#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqp s GLN 2 N 0.00 0.99 0.00 0.03 -0.21 -1.26 -5.12 119.66 114.10 2oqp s GLN 2 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.92 2oqp s GLN 2 Cb 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 33.01 33.86 2oqp s GLN 2 CO 0.00 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 2oqp n GLY 3 N -0.16 -2.50 3.19 3.09 0.00 -1.26 -5.07 105.19 102.47 2oqp n GLY 3 Ca -0.08 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.82 2oqp n GLY 3 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2oqp s GLN 4 N -0.73 0.05 -0.01 1.61 0.74 -1.26 -5.15 119.66 114.91 2oqp s GLN 4 Ca 0.00 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.54 2oqp s GLN 4 Cb 0.00 0.08 0.01 0.00 1.10 0.00 0.00 33.01 34.19 2oqp s GLN 4 CO 0.00 -0.03 -0.02 0.34 -0.55 0.00 0.00 175.29 175.03 2oqp s ASP 5 N 2.29 0.37 0.57 6.67 -1.08 -1.26 -5.01 116.67 119.22 2oqp s ASP 5 Ca -0.02 -0.05 0.31 0.00 -0.52 0.00 0.00 52.55 52.28 2oqp s ASP 5 Cb -0.03 -0.10 1.45 0.00 -1.46 0.00 0.00 42.92 42.79 2oqp s ASP 5 CO -0.14 -0.01 1.84 0.03 0.52 0.00 0.00 175.17 177.41 2oqp h ARG 6 N 6.45 0.00 0.05 4.34 -0.00 -2.02 -1.45 114.38 121.75 2oqp h ARG 6 Ca -0.32 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.16 2oqp h ARG 6 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 2oqp h ARG 6 CO 0.50 0.00 -0.02 0.45 0.00 0.00 0.00 179.97 180.89 2oqp h HIS 7 N 0.00 -0.06 -0.89 3.04 3.86 -2.01 -3.28 115.15 115.81 2oqp h HIS 7 Ca 0.37 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.72 2oqp h HIS 7 Cb 1.67 0.02 -0.15 0.00 1.06 0.00 0.00 27.41 30.01 2oqp h HIS 7 CO 0.00 -0.04 -0.33 -1.33 0.86 0.00 0.00 177.93 177.09 2oqp n MET 8 N -2.40 -0.19 -0.34 2.45 2.81 -0.83 0.18 117.12 118.81 2oqp n MET 8 Ca -0.01 1.38 0.20 0.00 -1.81 0.00 0.00 57.70 57.47 2oqp n MET 8 Cb 0.02 -2.05 0.39 0.00 -0.71 0.00 0.00 33.22 30.87 2oqp n MET 8 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2oqp n ILE 9 N -5.34 -0.42 -0.15 2.02 5.41 -0.61 0.19 119.36 120.47 2oqp n ILE 9 Ca 0.10 2.13 -0.12 0.00 1.00 0.00 0.00 62.75 65.86 2oqp n ILE 9 Cb 0.37 -3.22 -0.09 0.00 -0.71 0.00 0.00 39.64 35.99 2oqp n ILE 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2oqp h ARG 10 N 0.00 -0.31 0.03 0.38 1.12 0.18 0.99 114.38 116.78 2oqp h ARG 10 Ca 0.68 0.02 -0.24 0.00 -1.11 0.00 0.00 59.98 59.34 2oqp h ARG 10 Cb 1.57 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.60 2oqp h ARG 10 CO -0.88 -0.20 -1.01 0.00 -3.11 0.00 0.00 179.97 174.76 2oqp h MET 11 N -0.32 0.38 -0.37 0.20 -0.00 -0.36 -2.93 114.93 111.54 2oqp h MET 11 Ca 0.07 -0.45 0.06 0.00 -0.00 0.00 0.00 59.70 59.39 2oqp h MET 11 Cb 0.51 0.14 -0.06 0.00 -0.00 0.00 0.00 31.60 32.19 2oqp h MET 11 CO -0.56 1.13 0.02 0.00 -0.00 0.00 0.00 176.91 177.50 2oqp h ARG 12 N 0.19 0.12 0.00 -0.10 3.08 0.29 0.92 114.38 118.89 2oqp h ARG 12 Ca -0.09 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 2oqp h ARG 12 Cb 1.67 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 2oqp h ARG 12 CO 0.17 0.08 -0.24 -0.56 -1.07 0.00 0.00 179.97 178.36 2oqp h GLN 13 N 0.13 0.00 0.04 0.04 3.07 0.94 -0.03 115.11 119.29 2oqp h GLN 13 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.92 2oqp h GLN 13 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2oqp h GLN 13 CO -0.28 0.24 -0.02 -0.07 0.09 0.00 0.00 178.83 178.79 2oqp h LEU 14 N 0.00 -0.04 -0.63 0.06 -0.00 -0.67 0.37 115.31 114.39 2oqp h LEU 14 Ca -0.00 -0.17 -0.14 0.00 -0.00 0.00 0.00 57.88 57.56 2oqp h LEU 14 Cb 0.65 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 2oqp h LEU 14 CO 0.03 0.15 -0.68 0.40 -0.00 0.00 0.00 178.44 178.33 2oqp h ILE 15 N -0.23 1.49 0.72 1.22 5.03 -1.04 -1.75 117.51 122.93 2oqp h ILE 15 Ca -0.01 -2.33 -0.04 0.00 -0.12 0.00 0.00 64.86 62.37 2oqp h ILE 15 Cb 0.21 2.26 0.01 0.00 -3.03 0.00 0.00 36.82 36.27 2oqp h ILE 15 CO 0.01 0.67 -0.34 -0.78 -0.68 0.00 0.00 178.15 177.02 2oqp h ASP 16 N 0.01 -0.81 -0.74 1.72 3.58 -0.72 -1.72 116.42 117.73 2oqp h ASP 16 Ca -0.01 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.52 2oqp h ASP 16 Cb 1.21 0.21 -0.06 0.00 1.72 0.00 0.00 39.33 42.41 2oqp h ASP 16 CO 0.09 -0.47 0.42 0.16 -2.88 0.00 0.00 179.24 176.57 2oqp h ILE 17 N -1.17 0.96 -0.08 2.25 -0.00 -0.30 0.26 117.51 119.44 2oqp h ILE 17 Ca -0.10 -0.26 0.01 0.00 -0.00 0.00 0.00 64.86 64.51 2oqp h ILE 17 Cb 0.76 0.14 -0.03 0.00 -0.00 0.00 0.00 36.82 37.69 2oqp h ILE 17 CO 0.16 0.14 -0.23 0.58 -0.00 0.00 0.00 178.15 178.80 2oqp h VAL 18 N 0.76 0.00 -0.94 0.16 2.07 -1.21 0.47 116.25 117.56 2oqp h VAL 18 Ca 0.34 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 2oqp h VAL 18 Cb 0.