#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 0.00 -0.15 2.12 6.02 -1.26 -5.15 117.38 118.96 2oqp n GLN 2 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2oqp n GLN 2 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 2oqp n GLN 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oqp n GLY 3 N 0.00 -1.23 3.78 1.08 0.00 -1.26 -5.01 105.19 102.54 2oqp n GLY 3 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 2oqp n GLY 3 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oqp s GLN 4 N -0.25 1.71 0.11 1.61 1.11 -1.26 -5.17 119.66 117.52 2oqp s GLN 4 Ca 0.00 -1.02 0.09 0.00 0.01 0.00 0.00 55.36 54.45 2oqp s GLN 4 Cb 0.00 0.58 -0.04 0.00 -1.01 0.00 0.00 33.01 32.54 2oqp s GLN 4 CO 0.00 -0.77 -0.23 -0.51 0.01 0.00 0.00 175.29 173.79 2oqp s ASP 5 N -2.93 2.87 0.50 5.90 1.01 -1.26 -4.94 116.67 117.81 2oqp s ASP 5 Ca 0.13 -0.72 0.29 0.00 0.71 0.00 0.00 52.55 52.96 2oqp s ASP 5 Cb -0.05 -0.17 1.21 0.00 1.01 0.00 0.00 42.92 44.92 2oqp s ASP 5 CO 0.06 0.11 1.94 0.03 0.21 0.00 0.00 175.17 177.52 2oqp h ARG 6 N 3.98 0.00 0.19 8.23 3.08 -1.99 -2.01 114.38 125.86 2oqp h ARG 6 Ca -0.48 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.24 2oqp h ARG 6 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.24 2oqp h ARG 6 CO 0.39 0.12 -1.56 0.45 -1.07 0.00 0.00 179.97 178.31 2oqp h HIS 7 N 0.00 0.73 -0.41 3.04 3.86 -1.98 -2.71 115.15 117.68 2oqp h HIS 7 Ca -0.00 -0.53 -0.03 0.00 -1.16 0.00 0.00 60.37 58.64 2oqp h HIS 7 Cb 0.58 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 2oqp h HIS 7 CO 0.00 1.53 0.14 0.52 0.86 0.00 0.00 177.93 180.98 2oqp h MET 8 N 0.11 0.63 -0.08 2.45 2.86 -1.90 -2.41 114.93 116.60 2oqp h MET 8 Ca -0.27 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.14 2oqp h MET 8 Cb 2.10 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.65 2oqp h MET 8 CO 0.21 0.62 -0.40 -0.84 1.06 0.00 0.00 176.91 177.56 2oqp h ILE 9 N 0.52 1.30 -0.99 -1.22 -0.00 -1.49 1.56 117.51 117.19 2oqp h ILE 9 Ca 0.13 -1.47 0.06 0.00 -0.00 0.00 0.00 64.86 63.58 2oqp h ILE 9 Cb 0.24 1.70 -0.06 0.00 -0.00 0.00 0.00 36.82 38.70 2oqp h ILE 9 CO -0.01 0.43 0.64 -0.09 -0.00 0.00 0.00 178.15 179.13 2oqp h ARG 10 N 0.14 1.15 0.02 0.16 9.65 -1.09 -0.35 114.38 124.05 2oqp h ARG 10 Ca 0.01 -0.07 -0.38 0.00 -1.10 0.00 0.00 59.98 58.44 2oqp h ARG 10 Cb 0.78 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 2oqp h ARG 10 CO 0.06 0.76 -2.18 0.00 2.80 0.00 0.00 179.97 181.41 2oqp n MET 11 N -4.50 0.62 -0.21 0.20 0.00 -1.00 -4.21 117.12 108.02 2oqp n MET 11 Ca 0.15 0.31 -0.00 0.00 0.00 0.00 0.00 57.70 58.15 2oqp n MET 11 Cb 0.16 -1.58 0.07 0.00 0.00 0.00 0.00 33.22 31.86 2oqp n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2oqp h ARG 12 N -0.63 0.03 -0.81 3.17 3.08 0.22 0.28 114.38 119.73 2oqp h ARG 12 Ca -0.56 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.65 2oqp h ARG 12 Cb 1.67 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.61 2oqp h ARG 12 CO -0.23 0.02 0.35 1.96 -1.07 0.00 0.00 179.97 180.99 2oqp h GLN 13 N 0.03 0.46 0.37 0.04 4.20 -1.23 0.21 115.11 119.19 2oqp h GLN 13 Ca 0.31 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 2oqp h GLN 13 Cb 0.48 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2oqp h GLN 13 CO -0.61 0.30 -0.18 -0.07 -0.67 0.00 0.00 178.83 177.61 2oqp h LEU 14 N 0.47 -0.42 -0.99 1.46 3.38 -0.68 0.81 115.31 119.35 2oqp h LEU 14 Ca 0.46 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.76 2oqp h LEU 14 Cb 0.73 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.41 2oqp h LEU 14 CO -0.43 -0.27 0.24 0.40 0.09 0.00 0.00 178.44 178.48 2oqp h ILE 15 N -0.55 0.04 -0.00 1.22 5.03 -0.67 1.08 117.51 123.66 2oqp h ILE 15 Ca -0.05 -0.01 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2oqp h ILE 15 Cb 0.38 0.01 -0.00 0.00 -3.03 0.00 0.00 36.82 34.17 2oqp h ILE 15 CO 0.08 0.01 -0.00 -0.78 -0.68 0.00 0.00 178.15 176.78 2oqp h ASP 16 N 0.03 0.01 -0.79 1.72 1.82 -0.41 -1.47 116.42 117.33 2oqp h ASP 16 Ca 0.69 -0.38 0.18 0.00 -0.39 0.00 0.00 57.03 57.12 2oqp h ASP 16 Cb 1.60 -0.00 -0.11 0.00 0.68 0.00 0.00 39.33 41.49 2oqp h ASP 16 CO -0.84 0.39 0.26 0.40 -1.61 0.00 0.00 179.24 177.84 2oqp h ILE 17 N -0.38 0.52 0.32 2.25 5.03 0.80 0.39 117.51 126.45 2oqp h ILE 17 Ca 0.00 -0.12 -0.02 0.00 -0.12 0.00 0.00 64.86 64.61 2oqp h ILE 17 Cb 0.39 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 2oqp h ILE 17 CO 0.00 0.06 -0.15 0.58 -0.68 