#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 -0.83 -3.27 0.03 6.02 -1.26 -5.16 117.38 112.90 2oqp n GLN 2 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2oqp n GLN 2 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 2oqp n GLN 2 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2oqp s GLY 3 N 0.00 2.04 -0.00 1.08 0.00 -1.26 -5.10 107.32 104.08 2oqp s GLY 3 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.32 2oqp s GLY 3 CO 0.00 -0.24 0.04 1.20 0.00 0.00 0.00 173.10 174.11 2oqp s GLN 4 N -3.33 0.25 0.53 2.90 -1.52 -1.26 -5.14 119.66 112.10 2oqp s GLN 4 Ca 0.47 -0.29 -0.21 0.00 -1.95 0.00 0.00 55.36 53.38 2oqp s GLN 4 Cb -0.11 0.10 -0.06 0.00 -0.22 0.00 0.00 33.01 32.72 2oqp s GLN 4 CO 0.27 -0.05 1.12 -0.25 -0.25 0.00 0.00 175.29 176.13 2oqp n ASP 5 N 2.14 1.63 0.24 5.90 9.92 -1.26 -4.88 116.55 130.24 2oqp n ASP 5 Ca -0.19 0.94 0.14 0.00 -0.53 0.00 0.00 54.79 55.14 2oqp n ASP 5 Cb 0.57 -1.45 0.34 0.00 -0.64 0.00 0.00 41.12 39.94 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 1.15 0.00 0.03 -1.24 2.47 -2.00 -2.73 114.38 112.06 2oqp h ARG 6 Ca -0.48 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 57.95 2oqp h ARG 6 Cb 1.33 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.61 2oqp h ARG 6 CO 0.55 0.01 -1.63 0.45 0.56 0.00 0.00 179.97 179.90 2oqp h HIS 7 N 0.00 0.11 -0.18 3.04 3.86 -1.99 -2.58 115.15 117.41 2oqp h HIS 7 Ca -0.00 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.01 2oqp h HIS 7 Cb 0.84 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2oqp h HIS 7 CO 0.00 1.14 -0.41 1.98 0.86 0.00 0.00 177.93 181.51 2oqp h MET 8 N 0.02 0.41 0.02 2.45 1.85 -1.91 -2.96 114.93 114.81 2oqp h MET 8 Ca -0.26 -0.20 -0.25 0.00 -0.61 0.00 0.00 59.70 58.38 2oqp h MET 8 Cb 1.99 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.98 2oqp h MET 8 CO 0.10 0.75 -1.30 -0.84 -0.40 0.00 0.00 176.91 175.22 2oqp h ILE 9 N 0.34 1.37 -1.00 1.77 -0.00 -1.61 -2.63 117.51 115.75 2oqp h ILE 9 Ca 0.03 -3.11 0.27 0.00 -0.00 0.00 0.00 64.86 62.05 2oqp h ILE 9 Cb 0.86 2.70 -0.13 0.00 -0.00 0.00 0.00 36.82 40.25 2oqp h ILE 9 CO 0.07 0.80 0.57 -0.09 -0.00 0.00 0.00 178.15 179.51 2oqp h ARG 10 N 0.01 0.47 0.00 0.16 9.65 -1.28 0.36 114.38 123.75 2oqp h ARG 10 Ca -0.13 -0.03 -0.29 0.00 -1.10 0.00 0.00 59.98 58.43 2oqp h ARG 10 Cb 1.88 -0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 30.30 2oqp h ARG 10 CO 0.12 0.31 -1.92 0.00 2.80 0.00 0.00 179.97 181.28 2oqp n MET 11 N -4.95 0.65 0.42 0.20 0.00 -1.22 -4.20 117.12 108.02 2oqp n MET 11 Ca 0.28 0.16 -0.19 0.00 0.00 0.00 0.00 57.70 57.95 2oqp n MET 11 Cb 0.82 -1.69 -0.09 0.00 0.00 0.00 0.00 33.22 32.26 2oqp n MET 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2oqp h ARG 12 N 0.00 -1.01 -1.19 3.17 2.43 -0.52 -1.37 114.38 115.89 2oqp h ARG 12 Ca -0.35 0.07 0.35 0.00 -0.81 0.00 0.00 59.98 59.24 2oqp h ARG 12 Cb 1.99 0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 31.68 2oqp h ARG 12 CO 0.05 -0.67 0.79 1.96 -1.51 0.00 0.00 179.97 180.59 2oqp h GLN 13 N -1.08 0.21 0.17 0.20 1.08 -0.61 0.97 115.11 116.05 2oqp h GLN 13 Ca -0.11 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2oqp h GLN 13 Cb 0.81 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2oqp h GLN 13 CO 0.18 0.14 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.04 2oqp h LEU 14 N 0.21 -0.20 -1.56 1.46 3.38 -1.59 0.83 115.31 117.84 2oqp h LEU 14 Ca 0.68 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.91 2oqp h LEU 14 Cb 2.08 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.81 2oqp h LEU 14 CO -0.29 -0.09 0.66 0.40 0.09 0.00 0.00 178.44 179.21 2oqp h ILE 15 N -0.33 0.57 -0.20 1.22 5.03 -0.13 0.56 117.51 124.24 2oqp h ILE 15 Ca -0.02 -0.11 -0.14 0.00 -0.12 0.00 0.00 64.86 64.47 2oqp h ILE 15 Cb 0.18 0.24 0.00 0.00 -3.03 0.00 0.00 36.82 34.20 2oqp h ILE 15 CO 0.04 0.06 -0.41 -0.78 -0.68 0.00 0.00 178.15 176.37 2oqp h ASP 16 N 0.31 0.71 -0.81 1.72 1.82 0.99 -0.92 116.42 120.25 2oqp h ASP 16 Ca 0.52 -0.55 0.05 0.00 -0.39 0.00 0.00 57.03 56.66 2oqp h ASP 16 Cb 1.48 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 41.23 2oqp h ASP 16 CO -0.19 1.13 0.50 0.40 -1.61 0.00 0.00 179.24 179.48 2oqp h ILE 17 N 0.32 1.07 0.53 2.25 2.04 0.58 0.61 117.51 124.91 2oqp h ILE 17 Ca 0.01 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2oqp h ILE 17 Cb 1.02 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2oqp h ILE 17 CO 0.09 0.17 -0.25 0.58 0.00 0.00 0.00 