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2oqp h VAL 18 CO -0.20 0.00 0.60 0.44 0.02 0.00 0.00 177.57 178.44 2oqp h ASP 19 N -0.23 0.89 -0.32 0.57 3.32 -0.99 0.46 116.42 120.11 2oqp h ASP 19 Ca 0.02 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.18 2oqp h ASP 19 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2oqp h ASP 19 CO -0.20 0.53 0.23 -0.61 -1.72 0.00 0.00 179.24 177.47 2oqp h GLN 20 N 0.98 0.00 0.11 3.56 5.75 0.13 1.32 115.11 126.97 2oqp h GLN 20 Ca 0.43 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.58 2oqp h GLN 20 Cb 0.35 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2oqp h GLN 20 CO -0.19 0.00 -1.91 1.37 -2.65 0.00 0.00 178.83 175.45 2oqp h LEU 21 N 0.00 0.35 -1.12 -2.39 8.10 0.33 -3.35 115.31 117.23 2oqp h LEU 21 Ca 0.15 -0.76 -0.08 0.00 0.11 0.00 0.00 57.88 57.30 2oqp h LEU 21 Cb 0.62 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2oqp h LEU 21 CO -0.00 1.68 -0.24 0.50 -4.11 0.00 0.00 178.44 176.27 2oqp h LYS 22 N 0.06 0.32 0.00 0.17 3.64 0.97 -0.82 116.57 120.91 2oqp h LYS 22 Ca -0.38 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2oqp h LYS 22 Cb 2.04 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2oqp h LYS 22 CO 0.10 0.55 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 2oqp n ASN 23 N -4.16 0.22 -0.99 4.20 4.13 0.44 -1.02 115.26 118.09 2oqp n ASN 23 Ca -0.01 0.58 -0.01 0.00 1.68 0.00 0.00 54.58 56.83 2oqp n ASN 23 Cb 0.37 -0.62 0.20 0.00 -1.54 0.00 0.00 39.78 38.20 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 -1.77 0.84 -0.37 3.10 4.01 -0.32 -4.71 117.16 117.95 2oqp n TYR 24 Ca 0.01 -1.48 0.33 0.00 -0.16 0.00 0.00 57.90 56.61 2oqp n TYR 24 Cb 0.10 -0.42 0.68 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 1.03 0.38 -0.45 -0.72 2.07 -1.08 1.75 116.25 119.22 2oqp h VAL 25 Ca 0.15 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.76 2oqp h VAL 25 Cb 1.50 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2oqp h VAL 25 CO 0.29 0.02 0.42 -1.13 0.02 0.00 0.00 177.57 177.19 2oqp h ASN 26 N 0.12 0.00 -1.07 0.57 -1.24 -1.85 0.33 115.58 112.45 2oqp h ASN 26 Ca 0.63 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 57.03 2oqp h ASN 26 Cb 2.21 0.00 -0.38 0.00 0.73 0.00 0.00 38.32 40.88 2oqp h ASN 26 CO -0.13 0.00 -0.25 0.47 -1.29 0.00 0.00 177.43 176.23 2oqp n ASP 27 N -3.93 5.75 -4.15 1.15 9.92 0.59 -4.84 116.55 121.03 2oqp n ASP 27 Ca 0.08 -3.76 -0.31 0.00 -0.53 0.00 0.00 54.79 50.27 2oqp n ASP 27 Cb 0.61 -0.57 -0.17 0.00 -0.64 0.00 0.00 41.12 40.35 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 -3.68 2.00 -0.22 0.64 1.43 0.12 -1.73 118.68 117.23 2oqp s LEU 28 Ca 0.54 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 2oqp s LEU 28 Cb 0.43 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 2oqp s LEU 28 CO -0.06 0.09 0.45 0.54 0.23 0.00 0.00 176.35 177.61 2oqp s VAL 29 N 0.67 5.14 -0.45 -1.59 0.11 -0.32 -4.38 120.40 119.59 2oqp s VAL 29 Ca -0.12 0.79 -0.28 0.00 -2.93 0.00 0.00 61.98 59.44 2oqp s VAL 29 Cb -0.16 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 30.92 2oqp s VAL 29 CO 0.02 0.18 1.43 -2.16 -3.33 0.00 0.00 175.10 171.25 2oqp s PRO 30 N 1.70 3.47 0.18 1.54 0.04 -1.26 -4.60 135.00 136.07 2oqp s PRO 30 Ca 0.20 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2oqp s PRO 30 Cb -0.15 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 30.28 2oqp s PRO 30 CO 0.09 -1.70 -0.05 -1.83 0.04 0.00 0.00 177.00 173.54 2oqp s GLU 31 N 5.16 1.16 -0.53 4.56 -1.05 -1.26 -5.03 118.70 121.72 2oqp s GLU 31 Ca 0.60 -1.54 -0.27 0.00 -0.15 0.00 0.00 54.97 53.61 2oqp s GLU 31 Cb -0.13 -0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 32.94 2oqp s GLU 31 CO 0.31 -0.01 2.08 -0.06 0.95 0.00 0.00 175.26 178.52 2oqp s PHE 32 N -3.40 1.43 -0.11 4.83 0.08 -1.26 -4.58 117.98 114.97 2oqp s PHE 32 Ca 0.22 1.06 0.01 0.00 0.12 0.00 0.00 56.93 58.34 2oqp s PHE 32 Cb 0.04 -3.89 -0.01 0.00 -0.57 0.00 0.00 43.02 38.58 2oqp s PHE 32 CO 0.04 -2.52 -0.15 -0.51 -0.10 0.00 0.00 175.22 171.98 2oqp s LEU 33 N 10.05 2.60 -0.01 -0.37 1.02 -1.00 -4.93 118.68 126.04 2oqp s LEU 33 Ca 0.81 -0.35 -0.30 0.00 0.02 0.00 0.00 54.13 54.31 2oqp s LEU 33 Cb -0.16 