0.00 0.00 178.15 177.96 2oqp h VAL 18 N 0.34 0.00 -1.02 1.67 2.07 -0.08 -0.57 116.25 118.66 2oqp h VAL 18 Ca 0.46 -0.03 0.39 0.00 0.82 0.00 0.00 66.70 68.34 2oqp h VAL 18 Cb 0.80 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.40 2oqp h VAL 18 CO -0.50 0.00 0.57 -0.78 0.02 0.00 0.00 177.57 176.88 2oqp h ASP 19 N -0.46 0.37 -0.21 0.57 1.82 -0.65 1.75 116.42 119.60 2oqp h ASP 19 Ca -0.04 0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2oqp h ASP 19 Cb 0.33 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 2oqp h ASP 19 CO 0.07 -0.34 0.11 -0.61 -1.61 0.00 0.00 179.24 176.86 2oqp h GLN 20 N 0.10 0.30 -0.09 0.28 4.15 0.06 0.60 115.11 120.51 2oqp h GLN 20 Ca 0.82 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 60.05 2oqp h GLN 20 Cb 2.12 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.74 2oqp h GLN 20 CO -0.70 0.30 -0.60 1.25 -1.93 0.00 0.00 178.83 177.15 2oqp h LEU 21 N 0.23 0.35 -0.49 -2.39 7.12 0.35 -2.92 115.31 117.55 2oqp h LEU 21 Ca 0.07 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2oqp h LEU 21 Cb 0.09 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 2oqp h LEU 21 CO -0.01 0.87 0.32 0.11 -0.13 0.00 0.00 178.44 179.60 2oqp h LYS 22 N 0.23 0.66 0.00 1.25 1.57 0.23 0.26 116.57 120.76 2oqp h LYS 22 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2oqp h LYS 22 Cb 1.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2oqp h LYS 22 CO 0.10 0.45 0.00 0.09 -0.57 0.00 0.00 179.45 179.52 2oqp n ASN 23 N -4.73 0.00 -0.24 0.86 3.02 0.17 -1.57 115.26 112.77 2oqp n ASN 23 Ca 0.02 -0.29 0.02 0.00 -0.03 0.00 0.00 54.58 54.30 2oqp n ASN 23 Cb 0.03 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 2oqp n ASN 23 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2oqp n TYR 24 N -1.14 0.13 -0.64 3.10 4.01 0.65 -4.66 117.16 118.60 2oqp n TYR 24 Ca 0.12 -0.33 0.50 0.00 -0.16 0.00 0.00 57.90 58.03 2oqp n TYR 24 Cb 0.11 -0.03 0.80 0.00 -0.31 0.00 0.00 39.34 39.91 2oqp n TYR 24 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2oqp h VAL 25 N 0.89 0.06 -0.72 -0.72 -1.51 0.20 1.54 116.25 115.99 2oqp h VAL 25 Ca 0.00 -0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.68 2oqp h VAL 25 Cb 0.46 0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 29.65 2oqp h VAL 25 CO 0.00 0.00 0.85 -1.13 -1.23 0.00 0.00 177.57 176.06 2oqp h ASN 26 N 0.01 0.00 -1.80 4.19 -1.24 -1.83 0.61 115.58 115.52 2oqp h ASN 26 Ca 0.89 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 57.31 2oqp h ASN 26 Cb 3.48 0.00 -0.42 0.00 0.73 0.00 0.00 38.32 42.11 2oqp h ASN 26 CO -0.06 0.00 -0.72 0.47 -1.29 0.00 0.00 177.43 175.83 2oqp n ASP 27 N -3.42 4.46 -4.27 1.15 9.92 0.53 -4.91 116.55 120.01 2oqp n ASP 27 Ca 0.15 -3.67 -0.30 0.00 -0.53 0.00 0.00 54.79 50.45 2oqp n ASP 27 Cb 1.09 -0.50 -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 -3.48 2.04 -0.22 0.64 1.43 0.21 -2.67 118.68 116.63 2oqp s LEU 28 Ca 0.48 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2oqp s LEU 28 Cb 0.36 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 2oqp s LEU 28 CO -0.16 0.29 0.10 0.54 0.23 0.00 0.00 176.35 177.34 2oqp s VAL 29 N -0.52 4.79 -0.24 -1.59 0.11 -0.54 -4.01 120.40 118.39 2oqp s VAL 29 Ca 0.08 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 2oqp s VAL 29 Cb -0.10 -3.21 -0.01 0.00 -1.53 0.00 0.00 36.38 31.54 2oqp s VAL 29 CO -0.01 0.38 1.32 -2.16 -3.33 0.00 0.00 175.10 171.30 2oqp s PRO 30 N 1.05 4.03 0.10 1.54 0.04 -1.26 -4.70 135.00 135.79 2oqp s PRO 30 Ca 0.05 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.48 2oqp s PRO 30 Cb -0.14 -3.85 -0.02 0.00 0.04 0.00 0.00 34.50 30.53 2oqp s PRO 30 CO 0.04 -0.98 0.14 -1.21 0.04 0.00 0.00 177.00 175.03 2oqp s GLU 31 N 3.96 0.87 -0.76 4.56 0.41 -1.26 -5.05 118.70 121.43 2oqp s GLU 31 Ca 0.57 -1.15 -0.26 0.00 -0.41 0.00 0.00 54.97 53.73 2oqp s GLU 31 Cb -0.19 0.30 -0.07 0.00 -1.78 0.00 0.00 34.13 32.39 2oqp s GLU 31 CO 0.20 -0.26 2.12 -0.06 -0.49 0.00 0.00 175.26 176.77 2oqp s PHE 32 N -3.93 1.50 -0.15 1.61 0.08 -1.26 -4.59 117.98 111.24 2oqp s PHE 32 Ca 0.11 1.16 -0.04 0.00 0.12 0.00 0.00 56.93 58.28 2oqp s PHE 32 Cb 0.06 -3.83 -0.03 0.00 -0.57 0.00 0.00 43.02 38.65 2oqp s PHE 32 CO -0.06 -1.93 -0.03 -0.51 -0.10 0.00 0.00 175.22 172.60 2oqp s LEU 33 N 11.43 3.33 -0.71 -0.37 1.02 -1.11 -4.91 118.68 127.37 2oqp s LEU 33 Ca 0.79 -0.09 -0.26 0.00 0.02 0.00 0.00 54.13 54.59 2oqp s LEU 33 Cb -0.11 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.30 2oqp s LEU 33 CO 0.10 0.19 1.58 -2.16 0.02 0.00 0.00 176.35 176.07 2oqp s PRO 34 N 0.25 2.93 -0.31 1.29 0.04 -1.26 -1.01 135.00 136.93 2oqp s PRO 34 Ca -0.02 0.