178.15 178.74 2oqp h VAL 18 N 0.95 0.00 -1.49 1.67 2.07 -0.76 -1.21 116.25 117.48 2oqp h VAL 18 Ca 0.34 -0.20 0.44 0.00 0.82 0.00 0.00 66.70 68.10 2oqp h VAL 18 Cb 0.10 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.79 2oqp h VAL 18 CO -0.15 0.00 1.04 -0.78 0.02 0.00 0.00 177.57 177.71 2oqp h ASP 19 N -0.91 0.09 0.21 0.57 3.58 -1.00 1.31 116.42 120.27 2oqp h ASP 19 Ca -0.07 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2oqp h ASP 19 Cb 0.54 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2oqp h ASP 19 CO 0.12 -0.03 -0.10 -0.61 -2.88 0.00 0.00 179.24 175.73 2oqp h GLN 20 N 0.05 -0.28 -0.53 0.28 4.15 -0.58 -1.35 115.11 116.84 2oqp h GLN 20 Ca 0.76 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 60.13 2oqp h GLN 20 Cb 2.82 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 30.55 2oqp h GLN 20 CO -0.12 0.10 0.06 1.25 -1.93 0.00 0.00 178.83 178.19 2oqp h LEU 21 N -0.76 0.82 -0.46 -2.39 7.12 0.14 -2.48 115.31 117.30 2oqp h LEU 21 Ca -0.03 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 57.84 2oqp h LEU 21 Cb 0.50 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.38 2oqp h LEU 21 CO 0.05 0.84 0.24 0.11 -0.13 0.00 0.00 178.44 179.55 2oqp h LYS 22 N 0.81 0.46 0.00 1.25 1.57 0.14 0.47 116.57 121.27 2oqp h LYS 22 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2oqp h LYS 22 Cb 0.39 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2oqp h LYS 22 CO 0.01 0.31 0.00 -1.71 -0.57 0.00 0.00 179.45 177.49 2oqp n ASN 23 N -4.89 0.00 -0.21 0.86 2.85 -0.51 -1.49 115.26 111.87 2oqp n ASN 23 Ca 0.03 0.07 0.08 0.00 -0.11 0.00 0.00 54.58 54.65 2oqp n ASN 23 Cb 0.11 -0.28 0.13 0.00 1.24 0.00 0.00 39.78 40.98 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 -1.28 0.00 0.32 1.20 4.02 0.14 -4.70 117.16 116.86 2oqp n TYR 24 Ca 0.07 -0.95 0.20 0.00 -0.01 0.00 0.00 57.90 57.21 2oqp n TYR 24 Cb 0.11 -0.15 1.08 0.00 -0.02 0.00 0.00 39.34 40.36 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2oqp h VAL 25 N 1.00 0.13 -0.72 -0.72 -1.51 0.35 -1.38 116.25 113.40 2oqp h VAL 25 Ca -0.00 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.67 2oqp h VAL 25 Cb 1.06 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 2oqp h VAL 25 CO 0.00 0.00 0.88 -1.13 -1.23 0.00 0.00 177.57 176.09 2oqp h ASN 26 N 0.00 0.00 -1.97 4.19 -0.73 -1.84 0.55 115.58 115.78 2oqp h ASN 26 Ca 0.01 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.60 2oqp h ASN 26 Cb 0.15 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 38.32 2oqp h ASN 26 CO -0.00 0.00 -0.71 0.47 -0.37 0.00 0.00 177.43 176.82 2oqp n ASP 27 N -3.38 4.35 -4.20 1.15 9.92 -0.52 -4.95 116.55 118.92 2oqp n ASP 27 Ca 0.15 -3.65 -0.30 0.00 -0.53 0.00 0.00 54.79 50.47 2oqp n ASP 27 Cb 1.12 -0.53 -0.16 0.00 -0.64 0.00 0.00 41.12 40.91 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 -3.45 2.00 -0.24 0.64 1.43 0.19 -2.78 118.68 116.47 2oqp s LEU 28 Ca 0.48 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 2oqp s LEU 28 Cb 0.33 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 2oqp s LEU 28 CO -0.15 0.19 0.59 0.54 0.23 0.00 0.00 176.35 177.75 2oqp s VAL 29 N 0.04 5.03 -0.55 -1.59 0.11 -0.60 -4.12 120.40 118.72 2oqp s VAL 29 Ca -0.07 1.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.76 2oqp s VAL 29 Cb -0.14 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 2oqp s VAL 29 CO 0.04 0.08 1.49 -2.16 -3.33 0.00 0.00 175.10 171.22 2oqp s PRO 30 N 2.22 3.24 0.17 1.54 0.04 -1.26 -4.78 135.00 136.18 2oqp s PRO 30 Ca 0.25 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.88 2oqp s PRO 30 Cb -0.16 -4.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 2oqp s PRO 30 CO 0.09 -2.00 -0.06 -1.21 0.04 0.00 0.00 177.00 173.86 2oqp s GLU 31 N 5.66 1.14 -0.81 4.56 0.41 -1.26 -5.06 118.70 123.33 2oqp s GLU 31 Ca 0.56 -1.52 -0.25 0.00 -0.41 0.00 0.00 54.97 53.35 2oqp s GLU 31 Cb -0.12 -0.57 -0.08 0.00 -1.78 0.00 0.00 34.13 31.59 2oqp s GLU 31 CO 0.25 -0.00 2.12 -0.06 -0.49 0.00 0.00 175.26 177.09 2oqp s PHE 32 N -3.40 1.52 -0.16 1.61 0.40 -1.26 -4.72 117.98 111.97 2oqp s PHE 32 Ca 0.21 1.17 -0.08 0.00 -0.60 0.00 0.00 56.93 57.62 2oqp s PHE 32 Cb 0.04 -3.81 -0.04 0.00 0.51 0.00 0.00 43.02 39.71 2oqp s PHE 32 CO 0.03 -1.79 0.12 -0.51 0.70 0.00 0.00 175.22 173.77 2oqp s LEU 33 N 11.72 4.18 -0.01 -0.37 1.02 -1.17 -4.85 118.68 129.20 2oqp s LEU 33 Ca 0.79 0.29 -0.30 0.00 0.02 0.00 0.00 54.13 54.92 2oqp s LEU 33 Cb -0.10 