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 2oqp s LEU 33 CO 0.24 0.19 1.20 -2.16 0.02 0.00 0.00 176.35 175.84 2oqp s PRO 34 N 0.18 4.39 -0.03 1.29 0.04 -1.26 0.24 135.00 139.85 2oqp s PRO 34 Ca -0.09 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.69 2oqp s PRO 34 Cb -0.15 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2oqp s PRO 34 CO 0.05 -0.37 -0.11 0.00 0.04 0.00 0.00 177.00 176.62 2oqp s ALA 35 N 1.77 1.01 0.51 8.56 0.00 -1.26 -4.53 121.76 127.82 2oqp s ALA 35 Ca 0.57 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 2oqp s ALA 35 Cb -0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 2oqp s ALA 35 CO 0.25 0.17 1.04 -1.25 0.00 0.00 0.00 175.76 175.97 2oqp s PRO 36 N 0.15 3.69 -0.23 0.00 0.04 -1.26 -4.37 135.00 133.02 2oqp s PRO 36 Ca -0.03 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2oqp s PRO 36 Cb -0.09 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.42 2oqp s PRO 36 CO 0.01 -0.51 -0.06 -1.83 0.04 0.00 0.00 177.00 174.64 2oqp s GLU 37 N -3.47 1.71 -0.22 4.56 -1.05 -1.26 -4.91 118.70 114.06 2oqp s GLU 37 Ca 0.66 -0.99 -0.02 0.00 -0.15 0.00 0.00 54.97 54.47 2oqp s GLU 37 Cb -0.16 -2.58 0.01 0.00 -0.44 0.00 0.00 34.13 30.96 2oqp s GLU 37 CO 0.24 -0.57 0.04 -0.25 0.95 0.00 0.00 175.26 175.67 2oqp n ASP 38 N 4.66 -6.50 -4.75 0.83 8.00 -1.26 -4.98 116.55 112.55 2oqp n ASP 38 Ca -0.12 1.22 -0.36 0.00 0.71 0.00 0.00 54.79 56.24 2oqp n ASP 38 Cb 0.44 -4.47 -0.08 0.00 -0.02 0.00 0.00 41.12 36.99 2oqp n ASP 38 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oqp s VAL 39 N -1.29 4.82 1.03 2.53 -7.23 -1.26 -5.04 120.40 113.96 2oqp s VAL 39 Ca -0.05 -0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 59.94 2oqp s VAL 39 Cb 0.00 -3.08 0.12 0.00 0.56 0.00 0.00 36.38 33.98 2oqp s VAL 39 CO 0.61 0.59 0.58 1.21 -0.31 0.00 0.00 175.10 177.78 2oqp n GLU 40 N 2.32 -1.04 0.22 4.82 2.13 -1.26 -4.51 120.64 123.32 2oqp n GLU 40 Ca -0.19 -0.26 0.18 0.00 0.66 0.00 0.00 57.16 57.55 2oqp n GLU 40 Cb 0.54 -1.99 0.85 0.00 0.27 0.00 0.00 31.44 31.11 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 -1.96 0.32 -0.25 6.31 2.02 -2.03 0.28 112.91 117.60 2oqp h THR 41 Ca -0.49 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.51 2oqp h THR 41 Cb 1.31 0.79 -0.14 0.00 -1.74 0.00 0.00 68.15 68.37 2oqp h THR 41 CO 0.39 0.00 -0.55 0.59 0.37 0.00 0.00 175.52 176.32 2oqp n ASN 42 N -3.56 2.76 -0.00 4.18 3.02 -1.26 -4.57 115.26 115.82 2oqp n ASN 42 Ca 0.02 -3.86 -0.00 0.00 -0.03 0.00 0.00 54.58 50.71 2oqp n ASN 42 Cb 0.36 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.51 -0.01 0.17 0.00 1.02 -0.99 0.12 120.64 118.43 2oqp n GLU 44 Ca -0.00 0.95 -0.07 0.00 -0.02 0.00 0.00 57.16 58.02 2oqp n GLU 44 Cb 0.50 -2.09 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 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 -0.42 -0.25 -0.32 4.06 -1.87 -1.55 115.95 115.59 2oqp h TRP 45 Ca 0.78 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.79 2oqp h TRP 45 Cb 2.94 0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 31.23 2oqp h TRP 45 CO -0.00 -0.26 0.47 1.03 -3.56 0.00 0.00 178.44 176.12 2oqp h SER 46 N -0.70 0.00 0.88 -3.49 0.87 0.81 1.50 113.55 113.42 2oqp h SER 46 Ca -0.05 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.34 2oqp h SER 46 Cb 0.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2oqp h SER 46 CO 0.08 0.00 -0.83 0.00 -0.53 0.00 0.00 176.83 175.54 2oqp h ALA 47 N 1.29 0.60 -1.03 6.23 0.00 -0.29 -3.20 119.26 122.86 2oqp h ALA 47 Ca 0.12 -0.76 0.26 0.00 0.00 0.00 0.00 54.91 54.53 2oqp h ALA 47 Cb 1.06 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2oqp h ALA 47 CO -0.00 1.04 0.67 0.35 0.00 0.00 0.00 179.25 181.31 2oqp h PHE 48 N 0.00 0.65 0.00 0.00 3.57 0.32 1.46 116.94 122.94 2oqp h PHE 48 Ca -0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2oqp h PHE 48 Cb 1.50 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 2oqp h PHE 48 CO 0.00 0.07 -0.16 0.66 -2.23 0.00 0.00 178.31 176.65 2oqp h SER 49 N 0.40 0.00 0.08 0.41 4.64 -1.62 -1.19 113.55 116.27 2oqp h SER 49 Ca 0.59 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.79 2oqp h SER 49 Cb 1.