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.02 2oqp s PRO 34 Cb -0.14 -4.39 0.01 0.00 0.04 0.00 0.00 34.50 30.03 2oqp s PRO 34 CO 0.03 -2.47 0.11 0.00 0.04 0.00 0.00 177.00 174.70 2oqp s ALA 35 N 7.38 3.12 -0.24 8.56 0.00 -1.26 -4.29 121.76 135.04 2oqp s ALA 35 Ca 0.51 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 2oqp s ALA 35 Cb -0.09 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 2oqp s ALA 35 CO 0.15 -1.01 1.31 -1.25 0.00 0.00 0.00 175.76 174.96 2oqp s PRO 36 N 1.51 4.04 -0.42 0.00 0.04 -1.26 -4.85 135.00 134.06 2oqp s PRO 36 Ca 0.02 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 2oqp s PRO 36 Cb -0.18 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.54 2oqp s PRO 36 CO 0.03 -0.96 0.50 -2.00 0.04 0.00 0.00 177.00 174.61 2oqp s GLU 37 N 3.93 3.21 -0.15 4.56 2.56 -1.26 -4.70 118.70 126.85 2oqp s GLU 37 Ca 0.57 -0.59 -0.10 0.00 0.00 0.00 0.00 54.97 54.84 2oqp s GLU 37 Cb -0.19 -3.94 0.04 0.00 2.00 0.00 0.00 34.13 32.03 2oqp s GLU 37 CO 0.20 -0.87 0.21 -0.25 -0.56 0.00 0.00 175.26 173.99 2oqp n ASP 38 N 5.79 -1.65 -4.80 -1.70 8.00 -1.26 -5.02 116.55 115.91 2oqp n ASP 38 Ca -0.06 1.29 -0.23 0.00 0.71 0.00 0.00 54.79 56.51 2oqp n ASP 38 Cb 0.48 -4.62 -0.05 0.00 -0.02 0.00 0.00 41.12 36.91 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 -0.54 4.32 1.04 2.53 -7.23 -1.26 -5.09 120.40 114.16 2oqp s VAL 39 Ca -0.24 -1.43 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 2oqp s VAL 39 Cb 0.02 -3.32 0.14 0.00 0.56 0.00 0.00 36.38 33.78 2oqp s VAL 39 CO 0.65 -0.32 0.60 1.21 -0.31 0.00 0.00 175.10 176.92 2oqp n GLU 40 N -1.04 -1.16 -0.21 4.82 2.13 -1.26 -4.70 120.64 119.22 2oqp n GLU 40 Ca -0.08 -0.30 -0.00 0.00 0.66 0.00 0.00 57.16 57.44 2oqp n GLU 40 Cb 0.58 -2.00 0.07 0.00 0.27 0.00 0.00 31.44 30.36 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 -2.02 0.41 -2.04 6.31 2.02 -2.01 -2.02 112.91 113.56 2oqp h THR 41 Ca -0.50 -0.01 -0.63 0.00 0.77 0.00 0.00 66.41 66.04 2oqp h THR 41 Cb 1.31 0.38 -0.39 0.00 -1.74 0.00 0.00 68.15 67.71 2oqp h THR 41 CO 0.40 0.01 -0.36 0.59 0.37 0.00 0.00 175.52 176.52 2oqp n ASN 42 N -5.39 5.09 0.00 4.18 3.02 -1.26 -4.59 115.26 116.31 2oqp n ASN 42 Ca 0.08 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 2oqp n ASN 42 Cb 0.33 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2oqp n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oqp h GLU 44 N 0.00 0.01 0.07 0.00 -0.00 -1.80 1.95 114.58 114.81 2oqp h GLU 44 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2oqp h GLU 44 Cb 0.62 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.37 2oqp h GLU 44 CO 0.00 0.01 -0.03 -1.49 -0.00 0.00 0.00 179.01 177.49 2oqp h TRP 45 N 0.01 -0.09 0.00 2.06 -0.00 -1.90 1.12 115.95 117.15 2oqp h TRP 45 Ca 0.90 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.79 2oqp h TRP 45 Cb 3.41 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 32.60 2oqp h TRP 45 CO -0.00 0.02 0.00 0.77 -0.00 0.00 0.00 178.44 179.23 2oqp h SER 46 N -0.18 0.00 0.56 -3.49 0.02 0.29 -2.33 113.55 108.41 2oqp h SER 46 Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 2oqp h SER 46 Cb 0.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2oqp h SER 46 CO 0.02 0.00 -1.55 0.00 -1.14 0.00 0.00 176.83 174.16 2oqp h ALA 47 N 2.17 0.55 -0.73 3.77 0.00 0.36 -3.32 119.26 122.06 2oqp h ALA 47 Ca 0.00 -1.27 0.21 0.00 0.00 0.00 0.00 54.91 53.85 2oqp h ALA 47 Cb 0.42 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2oqp h ALA 47 CO 0.00 1.40 0.90 0.35 0.00 0.00 0.00 179.25 181.90 2oqp h PHE 48 N 0.02 0.00 -0.35 0.00 3.04 0.18 1.28 116.94 121.12 2oqp h PHE 48 Ca -0.23 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.60 2oqp h PHE 48 Cb 1.97 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.47 2oqp h PHE 48 CO 0.02 0.00 -0.25 0.66 -2.02 0.00 0.00 178.31 176.72 2oqp h SER 49 N 0.00 0.82 -0.58 0.41 4.64 -1.70 -2.76 113.55 114.38 2oqp h SER 49 Ca 0.35 -0.44 0.12 0.00 -0.47 0.00 0.00 61.79 61.34 2oqp h SER 49 Cb 2.14 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 63.90 2oqp h SER 49 CO -0.00 1.09 0.02 0.00 -0.87 0.00 0.00 176.83 177.07 2oqp h PHE 51 N 0.14 0.00 0.24 0.00 0.04 -1.48 0.95 116.94 116.84 2oqp h PHE 51 Ca 0.30 