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2oqp s LEU 33 CO 0.06 0.27 1.20 -2.16 0.02 0.00 0.00 176.35 175.74 2oqp s PRO 34 N -0.17 4.38 -0.08 1.29 0.04 -1.26 0.17 135.00 139.37 2oqp s PRO 34 Ca 0.10 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2oqp s PRO 34 Cb -0.12 -3.49 0.02 0.00 0.04 0.00 0.00 34.50 30.95 2oqp s PRO 34 CO 0.01 -0.38 -0.11 0.00 0.04 0.00 0.00 177.00 176.56 2oqp s ALA 35 N 1.81 1.31 0.07 8.56 0.00 -1.26 -4.65 121.76 127.60 2oqp s ALA 35 Ca 0.57 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2oqp s ALA 35 Cb -0.26 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 2oqp s ALA 35 CO 0.25 -0.04 1.16 -1.25 0.00 0.00 0.00 175.76 175.88 2oqp s PRO 36 N 0.95 4.47 -0.36 0.00 0.04 -1.26 -4.83 135.00 134.00 2oqp s PRO 36 Ca -0.09 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 2oqp s PRO 36 Cb -0.15 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.06 2oqp s PRO 36 CO 0.00 -0.19 0.20 -2.00 0.04 0.00 0.00 177.00 175.05 2oqp s GLU 37 N 0.87 2.96 -0.05 4.56 2.12 -1.26 -4.82 118.70 123.08 2oqp s GLU 37 Ca 0.57 -0.99 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2oqp s GLU 37 Cb -0.28 -3.70 0.02 0.00 0.26 0.00 0.00 34.13 30.42 2oqp s GLU 37 CO 0.30 -0.63 0.08 -3.47 -0.54 0.00 0.00 175.26 171.00 2oqp n ASP 38 N 5.00 -5.76 -4.35 -1.70 2.03 -1.26 -5.01 116.55 105.49 2oqp n ASP 38 Ca -0.12 1.60 -0.32 0.00 0.52 0.00 0.00 54.79 56.47 2oqp n ASP 38 Cb 0.47 -4.77 -0.15 0.00 -0.72 0.00 0.00 41.12 35.95 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2oqp s VAL 39 N -0.54 2.48 0.98 5.18 -7.23 -1.26 -4.98 120.40 115.02 2oqp s VAL 39 Ca -0.09 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 2oqp s VAL 39 Cb 0.01 -1.94 0.09 0.00 0.56 0.00 0.00 36.38 35.10 2oqp s VAL 39 CO 0.25 0.57 0.62 1.21 -0.31 0.00 0.00 175.10 177.44 2oqp n GLU 40 N 2.71 -0.64 -0.28 4.82 2.13 -1.26 -4.54 120.64 123.57 2oqp n GLU 40 Ca -0.17 -0.14 0.09 0.00 0.66 0.00 0.00 57.16 57.59 2oqp n GLU 40 Cb 0.52 -2.01 0.22 0.00 0.27 0.00 0.00 31.44 30.43 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 -1.80 0.31 -1.39 6.31 2.02 -2.00 0.49 112.91 116.85 2oqp h THR 41 Ca -0.46 -0.05 -0.69 0.00 0.77 0.00 0.00 66.41 65.98 2oqp h THR 41 Cb 1.29 0.16 -0.31 0.00 -1.74 0.00 0.00 68.15 67.55 2oqp h THR 41 CO 0.38 0.03 0.65 0.59 0.37 0.00 0.00 175.52 177.53 2oqp n ASN 42 N -5.30 7.13 0.00 4.18 4.13 -1.26 -4.25 115.26 119.88 2oqp n ASN 42 Ca 0.17 -3.80 0.00 0.00 1.68 0.00 0.00 54.58 52.63 2oqp n ASN 42 Cb 0.57 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 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 -2.43 -0.01 0.07 0.00 4.71 -1.09 0.21 120.64 122.10 2oqp n GLU 44 Ca 0.00 0.95 -0.08 0.00 -0.01 0.00 0.00 57.16 58.02 2oqp n GLU 44 Cb 0.40 -2.07 -0.05 0.00 -1.01 0.00 0.00 31.44 28.71 2oqp n GLU 44 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 2oqp h TRP 45 N 0.00 -0.25 0.00 -0.32 4.06 -1.87 -0.65 115.95 116.92 2oqp h TRP 45 Ca 0.76 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.71 2oqp h TRP 45 Cb 2.86 0.08 0.00 0.00 -1.00 0.00 0.00 29.16 31.10 2oqp h TRP 45 CO -0.00 0.03 0.13 0.77 -3.56 0.00 0.00 178.44 175.82 2oqp h SER 46 N -1.00 0.00 0.49 -3.49 0.02 0.22 0.53 113.55 110.31 2oqp h SER 46 Ca -0.03 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 2oqp h SER 46 Cb 0.40 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 2oqp h SER 46 CO 0.05 0.00 -1.70 0.00 -1.14 0.00 0.00 176.83 174.04 2oqp h ALA 47 N 1.69 0.74 -0.30 3.77 0.00 0.37 -3.33 119.26 122.20 2oqp h ALA 47 Ca 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 54.91 53.56 2oqp h ALA 47 Cb 0.26 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2oqp h ALA 47 CO 0.00 1.56 0.47 0.35 0.00 0.00 0.00 179.25 181.63 2oqp h PHE 48 N 0.00 0.00 0.00 0.00 3.04 0.17 1.48 116.94 121.63 2oqp h PHE 48 Ca -0.28 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.67 2oqp h PHE 48 Cb 2.