#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 0.09 0.00 0.03 0.74 -1.26 -4.88 119.66 114.38 2oqp s GLN 2 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.22 2oqp s GLN 2 Cb 0.00 -1.67 0.00 0.00 1.10 0.00 0.00 33.01 32.44 2oqp s GLN 2 CO 0.00 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 2oqp n GLY 3 N 5.27 0.82 2.99 2.59 0.00 -1.26 -5.15 105.19 110.45 2oqp n GLY 3 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.15 0.27 1.61 0.74 -1.26 -5.07 119.66 116.10 2oqp s GLN 4 Ca 0.00 0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.93 2oqp s GLN 4 Cb 0.00 -0.14 0.00 0.00 1.10 0.00 0.00 33.01 33.97 2oqp s GLN 4 CO 0.00 -0.19 0.00 -0.25 -0.55 0.00 0.00 175.29 174.30 2oqp n ASP 5 N 4.47 -8.60 0.13 6.67 8.00 -1.26 -4.45 116.55 121.51 2oqp n ASP 5 Ca -0.21 1.25 0.12 0.00 0.71 0.00 0.00 54.79 56.65 2oqp n ASP 5 Cb 0.52 -4.64 0.11 0.00 -0.02 0.00 0.00 41.12 37.10 2oqp n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2oqp h ARG 6 N 3.39 0.00 0.06 -1.24 -0.00 -2.01 -3.23 114.38 111.35 2oqp h ARG 6 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 59.19 2oqp h ARG 6 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.94 2oqp h ARG 6 CO 0.00 0.00 -1.56 0.45 0.00 0.00 0.00 179.97 178.86 2oqp h HIS 7 N 0.00 0.21 -1.01 3.04 3.86 -2.00 -3.37 115.15 115.88 2oqp h HIS 7 Ca 0.00 -0.16 0.14 0.00 -1.16 0.00 0.00 60.37 59.20 2oqp h HIS 7 Cb 0.93 -0.01 -0.09 0.00 1.06 0.00 0.00 27.41 29.30 2oqp h HIS 7 CO 0.00 1.62 0.63 1.98 0.86 0.00 0.00 177.93 183.01 2oqp h MET 8 N -0.55 0.89 -0.85 2.45 -1.53 -1.85 0.48 114.93 113.97 2oqp h MET 8 Ca -0.38 -0.05 0.18 0.00 -3.44 0.00 0.00 59.70 56.01 2oqp h MET 8 Cb 1.62 -0.20 -0.06 0.00 -0.55 0.00 0.00 31.60 32.40 2oqp h MET 8 CO -0.08 0.59 0.57 -0.84 0.14 0.00 0.00 176.91 177.28 2oqp h ILE 9 N 0.92 0.73 0.00 1.77 3.07 -1.71 0.33 117.51 122.61 2oqp h ILE 9 Ca 0.53 -0.15 -0.09 0.00 1.55 0.00 0.00 64.86 66.70 2oqp h ILE 9 Cb 0.63 0.26 -0.02 0.00 -0.27 0.00 0.00 36.82 37.42 2oqp h ILE 9 CO -0.31 0.08 -1.37 -1.14 -1.05 0.00 0.00 178.15 174.37 2oqp n ARG 10 N -4.50 0.62 0.19 0.16 0.00 0.85 -3.47 116.66 110.50 2oqp n ARG 10 Ca 0.18 0.12 -0.08 0.00 -0.00 0.00 0.00 57.85 58.07 2oqp n ARG 10 Cb 0.63 -1.77 -0.04 0.00 0.00 0.00 0.00 32.46 31.28 2oqp n ARG 10 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 2oqp h MET 11 N 0.00 -0.50 0.28 -0.14 4.05 0.34 -2.90 114.93 116.06 2oqp h MET 11 Ca -0.10 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2oqp h MET 11 Cb 1.32 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 32.21 2oqp h MET 11 CO 0.02 -0.33 -0.33 0.00 0.23 0.00 0.00 176.91 176.50 2oqp h ARG 12 N -0.79 -0.63 -0.95 0.39 2.47 -0.94 -1.20 114.38 112.73 2oqp h ARG 12 Ca -0.05 0.04 0.34 0.00 -1.26 0.00 0.00 59.98 59.05 2oqp h ARG 12 Cb 0.39 0.14 -0.17 0.00 -1.65 0.00 0.00 29.97 28.68 2oqp h ARG 12 CO 0.09 -0.42 0.31 1.04 0.56 0.00 0.00 179.97 181.54 2oqp n GLN 13 N -5.44 -0.06 0.04 0.04 1.13 -1.23 0.19 117.38 112.05 2oqp n GLN 13 Ca -0.09 1.35 -0.02 0.00 -1.94 0.00 0.00 57.00 56.31 2oqp n GLN 13 Cb 0.34 -2.31 -0.01 0.00 0.11 0.00 0.00 30.24 28.37 2oqp n GLN 13 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2oqp h LEU 14 N 0.00 -0.09 -1.11 1.08 3.38 -1.11 0.43 115.31 117.88 2oqp h LEU 14 Ca 0.71 0.00 0.37 0.00 0.09 0.00 0.00 57.88 59.06 2oqp h LEU 14 Cb 1.74 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 42.36 2oqp h LEU 14 CO -0.80 -0.03 0.63 0.40 0.09 0.00 0.00 178.44 178.73 2oqp h ILE 15 N -0.18 0.18 0.05 1.22 5.03 0.09 0.93 117.51 124.84 2oqp h ILE 15 Ca -0.01 -0.06 -0.00 0.00 -0.12 0.00 0.00 64.86 64.66 2oqp h ILE 15 Cb 0.09 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 33.86 2oqp h ILE 15 CO 0.02 0.03 -0.03 -0.78 -0.68 0.00 0.00 178.15 176.72 2oqp h ASP 16 N 0.18 -0.06 -0.44 1.72 3.58 0.21 -1.41 116.42 120.20 2oqp h ASP 16 Ca 0.78 -0.41 0.08 0.00 0.42 0.00 0.00 57.03 57.90 2oqp h ASP 16 Cb 2.03 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 43.03 2oqp h ASP 16 CO -0.60 0.39 0.04 0.40 -2.88 0.00 0.00 179.24 176.58 2oqp h ILE 17 N -0.52 0.70 0.42 2.25 2.04 0.52 0.66 117.51 123.58 2oqp h ILE 17 Ca -0.01 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2oqp h ILE 17 Cb 0.46 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2oqp h ILE 17 CO 0.01 0.03 -0.43 0.58 0.00 0.00 0.00 178.15 178.34 2oqp h VAL 18 N 0.15 0.00 -0.87 1.67 2.07 0.18 0.33 116.25 119.78 2oqp h VAL 18 Ca 0.22 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.92 2oqp h VAL 18 Cb 0.30 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 2oqp h VAL 18 CO -0.33 0.00 0.42 -0.78 0.02 0.00 0.00 177.57 176.90 2oqp h ASP 19 N -0.85 0.45 -0.79 0.57 3.58 -0.77 0.48 116.42 119.09 2oqp h ASP 19 Ca -0.05 0.12 0.10 0.00 0.42 0.00 0.00 57.03 57.62 2oqp h ASP 19 Cb 0.73 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.77 2oqp h ASP 19 CO -0.06 0.13 0.43 -0.61 -2.88 0.00 0.00 179.24 176.25 2oqp h GLN 20 N 0.53 0.68 -0.20 0.28 5.75 0.12 0.19 115.11 122.46 2oqp h GLN 20 Ca 0.51 -0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 58.75 2oqp h GLN 20 Cb 0.84 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 29.24 2oqp h GLN 20 CO -0.43 0.45 -0.70 1.25 -2.65 0.00 0.00 178.83 176.74 2oqp h LEU 21 N 0.71 0.96 0.04 -2.39 7.12 0.17 -3.22 115.31 118.70 2oqp h LEU 21 Ca 0.39 -0.59 0.03 0.00 0.13 0.00 0.00 57.88 57.83 2oqp h LEU 21 Cb 0.40 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.21 2oqp h LEU 21 CO -0.27 1.39 -0.28 0.11 -0.13 0.00 0.00 178.44 179.27 2oqp h LYS 22 N 0.59 -0.43 -0.59 1.25 1.57 0.11 0.30 116.57 119.36 2oqp h LYS 22 Ca -0.03 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 2oqp h LYS 22 Cb 1.33 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2oqp h LYS 22 CO 0.15 -0.29 0.73 -0.97 -0.57 0.00 0.00 179.45 178.50 2oqp h ASN 23 N -0.45 0.00 -1.20 0.86 -0.73 -0.71 0.80 115.58 114.14 2oqp h ASN 23 Ca 0.05 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 57.56 2oqp h ASN 23 Cb 0.51 0.00 -0.33 0.00 0.27 0.00 0.00 38.32 38.77 2oqp h ASN 23 