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.73 2oqp h PHE 51 Cb 0.48 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.66 2oqp h PHE 51 CO -0.33 0.05 -1.57 1.96 -0.60 0.00 0.00 178.31 177.82 2oqp h GLN 52 N 0.00 0.50 0.07 1.51 1.08 0.12 -3.33 115.11 115.06 2oqp h GLN 52 Ca -0.00 -0.86 -0.24 0.00 -1.45 0.00 0.00 58.65 56.10 2oqp h GLN 52 Cb 0.24 0.32 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2oqp h GLN 52 CO 0.01 1.41 -1.09 -0.22 -0.95 0.00 0.00 178.83 177.99 2oqp h LYS 53 N 0.13 0.21 -0.95 1.46 3.11 0.56 -3.31 116.57 117.79 2oqp h LYS 53 Ca -0.29 -0.32 0.14 0.00 -2.81 0.00 0.00 60.65 57.37 2oqp h LYS 53 Cb 2.15 0.11 -0.15 0.00 -1.00 0.00 0.00 32.23 33.35 2oqp h LYS 53 CO 0.25 1.11 -0.43 0.00 -2.81 0.00 0.00 179.45 177.57 2oqp h ALA 54 N 0.76 -0.02 -4.54 5.00 0.00 0.82 -3.47 119.26 117.82 2oqp h ALA 54 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2oqp h ALA 54 Cb 1.80 1.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.64 2oqp h ALA 54 CO 0.17 -0.71 -0.85 0.94 0.00 0.00 0.00 179.25 178.80 2oqp n GLN 55 N -5.42 -2.80 -2.34 0.00 7.27 -1.25 -4.90 117.38 107.93 2oqp n GLN 55 Ca 0.08 2.33 -0.42 0.00 0.07 0.00 0.00 57.00 59.05 2oqp n GLN 55 Cb 0.37 -4.17 -0.03 0.00 2.41 0.00 0.00 30.24 28.82 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 -1.01 4.31 0.12 1.69 1.98 -1.26 -5.02 118.68 119.49 2oqp s LEU 56 Ca -0.06 1.99 0.10 0.00 -2.89 0.00 0.00 54.13 53.27 2oqp s LEU 56 Cb 0.00 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.25 2oqp s LEU 56 CO 0.58 -0.63 -0.24 -0.75 -1.89 0.00 0.00 176.35 173.41 2oqp s LYS 57 N 2.12 1.30 0.21 1.98 2.47 -1.26 -4.86 119.74 121.69 2oqp s LYS 57 Ca 0.60 -1.29 0.01 0.00 -1.56 0.00 0.00 55.97 53.73 2oqp s LYS 57 Cb -0.29 -1.70 -0.04 0.00 -1.46 0.00 0.00 37.83 34.35 2oqp s LYS 57 CO 0.25 0.40 0.37 -1.54 0.16 0.00 0.00 175.35 174.99 2oqp s SER 58 N -2.05 6.35 0.66 1.43 1.04 -1.26 -1.47 113.70 118.40 2oqp s SER 58 Ca 0.12 0.28 0.33 0.00 0.48 0.00 0.00 55.95 57.16 2oqp s SER 58 Cb -0.10 -1.95 1.82 0.00 0.10 0.00 0.00 66.02 65.89 2oqp s SER 58 CO 0.06 -0.04 2.02 0.00 0.98 0.00 0.00 173.24 176.25 2oqp h ALA 59 N 1.77 1.24 -5.11 5.32 0.00 -1.64 -3.39 119.26 117.45 2oqp h ALA 59 Ca -0.49 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 2oqp h ALA 59 Cb 1.20 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.13 2oqp h ALA 59 CO 0.66 -0.24 -0.64 0.09 0.00 0.00 0.00 179.25 179.13 2oqp n ASN 60 N -2.91 -2.99 -1.12 0.00 4.13 -1.26 -4.92 115.26 106.20 2oqp n ASN 60 Ca -0.02 -0.51 0.01 0.00 1.68 0.00 0.00 54.58 55.74 2oqp n ASN 60 Cb 0.29 -4.42 0.00 0.00 -1.54 0.00 0.00 39.78 34.12 2oqp n ASN 60 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2oqp n THR 61 N -3.91 0.00 -3.61 3.41 -2.24 -1.26 -5.10 114.28 101.57 2oqp n THR 61 Ca -0.18 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 2oqp n THR 61 Cb 0.62 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 2oqp n THR 61 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2oqp s GLY 62 N -1.48 -0.31 0.13 3.38 0.00 -1.26 -5.05 107.32 102.73 2oqp s GLY 62 Ca 0.19 0.03 -0.19 0.00 0.00 0.00 0.00 44.72 44.75 2oqp s GLY 62 CO -0.09 -0.19 1.75 -0.57 0.00 0.00 0.00 173.10 174.00 2oqp h ASN 63 N 2.23 0.06 -1.67 1.64 -1.24 -2.02 -0.22 115.58 114.37 2oqp h ASN 63 Ca -0.33 0.03 0.48 0.00 0.71 0.00 0.00 56.30 57.19 2oqp h ASN 63 Cb 1.27 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 40.27 2oqp h ASN 63 CO 0.42 0.07 1.25 0.78 -1.29 0.00 0.00 177.43 178.66 2oqp h ASN 64 N 0.16 0.00 -0.87 1.15 2.35 -1.98 0.23 115.58 116.63 2oqp h ASN 64 Ca 0.10 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 56.16 2oqp h ASN 64 Cb 0.07 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.28 2oqp h ASN 64 CO -0.11 0.00 0.27 1.21 -1.65 0.00 0.00 177.43 177.16 2oqp n GLU 65 N -3.93 -0.06 0.08 0.81 0.00 -0.09 0.17 120.64 117.62 2oqp n GLU 65 Ca 0.37 1.25 -0.11 0.00 0.00 0.00 0.00 57.16 58.67 2oqp n GLU 65 Cb 1.76 -2.12 -0.07 0.00 0.00 0.00 0.00 31.44 31.01 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 -0.27 -0.65 5.31 9.65 -0.73 -3.15 114.38 124.54 2oqp h ARG 66 Ca 0.65 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.67 2oqp h ARG 66 Cb 1.58 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 30.13 2oqp h ARG 66 CO -0.73 0.12 0.18 0.97 2.80 0.00 0.00 179.97 183.30 2oqp h ILE 67 N -0.89 0.64 -1.04 1.20 -0.00 -0.08 0.34 117.51 117.67 2oqp h ILE 67 Ca -0.03 -0.11 0.29 0.00 -0.00 