#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 0.68 -0.05 3.17 1.11 -1.26 -5.17 119.66 118.13 2oqp s GLN 2 Ca 0.00 -0.69 -0.10 0.00 0.01 0.00 0.00 55.36 54.58 2oqp s GLN 2 Cb 0.00 0.28 0.02 0.00 -1.01 0.00 0.00 33.01 32.30 2oqp s GLN 2 CO 0.00 -0.19 0.25 0.20 0.01 0.00 0.00 175.29 175.56 2oqp s GLY 3 N -2.16 -0.13 0.10 3.09 0.00 -1.26 -5.04 107.32 101.91 2oqp s GLY 3 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.12 2oqp s GLY 3 CO -0.05 0.30 0.00 -1.06 0.00 0.00 0.00 173.10 172.30 2oqp n GLN 4 N 2.20 0.00 -0.93 2.90 3.00 -1.26 -5.06 117.38 118.23 2oqp n GLN 4 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.47 2oqp n GLN 4 Cb 0.57 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.88 2oqp n GLN 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2oqp n ASP 5 N -2.79 -4.55 0.12 1.08 8.00 -1.26 -4.86 116.55 112.28 2oqp n ASP 5 Ca 0.00 0.24 0.04 0.00 0.71 0.00 0.00 54.79 55.78 2oqp n ASP 5 Cb 0.00 -0.93 0.01 0.00 -0.02 0.00 0.00 41.12 40.18 2oqp n ASP 5 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2oqp h ARG 6 N -1.20 0.00 0.00 -1.24 9.65 -1.99 -3.19 114.38 116.41 2oqp h ARG 6 Ca -0.44 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.36 2oqp h ARG 6 Cb 1.29 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.86 2oqp h ARG 6 CO 0.27 0.31 -0.46 0.45 2.80 0.00 0.00 179.97 183.34 2oqp h HIS 7 N 0.00 0.00 -0.81 2.20 3.86 -1.98 -2.58 115.15 115.83 2oqp h HIS 7 Ca -0.05 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.34 2oqp h HIS 7 Cb 1.34 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.70 2oqp h HIS 7 CO 0.00 1.10 0.31 1.98 0.86 0.00 0.00 177.93 182.18 2oqp h MET 8 N -1.00 0.38 -0.21 2.45 1.85 -1.94 0.57 114.93 117.04 2oqp h MET 8 Ca -0.12 -0.02 -0.12 0.00 -0.61 0.00 0.00 59.70 58.82 2oqp h MET 8 Cb 1.05 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.99 2oqp h MET 8 CO -0.08 0.25 -0.34 -0.84 -0.40 0.00 0.00 176.91 175.50 2oqp h ILE 9 N 0.40 1.33 -0.94 1.77 -0.00 -1.69 -3.09 117.51 115.29 2oqp h ILE 9 Ca 0.47 -1.56 0.28 0.00 -0.00 0.00 0.00 64.86 64.05 2oqp h ILE 9 Cb 0.81 1.83 -0.15 0.00 -0.00 0.00 0.00 36.82 39.31 2oqp h ILE 9 CO -0.48 0.48 0.39 -0.09 -0.00 0.00 0.00 178.15 178.46 2oqp h ARG 10 N 0.28 0.25 0.36 0.16 2.43 -0.49 0.23 114.38 117.60 2oqp h ARG 10 Ca 0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2oqp h ARG 10 Cb 0.93 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2oqp h ARG 10 CO 0.08 0.17 -0.22 0.52 -1.51 0.00 0.00 179.97 179.01 2oqp h MET 11 N 0.26 -0.52 -0.55 0.20 2.86 -1.23 -2.49 114.93 113.47 2oqp h MET 11 Ca 0.64 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.43 2oqp h MET 11 Cb 1.38 0.12 -0.10 0.00 0.06 0.00 0.00 31.60 33.06 2oqp h MET 11 CO -0.64 -0.35 -0.12 0.00 1.06 0.00 0.00 176.91 176.86 2oqp h ARG 12 N -0.54 0.01 -0.95 1.72 3.08 -1.30 -1.36 114.38 115.04 2oqp h ARG 12 Ca -0.05 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.10 2oqp h ARG 12 Cb 0.43 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.35 2oqp h ARG 12 CO 0.05 0.01 -0.53 1.96 -1.07 0.00 0.00 179.97 180.39 2oqp h GLN 13 N 0.01 -0.03 0.28 0.04 1.08 -0.49 1.84 115.11 117.84 2oqp h GLN 13 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 2oqp h GLN 13 Cb 0.41 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2oqp h GLN 13 CO -0.55 -0.02 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.02 2oqp h LEU 14 N -0.03 -0.58 -1.72 1.46 4.07 -0.81 1.55 115.31 119.24 2oqp h LEU 14 Ca 0.20 0.04 0.31 0.00 0.08 0.00 0.00 57.88 58.51 2oqp h LEU 14 Cb 0.47 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 2oqp h LEU 14 CO -0.93 -0.31 0.94 0.40 -1.08 0.00 0.00 178.44 177.47 2oqp h ILE 15 N -0.48 0.22 0.00 1.22 5.03 -0.42 1.47 117.51 124.54 2oqp h ILE 15 Ca -0.04 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.70 2oqp h ILE 15 Cb 0.40 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.48 2oqp h ILE 15 CO 0.00 0.00 -0.00 -0.78 -0.68 0.00 0.00 178.15 176.69 2oqp h ASP 16 N 0.00 -0.00 -0.97 1.72 3.58 0.44 -2.01 116.42 119.18 2oqp h ASP 16 Ca 0.51 0.00 0.27 0.00 0.42 0.00 0.00 57.03 58.23 2oqp h ASP 16 Cb 2.39 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.39 2oqp h ASP 16 CO -0.01 0.21 0.68 0.16 -2.88 0.00 0.00 179.24 177.41 2oqp h ILE 17 N -0.42 0.54 0.37 2.25 -0.00 0.38 1.46 117.51 122.08 2oqp h ILE 17 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 64.86 64.81 2oqp h ILE 17 