CO -0.21 0.00 0.33 -1.22 -0.37 0.00 0.00 177.43 175.96 2oqp n TYR 24 N -3.45 3.09 0.20 0.67 4.01 0.10 -4.63 117.16 117.14 2oqp n TYR 24 Ca 0.12 -2.70 0.04 0.00 -0.16 0.00 0.00 57.90 55.19 2oqp n TYR 24 Cb 0.94 -0.98 0.43 0.00 -0.31 0.00 0.00 39.34 39.41 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 1.66 1.20 -0.00 -0.72 2.07 0.79 -1.34 116.25 119.91 2oqp h VAL 25 Ca 0.51 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2oqp h VAL 25 Cb 0.83 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2oqp h VAL 25 CO 1.28 0.27 0.27 -1.13 0.02 0.00 0.00 177.57 178.28 2oqp h ASN 26 N 0.02 0.00 -1.02 0.57 -1.24 -1.82 0.38 115.58 112.47 2oqp h ASN 26 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 2oqp h ASN 26 Cb 0.48 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.13 2oqp h ASN 26 CO 0.04 0.00 -0.48 0.47 -1.29 0.00 0.00 177.43 176.17 2oqp n ASP 27 N -2.94 5.38 -4.12 1.15 9.92 -0.51 -4.82 116.55 120.63 2oqp n ASP 27 Ca -0.02 -3.75 -0.31 0.00 -0.53 0.00 0.00 54.79 50.18 2oqp n ASP 27 Cb 0.32 -0.49 -0.17 0.00 -0.64 0.00 0.00 41.12 40.15 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 -3.64 1.93 -0.22 0.64 1.43 0.13 -1.80 118.68 117.15 2oqp s LEU 28 Ca 0.52 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 2oqp s LEU 28 Cb 0.42 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 2oqp s LEU 28 CO -0.04 0.05 0.59 0.54 0.23 0.00 0.00 176.35 177.72 2oqp s VAL 29 N 0.92 5.03 -0.36 -1.59 0.11 -0.52 -4.36 120.40 119.64 2oqp s VAL 29 Ca -0.06 1.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.78 2oqp s VAL 29 Cb -0.15 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 2oqp s VAL 29 CO -0.02 0.10 1.38 -2.16 -3.33 0.00 0.00 175.10 171.06 2oqp s PRO 30 N 2.09 3.72 0.11 1.54 0.04 -1.26 -4.74 135.00 136.50 2oqp s PRO 30 Ca 0.26 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 2oqp s PRO 30 Cb -0.16 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2oqp s PRO 30 CO 0.09 -1.38 0.09 -1.83 0.04 0.00 0.00 177.00 174.01 2oqp s GLU 31 N 4.62 0.87 -0.76 4.56 -1.05 -1.26 -5.03 118.70 120.65 2oqp s GLU 31 Ca 0.60 -1.27 -0.26 0.00 -0.15 0.00 0.00 54.97 53.89 2oqp s GLU 31 Cb -0.15 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 2oqp s GLU 31 CO 0.29 -0.25 2.19 -0.06 0.95 0.00 0.00 175.26 178.38 2oqp s PHE 32 N -3.98 1.41 -0.20 4.83 0.40 -1.26 -4.58 117.98 114.61 2oqp s PHE 32 Ca 0.16 1.33 -0.06 0.00 -0.60 0.00 0.00 56.93 57.76 2oqp s PHE 32 Cb 0.07 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.82 2oqp s PHE 32 CO -0.03 -1.87 0.04 -1.17 0.70 0.00 0.00 175.22 172.89 2oqp s LEU 33 N 12.14 3.53 -0.22 -0.37 2.96 -1.02 -4.91 118.68 130.79 2oqp s LEU 33 Ca 0.83 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.37 2oqp s LEU 33 Cb -0.11 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 2oqp s LEU 33 CO 0.10 0.10 1.31 -2.16 -1.32 0.00 0.00 176.35 174.37 2oqp s PRO 34 N 0.81 4.07 -0.09 0.98 0.04 -1.26 -1.44 135.00 138.10 2oqp s PRO 34 Ca 0.02 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2oqp