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 2oqp h SER 49 CO -0.29 0.16 -0.38 0.00 -0.87 0.00 0.00 176.83 175.45 2oqp n PHE 51 N -4.04 0.00 -0.08 0.00 3.72 -0.66 -2.74 117.46 113.65 2oqp n PHE 51 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 2oqp n PHE 51 Cb 0.48 -0.28 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 2oqp n PHE 51 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2oqp h GLN 52 N 0.12 0.00 -0.19 -1.08 4.15 -0.66 -3.36 115.11 114.10 2oqp h GLN 52 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 2oqp h GLN 52 Cb 0.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2oqp h GLN 52 CO 0.00 0.62 -0.22 1.57 -1.93 0.00 0.00 178.83 178.87 2oqp h LYS 53 N -1.00 0.33 0.00 1.69 2.10 -1.28 -3.24 116.57 115.18 2oqp h LYS 53 Ca -0.16 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2oqp h LYS 53 Cb 0.90 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 2oqp h LYS 53 CO -0.10 0.54 0.00 0.00 -2.00 0.00 0.00 179.45 177.89 2oqp n ALA 54 N -2.48 -0.07 -0.87 0.07 0.00 -1.11 -4.97 120.51 111.07 2oqp n ALA 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2oqp n ALA 54 Cb 0.35 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.35 -1.66 -3.42 0.00 7.27 -1.22 -4.92 117.38 111.08 2oqp n GLN 55 Ca 0.00 1.45 -0.36 0.00 0.07 0.00 0.00 57.00 58.16 2oqp n GLN 55 Cb 0.00 -1.28 -0.06 0.00 2.41 0.00 0.00 30.24 31.31 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 -0.43 4.41 0.02 1.69 1.98 -1.26 -5.01 118.68 120.08 2oqp s LEU 56 Ca 0.00 1.03 0.07 0.00 -2.89 0.00 0.00 54.13 52.35 2oqp s LEU 56 Cb 0.00 -2.99 -0.02 0.00 0.66 0.00 0.00 46.19 43.83 2oqp s LEU 56 CO 0.00 0.20 -0.22 -0.75 -1.89 0.00 0.00 176.35 173.69 2oqp s LYS 57 N -1.60 1.60 0.57 1.98 2.47 -1.26 -4.96 119.74 118.54 2oqp s LYS 57 Ca 0.32 -0.90 -0.08 0.00 -1.56 0.00 0.00 55.97 53.74 2oqp s LYS 57 Cb -0.16 -1.66 -0.03 0.00 -1.46 0.00 0.00 37.83 34.52 2oqp s LYS 57 CO 0.18 0.44 0.93 0.45 0.16 0.00 0.00 175.35 177.50 2oqp s SER 58 N -0.93 6.16 0.00 1.43 0.15 -1.26 -1.17 113.70 118.08 2oqp s SER 58 Ca 0.08 1.16 0.16 0.00 0.70 0.00 0.00 55.95 58.05 2oqp s SER 58 Cb -0.09 -2.30 0.76 0.00 -1.71 0.00 0.00 66.02 62.68 2oqp s SER 58 CO 0.01 -0.79 1.46 0.00 1.20 0.00 0.00 173.24 175.12 2oqp n ALA 59 N -2.56 1.83 -1.09 5.45 0.00 -0.71 -4.01 120.51 119.43 2oqp n ALA 59 Ca 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2oqp n ALA 59 Cb 0.55 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.34 -3.43 0.08 0.00 3.02 -1.26 -4.89 115.26 107.43 2oqp n ASN 60 Ca 0.07 0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.81 2oqp n ASN 60 Cb 0.14 -1.20 0.60 0.00 -0.61 0.00 0.00 39.78 38.72 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 0.00 0.91 0.00 3.41 1.35 -1.89 -3.46 112.91 113.23 2oqp h THR 61 Ca -0.06 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2oqp h THR 61 Cb 0.22 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2oqp h THR 61 CO 0.09 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 2oqp n GLY 62 N -1.56 2.66 0.00 5.82 0.00 -1.26 -4.88 105.19 105.96 2oqp n GLY 62 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2oqp n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2oqp n ASN 63 N 0.94 0.00 -2.49 1.61 3.02 -1.26 -3.29 115.26 113.79 2oqp n ASN 63 Ca 0.00 0.71 -0.35 0.00 -0.03 0.00 0.00 54.58 54.91 2oqp n ASN 63 Cb 0.00 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2oqp n ASN 64 N -1.35 7.26 -0.04 6.41 5.03 -1.26 -4.59 115.26 126.72 2oqp n ASN 64 Ca 0.00 -3.80 -0.03 0.00 0.87 0.00 0.00 54.58 51.62 2oqp n ASN 64 Cb 0.00 -0.92 -0.01 0.00 -1.02 0.00 0.00 39.78 37.83 2oqp n ASN 64 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2oqp h GLU 65 N 2.36 0.00 0.00 3.52 4.81 -1.89 -2.98 114.58 120.39 2oqp h GLU 65 Ca 0.56 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2oqp h GLU 65 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2oqp h GLU 65 CO 1.44 0.00 -0.00 0.07 -0.73 0.00 0.00 179.01 179.78 2oqp h ARG 66 N -0.63 0.00 0.05 1.92 0.11 -1.81 -1.49 114.38 112.53 2oqp h ARG 66 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2oqp h ARG 66 Cb 0.31 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.40 2oqp h ARG 66 CO 0.00 0.00 -0.40 0.97 0.10 0.00 0.00 179.97 180.64 2oqp h ILE 67 N 0.00 1.60 -0.96 0.08 -0.00 -1.84 -3.22 117.51 113.17 2oqp h ILE 67 Ca -0.00 -2.27 0.26 0.00 -0.00 0.00 0.00 64.86 62.85 2oqp h ILE 67 Cb 0.01 3.08 -0.06 0.00 -0.00 0.00 0.00 36.82 39.85 2oqp h ILE 67 CO 0.00 0.62 0.66 0.40 -0.00 0.00 0.00 178.15 179.83 2oqp h ILE 68 N -0.56 0.56 0.00 2.19 5.03 -1.11 1.90 117.51 125.52 2oqp h ILE 68 Ca -0.06 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 2oqp h ILE 