0.00 0.00 64.86 65.01 2oqp h ILE 67 Cb 0.51 0.30 -0.12 0.00 -0.00 0.00 0.00 36.82 37.50 2oqp h ILE 67 CO 0.05 0.06 0.63 0.40 -0.00 0.00 0.00 178.15 179.29 2oqp h ILE 68 N 0.31 0.44 -0.19 2.19 5.03 0.17 1.86 117.51 127.32 2oqp h ILE 68 Ca 0.35 -0.14 0.06 0.00 -0.12 0.00 0.00 64.86 65.00 2oqp h ILE 68 Cb 0.52 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.28 2oqp h ILE 68 CO -0.41 0.08 0.48 -1.13 -0.68 0.00 0.00 178.15 176.49 2oqp h ASN 69 N 0.42 0.00 0.51 1.72 -0.73 -0.28 1.53 115.58 118.76 2oqp h ASN 69 Ca 0.67 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.64 2oqp h ASN 69 Cb 1.54 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.12 2oqp h ASN 69 CO -0.45 0.00 -0.87 -0.37 -0.37 0.00 0.00 177.43 175.36 2oqp h VAL 70 N 0.00 1.47 0.00 2.57 -1.51 0.28 -2.24 116.25 116.82 2oqp h VAL 70 Ca 0.09 -2.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 2oqp h VAL 70 Cb 1.04 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 2oqp h VAL 70 CO -0.00 0.74 0.00 0.28 -1.23 0.00 0.00 177.57 177.36 2oqp h SER 71 N 0.14 0.00 0.00 4.19 0.02 0.21 -3.11 113.55 115.00 2oqp h SER 71 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2oqp h SER 71 Cb 1.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2oqp h SER 71 CO 0.14 0.00 -0.05 0.40 -1.14 0.00 0.00 176.83 176.18 2oqp h ILE 72 N 0.00 0.00 -1.32 3.27 2.04 -1.10 0.11 117.51 120.51 2oqp h ILE 72 Ca 0.00 -0.38 0.47 0.00 1.00 0.00 0.00 64.86 65.95 2oqp h ILE 72 Cb 0.71 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.65 2oqp h ILE 72 CO 0.00 0.00 0.83 0.07 0.00 0.00 0.00 178.15 179.05 2oqp h LYS 73 N -0.38 0.01 0.00 2.37 2.10 -1.52 0.73 116.57 119.88 2oqp h LYS 73 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2oqp h LYS 73 Cb 0.05 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2oqp h LYS 73 CO 0.00 0.01 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.22 2oqp h LYS 74 N 0.01 0.00 -1.63 0.07 1.63 -1.66 -3.29 116.57 111.70 2oqp h LYS 74 Ca 0.87 0.00 0.50 0.00 -0.85 0.00 0.00 60.65 61.17 2oqp h LYS 74 Cb 2.73 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 34.26 2oqp h LYS 74 CO -0.51 0.00 1.12 1.25 -3.45 0.00 0.00 179.45 177.86 2oqp h LEU 75 N -1.00 0.10 -4.47 5.20 5.85 0.21 0.12 115.31 121.33 2oqp h LEU 75 Ca 0.00 0.07 -0.41 0.00 0.84 0.00 0.00 57.88 58.38 2oqp h LEU 75 Cb 0.02 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2oqp h LEU 75 CO 0.00 -0.10 1.28 0.29 -0.34 0.00 0.00 178.44 179.57 2oqp n LYS 76 N -4.31 2.75 -3.38 1.25 5.02 0.22 -4.63 118.16 115.08 2oqp n LYS 76 Ca 0.40 -1.64 -0.33 0.00 -2.02 0.00 0.00 58.31 54.72 2oqp n LYS 76 Cb 1.72 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 2oqp n LYS 76 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2oqp s ARG 77 N 1.09 3.86 0.23 1.97 3.52 0.43 -4.97 118.95 125.07 2oqp s ARG 77 Ca 0.67 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 56.56 2oqp s ARG 77 Cb 0.27 -2.70 -0.06 0.00 -1.56 0.00 0.00 34.95 30.90 2oqp s ARG 77 CO -0.04 0.34 0.51 -1.59 -0.81 0.00 0.00 175.30 173.71 2oqp s LYS 78 N -2.63 3.71 1.01 5.12 0.00 -1.26 -4.85 119.74 120.85 2oqp s LYS 78 Ca 0.46 0.12 -0.15 0.00 0.00 0.00 0.00 55.97 56.39 2oqp s LYS 78 Cb -0.12 -2.69 0.20 0.00 0.00 0.00 0.00 37.83 35.22 2oqp s LYS 78 CO 0.20 0.32 1.19 -1.25 0.00 0.00 0.00 175.35 175.81 2oqp s PRO 79 N -2.99 0.30 1.02 1.78 0.04 -1.26 -5.06 135.00 128.83 2oqp s PRO 79 Ca 0.45 -0.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.31 2oqp s PRO 79 Cb -0.11 -1.77 0.20 0.00 0.04 0.00 0.00 34.50 32.86 2oqp s PRO 79 CO 0.24 -2.70 1.19 -1.25 0.04 0.00 0.00 177.00 174.52 2oqp s PRO 80 N -5.50 0.26 -1.00 0.56 0.04 -1.26 -4.83 135.00 123.28 2oqp s PRO 80 Ca 0.69 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 2oqp s PRO 80 Cb -0.10 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.46 2oqp s PRO 80 CO 0.54 -2.73 2.19 0.43 0.04 0.00 0.00 177.00 177.47 2oqp n SER 81 N -4.07 1.40 0.00 6.66 7.64 -1.26 -2.42 113.62 121.57 2oqp n SER 81 Ca 0.11 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2oqp n SER 81 Cb 0.59 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 8.99 0.00 0.00 0.44 5.66 -1.26 -5.05 114.28 123.06 2oqp n THR 82 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 2oqp n THR 82 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 2oqp n THR 82 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2oqp n ASN 83 N 0.00 0.00 -2.50 1.09 2.85 -1.02 -4.69 