s PRO 34 Cb -0.14 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.60 2oqp s PRO 34 CO 0.02 -0.93 0.02 0.00 0.04 0.00 0.00 177.00 176.16 2oqp s ALA 35 N 4.00 0.68 -0.14 8.56 0.00 -1.26 -4.38 121.76 129.21 2oqp s ALA 35 Ca 0.57 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 2oqp s ALA 35 Cb -0.20 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 2oqp s ALA 35 CO 0.19 -0.62 1.26 -1.25 0.00 0.00 0.00 175.76 175.35 2oqp s PRO 36 N 1.99 4.25 -0.31 0.00 0.04 -1.26 -4.90 135.00 134.81 2oqp s PRO 36 Ca 0.04 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 2oqp s PRO 36 Cb -0.13 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.65 2oqp s PRO 36 CO -0.06 -0.66 0.20 -2.00 0.04 0.00 0.00 177.00 174.52 2oqp s GLU 37 N 3.26 3.60 -0.14 4.56 2.12 -1.26 -4.75 118.70 126.10 2oqp s GLU 37 Ca 0.55 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.26 2oqp s GLU 37 Cb -0.23 -3.69 0.03 0.00 0.26 0.00 0.00 34.13 30.51 2oqp s GLU 37 CO 0.16 -0.35 0.15 -3.47 -0.54 0.00 0.00 175.26 171.21 2oqp n ASP 38 N 5.06 -1.57 -4.68 -1.70 -0.08 -1.26 -5.05 116.55 107.26 2oqp n ASP 38 Ca -0.13 0.90 -0.26 0.00 -1.51 0.00 0.00 54.79 53.78 2oqp n ASP 38 Cb 0.50 -3.84 -0.07 0.00 2.34 0.00 0.00 41.12 40.05 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 -0.53 3.81 1.05 5.18 -7.23 -1.26 -5.02 120.40 116.39 2oqp s VAL 39 Ca -0.17 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 58.45 2oqp s VAL 39 Cb 0.01 -2.93 0.14 0.00 0.56 0.00 0.00 36.38 34.16 2oqp s VAL 39 CO 0.53 -0.13 0.60 1.21 -0.31 0.00 0.00 175.10 177.00 2oqp n GLU 40 N -0.23 -1.24 -0.24 4.82 2.13 -1.26 -4.64 120.64 119.98 2oqp n GLU 40 Ca -0.09 -0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.41 2oqp n GLU 40 Cb 0.55 -2.00 0.07 0.00 0.27 0.00 0.00 31.44 30.34 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 -2.06 0.30 -1.96 6.31 2.02 -1.99 -1.43 112.91 114.11 2oqp h THR 41 Ca -0.51 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.04 2oqp h THR 41 Cb 1.31 0.30 -0.39 0.00 -1.74 0.00 0.00 68.15 67.63 2oqp h THR 41 CO 0.40 0.00 -0.32 0.59 0.37 0.00 0.00 175.52 176.56 2oqp n ASN 42 N -5.47 5.19 0.00 4.18 3.02 -1.26 -4.56 115.26 116.37 2oqp n ASN 42 Ca 0.09 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 2oqp n ASN 42 Cb 0.36 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 -2.22 -0.03 0.18 0.00 -0.00 -1.20 0.20 120.64 117.57 2oqp n GLU 44 Ca 0.00 1.20 -0.14 0.00 -0.00 0.00 0.00 57.16 58.22 2oqp n GLU 44 Cb 0.30 -2.49 -0.08 0.00 -0.00 0.00 0.00 31.44 29.18 2oqp n GLU 44 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 2oqp h TRP 45 N 0.00 -0.41 0.00 -1.84 4.06 -1.89 1.45 115.95 117.33 2oqp h TRP 45 Ca 0.90 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.84 2oqp h TRP 45 Cb 3.13 0.13 0.00 0.00 -1.00 0.00 0.00 29.16 31.43 2oqp h TRP 45 CO -0.00 -0.12 0.00 0.43 -3.56 0.00 0.00 178.44 175.19 2oqp n SER 46 N -5.18 0.51 -0.05 -3.49 7.64 0.54 -1.41 113.62 112.17 2oqp n SER 46 Ca -0.10 0.67 -0.10 0.00 1.01 0.00 0.00 