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.52 2oqp h PHE 48 CO 0.01 0.00 0.00 0.66 -2.02 0.00 0.00 178.31 176.96 2oqp h SER 49 N 0.00 0.00 0.39 0.41 4.64 -1.66 -2.77 113.55 114.56 2oqp h SER 49 Ca 0.14 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 2oqp h SER 49 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2oqp h SER 49 CO -0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.49 2oqp n PHE 51 N -3.98 0.00 0.12 0.00 3.72 -1.05 -2.40 117.46 113.87 2oqp n PHE 51 Ca -0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.40 2oqp n PHE 51 Cb 0.50 -0.34 -0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2oqp n PHE 51 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2oqp h GLN 52 N 0.11 0.00 0.01 -1.08 4.20 -1.29 -3.31 115.11 113.76 2oqp h GLN 52 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 2oqp h GLN 52 Cb 0.48 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 2oqp h GLN 52 CO 0.00 0.53 -2.19 1.63 -0.67 0.00 0.00 178.83 178.12 2oqp n LYS 53 N -3.19 0.68 -0.38 1.46 4.76 -1.17 -4.38 118.16 115.94 2oqp n LYS 53 Ca 0.00 0.13 -0.03 0.00 -2.87 0.00 0.00 58.31 55.55 2oqp n LYS 53 Cb 0.77 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 32.36 2oqp n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2oqp n ALA 54 N -2.83 -0.22 -2.27 7.82 0.00 -1.01 -4.90 120.51 117.10 2oqp n ALA 54 Ca -0.31 0.93 -0.03 0.00 0.00 0.00 0.00 53.44 54.03 2oqp n ALA 54 Cb 1.09 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 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 -5.37 -3.89 -2.60 0.00 7.27 -1.26 -4.91 117.38 106.63 2oqp n GLN 55 Ca 0.08 2.98 -0.42 0.00 0.07 0.00 0.00 57.00 59.71 2oqp n GLN 55 Cb 0.36 -4.14 -0.03 0.00 2.41 0.00 0.00 30.24 28.83 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 -0.51 4.36 0.02 1.69 1.98 -1.26 -5.03 118.68 119.93 2oqp s LEU 56 Ca -0.15 1.79 0.04 0.00 -2.89 0.00 0.00 54.13 52.91 2oqp s LEU 56 Cb 0.01 -3.57 -0.02 0.00 0.66 0.00 0.00 46.19 43.27 2oqp s LEU 56 CO 0.41 -0.35 -0.12 -0.75 -1.89 0.00 0.00 176.35 173.65 2oqp s LYS 57 N 1.10 0.87 0.53 1.98 2.47 -1.26 -4.91 119.74 120.52 2oqp s LYS 57 Ca 0.54 -0.62 -0.07 0.00 -1.56 0.00 0.00 55.97 54.26 2oqp s LYS 57 Cb -0.24 -0.85 -0.03 0.00 -1.46 0.00 0.00 37.83 35.24 2oqp s LYS 57 CO 0.28 0.22 0.87 -1.12 0.16 0.00 0.00 175.35 175.76 2oqp s SER 58 N -0.85 6.21 0.04 1.43 0.01 -1.26 -1.56 113.70 117.73 2oqp s SER 58 Ca 0.02 1.07 -0.09 0.00 1.31 0.00 0.00 55.95 58.26 2oqp s SER 58 Cb -0.07 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2oqp s SER 58 CO 0.01 -0.70 1.04 0.00 0.41 0.00 0.00 173.24 174.00 2oqp n ALA 59 N -2.44 -0.18 0.00 1.44 0.00 -1.12 -4.04 120.51 114.18 2oqp n ALA 59 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2oqp n ALA 59 Cb 0.55 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 -3.58 0.00 0.03 0.00 3.02 -1.26 -4.71 115.26 108.76 2oqp n ASN 60 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.67 2oqp n ASN 60 Cb 0.07 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 2oqp n ASN 60 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2oqp n THR 61 N 0.00 0.20 -1.59 3.41 5.66 -1.26 -4.95 114.28 115.75 2oqp n THR 61 Ca 0.00 -0.26 -0.42 0.00 -3.05 0.00 0.00 64.05 60.32 2oqp n THR 61 Cb 0.00 0.14 0.01 0.00 -1.55 0.00 0.00 70.33 68.93 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 1.36 -0.34 0.14 1.09 0.00 -1.26 -4.91 105.19 101.27 2oqp n GLY 62 Ca 0.02 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2oqp n GLY 62 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2oqp h ASN 63 N 1.53 0.40 0.07 1.61 -1.24 -1.96 -2.57 115.58 113.42 2oqp h ASN 63 Ca -0.43 -0.54 0.00 0.00 0.71 0.00 0.00 56.30 56.03 2oqp h ASN 63 Cb 1.34 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2oqp h ASN 63 CO 0.57 0.87 0.00 0.59 -1.29 0.00 0.00 177.43 178.16 2oqp n ASN 64 N -4.50 0.57 -0.26 1.15 5.03 -1.26 -2.82 115.26 113.18 2oqp n ASN 64 Ca -0.07 0.75 0.21 0.00 0.87 0.00 0.00 54.58 56.35 2oqp n ASN 64 Cb 0.42 -0.83 0.39 0.00 -1.02 0.00 0.00 39.78 38.74 2oqp n ASN 64 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2oqp n GLU 65 N -2.26 -0.05 0.09 3.52 0.00 -0.97 0.19 120.64 121.17 2oqp n GLU 65 Ca -0.01 1.11 -0.07 0.00 0.00 0.00 0.00 57.16 58.19 2oqp n GLU 65 Cb 0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 31.44 29.53 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 -0.32 -0.08 5.31 9.65 -1.76 -1.91 114.38 125.27 2oqp h ARG 66 Ca 0.61 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.54 2oqp h ARG 66 Cb 1.53 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 30.18 2oqp h ARG 66 CO -0.64 -0.10 0.36 0.97 2.80 0.00 0.00 179.97 183.36 2oqp h ILE 67 N -1.04 0.08 0.00 1.20 -0.00 -0.31 1.35 117.51 118.79 2oqp h ILE 67 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 64.86 64.59 2oqp h ILE 67 Cb 0.37 0.66 -0.04 0.00 -0.00 0.00 0.00 36.82 37.81 2oqp h ILE 67 CO 0.06 0.00 -1.25 0.40 -0.00 0.00 0.00 178.15 177.36 2oqp h ILE 68 N 0.00 1.31 0.00 2.19 5.03 0.22 -3.16 117.51 123.10 2oqp h ILE 