93 Cb -0.05 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2oqp s THR 93 CO -0.02 0.41 -0.15 0.00 -0.69 0.00 0.00 174.62 174.16 2oqp s PRO 95 N -2.04 4.43 0.59 0.00 0.04 -1.26 -5.03 135.00 131.73 2oqp s PRO 95 Ca 0.03 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 2oqp s PRO 95 Cb -0.09 -3.40 0.15 0.00 0.04 0.00 0.00 34.50 31.21 2oqp s PRO 95 CO 0.03 -0.27 0.44 0.45 0.04 0.00 0.00 177.00 177.69 2oqp n SER 96 N 4.15 -2.14 0.26 6.66 2.88 -1.26 -4.80 113.62 119.36 2oqp n SER 96 Ca 0.09 -0.61 0.15 0.00 -1.33 0.00 0.00 58.87 57.17 2oqp n SER 96 Cb 0.47 -0.44 0.58 0.00 -0.75 0.00 0.00 64.21 64.07 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oqp h ASP 98 N 0.00 0.00 -3.20 0.00 1.82 -1.99 -3.30 116.42 109.75 2oqp h ASP 98 Ca -0.00 0.00 -0.70 0.00 -0.39 0.00 0.00 57.03 55.94 2oqp h ASP 98 Cb 0.62 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.27 2oqp h ASP 98 CO 0.01 0.27 -0.11 -1.20 -1.61 0.00 0.00 179.24 176.59 2oqp n SER 99 N -3.88 4.21 0.00 2.28 7.64 -0.81 -4.49 113.62 118.57 2oqp n SER 99 Ca -0.02 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2oqp n SER 99 Cb 0.35 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2oqp n SER 99 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2oqp n TYR 100 N 2.12 0.00 0.00 1.43 4.01 -1.24 -4.57 117.16 118.91 2oqp n TYR 100 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2oqp n TYR 100 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.61 0.00 -0.13 -0.72 2.13 -1.25 -4.82 120.64 115.23 2oqp n GLU 101 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 2oqp n GLU 101 Cb 0.00 0.00 0.16 0.00 0.27 0.00 0.00 31.44 31.87 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 0.26 -3.40 -3.65 5.31 4.76 -1.26 -4.21 118.16 115.98 2oqp n LYS 102 Ca 0.00 -0.77 -0.02 0.00 -2.87 0.00 0.00 58.31 54.64 2oqp n LYS 102 Cb 0.00 -1.03 -0.01 0.00 -1.84 0.00 0.00 35.03 32.15 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 -4.03 0.71 1.01 1.97 1.02 0.50 -4.79 119.74 116.14 2oqp s LYS 103 Ca 0.36 -0.36 -0.15 0.00 0.02 0.00 0.00 55.97 55.83 2oqp s LYS 103 Cb -0.06 0.26 0.20 0.00 -0.52 0.00 0.00 37.83 37.71 2oqp s LYS 103 CO 0.30 -0.32 1.19 -1.25 -0.92 0.00 0.00 175.35 174.34 2oqp s PRO 104 N -2.81 0.30 -0.02 -1.68 0.04 -1.26 -1.69 135.00 127.88 2oqp s PRO 104 Ca 0.12 -0.03 -0.22 0.00 0.04 0.00 0.00 61.00 60.91 2oqp s PRO 104 Cb 0.01 -1.77 -0.22 0.00 0.04 0.00 0.00 34.50 32.56 2oqp s PRO 104 CO -0.03 -2.71 1.10 -1.00 0.04 0.00 0.00 177.00 174.40 2oqp h PRO 105 N -1.86 0.29 -0.68 0.56 0.13 -1.84 0.43 132.00 129.03 2oqp h PRO 105 Ca -0.47 -0.28 0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2oqp h PRO 105 Cb 1.29 0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.38 2oqp h PRO 105 CO 0.47 0.97 0.07 1.57 -0.23 0.00 0.00 178.00 180.84 2oqp h LYS 106 N -0.29 0.17 0.12 0.86 2.10 -1.95 0.18 116.57 117.77 2oqp h LYS 106 Ca -0.04 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2oqp h LYS 106 Cb 1.08 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2oqp h LYS 106 CO 0.07 0.11 -0.06 1.49 -2.00 0.00 0.00 179.45 179.06 2oqp h GLU 107 N 0.17 -0.16 -1.06 0.07 4.22 -1.95 -0.29 114.58 115.57 2oqp h GLU 107 Ca 0.37 0.01 0.39 0.00 0.08 0.00 0.00 59.36 60.20 2oqp h GLU 107 Cb 0.62 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.75 2oqp h GLU 107 CO -0.54 0.32 0.61 0.35 -2.18 0.00 0.00 179.01 177.57 2oqp h PHE 108 N -0.83 0.81 0.23 0.92 3.57 -0.22 1.94 116.94 123.36 2oqp h PHE 108 Ca -0.02 0.04 -0.34 0.00 3.53 0.00 0.00 57.97 61.17 2oqp h PHE 108 Cb 0.55 -0.20 