68 Cb 1.24 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 2oqp h ILE 68 CO 0.08 0.03 0.00 -3.20 -0.68 0.00 0.00 178.15 174.38 2oqp n ASN 69 N -4.39 0.57 0.09 1.72 5.15 -1.04 -0.12 115.26 117.24 2oqp n ASN 69 Ca 0.21 0.74 -0.04 0.00 -0.60 0.00 0.00 54.58 54.89 2oqp n ASN 69 Cb 0.91 -0.82 -0.05 0.00 -0.53 0.00 0.00 39.78 39.29 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 1.48 0.20 3.44 -1.51 0.29 -2.84 116.25 117.31 2oqp h VAL 70 Ca 0.00 -2.99 -0.35 0.00 -1.23 0.00 0.00 66.70 62.13 2oqp h VAL 70 Cb 0.06 2.67 0.01 0.00 -2.13 0.00 0.00 31.29 31.90 2oqp h VAL 70 CO 0.00 0.82 -1.70 0.28 -1.23 0.00 0.00 177.57 175.74 2oqp h SER 71 N 0.00 0.66 0.55 4.19 0.02 -0.56 -3.30 113.55 115.11 2oqp h SER 71 Ca -0.01 -0.92 -0.02 0.00 -0.84 0.00 0.00 61.79 60.00 2oqp h SER 71 Cb 1.60 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 2oqp h SER 71 CO 0.11 1.77 -0.44 0.40 -1.14 0.00 0.00 176.83 177.53 2oqp h ILE 72 N 0.12 0.12 -0.95 3.27 2.04 -1.33 1.52 117.51 122.30 2oqp h ILE 72 Ca -0.33 0.00 0.26 0.00 1.00 0.00 0.00 64.86 65.79 2oqp h ILE 72 Cb 2.11 0.12 -0.17 0.00 -0.74 0.00 0.00 36.82 38.14 2oqp h ILE 72 CO 0.20 0.00 0.05 0.11 0.00 0.00 0.00 178.15 178.51 2oqp h LYS 73 N -0.97 0.04 0.28 2.37 1.57 -1.66 1.13 116.57 119.33 2oqp h LYS 73 Ca -0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2oqp h LYS 73 Cb 0.82 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2oqp h LYS 73 CO 0.00 0.02 -0.14 0.87 -0.57 0.00 0.00 179.45 179.64 2oqp h LYS 74 N 0.04 -0.37 -1.92 3.15 6.56 -1.44 -3.12 116.57 119.48 2oqp h LYS 74 Ca 0.58 0.02 0.56 0.00 -1.06 0.00 0.00 60.65 60.75 2oqp h LYS 74 Cb 1.18 0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 32.84 2oqp h LYS 74 CO -0.87 -0.24 1.39 1.25 -2.06 0.00 0.00 179.45 178.92 2oqp h LEU 75 N -0.79 0.00 -4.34 2.94 6.46 0.35 0.13 115.31 120.06 2oqp h LEU 75 Ca -0.04 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.37 2oqp h LEU 75 Cb 0.29 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 2oqp h LEU 75 CO 0.06 0.00 0.77 1.17 -0.62 0.00 0.00 178.44 179.82 2oqp n LYS 76 N -3.95 2.52 -1.86 1.25 4.81 0.38 -4.76 118.16 116.55 2oqp n LYS 76 Ca 0.43 -1.48 -0.30 0.00 -0.87 0.00 0.00 58.31 56.08 2oqp n LYS 76 Cb 1.97 -2.22 0.03 0.00 0.02 0.00 0.00 35.03 34.83 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2oqp s ARG 77 N 0.96 3.11 0.02 1.64 6.06 0.44 -4.97 118.95 126.21 2oqp s ARG 77 Ca 0.67 0.58 0.06 0.00 -2.50 0.00 0.00 55.73 54.54 2oqp s ARG 77 Cb 0.29 -2.04 -0.03 0.00 0.06 0.00 0.00 34.95 33.23 2oqp s ARG 77 CO -0.04 -0.88 -0.18 0.15 -2.50 0.00 0.00 175.30 171.85 2oqp s LYS 78 N -5.28 2.17 0.99 5.12 1.02 -1.26 -4.90 119.74 117.60 2oqp s LYS 78 Ca 0.57 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 55.50 2oqp s LYS 78 Cb -0.11 -2.22 0.19 0.00 -0.52 0.00 0.00 37.83 35.17 2oqp s LYS 78 CO 0.53 0.56 1.17 -1.25 -0.92 0.00 0.00 175.35 175.44 2oqp s PRO 79 N -1.21 0.50 0.00 -1.68 0.04 -1.26 -5.05 135.00 126.33 2oqp s PRO 79 Ca 0.14 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.23 2oqp s PRO 79 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2oqp s PRO 79 CO 0.04 -2.59 0.13 -0.35 0.04 0.00 0.00 177.00 174.27 2oqp n PRO 80 N -3.99 0.00 0.01 0.56 -0.04 -1.26 -4.94 135.00 125.34 2oqp n PRO 80 Ca 0.10 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2oqp n PRO 80 Cb 0.59 -0.66 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 2oqp n PRO 80 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2oqp n SER 81 N -0.62 0.05 -3.03 3.54 3.41 -1.26 -4.85 113.62 110.86 2oqp n SER 81 Ca 0.00 0.03 -0.18 0.00 -0.26 0.00 0.00 58.87 58.46 2oqp n SER 81 Cb 0.00 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 2oqp n SER 81 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2oqp n THR 82 N -2.84 2.09 -0.03 6.66 5.66 -1.26 -4.42 114.28 120.14 2oqp n THR 82 Ca 0.00 -1.23 -0.13 0.00 -3.05 0.00 0.00 64.05 59.65 2oqp n THR 82 Cb 0.26 -2.02 -0.09 0.00 -1.55 0.00 0.00 70.33 66.93 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 6.21 0.12 -4.16 1.09 -0.73 -1.90 -3.32 115.58 112.89 2oqp h ASN 83 Ca 0.40 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2oqp h ASN 83 Cb 0.23 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.78 2oqp h ASN 83 CO 1.25 0.54 -0.82 0.00 -0.37 0.00 0.00 177.43 178.03 2oqp n ALA 84 N -2.35 -2.06 -2.99 1.57 0.00 -1.26 -4.02 120.51 109.40 2oqp n ALA 84 Ca -0.07 