68 Ca 0.04 -3.04 0.00 0.00 -0.12 0.00 0.00 64.86 61.74 2oqp h ILE 68 Cb 0.76 2.64 0.00 0.00 -3.03 0.00 0.00 36.82 37.19 2oqp h ILE 68 CO -0.00 0.74 0.00 -3.20 -0.68 0.00 0.00 178.15 175.01 2oqp n ASN 69 N -3.21 0.00 0.10 1.72 5.15 0.46 -2.43 115.26 117.04 2oqp n ASN 69 Ca -0.06 -0.19 -0.15 0.00 -0.60 0.00 0.00 54.58 53.58 2oqp n ASN 69 Cb 0.97 -0.23 -0.14 0.00 -0.53 0.00 0.00 39.78 39.85 2oqp n ASN 69 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2oqp h VAL 70 N 0.00 1.49 0.00 3.44 -1.51 -1.38 -3.13 116.25 115.16 2oqp h VAL 70 Ca 0.00 -3.08 0.00 0.00 -1.23 0.00 0.00 66.70 62.39 2oqp h VAL 70 Cb 0.17 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 2oqp h VAL 70 CO 0.00 0.90 0.00 -1.20 -1.23 0.00 0.00 177.57 176.04 2oqp n SER 71 N -3.50 0.43 0.20 4.19 7.64 -1.02 -3.31 113.62 118.25 2oqp n SER 71 Ca -0.08 0.57 -0.14 0.00 1.01 0.00 0.00 58.87 60.23 2oqp n SER 71 Cb 1.02 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 2oqp n SER 71 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2oqp h ILE 72 N 0.00 0.61 -0.75 0.44 1.08 -1.60 1.21 117.51 118.49 2oqp h ILE 72 Ca 0.00 -0.44 0.11 0.00 -0.39 0.00 0.00 64.86 64.14 2oqp h ILE 72 Cb 0.48 0.82 -0.13 0.00 -3.07 0.00 0.00 36.82 34.92 2oqp h ILE 72 CO 0.00 0.08 -0.42 0.11 -0.69 0.00 0.00 178.15 177.23 2oqp h LYS 73 N -0.77 -0.12 0.52 2.37 1.57 -1.67 1.47 116.57 119.94 2oqp h LYS 73 Ca -0.05 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2oqp h LYS 73 Cb 0.52 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2oqp h LYS 73 CO 0.08 -0.08 -0.25 0.87 -0.57 0.00 0.00 179.45 179.51 2oqp h LYS 74 N -0.12 -0.67 -1.00 3.15 6.56 -1.68 -2.66 116.57 120.15 2oqp h LYS 74 Ca 0.24 0.05 0.29 0.00 -1.06 0.00 0.00 60.65 60.16 2oqp h LYS 74 Cb 0.55 0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.33 2oqp h LYS 74 CO -0.80 -0.37 0.99 1.25 -2.06 0.00 0.00 179.45 178.46 2oqp h LEU 75 N -1.05 0.00 -3.98 2.94 5.85 0.25 0.31 115.31 119.63 2oqp h LEU 75 Ca -0.07 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.34 2oqp h LEU 75 Cb 0.61 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.53 2oqp h LEU 75 CO 0.12 0.00 0.09 0.29 -0.34 0.00 0.00 178.44 178.60 2oqp n LYS 76 N -3.56 1.99 -3.69 1.25 5.02 0.50 -4.78 118.16 114.89 2oqp n LYS 76 Ca 0.22 -1.48 -0.20 0.00 -2.02 0.00 0.00 58.31 54.83 2oqp n LYS 76 Cb 1.32 -1.86 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 2oqp n LYS 76 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2oqp s ARG 77 N -0.62 3.17 0.12 1.97 1.70 0.11 -4.98 118.95 120.41 2oqp s ARG 77 Ca 0.50 -0.97 0.04 0.00 -0.47 0.00 0.00 55.73 54.83 2oqp s ARG 77 Cb 0.29 -2.79 -0.04 0.00 -0.57 0.00 0.00 34.95 31.84 2oqp s ARG 77 CO -0.08 0.20 0.08 0.15 -1.08 0.00 0.00 175.30 174.56 2oqp s LYS 78 N -4.08 2.77 -0.26 3.89 -0.14 -1.26 -4.89 119.74 115.78 2oqp s LYS 78 Ca 0.41 -0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 53.90 2oqp s LYS 78 Cb -0.09 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.43 2oqp s LYS 78 CO 0.30 0.52 1.33 -1.25 -0.76 0.00 0.00 175.35 175.49 2oqp s PRO 79 N -2.68 3.97 1.08 -1.68 0.04 -1.26 -5.02 135.00 129.46 2oqp s PRO 79 Ca 0.29 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 2oqp s PRO 79 Cb -0.11 -3.87 0.26 0.00 0.04 0.00 0.00 34.50 30.82 2oqp s PRO 79 CO 0.21 -1.05 1.19 -0.35 0.04 0.00 0.00 177.00 177.05 2oqp n PRO 80 N 7.20 -2.17 0.00 0.56 -0.04 -1.26 -2.41 135.00 136.87 2oqp n PRO 80 Ca 0.15 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2oqp n PRO 80 Cb 0.46 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -4.33 0.00 -3.76 3.54 2.88 -1.26 -3.49 113.62 107.21 2oqp n SER 81 Ca 0.16 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.42 2oqp n SER 81 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.00 1.39 -0.34 2.46 5.66 -1.26 -4.94 114.28 117.25 2oqp n THR 82 Ca 0.00 -4.75 0.15 0.00 -3.05 0.00 0.00 64.05 56.40 2oqp n THR 82 Cb 0.00 -2.11 0.30 0.00 -1.55 0.00 0.00 70.33 66.96 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 5.19 -0.44 -3.70 1.09 4.21 -1.51 -3.43 115.58 116.98 2oqp h ASN 83 Ca 0.17 0.28 0.22 0.00 1.21 0.00 0.00 56.30 58.17 2oqp h ASN 83 Cb 0.76 0.47 -0.09 0.00 -1.12 0.00 0.00 38.32 38.34 2oqp h ASN 83 CO 0.69 -0.35 -0.57 0.00 -1.29 0.00 0.00 177.43 175.91 2oqp n ALA 84 N -3.10 -2.21 0.00 -0.83 0.00 -1.26 -4.69 120.51 108.41 2oqp n ALA 84 Ca 0.23 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2oqp n ALA 84 Cb 0.77 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.53 