0.03 0.00 2.79 0.00 0.00 35.95 39.12 2oqp h PHE 108 CO 0.10 -0.31 -1.60 -0.07 -2.23 0.00 0.00 178.31 174.20 2oqp h LEU 109 N 0.14 0.74 -2.05 0.59 -0.00 -0.68 -1.28 115.31 112.78 2oqp h LEU 109 Ca 0.80 -0.91 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 2oqp h LEU 109 Cb 2.09 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 42.51 2oqp h LEU 109 CO -0.64 1.74 -0.04 -0.08 -0.00 0.00 0.00 178.44 179.42 2oqp h GLU 110 N 0.13 0.00 0.06 1.13 4.81 0.26 -0.31 114.58 120.66 2oqp h GLU 110 Ca -0.29 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.61 2oqp h GLU 110 Cb 2.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.49 2oqp h GLU 110 CO 0.23 0.04 -1.79 -2.13 -0.73 0.00 0.00 179.01 174.64 2oqp n ARG 111 N -3.24 0.66 0.41 1.92 0.63 0.58 -3.50 116.66 114.12 2oqp n ARG 111 Ca -0.01 0.38 -0.18 0.00 -0.92 0.00 0.00 57.85 57.11 2oqp n ARG 111 Cb 0.22 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.34 2oqp n ARG 111 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2oqp h PHE 112 N -0.44 -0.94 -0.41 -0.14 3.57 -1.01 0.32 116.94 117.89 2oqp h PHE 112 Ca -0.43 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.13 2oqp h PHE 112 Cb 1.70 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 40.68 2oqp h PHE 112 CO 0.07 -0.58 -0.11 -0.22 -2.23 0.00 0.00 178.31 175.24 2oqp h LYS 113 N -1.04 -0.01 0.47 1.11 3.64 -1.28 -1.12 116.57 118.35 2oqp h LYS 113 Ca -0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2oqp h LYS 113 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2oqp h LYS 113 CO 0.17 -0.01 -0.39 0.77 -2.27 0.00 0.00 179.45 177.73 2oqp h SER 114 N -0.01 -1.03 -0.90 4.20 0.02 -1.56 -1.29 113.55 112.97 2oqp h SER 114 Ca 0.20 0.07 0.30 0.00 -0.84 0.00 0.00 61.79 61.52 2oqp h SER 114 Cb 0.31 0.33 -0.17 0.00 0.14 0.00 0.00 62.40 63.01 2oqp h SER 114 CO -0.43 -0.54 0.20 -0.11 -1.14 0.00 0.00 176.83 174.81 2oqp n LEU 115 N -4.77 0.05 0.41 5.07 -0.00 0.11 0.23 117.00 118.10 2oqp n LEU 115 Ca -0.10 1.52 -0.17 0.00 -0.00 0.00 0.00 56.01 57.26 2oqp n LEU 115 Cb 0.37 -0.62 -0.08 0.00 -0.00 0.00 0.00 43.42 43.08 2oqp n LEU 115 CO 0.22 -1.60 0.53 -0.07 -0.00 0.00 0.00 177.39 176.47 2oqp h LEU 116 N 0.00 -0.97 0.00 -1.96 3.38 -0.43 -0.17 115.31 115.16 2oqp h LEU 116 Ca 0.63 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.64 2oqp h LEU 116 Cb 1.47 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2oqp h LEU 116 CO -0.79 -0.66 0.00 0.00 0.09 0.00 0.00 178.44 177.08 2oqp n GLN 117 N -4.99 0.19 0.00 1.13 10.64 0.20 0.44 117.38 125.00 2oqp n GLN 117 Ca -0.13 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 2oqp n GLN 117 Cb 0.43 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 2oqp n GLN 117 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2oqp n LYS 118 N -1.24 0.00 -0.06 2.61 3.00 0.63 -4.42 118.16 118.68 2oqp n LYS 118 Ca 0.06 0.32 -0.05 0.00 -0.00 0.00 0.00 58.31 58.64 2oqp n LYS 118 Cb 0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 35.03 34.29 2oqp n LYS 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2oqp n MET 119 N -1.70 0.38 -0.28 1.64 1.56 -0.18 -3.84 117.12 114.69 2oqp n MET 119 Ca 0.00 0.32 0.16 0.00 -0.27 0.00 0.00 57.70 57.91 2oqp n MET 119 Cb 0.00 -1.36 0.31 0.00 2.15 0.00 0.00 33.22 34.32 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 -4.06 -0.35 0.00 1.12 -0.00 -0.64 0.17 119.36 115.60 2oqp n ILE 120 Ca -0.08 1.79 0.00 0.00 -0.00 0.00 0.00 62.75 64.46 2oqp n ILE 120 Cb 0.30 -2.68 0.00 0.00 -0.00 0.00 0.00 39.64 37.26 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 -5.11 0.00 -0.48 1.39 8.25 0.17 -2.06 115.22 117.38 2oqp n HIS 121 Ca 0.23 0.00 0.42 0.00 -0.26 0.00 0.00 57.72 58.11 2oqp n HIS 121 Cb 0.75 -0.37 0.73 0.00 1.12 0.00 0.00 29.99 32.22 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2oqp h GLN 122 N 0.00 0.00 -1.53 -0.41 3.07 -0.95 0.62 115.11 115.92 2oqp h GLN 122 Ca 0.00 0.00 0.45 0.00 0.09 0.00 0.00 58.65 59.19 2oqp h GLN 122 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.48 2oqp h GLN 122 CO 0.00 0.00 1.07 1.25 0.09 0.00 0.00 178.83 181.24 2oqp h HIS 123 N 0.00 0.17 0.00 0.06 2.76 0.31 -0.73 115.15 117.72 2oqp h HIS 123 Ca 0.72 0.01 -0.24 0.00 -2.20 0.00 0.00 60.37 58.66 2oqp h HIS 123 Cb 3.11 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 31.99 2oqp h HIS 123 CO 0.00 -0.05 -1.60 -0.11 -1.30 0.00 0.00 177.93 174.87 2oqp n LEU 124 N -4.24 1.91 0.00 0.26 -0.00 0.22 -4.64 117.00 110.51 2oqp n LEU 124 Ca 0.36 0.40 0.00 0.00 -0.00 0.00 0.00 56.01 56.77 2oqp n LEU 124 Cb 1.58 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 44.15 2oqp n LEU 124 CO 0.36 0.17 0.00 -0.24 -0.00 0.00 0.00 177.39 177.69 2oqp n SER 125 N -4.39 0.00 0.00 1.96 2.88 -0.28 -3.45 113.62 110.33 2oqp n SER 125 Ca -0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 2oqp n SER 125 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 2oqp n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2oqp n SER 126 N 4.00 0.00 -3.98 -3.46 2.88 -1.26 -5.00 113.62 106.80 2oqp n SER 126 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2oqp n SER 126 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2oqp n SER 126 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2oqp n ARG 127 N -0.47 -0.81 -1.32 -1.46 1.85 -1.26 -4.24 116.66 108.95 2oqp n ARG 127 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2oqp n ARG 127 Cb 0.00 -2.61 0.00 0.00 -1.05 0.00 0.00 32.46 28.80 2oqp n ARG 127 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2oqp n THR 128 N -3.98 -2.62 -1.96 8.89 -1.04 -1.26 -4.96 114.28 107.35 2oqp n THR 128 Ca -0.22 1.29 -0.29 0.00 -2.04 0.00 0.00 64.05 62.78 2oqp n THR 128 Cb 0.54 -2.10 0.17 0.00 -1.82 0.00 0.00 70.33 67.12 2oqp n THR 128 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2oqp s HIS 129 N -5.03 1.74 0.21 -1.42 -3.43 -1.22 -4.90 115.29 101.23 2oqp s HIS 129 Ca 0.00 0.34 -0.09 0.00 -0.80 0.00 0.00 55.06 54.50 2oqp s HIS 129 Cb 0.00 -4.01 0.29 0.00 -1.43 0.00 0.00 32.58 27.43 2oqp s HIS 129 CO 0.00 -2.52 1.74 0.78 -2.00 0.00 0.00 174.74 172.74 2oqp h GLY 130 N -1.53 0.85 -2.73 -1.38 0.00 -1.89 -3.48 103.07 92.92 2oqp h GLY 130 Ca -0.44 -0.10 0.28 0.00 0.00 0.00 0.00 47.33 47.06 2oqp h GLY 130 CO 0.41 -0.04 -0.63 -1.26 0.00 0.00 0.00 176.54 175.02 2oqp n SER 131 N -5.02 -6.49 -3.87 0.19 2.88 -1.26 -5.02 113.62 95.03 2oqp n SER 131 Ca 0.09 0.72 -0.08 0.00 -1.33 0.00 0.00 58.87 58.27 2oqp n SER 131 Cb 0.29 -3.82 -0.03 0.00 -0.75 0.00 0.00 64.21 59.89 2oqp n SER 131 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2oqp s GLU 132 N -3.01 1.61 0.18 -1.46 1.03 -1.26 -5.05 118.70 110.74 2oqp s GLU 132 Ca 0.00 -1.03 -0.20 0.00 0.03 0.00 0.00 54.97 53.77 2oqp s GLU 132 Cb 0.00 0.55 0.11 0.00 -0.80 0.00 0.00 34.13 33.99 2oqp s GLU 132 CO 0.00 -0.71 1.61 -0.44 -1.33 0.00 0.00 175.26 174.39 2oqp h ASP 133 N 2.12 -0.93 -0.01 0.83 3.32 -2.06 -3.56 116.42 116.14 2oqp h ASP 133 Ca -0.24 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2oqp h ASP 133 Cb 1.25 0.47 0.00 0.00 0.22 0.00 0.00 39.33 41.27 2oqp h ASP 133 CO 0.30 -0.28 0.00 -1.54 -1.72 0.00 0.00 179.24 176.00