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 37.25 2oqp h ILE 17 CO 0.00 0.02 -0.18 0.58 -0.00 0.00 0.00 178.15 178.57 2oqp h VAL 18 N 0.10 0.00 -0.12 0.16 2.07 0.19 0.68 116.25 119.32 2oqp h VAL 18 Ca 0.48 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.76 2oqp h VAL 18 Cb 1.73 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2oqp h VAL 18 CO -0.06 0.00 0.11 -0.78 0.02 0.00 0.00 177.57 176.86 2oqp h ASP 19 N -0.77 0.00 0.23 0.57 3.58 -0.45 0.26 116.42 119.85 2oqp h ASP 19 Ca -0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2oqp h ASP 19 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2oqp h ASP 19 CO 0.08 0.00 -0.11 -0.61 -2.88 0.00 0.00 179.24 175.72 2oqp h GLN 20 N 0.00 -0.30 -0.61 0.28 4.15 0.20 -2.87 115.11 115.96 2oqp h GLN 20 Ca 0.06 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.68 2oqp h GLN 20 Cb 0.27 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2oqp h GLN 20 CO -0.00 -0.20 0.44 1.25 -1.93 0.00 0.00 178.83 178.39 2oqp h LEU 21 N -0.82 0.00 -0.10 -2.39 7.12 0.68 0.11 115.31 119.91 2oqp h LEU 21 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 2oqp h LEU 21 Cb 0.24 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.37 2oqp h LEU 21 CO 0.05 0.00 0.06 0.11 -0.13 0.00 0.00 178.44 178.54 2oqp h LYS 22 N 0.00 0.13 0.00 1.25 1.57 -0.51 0.23 116.57 119.24 2oqp h LYS 22 Ca 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2oqp h LYS 22 Cb 1.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2oqp h LYS 22 CO -0.00 0.10 0.16 -0.91 -0.57 0.00 0.00 179.45 178.23 2oqp h ASN 23 N 0.12 0.00 -0.76 0.86 4.21 -0.55 0.59 115.58 120.05 2oqp h ASN 23 Ca 0.04 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.31 2oqp h ASN 23 Cb 0.00 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.06 2oqp h ASN 23 CO -0.01 0.00 0.29 -1.22 -1.29 0.00 0.00 177.43 175.21 2oqp n TYR 24 N -2.85 2.51 -0.32 1.19 4.01 0.06 -4.54 117.16 117.22 2oqp n TYR 24 Ca -0.02 -1.24 0.32 0.00 -0.16 0.00 0.00 57.90 56.80 2oqp n TYR 24 Cb 0.21 -0.71 0.70 0.00 -0.31 0.00 0.00 39.34 39.23 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 2.62 0.43 -0.36 -0.72 2.07 0.35 1.29 116.25 121.93 2oqp h VAL 25 Ca 0.29 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.88 2oqp h VAL 25 Cb 2.38 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2oqp h VAL 25 CO 0.77 0.02 0.48 -1.13 0.02 0.00 0.00 177.57 177.72 2oqp h ASN 26 N 0.09 0.00 -1.22 0.57 -1.24 -1.83 0.41 115.58 112.36 2oqp h ASN 26 Ca 0.57 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 57.00 2oqp h ASN 26 Cb 2.09 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 40.73 2oqp h ASN 26 CO -0.08 0.00 -0.60 0.47 -1.29 0.00 0.00 177.43 175.93 2oqp n ASP 27 N -3.50 5.07 -4.01 1.15 9.92 0.44 -4.80 116.55 120.81 2oqp n ASP 27 Ca 0.06 -3.74 -0.31 0.00 -0.53 0.00 0.00 54.79 50.27 2oqp n ASP 27 Cb 0.63 -0.47 -0.15 0.00 -0.64 0.00 0.00 41.12 40.50 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 -3.60 3.26 -0.10 0.64 1.43 0.14 -2.19 118.68 118.26 2oqp s LEU 28 Ca 0.50 -1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 51.90 2oqp s LEU 28 Cb 0.41 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2oqp s LEU 28 CO -0.10 -0.23 1.43 0.54 0.23 0.00 0.00 176.35 178.22 2oqp s VAL 29 N 1.19 3.93 -0.53 -1.59 0.11 -0.28 -4.57 120.40 118.67 2oqp s VAL 29 Ca -0.05 1.16 -0.28 0.00 -2.93 0.00 0.00 61.98 59.88 2oqp s VAL 29 Cb -0.19 -3.75 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 2oqp s VAL 29 CO -0.06 -0.09 1.48 -2.16 -3.33 0.00 0.00 175.10 170.94 2oqp s PRO 30 N 3.53 3.28 0.15 1.54 0.04 -1.26 -4.76 135.00 137.52 2oqp s PRO 30 Ca 0.63 0.60 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2oqp s PRO 30 Cb -0.28 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 2oqp s PRO 30 CO 0.22 -1.95 -0.05 -2.00 0.04 0.00 0.00 177.00 173.26 2oqp s GLU 31 N 5.58 1.05 -0.77 4.56 2.56 -1.26 -5.05 118.70 125.37 2oqp s GLU 31 Ca 0.57 -1.47 -0.25 0.00 0.00 0.00 0.00 54.97 53.81 2oqp s GLU 31 Cb -0.12 -0.41 -0.07 0.00 2.00 0.00 0.00 34.13 35.53 2oqp s GLU 31 CO 0.26 -0.03 2.13 -0.06 -0.56 0.00 0.00 175.26 177.00 2oqp s PHE 32 N -3.51 1.49 -0.04 5.30 0.08 -1.26 -4.62 117.98 115.40 2oqp s PHE 32 Ca 0.19 1.19 -0.02 0.00 0.12 0.00 0.00 56.93 58.41 2oqp s PHE 32 Cb 0.05 -3.81 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 2oqp s PHE 32 CO 0.01 -1.89 0.07 -0.51 -0.10 0.00 0.00 175.22 172.80 2oqp s LEU 33 N 11.60 3.91 0.04 -0.37 1.02 -1.08 -4.88 118.68 128.92 2oqp s LEU 33 Ca 0.80 0.21 -0.30 0.00 0.02 0.00 0.00 54.13 54.85 2oqp s LEU 33 Cb -0.11 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.92 2oqp s LEU 33 CO 0.09 0.32 1.17 -2.16 0.02 0.00 0.00 176.35 175.80 2oqp s PRO 34 N -1.40 4.44 -0.20 1.29 0.04 -1.26 -0.93 135.00 136.97 2oqp s PRO 34 Ca 0.19 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 2oqp s PRO 34 Cb -0.12 -3.39 0.07 0.00 0.04 0.00 0.00 34.50 31.10 2oqp s PRO 34 CO 0.09 -0.26 0.07 0.00 0.04 0.00 0.00 177.00 176.95 2oqp s ALA 35 N 1.20 0.75 -0.20 8.56 0.00 -1.15 -4.45 121.76 126.46 2oqp s ALA 35 Ca 0.58 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 2oqp s ALA 35 Cb -0.28 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2oqp s ALA 35 CO 0.28 -1.25 1.30 -1.25 0.00 0.00 0.00 175.76 174.84 2oqp s PRO 36 N 1.99 4.13 -0.34 0.00 0.04 -1.26 -4.56 135.00 134.99 2oqp s PRO 36 Ca 0.02 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 2oqp s PRO 36 Cb -0.17 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 2oqp s PRO 36 CO -0.12 -0.85 0.32 -2.00 0.04 0.00 0.00 177.00 174.39 2oqp s GLU 37 N 3.75 3.52 -0.16 4.56 2.12 -1.26 -4.71 118.70 126.51 2oqp s GLU 37 Ca 0.56 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 55.29 2oqp s GLU 37 Cb -0.21 -3.81 0.03 0.00 0.26 0.00 0.00 34.13 30.40 2oqp s GLU 37 CO 0.18 -0.51 0.18 -3.47 -0.54 0.00 0.00 175.26 171.10 2oqp n ASP 38 N 5.30 -1.26 -4.69 -1.70 -0.08 -1.26 -5.02 116.55 107.83 2oqp n ASP 38 Ca -0.10 1.08 -0.33 0.00 -1.51 0.00 0.00 54.79 53.93 2oqp n ASP 38 Cb 0.49 -4.40 -0.09 0.00 2.34 0.00 0.00 41.12 39.47 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 -0.61 4.22 1.05 5.18 -7.23 -1.26 -5.10 120.40 116.65 2oqp s VAL 39 Ca -0.21 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.23 2oqp s VAL 39 Cb 0.01 -2.89 0.14 0.00 0.56 0.00 0.00 36.38 34.20 2oqp s VAL 39 CO 0.64 0.37 0.56 1.21 -0.31 0.00 0.00 175.10 177.56 2oqp n GLU 40 N 1.35 -1.23 -0.28 4.82 2.13 -1.26 -4.69 120.64 121.47 2oqp n GLU 40 Ca -0.14 -0.32 -0.00 0.00 0.66 0.00 0.00 57.16 57.35 2oqp n GLU 40 Cb 0.53 -1.97 0.06 0.00 0.27 0.00 0.00 31.44 30.32 2oqp n GLU 40 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2oqp h THR 41 N -2.04 0.14 -1.99 6.31 2.02 -1.97 0.38 112.91 115.75 2oqp h THR 41 Ca -0.51 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 65.98 2oqp h THR 41 Cb 1.32 0.14 -0.34 0.00 -1.74 0.00 0.00 68.15 67.52 2oqp h THR 41 CO 0.40 0.00 0.25 0.59 0.37 0.00 0.00 175.52 177.13 2oqp n ASN 42 N -5.49 6.16 0.00 4.18 4.13 -1.26 -4.43 115.26 118.54 2oqp n ASN 42 Ca 0.09 -3.74 0.00 0.00 1.68 0.00 0.00 54.58 52.61 2oqp n ASN 42 Cb 0.40 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 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 -2.28 -0.04 0.22 0.00 4.71 -1.23 0.21 120.64 122.23 2oqp n GLU 44 Ca 0.00 1.03 -0.12 0.00 -0.01 0.00 0.00 57.16 58.06 2oqp n GLU 44 Cb 0.45 -1.92 -0.07 0.00 -1.01 0.00 0.00 31.44 28.89 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 -0.55 -0.11 -0.32 4.06 -1.91 -1.36 115.95 115.76 2oqp h TRP 45 Ca 0.67 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.64 2oqp h TRP 45 Cb 1.95 0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 30.29 2oqp h TRP 45 CO -0.01 -0.25 0.35 0.77 -3.56 0.00 0.00 178.44 175.75 2oqp h SER 46 N -1.03 0.00 1.35 -3.49 0.02 0.22 1.62 113.55 112.24 2oqp h SER 46 Ca -0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2oqp h SER 46 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2oqp h SER 46 CO 0.10 0.00 -0.67 0.00 -1.14 0.00 0.00 176.83 175.12 2oqp h ALA 47 N 1.40 0.72 -0.76 3.77 0.00 0.39 -3.29 119.26 121.49 2oqp h ALA 47 Ca 0.05 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 54.85 2oqp h ALA 47 Cb 0.75 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2oqp h ALA 47 CO -0.00 0.34 0.52 0.35 0.00 0.00 0.00 179.25 180.46 2oqp h PHE 48 N 0.00 0.35 -0.40 0.00 3.04 0.35 0.64 116.94 120.92 2oqp h PHE 48 Ca -0.03 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 2oqp h PHE 48 Cb 1.21 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 2oqp h PHE 48 CO 0.00 0.12 -0.01 1.03 -2.02 0.00 0.00 178.31 177.43 2oqp h SER 49 N 0.29 0.71 -0.18 0.41 0.87 -1.63 -0.94 113.55 113.08 2oqp h SER 49 Ca 0.37 -0.32 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2oqp h SER 49 Cb 1.04 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.74 2oqp h SER 49 CO -0.10 0.85 -0.39 0.00 -0.53 0.00 0.00 176.83 176.66 2oqp h PHE 51 N -0.44 0.00 -0.00 0.00 0.04 -1.41 0.21 116.94 115.35 2oqp h PHE 51 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2oqp h PHE 51 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2oqp h PHE 51 CO -0.49 0.05 -0.03 0.37 -0.60 0.00 0.00 178.31 177.61 2oqp h GLN 52 N 0.00 0.03 0.00 1.51 4.15 0.14 -3.09 115.11 117.85 2oqp h GLN 52 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2oqp h GLN 52 Cb 0.24 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2oqp h GLN 52 CO 0.01 0.73 0.00 0.36 -1.93 0.00 0.00 178.83 177.99 2oqp n LYS 53 N -4.72 0.24 0.09 1.69 2.85 0.22 -3.48 118.16 115.05 2oqp n LYS 53 Ca -0.09 0.06 -0.12 0.00 -1.05 0.00 0.00 58.31 57.11 2oqp n LYS 53 Cb 0.36 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.19 2oqp n LYS 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2oqp h ALA 54 N 3.06 -0.37 -4.52 0.58 0.00 -0.87 -3.48 119.26 113.66 2oqp h ALA 54 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2oqp h ALA 54 Cb 0.29 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2oqp h ALA 54 CO 0.00 -0.76 -1.06 0.94 0.00 0.00 0.00 179.25 178.37 2oqp n GLN 55 N -5.36 -3.20 -2.49 0.00 7.27 -1.23 -4.87 117.38 107.51 2oqp n GLN 55 Ca -0.06 2.57 -0.42 0.00 0.07 0.00 0.00 57.00 59.16 2oqp n GLN 55 Cb 0.27 -4.13 -0.03 0.00 2.41 0.00 0.00 30.24 28.76 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 -0.73 4.34 -0.06 1.69 1.98 -1.26 -5.02 118.68 119.62 2oqp s LEU 56 Ca -0.15 1.88 0.03 0.00 -2.89 0.00 0.00 54.13 53.00 2oqp s LEU 56 Cb 0.01 -3.57 0.01 0.00 0.66 0.00 0.00 46.19 43.30 2oqp s LEU 56 CO 0.60 -0.46 -0.13 -0.75 -1.89 0.00 0.00 176.35 173.71 2oqp s LYS 57 N 1.41 1.62 0.49 1.98 2.47 -1.26 -4.93 119.74 121.52 2oqp s LYS 57 Ca 0.56 -0.44 -0.06 0.00 -1.56 0.00 0.00 55.97 54.47 2oqp s LYS 57 Cb -0.26 -1.37 -0.04 0.00 -1.46 0.00 0.00 37.83 34.70 2oqp s LYS 57 CO 0.27 0.08 0.81 -1.54 0.16 0.00 0.00 175.35 175.13 2oqp s SER 58 N 0.47 6.28 0.19 1.43 1.04 -1.26 -1.13 113.70 120.72 2oqp s SER 58 Ca -0.11 1.00 0.16 0.00 0.48 0.00 0.00 55.95 57.48 2oqp s SER 58 Cb -0.14 -2.28 0.77 0.00 0.10 0.00 0.00 66.02 64.48 2oqp s SER 58 CO 0.03 -0.60 1.49 0.00 0.98 0.00 0.00 173.24 175.14 2oqp n ALA 59 N -2.24 1.27 0.00 5.32 0.00 -0.93 -4.28 120.51 119.65 2oqp n ALA 59 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2oqp n ALA 59 Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.00 -3.97 0.00 3.02 -1.26 -4.72 115.26 106.36 2oqp n ASN 60 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.20 2oqp n ASN 60 Cb 0.09 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 2oqp n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2oqp n THR 61 N 0.00 1.12 -0.39 3.41 -2.24 -1.26 -4.59 114.28 110.33 2oqp n THR 61 Ca 0.00 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2oqp n THR 61 Cb 0.00 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.07 2oqp n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqp n GLY 62 N 5.19 3.98 1.23 3.38 0.00 -1.26 -4.99 105.19 112.73 2oqp n GLY 62 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2oqp n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2oqp n ASN 63 N 0.00 0.00 -2.08 1.61 2.85 -1.26 -4.76 115.26 111.62 2oqp n ASN 63 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 2oqp n ASN 63 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 2oqp n ASN 63 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 2oqp n ASN 64 N -2.88 5.79 -0.03 1.20 0.23 -1.26 -4.38 115.26 113.93 2oqp n ASN 64 Ca 0.00 -2.77 -0.00 0.00 -0.53 0.00 0.00 54.58 51.28 2oqp n ASN 64 Cb 0.38 -1.28 -0.00 0.00 -2.08 0.00 0.00 39.78 36.80 2oqp n ASN 64 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2oqp h GLU 65 N 2.55 0.00 -0.96 -3.83 4.22 -1.86 -2.83 114.58 111.87 2oqp h GLU 65 Ca 0.24 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.79 2oqp h GLU 65 Cb 1.13 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 2oqp h GLU 65 CO 0.47 0.00 0.62 -0.09 -2.18 0.00 0.00 179.01 177.82 2oqp h ARG 66 N -0.61 0.93 -0.08 1.92 9.65 -1.93 -1.09 114.38 123.17 2oqp h ARG 66 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2oqp h ARG 66 Cb 0.05 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.42 2oqp h ARG 66 CO 0.00 0.62 0.05 0.97 2.80 0.00 0.00 179.97 184.41 2oqp h ILE 67 N 0.96 1.03 -1.03 1.20 -0.00 -1.85 -1.49 117.51 116.33 2oqp h ILE 67 Ca 0.46 -0.08 0.26 0.00 -0.00 0.00 0.00 64.86 65.51 2oqp