0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.81 2oqp n ALA 84 Cb 0.26 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2oqp n ALA 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2oqp s GLY 85 N -2.48 -1.24 0.51 0.00 0.00 -1.26 -4.83 107.32 98.02 2oqp s GLY 85 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.25 2oqp s GLY 85 CO 0.00 4.13 0.00 0.54 0.00 0.00 0.00 173.10 177.77 2oqp n ARG 86 N 4.46 -3.09 -0.34 2.90 1.74 -1.26 -5.02 116.66 116.06 2oqp n ARG 86 Ca 0.08 2.38 0.04 0.00 -0.77 0.00 0.00 57.85 59.57 2oqp n ARG 86 Cb 0.60 -3.69 -0.02 0.00 -1.02 0.00 0.00 32.46 28.32 2oqp n ARG 86 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2oqp n ARG 87 N -4.26 -0.76 -0.86 5.56 0.63 -1.26 -4.91 116.66 110.80 2oqp n ARG 87 Ca -0.05 0.61 -0.35 0.00 -0.92 0.00 0.00 57.85 57.13 2oqp n ARG 87 Cb 0.68 -0.90 0.09 0.00 0.45 0.00 0.00 32.46 32.78 2oqp n ARG 87 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2oqp n GLN 88 N -2.68 -0.59 0.00 -0.14 7.27 -1.26 -4.97 117.38 115.01 2oqp n GLN 88 Ca -0.02 -0.16 0.00 0.00 0.07 0.00 0.00 57.00 56.89 2oqp n GLN 88 Cb 0.16 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.44 2oqp n GLN 88 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2oqp n LYS 89 N 0.30 0.00 0.00 3.69 4.01 -1.26 -4.97 118.16 119.92 2oqp n LYS 89 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2oqp n LYS 89 Cb 0.64 -0.62 0.00 0.00 -0.51 0.00 0.00 35.03 34.54 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2oqp n HIS 90 N -2.71 0.00 -0.13 2.13 -0.00 -1.26 -4.47 115.22 108.79 2oqp n HIS 90 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2oqp n HIS 90 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.39 2oqp n HIS 90 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2oqp n ARG 91 N 0.00 -0.13 0.00 1.57 1.74 -1.26 -4.75 116.66 113.83 2oqp n ARG 91 Ca 0.00 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 2oqp n ARG 91 Cb 0.00 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 -3.75 0.00 -3.03 0.55 4.32 -1.26 -5.09 117.00 108.74 2oqp n LEU 92 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.77 2oqp n LEU 92 Cb 0.08 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 2oqp n LEU 92 CO -0.05 0.00 -0.01 1.07 -1.22 0.00 0.00 177.39 177.18 2oqp n THR 93 N 0.00 1.72 -3.80 -5.08 5.66 -1.26 -4.79 114.28 106.73 2oqp n THR 93 Ca 0.00 -5.13 -0.37 0.00 -3.05 0.00 0.00 64.05 55.50 2oqp n THR 93 Cb 0.00 -0.90 -0.06 0.00 -1.55 0.00 0.00 70.33 67.81 2oqp n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2oqp s PRO 95 N -0.71 3.74 0.30 0.00 0.04 -1.26 -4.99 135.00 132.11 2oqp s PRO 95 Ca 0.15 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.54 2oqp s PRO 95 Cb -0.12 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2oqp s PRO 95 CO 0.04 -0.48 0.46 -1.12 0.04 0.00 0.00 177.00 175.94 2oqp s SER 96 N -2.12 6.31 -0.81 6.66 0.01 -1.26 -4.86 113.70 117.63 2oqp s SER 96 Ca 0.67 0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.95 2oqp s SER 96 Cb -0.16 -1.95 -0.16 0.00 0.21 0.00 0.00 66.02 63.96 2oqp s SER 96 CO 0.22 -0.19 2.39 0.00 0.41 0.00 0.00 173.24 176.07 2oqp n ASP 98 N 17.53 0.00 -4.34 0.00 -0.08 -1.26 -5.01 116.55 123.39 2oqp n ASP 98 Ca 0.49 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 53.33 2oqp n ASP 98 Cb 0.40 0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.97 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 -1.67 5.14 -0.73 1.67 2.88 -1.12 -4.87 113.62 114.91 2oqp n SER 99 Ca 0.00 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 2oqp n SER 99 Cb 0.00 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 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 5.52 -0.64 -4.27 0.66 4.01 -1.26 -4.88 117.16 116.30 2oqp n TYR 100 Ca 0.39 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.88 2oqp n TYR 100 Cb 0.42 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.28 2oqp n TYR 100 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2oqp s GLU 101 N -1.20 1.52 0.76 -0.72 2.12 -1.26 -5.06 118.70 114.85 2oqp s GLU 101 Ca 0.00 -0.31 -0.17 0.00 0.36 0.00 0.00 54.97 54.86 2oqp s GLU 101 Cb 0.00 -1.40 -0.09 0.00 0.26 0.00 0.00 34.13 32.90 2oqp s GLU 101 CO 0.00 -0.10 -0.01 1.63 -0.54 0.00 0.00 175.26 176.24 2oqp n LYS 102 N 4.28 0.09 -3.98 4.30 4.01 -1.26 -4.32 118.16 121.28 2oqp n LYS 102 Ca -0.19 0.05 -0.09 0.00 -0.51 0.00 0.00 58.31 57.57 2oqp n LYS 102 Cb 0.51 -1.39 -0.08 0.00 -0.51 0.00 