0.47 2.88 0.00 0.00 -1.26 -5.05 105.19 98.69 2oqp n GLY 85 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.73 0.46 -0.47 1.61 0.52 -1.26 -5.03 118.95 114.05 2oqp s ARG 86 Ca 0.00 -0.25 -0.25 0.00 -0.52 0.00 0.00 55.73 54.71 2oqp s ARG 86 Cb 0.00 0.03 0.04 0.00 0.52 0.00 0.00 34.95 35.54 2oqp s ARG 86 CO 0.00 -0.63 0.56 2.89 0.02 0.00 0.00 175.30 178.13 2oqp n ARG 87 N 3.64 -1.56 0.00 3.54 1.85 -1.26 -4.62 116.66 118.24 2oqp n ARG 87 Ca 0.09 1.06 0.00 0.00 -1.00 0.00 0.00 57.85 58.00 2oqp n ARG 87 Cb 0.61 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 2oqp n ARG 87 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2oqp n GLN 88 N -0.73 0.00 -3.54 2.89 7.27 -1.26 -4.80 117.38 117.20 2oqp n GLN 88 Ca -0.13 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.54 2oqp n GLN 88 Cb 0.59 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.19 2oqp n GLN 88 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2oqp s LYS 89 N -3.05 3.32 0.22 3.69 3.01 -1.26 -4.74 119.74 120.93 2oqp s LYS 89 Ca 0.00 -2.90 -0.07 0.00 -1.01 0.00 0.00 55.97 51.99 2oqp s LYS 89 Cb 0.00 -4.10 0.34 0.00 -1.01 0.00 0.00 37.83 33.06 2oqp s LYS 89 CO 0.00 -1.24 1.75 1.25 0.51 0.00 0.00 175.35 177.62 2oqp h HIS 90 N 6.76 0.48 0.00 3.18 -0.00 -1.87 -3.04 115.15 120.66 2oqp h HIS 90 Ca 0.11 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2oqp h HIS 90 Cb 0.91 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 2oqp h HIS 90 CO 0.79 0.12 0.00 0.54 -0.00 0.00 0.00 177.93 179.38 2oqp n ARG 91 N -4.97 0.00 -3.64 5.26 1.74 -1.26 -4.79 116.66 109.00 2oqp n ARG 91 Ca 0.11 0.48 -0.14 0.00 -0.77 0.00 0.00 57.85 57.53 2oqp n ARG 91 Cb 0.31 -0.82 -0.05 0.00 -1.02 0.00 0.00 32.46 30.88 2oqp n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2oqp n LEU 92 N -1.61 0.00 -4.70 0.55 4.32 -1.15 -5.13 117.00 109.27 2oqp n LEU 92 Ca 0.00 -2.36 -0.42 0.00 -0.02 0.00 0.00 56.01 53.21 2oqp n LEU 92 Cb 0.00 1.43 -0.03 0.00 -1.62 0.00 0.00 43.42 43.20 2oqp n LEU 92 CO 0.00 -0.42 0.80 0.42 -1.22 0.00 0.00 177.39 176.97 2oqp s THR 93 N -2.96 4.50 -0.29 -5.08 -4.23 -1.26 -4.64 115.64 101.68 2oqp s THR 93 Ca 0.29 1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 62.38 2oqp s THR 93 Cb 0.01 -4.15 0.18 0.00 1.34 0.00 0.00 72.50 69.88 2oqp s THR 93 CO 0.20 0.10 1.26 0.00 -0.54 0.00 0.00 174.62 175.64 2oqp s PRO 95 N 0.49 4.25 0.84 0.00 0.04 -1.26 -4.67 135.00 134.69 2oqp s PRO 95 Ca 0.01 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 2oqp s PRO 95 Cb -0.04 -2.67 0.19 0.00 0.04 0.00 0.00 34.50 32.02 2oqp s PRO 95 CO -0.12 -0.07 1.15 0.43 0.04 0.00 0.00 177.00 178.42 2oqp n SER 96 N 0.17 0.20 -4.45 6.66 7.64 -1.26 -4.91 113.62 117.66 2oqp n SER 96 Ca 0.04 -1.48 -0.44 0.00 1.01 0.00 0.00 58.87 58.00 2oqp n SER 96 Cb 0.49 -0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 62.75 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 5.93 0.00 -0.20 0.00 2.03 -1.26 -4.96 116.55 118.09 2oqp n ASP 98 Ca -0.07 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.31 2oqp n ASP 98 Cb 0.46 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.20 2oqp n ASP 98 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2oqp h SER 99 N 0.00 0.68 -3.60 1.67 4.64 -1.99 -3.42 113.55 111.52 2oqp h SER 99 Ca 0.00 0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.88 2oqp h SER 99 Cb 0.00 -0.14 0.15 0.00 -0.31 0.00 0.00 62.40 62.10 2oqp h SER 99 CO 0.00 0.43 0.36 -0.31 -0.87 0.00 0.00 176.83 176.44 2oqp s TYR 100 N -5.69 1.54 0.00 4.77 2.02 -1.26 -5.08 117.35 113.65 2oqp s TYR 100 Ca -0.10 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2oqp s TYR 100 Cb 0.20 -3.90 0.00 0.00 -0.40 0.00 0.00 41.96 37.85 2oqp s TYR 100 CO 0.77 -2.49 0.00 -1.91 -1.57 0.00 0.00 175.55 170.36 2oqp n GLU 101 N -3.59 0.00 0.00 -0.62 4.07 -1.26 -5.05 120.64 114.19 2oqp n GLU 101 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 2oqp n GLU 101 Cb 0.60 -0.12 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 2oqp n GLU 101 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2oqp n LYS 102 N -1.83 0.00 -3.75 5.31 -0.00 -1.25 -4.42 118.16 112.22 2oqp n LYS 102 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2oqp n LYS 102 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2oqp n LYS 102 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2oqp s LYS 103 N 1.10 0.46 1.00 -1.58 1.02 0.46 -4.50 119.74 117.69 2oqp s LYS 103 Ca 0.00 