h ILE 67 Cb 0.46 0.95 -0.09 0.00 -0.00 0.00 0.00 36.82 38.13 2oqp h ILE 67 CO -0.22 0.03 0.67 0.40 -0.00 0.00 0.00 178.15 179.02 2oqp h ILE 68 N 0.09 0.54 -0.01 2.19 5.03 -0.94 1.66 117.51 126.06 2oqp h ILE 68 Ca 0.03 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 2oqp h ILE 68 Cb 0.01 0.13 -0.00 0.00 -3.03 0.00 0.00 36.82 33.92 2oqp h ILE 68 CO -0.01 0.07 0.24 -1.13 -0.68 0.00 0.00 178.15 176.65 2oqp h ASN 69 N 0.38 0.00 0.57 1.72 -0.73 -0.82 0.85 115.58 117.54 2oqp h ASN 69 Ca 0.58 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.58 2oqp h ASN 69 Cb 1.50 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.08 2oqp h ASN 69 CO -0.27 0.00 -0.77 -0.37 -0.37 0.00 0.00 177.43 175.65 2oqp h VAL 70 N 0.00 1.48 0.00 2.57 -1.51 0.24 -2.71 116.25 116.32 2oqp h VAL 70 Ca 0.01 -2.43 0.00 0.00 -1.23 0.00 0.00 66.70 63.04 2oqp h VAL 70 Cb 0.49 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2oqp h VAL 70 CO -0.00 0.71 0.00 -1.20 -1.23 0.00 0.00 177.57 175.85 2oqp n SER 71 N -3.71 0.28 0.05 4.19 7.64 0.29 -3.64 113.62 118.72 2oqp n SER 71 Ca -0.03 0.54 -0.02 0.00 1.01 0.00 0.00 58.87 60.38 2oqp n SER 71 Cb 0.73 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.00 -0.93 0.44 1.08 -1.21 0.10 117.51 117.00 2oqp h ILE 72 Ca 0.00 -0.11 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 2oqp h ILE 72 Cb 0.47 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.09 2oqp h ILE 72 CO 0.00 0.00 -0.46 0.29 -0.69 0.00 0.00 178.15 177.29 2oqp n LYS 73 N -2.68 -0.31 0.12 2.37 4.01 -1.24 0.22 118.16 120.65 2oqp n LYS 73 Ca -0.02 1.42 -0.07 0.00 -0.51 0.00 0.00 58.31 59.13 2oqp n LYS 73 Cb 0.05 -2.09 -0.03 0.00 -0.51 0.00 0.00 35.03 32.45 2oqp n LYS 73 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2oqp h LYS 74 N 0.00 -0.36 -0.94 1.97 6.56 -1.66 -2.47 116.57 119.67 2oqp h LYS 74 Ca 0.24 0.02 0.25 0.00 -1.06 0.00 0.00 60.65 60.10 2oqp h LYS 74 Cb 0.47 0.08 -0.17 0.00 -0.57 0.00 0.00 32.23 32.04 2oqp h LYS 74 CO -0.90 -0.24 0.02 1.25 -2.06 0.00 0.00 179.45 177.52 2oqp h LEU 75 N -0.38 -0.46 -5.78 2.94 5.85 0.91 -1.85 115.31 116.53 2oqp h LEU 75 Ca -0.03 0.26 -0.42 0.00 0.84 0.00 0.00 57.88 58.54 2oqp h LEU 75 Cb 0.32 0.46 0.03 0.00 0.37 0.00 0.00 40.66 41.83 2oqp h LEU 75 CO -0.00 -0.31 2.36 0.29 -0.34 0.00 0.00 178.44 180.44 2oqp n LYS 76 N -5.46 1.70 -2.79 1.25 5.02 0.60 -4.85 118.16 113.63 2oqp n LYS 76 Ca 0.21 -1.46 -0.29 0.00 -2.02 0.00 0.00 58.31 54.75 2oqp n LYS 76 Cb 0.68 -2.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.15 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 4.03 3.66 -0.13 1.97 6.06 -0.70 -4.88 118.95 128.96 2oqp s ARG 77 Ca 0.41 0.32 -0.05 0.00 -2.50 0.00 0.00 55.73 53.90 2oqp s ARG 77 Cb 0.10 -2.40 -0.04 0.00 0.06 0.00 0.00 34.95 32.67 2oqp s ARG 77 CO 0.02 -0.09 0.05 -1.59 -2.50 0.00 0.00 175.30 171.18 2oqp s LYS 78 N -4.22 3.46 1.00 5.12 0.00 -1.26 -4.93 119.74 118.91 2oqp s LYS 78 Ca 0.49 -0.33 -0.15 0.00 0.00 0.00 0.00 55.97 55.98 2oqp s LYS 78 Cb -0.10 -3.03 0.19 0.00 0.00 0.00 0.00 37.83 34.89 2oqp s LYS 78 CO 0.37 0.55 1.18 -1.25 0.00 0.00 0.00 175.35 176.20 2oqp s PRO 79 N -0.42 0.42 -1.15 1.78 0.04 -1.26 -4.88 135.00 129.52 2oqp s PRO 79 Ca 0.09 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.01 2oqp s PRO 79 Cb -0.12 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2oqp s PRO 79 CO 0.02 -2.63 2.25 -0.35 0.04 0.00 0.00 177.00 176.33 2oqp n PRO 80 N -4.01 2.42 -4.16 0.56 -0.04 -1.26 -4.44 135.00 124.07 2oqp n PRO 80 Ca 0.11 -2.00 -0.29 0.00 -0.04 0.00 0.00 63.50 61.27 2oqp n PRO 80 Cb 0.59 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 2oqp n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2oqp n SER 81 N 5.50 0.16 -2.67 3.54 7.64 -1.26 -4.81 113.62 121.72 2oqp n SER 81 Ca 0.55 -1.15 -0.04 0.00 1.01 0.00 0.00 58.87 59.23 2oqp n SER 81 Cb 0.29 -2.28 0.06 0.00 -1.01 0.00 0.00 64.21 61.27 2oqp n SER 81 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2oqp n THR 82 N -4.48 0.00 0.29 0.44 5.66 -1.26 -5.03 114.28 109.90 2oqp n THR 82 Ca -0.29 -0.82 -0.17 0.00 -3.05 0.00 0.00 64.05 59.72 2oqp n THR 82 Cb 0.68 0.91 -0.08 0.00 -1.55 0.00 0.00 70.33 70.29 2oqp n THR 82 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2oqp h ASN 83 N 1.83 -0.61 -4.13 1.09 7.08 -1.89 -3.43 115.58 115.52 2oqp h ASN 83 Ca -0.40 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 52.84 2oqp h ASN 83 Cb 1.22 