115.26 110.99 2oqp n ASN 83 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 2oqp n ASN 83 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2oqp n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2oqp n ALA 84 N 0.00 -3.33 0.00 5.20 0.00 -1.26 -3.88 120.51 117.24 2oqp n ALA 84 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2oqp n ALA 84 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.40 -1.81 2.04 0.00 0.00 -1.26 -4.33 105.19 100.22 2oqp n GLY 85 Ca 0.02 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2oqp n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqp n ARG 86 N 0.00 0.00 -3.65 1.61 1.74 -1.26 -5.15 116.66 109.95 2oqp n ARG 86 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2oqp n ARG 86 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 2oqp n ARG 86 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2oqp s ARG 87 N -1.50 0.16 -0.15 5.56 1.70 -1.26 -5.09 118.95 118.36 2oqp s ARG 87 Ca 0.00 0.23 -0.10 0.00 -0.47 0.00 0.00 55.73 55.39 2oqp s ARG 87 Cb 0.00 0.05 0.04 0.00 -0.57 0.00 0.00 34.95 34.47 2oqp s ARG 87 CO 0.00 -0.03 0.21 1.04 -1.08 0.00 0.00 175.30 175.44 2oqp n GLN 88 N 2.62 -4.02 -3.93 3.89 6.02 -1.26 -4.97 117.38 115.72 2oqp n GLN 88 Ca -0.15 3.07 -0.35 0.00 -0.01 0.00 0.00 57.00 59.56 2oqp n GLN 88 Cb 0.57 -4.28 -0.14 0.00 1.02 0.00 0.00 30.24 27.41 2oqp n GLN 88 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2oqp s LYS 89 N -0.54 3.43 0.07 -1.09 3.01 -1.26 -5.01 119.74 118.36 2oqp s LYS 89 Ca -0.24 -0.60 -0.33 0.00 -1.01 0.00 0.00 55.97 53.79 2oqp s LYS 89 Cb 0.02 -3.04 -0.18 0.00 -1.01 0.00 0.00 37.83 33.61 2oqp s LYS 89 CO 0.65 -0.17 1.62 1.25 0.51 0.00 0.00 175.35 179.21 2oqp h HIS 90 N 8.03 -0.87 -0.13 3.18 -0.00 -2.03 -3.35 115.15 119.99 2oqp h HIS 90 Ca -0.40 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2oqp h HIS 90 Cb 1.17 0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 28.87 2oqp h HIS 90 CO 0.59 -0.52 0.02 0.54 -0.00 0.00 0.00 177.93 178.56 2oqp n ARG 91 N -5.48 0.18 0.00 5.26 5.12 -1.26 -4.76 116.66 115.72 2oqp n ARG 91 Ca -0.13 -1.52 0.00 0.00 -1.93 0.00 0.00 57.85 54.27 2oqp n ARG 91 Cb 0.37 -3.87 0.00 0.00 -1.16 0.00 0.00 32.46 27.80 2oqp n ARG 91 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2oqp n LEU 92 N 19.66 0.00 -3.90 0.55 -0.00 -1.26 -4.73 117.00 127.32 2oqp n LEU 92 Ca 0.42 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 56.18 2oqp n LEU 92 Cb 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.71 2oqp n LEU 92 CO 0.58 -0.20 -0.43 -0.89 -0.00 0.00 0.00 177.39 176.45 2oqp s THR 93 N 0.00 0.82 -0.11 1.47 2.01 -1.26 -4.62 115.64 113.94 2oqp s THR 93 Ca 0.00 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 2oqp s THR 93 Cb 0.00 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 2oqp s THR 93 CO 0.00 0.32 0.25 0.00 -0.69 0.00 0.00 174.62 174.49 2oqp n PRO 95 N 2.61 2.42 0.00 0.00 -0.04 -1.26 -4.89 135.00 133.84 2oqp n PRO 95 Ca -0.16 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.43 2oqp n PRO 95 Cb 0.53 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 2oqp n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oqp n SER 96 N 11.17 -0.97 0.02 3.54 2.88 -1.26 -4.71 113.62 124.29 2oqp n SER 96 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2oqp n SER 96 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oqp h ASP 98 N 0.00 0.00 0.08 0.00 5.19 -1.89 0.79 116.42 120.60 2oqp h ASP 98 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2oqp h ASP 98 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2oqp h ASP 98 CO 0.00 0.00 0.00 0.28 -3.12 0.00 0.00 179.24 176.40 2oqp h SER 99 N 0.00 0.00 -0.28 6.45 0.02 -1.85 0.73 113.55 118.62 2oqp h SER 99 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oqp h SER 99 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2oqp h SER 99 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 2oqp n TYR 100 N -2.31 0.87 -4.47 3.45 4.01 0.27 -5.02 117.16 113.96 2oqp n TYR 100 Ca -0.01 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2oqp n TYR 100 Cb 0.06 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 2oqp n TYR 100 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2oqp n GLU 101 N 0.33 0.00 -1.14 -0.72 2.13 0.25 -4.86 120.64 116.62 2oqp n GLU 101 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2oqp n GLU 101 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 2oqp n GLU 101 