0.00 35.03 33.56 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 -2.18 0.92 1.02 1.97 -0.14 0.14 -4.91 119.74 116.57 2oqp s LYS 103 Ca 0.56 -1.15 -0.16 0.00 -1.36 0.00 0.00 55.97 53.85 2oqp s LYS 103 Cb -0.33 0.32 0.21 0.00 -1.68 0.00 0.00 37.83 36.34 2oqp s LYS 103 CO 0.68 -0.29 1.19 -1.25 -0.76 0.00 0.00 175.35 174.92 2oqp s PRO 104 N -3.94 0.19 -0.06 -1.68 0.04 -1.26 -2.38 135.00 125.90 2oqp s PRO 104 Ca 0.13 -0.07 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 2oqp s PRO 104 Cb 0.05 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 2oqp s PRO 104 CO -0.05 -2.77 0.54 -1.00 0.04 0.00 0.00 177.00 173.76 2oqp h PRO 105 N -1.90 -0.26 -0.98 0.56 0.13 -1.85 0.20 132.00 127.90 2oqp h PRO 105 Ca -0.46 0.02 0.25 0.00 -0.87 0.00 0.00 66.00 64.94 2oqp h PRO 105 Cb 1.29 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.29 2oqp h PRO 105 CO 0.45 -0.00 -0.04 0.36 -0.23 0.00 0.00 178.00 178.54 2oqp n LYS 106 N -4.95 -0.08 0.07 0.86 2.85 -1.26 0.49 118.16 116.14 2oqp n LYS 106 Ca -0.05 1.47 -0.07 0.00 -1.05 0.00 0.00 58.31 58.61 2oqp n LYS 106 Cb 0.19 -2.31 -0.04 0.00 -0.65 0.00 0.00 35.03 32.22 2oqp n LYS 106 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2oqp h GLU 107 N 0.00 -0.26 -1.27 -1.58 5.08 -1.96 -1.67 114.58 112.92 2oqp h GLU 107 Ca 0.56 0.02 0.46 0.00 -1.00 0.00 0.00 59.36 59.40 2oqp h GLU 107 Cb 1.11 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2oqp h GLU 107 CO -0.94 -0.04 0.79 0.34 -1.00 0.00 0.00 179.01 178.16 2oqp n PHE 108 N -4.95 0.81 -0.04 4.33 7.35 0.70 0.21 117.46 125.87 2oqp n PHE 108 Ca -0.05 0.82 -0.10 0.00 -0.76 0.00 0.00 57.45 57.36 2oqp n PHE 108 Cb 0.17 -1.25 -0.08 0.00 0.35 0.00 0.00 39.48 38.67 2oqp n PHE 108 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2oqp h LEU 109 N 0.00 -0.03 -2.32 -2.13 -0.00 -0.01 0.37 115.31 111.19 2oqp h LEU 109 Ca 0.86 -0.61 0.04 0.00 -0.00 0.00 0.00 57.88 58.17 2oqp h LEU 109 Cb 2.66 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 43.32 2oqp h LEU 109 CO -0.54 0.75 0.17 -0.08 -0.00 0.00 0.00 178.44 178.73 2oqp h GLU 110 N -0.96 0.00 0.00 1.13 4.22 0.10 -1.10 114.58 117.97 2oqp h GLU 110 Ca -0.00 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.21 2oqp h GLU 110 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2oqp h GLU 110 CO 0.01 0.00 -1.26 -2.13 -2.18 0.00 0.00 179.01 173.44 2oqp n ARG 111 N -3.66 0.56 -0.01 1.92 3.00 0.56 -3.80 116.66 115.23 2oqp n ARG 111 Ca 0.00 0.57 -0.12 0.00 -0.00 0.00 0.00 57.85 58.30 2oqp n ARG 111 Cb 0.27 -1.74 -0.08 0.00 0.00 0.00 0.00 32.46 30.91 2oqp n ARG 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2oqp h PHE 112 N -1.00 -1.33 -0.40 -0.14 3.57 0.29 0.11 116.94 118.04 2oqp h PHE 112 Ca -0.35 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.25 2oqp h PHE 112 Cb 1.28 0.60 -0.07 0.00 2.79 0.00 0.00 35.95 40.55 2oqp h PHE 112 CO 0.08 -0.45 -0.43 -0.22 -2.23 0.00 0.00 178.31 175.06 2oqp h LYS 113 N -0.47 -0.24 -0.85 1.11 3.64 -1.44 0.91 116.57 119.23 2oqp h LYS 113 Ca 0.03 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.60 2oqp h LYS 113 Cb 0.55 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.27 2oqp h LYS 113 CO -0.36 -0.16 -0.19 0.77 -2.27 0.00 0.00 179.45 177.24 2oqp h SER 114 N -0.25 -0.75 -0.35 4.20 0.02 -1.54 2.88 113.55 117.76 2oqp h SER 114 Ca 0.07 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2oqp h SER 114 Cb 0.43 0.52 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2oqp h SER 114 CO -0.51 -0.28 0.11 0.25 -1.14 0.00 0.00 176.83 175.26 2oqp h LEU 115 N 0.01 0.56 -0.40 5.07 5.85 0.19 1.98 115.31 128.57 2oqp h LEU 115 Ca 0.42 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.91 2oqp h LEU 115 Cb 0.66 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2oqp h LEU 115 CO -0.87 0.56 -0.69 0.25 -0.34 0.00 0.00 178.44 177.35 2oqp h LEU 116 N 0.60 0.00 -1.60 2.25 7.12 0.98 -1.62 115.31 123.04 2oqp h LEU 116 Ca 0.14 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.15 2oqp h LEU 116 Cb 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2oqp h LEU 116 CO -0.01 0.69 -0.03 0.00 -0.13 0.00 0.00 178.44 178.96 2oqp n GLN 117 N -3.50 2.07 -0.13 1.25 -0.00 0.83 -2.23 117.38 115.66 2oqp n GLN 117 Ca -0.00 -1.60 -0.28 0.00 -0.00 0.00 0.00 57.00 55.12 2oqp n GLN 117 Cb 0.73 -1.47 -0.10 0.00 -0.00 0.00 0.00 30.24 29.40 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 0.93 0.58 0.00 2.61 5.02 