0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.63 2oqp h ASN 83 CO -0.08 -0.43 -0.60 0.00 -2.08 0.00 0.00 177.43 174.24 2oqp n ALA 84 N -2.41 -2.40 -2.42 4.14 0.00 -1.26 -4.31 120.51 111.84 2oqp n ALA 84 Ca -0.12 0.30 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 2oqp n ALA 84 Cb 0.30 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.30 -0.91 0.00 0.00 0.00 -1.26 -4.68 105.19 98.64 2oqp n GLY 85 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2oqp n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2oqp n ARG 86 N -0.02 0.00 0.00 1.61 0.63 -1.26 -4.92 116.66 112.69 2oqp n ARG 86 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2oqp n ARG 86 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 2oqp n ARG 86 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2oqp n ARG 87 N 0.00 0.00 -3.33 -0.14 1.85 -1.26 -4.75 116.66 109.03 2oqp n ARG 87 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 2oqp n ARG 87 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2oqp n ARG 87 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2oqp n GLN 88 N 0.00 -1.23 -3.60 2.89 6.02 -1.26 -4.95 117.38 115.25 2oqp n GLN 88 Ca 0.00 0.68 -0.16 0.00 -0.01 0.00 0.00 57.00 57.52 2oqp n GLN 88 Cb 0.00 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 29.58 2oqp n GLN 88 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2oqp s LYS 89 N -3.62 0.90 0.00 -1.09 2.36 -1.26 -5.04 119.74 111.99 2oqp s LYS 89 Ca 0.07 0.64 0.00 0.00 -2.55 0.00 0.00 55.97 54.13 2oqp s LYS 89 Cb -0.01 0.43 0.00 0.00 -1.05 0.00 0.00 37.83 37.20 2oqp s LYS 89 CO 0.67 -0.19 0.00 1.58 1.55 0.00 0.00 175.35 178.96 2oqp n HIS 90 N 1.94 0.00 0.00 4.03 -0.00 -1.26 -4.87 115.22 115.06 2oqp n HIS 90 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2oqp n HIS 90 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 2oqp n HIS 90 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2oqp n ARG 91 N 0.00 0.00 -3.71 1.57 0.63 -1.26 -4.70 116.66 109.19 2oqp n ARG 91 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 2oqp n ARG 91 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 2oqp n ARG 91 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2oqp s LEU 92 N 0.00 0.36 -1.03 6.15 0.05 -1.26 -5.06 118.68 117.89 2oqp s LEU 92 Ca 0.00 0.30 -0.27 0.00 0.05 0.00 0.00 54.13 54.21 2oqp s LEU 92 Cb 0.00 0.29 -0.21 0.00 -2.05 0.00 0.00 46.19 44.22 2oqp s LEU 92 CO 0.00 -0.19 2.17 -0.89 -0.55 0.00 0.00 176.35 176.89 2oqp s THR 93 N 1.70 3.03 -0.03 5.48 2.01 -1.26 -4.82 115.64 121.76 2oqp s THR 93 Ca -0.03 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2oqp s THR 93 Cb -0.12 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2oqp s THR 93 CO -0.06 -0.06 -0.00 0.00 -0.69 0.00 0.00 174.62 173.81 2oqp n PRO 95 N 4.00 0.14 -2.35 0.00 -0.04 -1.26 -4.97 135.00 130.52 2oqp n PRO 95 Ca -0.25 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.79 2oqp n PRO 95 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 2oqp n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2oqp s SER 96 N -1.25 7.04 0.04 3.54 0.01 -1.26 -4.93 113.70 116.89 2oqp s SER 96 Ca 0.00 2.20 -0.14 0.00 1.31 0.00 0.00 55.95 59.32 2oqp s SER 96 Cb 0.00 -2.60 -0.34 0.00 0.21 0.00 0.00 66.02 63.30 2oqp s SER 96 CO 0.00 -0.45 1.04 0.00 0.41 0.00 0.00 173.24 174.24 2oqp h ASP 98 N 0.15 0.00 -2.49 0.00 3.32 -1.91 -3.16 116.42 112.32 2oqp h ASP 98 Ca -0.23 0.00 -0.75 0.00 0.02 0.00 0.00 57.03 56.07 2oqp h ASP 98 Cb 2.12 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 41.46 2oqp h ASP 98 CO 0.26 0.00 1.15 -1.20 -1.72 0.00 0.00 179.24 177.73 2oqp n SER 99 N -3.10 5.30 0.00 6.45 7.64 -1.18 -4.55 113.62 124.18 2oqp n SER 99 Ca 0.01 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2oqp n SER 99 Cb 0.46 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 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 4.89 0.00 -0.53 1.43 4.01 -1.20 -4.92 117.16 120.84 2oqp n TYR 100 Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 2oqp n TYR 100 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 2oqp n TYR 100 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2oqp n GLU 101 N -0.71 -2.67 -0.35 -0.72 0.28 -1.26 -5.11 120.64 110.10 2oqp n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2oqp n GLU 101 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2oqp n GLU 101 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2oqp n LYS 102 N -0.02 2.91 0.00 