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.57 2oqp s LYS 103 Cb 0.00 0.14 0.19 0.00 -0.52 0.00 0.00 37.83 37.64 2oqp s LYS 103 CO 0.00 -0.21 1.18 -1.25 -0.92 0.00 0.00 175.35 174.15 2oqp s PRO 104 N -2.30 0.42 -0.05 -1.68 0.04 -1.26 -3.02 135.00 127.16 2oqp s PRO 104 Ca 0.19 0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.18 2oqp s PRO 104 Cb 0.03 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 2oqp s PRO 104 CO -0.02 -2.63 0.36 -1.00 0.04 0.00 0.00 177.00 173.75 2oqp h PRO 105 N -1.81 -0.27 -1.00 0.56 0.13 -1.90 0.79 132.00 128.51 2oqp h PRO 105 Ca -0.47 0.02 0.40 0.00 -0.87 0.00 0.00 66.00 65.08 2oqp h PRO 105 Cb 1.30 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.31 2oqp h PRO 105 CO 0.49 -0.18 0.53 1.57 -0.23 0.00 0.00 178.00 180.18 2oqp h LYS 106 N -0.88 0.04 0.19 0.86 2.10 -1.97 0.37 116.57 117.27 2oqp h LYS 106 Ca -0.03 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2oqp h LYS 106 Cb 0.21 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2oqp h LYS 106 CO 0.05 0.03 -0.09 0.93 -2.00 0.00 0.00 179.45 178.36 2oqp h GLU 107 N 0.04 -0.24 -1.50 0.07 5.08 -1.96 -0.80 114.58 115.27 2oqp h GLU 107 Ca 0.83 0.02 0.50 0.00 -1.00 0.00 0.00 59.36 59.70 2oqp h GLU 107 Cb 2.14 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 31.32 2oqp h GLU 107 CO -0.75 -0.16 0.99 0.35 -1.00 0.00 0.00 179.01 178.44 2oqp h PHE 108 N -0.81 0.41 0.11 4.33 3.57 0.11 1.51 116.94 126.17 2oqp h PHE 108 Ca -0.03 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.33 2oqp h PHE 108 Cb 0.19 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 38.85 2oqp h PHE 108 CO 0.01 -0.23 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.07 2oqp h LEU 109 N 0.00 0.38 -2.53 0.59 -0.00 -0.42 -1.14 115.31 112.19 2oqp h LEU 109 Ca 0.90 -0.95 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2oqp h LEU 109 Cb 3.03 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 43.56 2oqp h LEU 109 CO -0.38 1.34 -0.02 -0.33 -0.00 0.00 0.00 178.44 179.05 2oqp h GLU 110 N -0.48 0.00 0.05 1.13 4.39 0.32 0.67 114.58 120.66 2oqp h GLU 110 Ca -0.13 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.31 2oqp h GLU 110 Cb 1.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 2oqp h GLU 110 CO 0.12 0.02 -1.38 -0.09 -1.16 0.00 0.00 179.01 176.52 2oqp h ARG 111 N 0.00 0.11 0.85 2.33 1.12 0.71 -3.25 114.38 116.25 2oqp h ARG 111 Ca -0.00 -0.19 -0.04 0.00 -1.11 0.00 0.00 59.98 58.64 2oqp h ARG 111 Cb 0.10 0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.14 2oqp h ARG 111 CO 0.00 1.09 -0.41 0.35 -3.11 0.00 0.00 179.97 177.90 2oqp h PHE 112 N -0.62 -1.05 -0.57 2.20 3.04 -0.73 0.80 116.94 120.01 2oqp h PHE 112 Ca -0.34 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 61.70 2oqp h PHE 112 Cb 1.54 0.35 -0.11 0.00 2.56 0.00 0.00 35.95 40.29 2oqp h PHE 112 CO 0.11 -0.65 -0.18 -0.22 -2.02 0.00 0.00 178.31 175.34 2oqp h LYS 113 N -1.14 -0.04 0.77 1.11 3.64 -1.09 -0.15 116.57 119.66 2oqp h LYS 113 Ca -0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 2oqp h LYS 113 Cb 0.87 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2oqp h LYS 113 CO 0.19 -0.03 -0.37 1.03 -2.27 0.00 0.00 179.45 178.00 2oqp h SER 114 N -0.05 -0.87 -1.59 4.20 0.87 -1.55 -1.26 113.55 113.31 2oqp h SER 114 Ca 0.27 0.02 0.51 0.00 -1.23 0.00 0.00 61.79 61.36 2oqp h SER 114 Cb 0.46 0.23 -0.12 0.00 -0.44 0.00 0.00 62.40 62.52 2oqp h SER 114 CO -0.61 -0.59 1.07 -0.11 -0.53 0.00 0.00 176.83 176.07 2oqp n LEU 115 N -5.51 0.14 0.08 2.23 -0.00 0.28 0.24 117.00 114.46 2oqp n LEU 115 Ca -0.14 1.26 -0.04 0.00 -0.00 0.00 0.00 56.01 57.09 2oqp n LEU 115 Cb 0.42 -0.62 -0.02 0.00 -0.00 0.00 0.00 43.42 43.20 2oqp n LEU 115 CO 0.37 -1.34 0.17 -0.07 -0.00 0.00 0.00 177.39 176.53 2oqp h LEU 116 N 0.00 -0.22 0.00 -1.96 3.38 -0.37 -1.36 115.31 114.78 2oqp h LEU 116 Ca 0.91 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.88 2oqp h LEU 116 Cb 3.17 0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.98 2oqp h LEU 116 CO -0.32 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.25 2oqp n GLN 117 N -3.77 0.03 0.00 1.13 -0.00 0.99 0.26 117.38 116.02 2oqp n GLN 117 Ca -0.03 0.30 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 2oqp n GLN 117 Cb 0.10 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.84 2oqp n GLN 117 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2oqp n LYS 118 N -1.33 0.00 -0.04 2.61 5.02 0.66 -4.43 118.16 120.66 2oqp n LYS 