0.66 -4.33 118.16 123.63 2oqp n LYS 118 Ca 0.15 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2oqp n LYS 118 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2oqp n LYS 118 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2oqp n MET 119 N -4.30 0.00 -0.33 1.97 1.56 -0.63 -3.57 117.12 111.83 2oqp n MET 119 Ca -0.49 0.11 0.16 0.00 -0.27 0.00 0.00 57.70 57.21 2oqp n MET 119 Cb 0.83 -0.48 0.31 0.00 2.15 0.00 0.00 33.22 36.04 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 -1.73 -0.40 0.00 1.12 -0.00 -1.20 0.20 119.36 117.35 2oqp n ILE 120 Ca 0.00 2.10 0.00 0.00 -0.00 0.00 0.00 62.75 64.85 2oqp n ILE 120 Cb 0.00 -3.10 0.00 0.00 -0.00 0.00 0.00 39.64 36.54 2oqp n ILE 120 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2oqp n HIS 121 N -5.41 0.00 -0.37 1.39 -0.00 -0.95 -1.50 115.22 108.40 2oqp n HIS 121 Ca 0.24 0.00 0.35 0.00 -0.00 0.00 0.00 57.72 58.31 2oqp n HIS 121 Cb 0.79 -0.46 0.71 0.00 -0.00 0.00 0.00 29.99 31.03 2oqp n HIS 121 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.34 175.78 2oqp h GLN 122 N 0.00 0.08 0.12 1.57 3.07 -0.99 0.32 115.11 119.27 2oqp h GLN 122 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 2oqp h GLN 122 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 2oqp h GLN 122 CO 0.00 0.05 -0.18 1.25 0.09 0.00 0.00 178.83 180.04 2oqp h HIS 123 N 0.08 -0.46 -0.54 0.06 2.76 0.85 -2.27 115.15 115.63 2oqp h HIS 123 Ca 0.62 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.91 2oqp h HIS 123 Cb 2.29 0.19 -0.09 0.00 1.55 0.00 0.00 27.41 31.35 2oqp h HIS 123 CO -0.00 -0.26 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.27 2oqp h LEU 124 N -0.35 -0.29-10.27 0.26 4.07 0.74 -3.33 115.31 106.15 2oqp h LEU 124 Ca 0.02 0.14 -0.49 0.00 0.08 0.00 0.00 57.88 57.62 2oqp h LEU 124 Cb 0.36 0.25 0.06 0.00 1.08 0.00 0.00 40.66 42.41 2oqp h LEU 124 CO -0.08 -0.11 0.38 -0.55 -1.08 0.00 0.00 178.44 177.00 2oqp s SER 125 N -5.24 6.03 0.00 -0.43 0.15 -0.85 -4.13 113.70 109.23 2oqp s SER 125 Ca -0.14 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2oqp s SER 125 Cb 0.17 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2oqp s SER 125 CO 0.73 -1.00 0.00 -0.24 1.20 0.00 0.00 173.24 173.93 2oqp n SER 126 N -2.32 0.00 -4.62 5.45 2.88 -1.26 -4.86 113.62 108.89 2oqp n SER 126 Ca 0.07 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 2oqp n SER 126 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2oqp n SER 126 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2oqp s ARG 127 N 0.00 3.56 0.12 -1.46 3.00 -1.25 -4.97 118.95 117.94 2oqp s ARG 127 Ca 0.00 1.87 0.10 0.00 -1.00 0.00 0.00 55.73 56.70 2oqp s ARG 127 Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 34.95 30.72 2oqp s ARG 127 CO 0.00 -1.60 -0.26 -0.08 0.00 0.00 0.00 175.30 173.36 2oqp s THR 128 N 6.34 2.19 0.33 4.11 -1.32 -1.26 -4.88 115.64 121.15 2oqp s THR 128 Ca 0.84 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 2oqp s THR 128 Cb -0.29 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.76 2oqp s THR 128 CO 0.34 0.11 0.00 1.57 -2.21 0.00 0.00 174.62 174.43 2oqp n HIS 129 N 1.05 -3.99 -2.90 9.09 -0.00 -1.26 -4.99 115.22 112.21 2oqp n HIS 129 Ca -0.18 1.13 -0.37 0.00 -0.00 0.00 0.00 57.72 58.30 2oqp n HIS 129 Cb 0.53 2.94 -0.01 0.00 -0.00 0.00 0.00 29.99 33.45 2oqp n HIS 129 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2oqp n GLY 130 N -1.45 5.61 2.74 1.57 0.00 -1.26 -4.82 105.19 107.58 2oqp n GLY 130 Ca 0.00 -2.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.24 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 -2.04 -0.30 0.56 1.61 1.04 -1.26 -5.11 113.70 108.20 2oqp s SER 131 Ca 0.39 -1.88 0.00 0.00 0.48 0.00 0.00 55.95 54.93 2oqp s SER 131 Cb 0.16 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.39 2oqp s SER 131 CO -0.05 -0.13 0.00 -0.62 0.98 0.00 0.00 173.24 173.41 2oqp n GLU 132 N 3.38 -4.17 -1.97 4.02 1.02 -1.26 -4.78 120.64 116.88 2oqp n GLU 132 Ca 0.18 3.19 -0.41 0.00 -0.02 0.00 0.00 57.16 60.11 2oqp n GLU 132 Cb 0.52 -3.87 -0.02 0.00 -0.02 0.00 0.00 31.44 28.05 2oqp n GLU 132 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2oqp s ASP 133 N -4.79 6.59 0.00 1.62 1.11 -1.26 -4.98 116.67 114.97 2oqp s ASP 133 Ca 0.00 2.75 0.00 0.00 0.18 0.00 0.00 52.55 55.48 2oqp s ASP 133 Cb 0.00 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.36 2oqp s ASP 133 CO 0.00 -0.73 0.26 -0.24 1.18 0.00 0.00 175.17 175.64