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2oqp n LYS 102 N -0.67 1.71 -3.65 5.31 4.76 -1.26 -4.15 118.16 120.21 2oqp n LYS 102 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2oqp n LYS 102 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 2oqp n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2oqp s LYS 103 N -1.29 0.55 0.99 1.97 1.02 -0.18 -4.73 119.74 118.08 2oqp s LYS 103 Ca 0.00 -0.31 -0.15 0.00 0.02 0.00 0.00 55.97 55.53 2oqp s LYS 103 Cb 0.00 0.19 0.19 0.00 -0.52 0.00 0.00 37.83 37.69 2oqp s LYS 103 CO 0.00 -0.25 1.18 -1.25 -0.92 0.00 0.00 175.35 174.10 2oqp s PRO 104 N -2.58 0.44 -0.05 -1.68 0.04 -1.26 -2.75 135.00 127.16 2oqp s PRO 104 Ca 0.14 0.02 -0.25 0.00 0.04 0.00 0.00 61.00 60.95 2oqp s PRO 104 Cb 0.04 -1.78 -0.23 0.00 0.04 0.00 0.00 34.50 32.57 2oqp s PRO 104 CO -0.03 -2.62 1.05 -1.00 0.04 0.00 0.00 177.00 174.44 2oqp h PRO 105 N -1.80 0.13 -0.35 0.56 0.13 -1.84 -0.84 132.00 128.00 2oqp h PRO 105 Ca -0.48 -0.13 0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2oqp h PRO 105 Cb 1.30 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 2oqp h PRO 105 CO 0.49 0.85 -0.47 1.57 -0.23 0.00 0.00 178.00 180.21 2oqp h LYS 106 N -0.54 -0.32 0.15 0.86 2.10 -1.95 0.69 116.57 117.56 2oqp h LYS 106 Ca -0.02 0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2oqp h LYS 106 Cb 0.90 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2oqp h LYS 106 CO 0.03 -0.21 -0.07 0.93 -2.00 0.00 0.00 179.45 178.13 2oqp h GLU 107 N -0.33 -0.20 -1.18 0.07 4.39 -1.97 0.30 114.58 115.66 2oqp h GLU 107 Ca 0.06 0.01 0.33 0.00 0.34 0.00 0.00 59.36 60.11 2oqp h GLU 107 Cb 0.50 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 2oqp h GLU 107 CO -0.50 -0.08 0.79 0.35 -1.16 0.00 0.00 179.01 178.41 2oqp h PHE 108 N -0.27 0.39 0.17 4.33 3.57 -0.34 1.23 116.94 126.02 2oqp h PHE 108 Ca -0.02 0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 2oqp h PHE 108 Cb 0.21 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 38.85 2oqp h PHE 108 CO -0.05 -0.01 -1.43 -0.07 -2.23 0.00 0.00 178.31 174.52 2oqp h LEU 109 N 0.19 0.55 -2.15 0.59 -0.00 0.97 -1.31 115.31 114.16 2oqp h LEU 109 Ca 0.64 -0.91 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 2oqp h LEU 109 Cb 2.04 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 42.52 2oqp h LEU 109 CO -0.21 1.65 -0.05 -0.08 -0.00 0.00 0.00 178.44 179.75 2oqp h GLU 110 N -0.11 0.00 0.06 1.13 4.81 0.35 -1.10 114.58 119.72 2oqp h GLU 110 Ca -0.28 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.63 2oqp h GLU 110 Cb 1.92 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 2oqp h GLU 110 CO 0.15 0.05 -1.73 -2.13 -0.73 0.00 0.00 179.01 174.62 2oqp n ARG 111 N -3.37 0.67 0.19 1.92 3.00 0.38 -3.77 116.66 115.67 2oqp n ARG 111 Ca -0.02 0.39 -0.14 0.00 -0.00 0.00 0.00 57.85 58.08 2oqp n ARG 111 Cb 0.20 -1.71 -0.07 0.00 0.00 0.00 0.00 32.46 30.88 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 -0.44 -0.80 -0.74 -0.14 3.57 -0.96 0.26 116.94 117.69 2oqp h PHE 112 Ca -0.41 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.25 2oqp h PHE 112 Cb 1.70 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 40.65 2oqp h PHE 112 CO 0.08 -0.43 0.18 -0.22 -2.23 0.00 0.00 178.31 175.69 2oqp h LYS 113 N -0.61 0.27 0.52 1.11 3.64 -1.41 -0.57 116.57 119.50 2oqp h LYS 113 Ca -0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2oqp h LYS 113 Cb 0.57 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2oqp h LYS 113 CO -0.08 0.18 -0.25 0.77 -2.27 0.00 0.00 179.45 177.80 2oqp h SER 114 N 0.28 -0.59 -1.07 4.20 0.02 -1.49 -1.20 113.55 113.70 2oqp h SER 114 Ca 0.42 0.02 0.39 0.00 -0.84 0.00 0.00 61.79 61.78 2oqp h SER 114 Cb 0.71 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 63.27 2oqp h SER 114 CO -0.51 -0.40 0.65 -0.11 -1.14 0.00 0.00 176.83 175.32 2oqp n LEU 115 N -3.96 0.23 0.29 5.07 -0.00 0.85 0.25 117.00 119.72 2oqp n LEU 115 Ca -0.09 1.30 -0.14 0.00 -0.00 0.00 0.00 56.01 57.09 2oqp n LEU 115 Cb 0.27 -0.64 -0.07 0.00 -0.00 0.00 0.00 43.42 42.99 2oqp n LEU 115 CO 0.21 -1.43 0.41 -0.07 -0.00 0.00 0.00 177.39 176.51 2oqp h LEU 116 N 0.00 -0.64 0.00 -1.96 3.38 -0.70 -0.90 115.31 114.48 2oqp h LEU 116 Ca 0.75 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.69 2oqp h LEU 116 Cb 2.26 0.17 0.00 0.00 0.09 0.00 0.00 40.66 43.18 2oqp h LEU 116 CO -0.51 -0.26 0.00 0.00 0.09 0.00 0.00 178.44 177.76 2oqp n GLN 117 N -5.30 0.31 0.00 