3.44 4.76 -1.26 -2.95 118.16 125.04 2oqp n LYS 102 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2oqp n LYS 102 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2oqp n LYS 102 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2oqp n LYS 103 N -0.15 -0.31 -1.52 1.97 5.02 -0.11 -4.52 118.16 118.55 2oqp n LYS 103 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2oqp n LYS 103 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.19 2oqp n LYS 103 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2oqp s PRO 104 N -2.00 0.32 -0.03 1.97 0.04 -1.26 -2.65 135.00 131.39 2oqp s PRO 104 Ca 0.00 -0.02 -0.23 0.00 0.04 0.00 0.00 61.00 60.79 2oqp s PRO 104 Cb 0.00 -1.77 -0.22 0.00 0.04 0.00 0.00 34.50 32.54 2oqp s PRO 104 CO 0.00 -2.69 1.08 -1.00 0.04 0.00 0.00 177.00 174.43 2oqp h PRO 105 N -1.85 0.23 -0.88 0.56 0.13 -1.86 -0.69 132.00 127.63 2oqp h PRO 105 Ca -0.47 -0.22 0.23 0.00 -0.87 0.00 0.00 66.00 64.67 2oqp h PRO 105 Cb 1.29 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 2oqp h PRO 105 CO 0.47 0.92 0.32 1.57 -0.23 0.00 0.00 178.00 181.05 2oqp h LYS 106 N -0.38 0.29 0.15 0.86 2.10 -1.95 0.22 116.57 117.85 2oqp h LYS 106 Ca -0.03 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2oqp h LYS 106 Cb 1.01 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2oqp h LYS 106 CO 0.06 0.19 -0.07 0.93 -2.00 0.00 0.00 179.45 178.55 2oqp h GLU 107 N 0.29 -0.20 -1.53 0.07 5.08 -1.95 -1.43 114.58 114.91 2oqp h GLU 107 Ca 0.56 0.01 0.44 0.00 -1.00 0.00 0.00 59.36 59.38 2oqp h GLU 107 Cb 1.11 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2oqp h GLU 107 CO -0.59 0.13 1.19 0.35 -1.00 0.00 0.00 179.01 179.09 2oqp h PHE 108 N -0.98 0.00 0.00 4.33 3.57 -0.15 0.85 116.94 124.56 2oqp h PHE 108 Ca -0.02 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 2oqp h PHE 108 Cb 0.42 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2oqp h PHE 108 CO 0.07 0.00 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.42 2oqp h LEU 109 N 0.00 0.00 -2.47 0.59 -0.00 -0.62 -1.27 115.31 111.54 2oqp h LEU 109 Ca 0.73 -0.53 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2oqp h LEU 109 Cb 3.10 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 43.76 2oqp h LEU 109 CO -0.01 1.15 0.17 -0.33 -0.00 0.00 0.00 178.44 179.42 2oqp h GLU 110 N -1.00 0.00 0.00 1.13 4.39 0.92 -0.71 114.58 119.30 2oqp h GLU 110 Ca -0.16 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.24 2oqp h GLU 110 Cb 0.98 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 2oqp h GLU 110 CO -0.10 0.00 -1.65 0.54 -1.16 0.00 0.00 179.01 176.64 2oqp n ARG 111 N -3.01 0.57 0.04 2.33 5.12 0.25 -3.68 116.66 118.28 2oqp n ARG 111 Ca -0.02 0.46 -0.15 0.00 -1.93 0.00 0.00 57.85 56.21 2oqp n ARG 111 Cb 0.23 -1.65 -0.09 0.00 -1.16 0.00 0.00 32.46 29.80 2oqp n ARG 111 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2oqp h PHE 112 N -1.00 -1.44 -0.44 -1.55 3.57 -0.52 1.00 116.94 116.57 2oqp h PHE 112 Ca -0.44 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.19 2oqp h PHE 112 Cb 1.36 0.63 -0.08 0.00 2.79 0.00 0.00 35.95 40.65 2oqp h PHE 112 CO -0.00 -0.54 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.24 2oqp h LYS 113 N -0.62 0.03 0.13 1.11 3.11 -1.39 0.25 116.57 119.20 2oqp h LYS 113 Ca 0.03 -0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 2oqp h LYS 113 Cb 0.70 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.89 2oqp h LYS 113 CO -0.36 0.02 -0.21 1.03 -2.81 0.00 0.00 179.45 177.12 2oqp h SER 114 N 0.03 -0.58 -0.81 4.20 0.87 -1.38 0.19 113.55 116.08 2oqp h SER 114 Ca 0.21 0.07 0.19 0.00 -1.23 0.00 0.00 61.79 61.03 2oqp h SER 114 Cb 0.32 0.22 -0.12 0.00 -0.44 0.00 0.00 62.40 62.37 2oqp h SER 114 CO -0.42 -0.30 0.22 0.25 -0.53 0.00 0.00 176.83 176.06 2oqp h LEU 115 N -0.41 0.04 0.71 2.23 7.12 0.20 2.01 115.31 127.21 2oqp h LEU 115 Ca 0.02 0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 2oqp h LEU 115 Cb 0.42 0.22 0.01 0.00 -0.53 0.00 0.00 40.66 40.77 2oqp h LEU 115 CO -0.10 -0.08 -0.34 -0.07 -0.13 0.00 0.00 178.44 177.72 2oqp h LEU 116 N 0.27 -0.80 0.00 2.25 3.38 -0.07 -1.18 115.31 119.15 2oqp h LEU 116 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2oqp h LEU 116 Cb 0.89 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2oqp h LEU 116 CO -0.57 -0.49 0.00 0.00 0.09 0.00 0.00 178.44 177.47 2oqp n GLN 117 N -5.45 0.15 0.00 1.13 -0.00 0.60 0.64 117.38 114.45 2oqp n GLN 117 Ca -0.13 