118 Ca 0.01 0.26 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 2oqp n LYS 118 Cb 0.02 -0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.29 2oqp n LYS 118 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2oqp h MET 119 N 0.00 0.00 -0.80 1.97 4.05 -1.09 -3.34 114.93 115.71 2oqp h MET 119 Ca 0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2oqp h MET 119 Cb 0.00 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 30.69 2oqp h MET 119 CO 0.00 0.00 -0.41 -0.89 0.23 0.00 0.00 176.91 175.84 2oqp n ILE 120 N -3.55 -0.50 -0.36 1.77 -0.00 -0.13 0.13 119.36 116.73 2oqp n ILE 120 Ca -0.03 1.92 -0.04 0.00 -0.00 0.00 0.00 62.75 64.60 2oqp n ILE 120 Cb 0.11 -2.44 0.01 0.00 -0.00 0.00 0.00 39.64 37.32 2oqp n ILE 120 CO 0.00 0.00 0.00 -0.74 -0.00 0.00 0.00 176.55 175.81 2oqp h HIS 121 N 0.00 -1.24 -0.95 1.39 2.76 -0.40 1.19 115.15 117.90 2oqp h HIS 121 Ca 0.19 0.11 0.39 0.00 -2.20 0.00 0.00 60.37 58.86 2oqp h HIS 121 Cb 0.39 0.67 -0.16 0.00 1.55 0.00 0.00 27.41 29.86 2oqp h HIS 121 CO -0.78 -0.40 0.52 1.04 -1.30 0.00 0.00 177.93 177.02 2oqp n GLN 122 N -5.43 -0.05 -0.34 5.26 1.13 0.35 0.11 117.38 118.41 2oqp n GLN 122 Ca 0.08 1.26 0.12 0.00 -1.94 0.00 0.00 57.00 56.52 2oqp n GLN 122 Cb 0.37 -2.29 0.25 0.00 0.11 0.00 0.00 30.24 28.68 2oqp n GLN 122 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2oqp n HIS 123 N -5.04 0.55 0.12 1.08 -0.00 0.41 0.13 115.22 112.47 2oqp n HIS 123 Ca 0.35 1.18 -0.13 0.00 0.46 0.00 0.00 57.72 59.58 2oqp n HIS 123 Cb 1.21 -1.19 -0.07 0.00 -0.12 0.00 0.00 29.99 29.82 2oqp n HIS 123 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2oqp h LEU 124 N 0.00 -0.23 0.00 0.27 -0.00 0.63 -3.47 115.31 112.51 2oqp h LEU 124 Ca 0.56 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.45 2oqp h LEU 124 Cb 1.09 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2oqp h LEU 124 CO -0.94 -0.15 0.00 -0.24 -0.00 0.00 0.00 178.44 177.10 2oqp n SER 125 N -5.21 0.00 -3.24 -0.43 2.88 0.35 -5.12 113.62 102.86 2oqp n SER 125 Ca -0.08 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.41 2oqp n SER 125 Cb 0.13 0.18 0.02 0.00 -0.75 0.00 0.00 64.21 63.79 2oqp n SER 125 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2oqp s SER 126 N 0.24 0.02 0.86 -3.46 0.15 -1.23 -4.74 113.70 105.53 2oqp s SER 126 Ca 0.00 -0.79 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 2oqp s SER 126 Cb 0.00 0.57 0.11 0.00 -1.71 0.00 0.00 66.02 64.99 2oqp s SER 126 CO 0.00 -1.14 1.10 -0.60 1.20 0.00 0.00 173.24 173.80 2oqp s ARG 127 N -2.10 1.58 -0.66 5.44 3.52 -1.26 -4.67 118.95 120.81 2oqp s ARG 127 Ca 0.21 0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 56.23 2oqp s ARG 127 Cb -0.03 -1.86 -0.00 0.00 -1.56 0.00 0.00 34.95 31.50 2oqp s ARG 127 CO 0.07 -1.98 1.64 0.99 -0.81 0.00 0.00 175.30 175.21 2oqp s THR 128 N -3.06 3.50 1.13 4.11 2.01 -1.26 -4.97 115.64 117.09 2oqp s THR 128 Ca 0.62 0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 2oqp s THR 128 Cb -0.16 -4.30 0.13 0.00 0.01 0.00 0.00 72.50 68.18 2oqp s THR 128 CO 0.55 -1.25 0.15 0.00 -0.69 0.00 0.00 174.62 173.38 2oqp n HIS 129 N 11.46 -1.41 -2.75 4.92 1.44 -1.26 -4.78 115.22 122.84 2oqp n HIS 129 Ca 0.14 0.10 0.01 0.00 -2.01 0.00 0.00 57.72 55.95 2oqp n HIS 129 Cb 0.51 -1.59 -0.00 0.00 0.12 0.00 0.00 29.99 29.03 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2oqp n GLY 130 N 1.88 -2.09 3.67 -1.39 0.00 -1.26 -4.95 105.19 101.05 2oqp n GLY 130 Ca 0.01 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 2oqp n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oqp s SER 131 N -3.47 4.72 0.16 1.61 0.01 -1.26 -5.01 113.70 110.46 2oqp s SER 131 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2oqp s SER 131 Cb 0.00 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2oqp s SER 131 CO 0.00 0.02 0.00 -1.84 0.41 0.00 0.00 173.24 171.83 2oqp n GLU 132 N -0.69 0.00 -3.97 12.44 0.28 -1.26 -5.15 120.64 122.29 2oqp n GLU 132 Ca -0.08 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.82 2oqp n GLU 132 Cb 0.58 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.33 2oqp n GLU 132 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2oqp s ASP 133 N -1.38 0.25 0.00 -1.84 2.15 -1.26 -5.33 116.67 109.26 2oqp s ASP 133 Ca 0.00 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.62 2oqp s ASP 133 Cb 0.00 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 2oqp s ASP 133 CO 0.00 -0.20 0.00 -1.20 -0.17 0.00 0.00 175.17 173.60