1.13 -0.00 0.40 0.31 117.38 114.23 2oqp n GLN 117 Ca -0.11 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 2oqp n GLN 117 Cb 0.33 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.07 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 -1.21 0.00 -0.02 2.61 5.02 0.69 -4.44 118.16 120.82 2oqp n LYS 118 Ca 0.09 0.26 -0.01 0.00 -2.02 0.00 0.00 58.31 56.63 2oqp n LYS 118 Cb 0.11 -0.72 -0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2oqp n LYS 118 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2oqp n MET 119 N -1.83 0.12 -0.28 1.97 2.81 -0.37 -3.41 117.12 116.13 2oqp n MET 119 Ca 0.00 0.30 0.26 0.00 -1.81 0.00 0.00 57.70 56.45 2oqp n MET 119 Cb 0.00 -0.98 0.47 0.00 -0.71 0.00 0.00 33.22 31.99 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2oqp n ILE 120 N -2.91 -0.26 0.00 2.02 -0.00 -0.89 0.12 119.36 117.45 2oqp n ILE 120 Ca -0.02 1.45 0.00 0.00 -0.00 0.00 0.00 62.75 64.18 2oqp n ILE 120 Cb 0.08 -2.36 0.00 0.00 -0.00 0.00 0.00 39.64 37.36 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 -4.48 0.00 -0.34 1.39 -0.00 0.15 -3.33 115.22 108.61 2oqp n HIS 121 Ca 0.29 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 58.21 2oqp n HIS 121 Cb 1.05 -0.43 0.41 0.00 -0.00 0.00 0.00 29.99 31.02 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 0.47 -0.98 1.57 3.07 -0.47 0.75 115.11 119.52 2oqp h GLN 122 Ca 0.00 -0.03 0.17 0.00 0.09 0.00 0.00 58.65 58.88 2oqp h GLN 122 Cb 0.00 -0.11 -0.17 0.00 0.08 0.00 0.00 27.48 27.28 2oqp h GLN 122 CO 0.00 0.31 -0.32 1.58 0.09 0.00 0.00 178.83 180.49 2oqp n HIS 123 N -4.95 0.18 0.25 0.06 -0.00 0.33 0.55 115.22 111.63 2oqp n HIS 123 Ca 0.28 1.20 -0.14 0.00 0.46 0.00 0.00 57.72 59.53 2oqp n HIS 123 Cb 0.82 -0.96 -0.07 0.00 -0.12 0.00 0.00 29.99 29.66 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 -0.55 0.00 0.27 -0.00 -0.85 -3.32 115.31 110.86 2oqp h LEU 124 Ca 0.40 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 2oqp h LEU 124 Cb 0.64 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2oqp h LEU 124 CO -0.99 -0.18 0.00 -0.24 -0.00 0.00 0.00 178.44 177.03 2oqp n SER 125 N -5.25 0.00 -4.44 -0.43 2.88 0.41 -2.65 113.62 104.14 2oqp n SER 125 Ca -0.10 0.97 -0.36 0.00 -1.33 0.00 0.00 58.87 58.05 2oqp n SER 125 Cb 0.31 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 2oqp n SER 125 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2oqp n SER 126 N -2.79 3.75 -3.61 -3.46 2.88 0.19 -4.78 113.62 105.80 2oqp n SER 126 Ca 0.00 -2.79 -0.05 0.00 -1.33 0.00 0.00 58.87 54.71 2oqp n SER 126 Cb 0.00 -1.68 -0.03 0.00 -0.75 0.00 0.00 64.21 61.75 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 5.32 0.29 -0.62 -1.46 6.06 -1.08 -4.78 118.95 122.67 2oqp s ARG 127 Ca 0.61 -0.03 0.06 0.00 -2.50 0.00 0.00 55.73 53.87 2oqp s ARG 127 Cb 0.03 0.13 0.26 0.00 0.06 0.00 0.00 34.95 35.44 2oqp s ARG 127 CO 0.10 -0.11 0.77 -2.37 -2.50 0.00 0.00 175.30 171.20 2oqp n THR 128 N 0.24 2.38 -3.48 4.11 5.66 -1.26 -4.99 114.28 116.94 2oqp n THR 128 Ca -0.02 -5.25 0.01 0.00 -3.05 0.00 0.00 64.05 55.74 2oqp n THR 128 Cb 0.58 -1.97 -0.03 0.00 -1.55 0.00 0.00 70.33 67.36 2oqp n THR 128 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2oqp s HIS 129 N -2.61 -1.43 0.00 1.09 -3.43 -1.26 -5.15 115.29 102.51 2oqp s HIS 129 Ca 0.41 2.12 0.00 0.00 -0.80 0.00 0.00 55.06 56.79 2oqp s HIS 129 Cb 0.17 0.73 0.00 0.00 -1.43 0.00 0.00 32.58 32.05 2oqp s HIS 129 CO -0.03 -0.74 0.00 0.41 -2.00 0.00 0.00 174.74 172.38 2oqp n GLY 130 N 5.44 3.45 2.99 -1.38 0.00 -1.26 -5.10 105.19 109.33 2oqp n GLY 130 Ca -0.08 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.16 0.00 1.61 0.01 -1.26 -5.08 113.70 108.82 2oqp s SER 131 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2oqp s SER 131 Cb 0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2oqp s SER 131 CO 0.00 -0.12 0.00 1.21 0.41 0.00 0.00 173.24 174.74 2oqp n GLU 132 N 3.77 0.00 -2.52 12.44 0.00 -1.26 -4.91 120.64 128.16 2oqp n GLU 132 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.52 2oqp n GLU 132 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.96 2oqp n GLU 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2oqp s ASP 133 N 0.00 6.59 0.00 4.31 1.11 -1.26 -4.93 116.67 122.49 2oqp s ASP 133 Ca 0.00 0.69 0.00 0.00 0.18 0.00 0.00 52.55 53.42 2oqp s ASP 133 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2oqp s ASP 133 CO 0.00 -1.24 0.00 -0.24 1.18 0.00 0.00 175.17 174.87