0.17 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 2oqp n GLN 117 Cb 0.39 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.13 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 -1.25 0.00 -0.05 2.61 5.02 0.67 -4.43 118.16 120.72 2oqp n LYS 118 Ca 0.05 0.31 -0.04 0.00 -2.02 0.00 0.00 58.31 56.61 2oqp n LYS 118 Cb 0.07 -0.79 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.85 0.32 -0.29 1.97 1.56 -0.53 -3.73 117.12 114.58 2oqp n MET 119 Ca 0.00 0.33 0.11 0.00 -0.27 0.00 0.00 57.70 57.87 2oqp n MET 119 Cb 0.00 -1.30 0.22 0.00 2.15 0.00 0.00 33.22 34.29 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2oqp n ILE 120 N -3.85 -0.34 0.00 1.12 -0.00 -0.56 0.17 119.36 115.89 2oqp n ILE 120 Ca -0.06 1.82 0.00 0.00 -0.00 0.00 0.00 62.75 64.50 2oqp n ILE 120 Cb 0.24 -2.63 0.00 0.00 -0.00 0.00 0.00 39.64 37.25 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 -5.20 0.00 -0.26 1.39 8.25 0.21 -2.48 115.22 117.12 2oqp n HIS 121 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 2oqp n HIS 121 Cb 0.60 -0.41 0.19 0.00 1.12 0.00 0.00 29.99 31.49 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 0.17 -0.94 -0.41 3.07 -0.91 0.22 115.11 116.30 2oqp h GLN 122 Ca 0.00 -0.01 0.23 0.00 0.09 0.00 0.00 58.65 58.96 2oqp h GLN 122 Cb 0.00 -0.04 -0.18 0.00 0.08 0.00 0.00 27.48 27.35 2oqp h GLN 122 CO 0.00 0.11 -0.10 1.58 0.09 0.00 0.00 178.83 180.51 2oqp n HIS 123 N -5.27 0.48 0.07 0.06 -0.00 0.44 0.14 115.22 111.14 2oqp n HIS 123 Ca 0.16 1.14 -0.21 0.00 0.46 0.00 0.00 57.72 59.26 2oqp n HIS 123 Cb 0.52 -1.13 -0.12 0.00 -0.12 0.00 0.00 29.99 29.13 2oqp n HIS 123 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2oqp h LEU 124 N 0.00 0.86 0.06 0.27 7.12 -0.33 -3.34 115.31 119.95 2oqp h LEU 124 Ca 0.52 -0.79 0.01 0.00 0.13 0.00 0.00 57.88 57.74 2oqp h LEU 124 Cb 0.95 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.79 2oqp h LEU 124 CO -0.92 1.56 -0.30 -1.28 -0.13 0.00 0.00 178.44 177.37 2oqp h SER 125 N 0.27 -0.90 0.00 1.25 0.87 0.30 -3.47 113.55 111.88 2oqp h SER 125 Ca -0.16 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2oqp h SER 125 Cb 1.79 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 64.08 2oqp h SER 125 CO 0.22 -0.31 0.00 -1.20 -0.53 0.00 0.00 176.83 175.01 2oqp n SER 126 N -4.13 -0.96 -2.48 6.23 7.64 0.21 -5.07 113.62 115.06 2oqp n SER 126 Ca -0.05 0.42 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 2oqp n SER 126 Cb 0.23 1.16 -0.01 0.00 -1.01 0.00 0.00 64.21 64.58 2oqp n SER 126 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2oqp n ARG 127 N -2.81 -3.17 -2.03 1.43 0.63 -1.19 -4.80 116.66 104.72 2oqp n ARG 127 Ca 0.00 2.57 -0.36 0.00 -0.92 0.00 0.00 57.85 59.14 2oqp n ARG 127 Cb 0.00 -4.59 -0.03 0.00 0.45 0.00 0.00 32.46 28.29 2oqp n ARG 127 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2oqp s THR 128 N -1.14 3.37 0.00 5.15 -4.23 -1.26 -4.30 115.64 113.23 2oqp s THR 128 Ca -0.06 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2oqp s THR 128 Cb 0.00 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2oqp s THR 128 CO 0.66 -0.90 0.00 1.41 -0.54 0.00 0.00 174.62 175.25 2oqp n HIS 129 N 13.11 0.00 -3.65 3.99 -0.00 -1.26 -4.73 115.22 122.68 2oqp n HIS 129 Ca 0.25 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.68 2oqp n HIS 129 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.51 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 0.00 -0.77 3.65 -1.41 0.00 -1.26 -4.98 105.19 100.41 2oqp n GLY 130 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 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 -2.43 -0.24 0.44 1.61 1.04 -1.26 -4.80 113.70 108.06 2oqp s SER 131 Ca 0.15 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2oqp s SER 131 Cb -0.02 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2oqp s SER 131 CO 0.88 -0.07 0.00 -0.62 0.98 0.00 0.00 173.24 174.41 2oqp n GLU 132 N 2.31 -2.81 0.00 4.02 1.02 -1.26 -5.03 120.64 118.89 2oqp n GLU 132 Ca -0.13 2.11 0.00 0.00 -0.02 0.00 0.00 57.16 59.12 2oqp n GLU 132 Cb 0.57 -3.41 0.00 0.00 -0.02 0.00 0.00 31.44 28.58 2oqp n GLU 132 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2oqp n ASP 133 N -4.31 0.00 0.00 1.62 -0.08 -1.26 -4.96 116.55 107.56 2oqp n ASP 133 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2oqp n ASP 133 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 2oqp n ASP 133 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12