58.87 60.34 2oqp n SER 46 Cb 0.25 -0.76 -0.15 0.00 -1.01 0.00 0.00 64.21 62.55 2oqp n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp n ALA 47 N -1.73 1.45 -0.33 -0.43 0.00 0.14 -4.13 120.51 115.47 2oqp n ALA 47 Ca 0.01 -0.96 0.28 0.00 0.00 0.00 0.00 53.44 52.78 2oqp n ALA 47 Cb 0.14 -0.58 0.61 0.00 0.00 0.00 0.00 19.45 19.62 2oqp n ALA 47 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2oqp h PHE 48 N 0.01 0.41 -0.56 0.00 3.04 0.32 0.84 116.94 121.00 2oqp h PHE 48 Ca -0.40 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.49 2oqp h PHE 48 Cb 2.09 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 40.46 2oqp h PHE 48 CO 0.01 0.01 0.04 1.03 -2.02 0.00 0.00 178.31 177.38 2oqp h SER 49 N 0.23 0.89 -0.43 0.41 0.87 -1.71 -2.74 113.55 111.06 2oqp h SER 49 Ca 0.60 -0.22 0.09 0.00 -1.23 0.00 0.00 61.79 61.03 2oqp h SER 49 Cb 1.87 -0.24 -0.09 0.00 -0.44 0.00 0.00 62.40 63.51 2oqp h SER 49 CO -0.20 0.93 -0.14 0.00 -0.53 0.00 0.00 176.83 176.89 2oqp h PHE 51 N -0.04 0.00 0.09 0.00 0.04 -1.38 0.04 116.94 115.70 2oqp h PHE 51 Ca 0.21 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 2oqp h PHE 51 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2oqp h PHE 51 CO -0.40 0.00 -0.04 0.37 -0.60 0.00 0.00 178.31 177.63 2oqp h GLN 52 N 0.00 -0.12 0.00 1.51 -0.00 0.10 -3.23 115.11 113.38 2oqp h GLN 52 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.63 2oqp h GLN 52 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.54 2oqp h GLN 52 CO -0.00 0.40 -0.16 1.57 0.00 0.00 0.00 178.83 180.64 2oqp h LYS 53 N -0.87 0.00 -0.04 1.69 2.10 -0.63 -3.03 116.57 115.79 2oqp h LYS 53 Ca -0.01 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2oqp h LYS 53 Cb 0.57 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.87 2oqp h LYS 53 CO 0.02 0.16 -0.36 0.00 -2.00 0.00 0.00 179.45 177.26 2oqp h ALA 54 N 1.84 -0.78 -1.85 0.07 0.00 -1.02 -3.49 119.26 114.03 2oqp h ALA 54 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2oqp h ALA 54 Cb 0.35 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2oqp h ALA 54 CO 0.02 -0.90 -0.45 0.94 0.00 0.00 0.00 179.25 178.87 2oqp n GLN 55 N -4.49 -2.30 -4.10 0.00 7.27 -1.15 -4.87 117.38 107.74 2oqp n GLN 55 Ca -0.05 1.70 -0.35 0.00 0.07 0.00 0.00 57.00 58.37 2oqp n GLN 55 Cb 0.26 -1.90 -0.07 0.00 2.41 0.00 0.00 30.24 30.94 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 -2.34 3.99 -0.06 1.69 1.98 -1.26 -5.02 118.68 117.66 2oqp s LEU 56 Ca 0.00 0.27 0.01 0.00 -2.89 0.00 0.00 54.13 51.52 2oqp s LEU 56 Cb 0.00 -2.08 0.02 0.00 0.66 0.00 0.00 46.19 44.80 2oqp s LEU 56 CO 0.00 0.35 -0.06 -0.75 -1.89 0.00 0.00 176.35 174.01 2oqp s LYS 57 N -1.23 1.02 0.71 1.98 2.47 -1.26 -4.97 119.74 118.46 2oqp s LYS 57 Ca 0.17 -0.15 -0.11 0.00 -1.56 0.00 0.00 55.97 54.32 2oqp s LYS 57 Cb -0.12 -1.01 0.02 0.00 -1.46 0.00 0.00 37.83 35.26 2oqp s LYS 57 CO 0.07 -0.09 1.07 -1.54 0.16 0.00 0.00 175.35 175.01 2oqp s SER 58 N 1.02 5.19 0.00 1.43 1.04 -1.26 -1.43 113.70 119.70 2oqp s SER 58 Ca -0.09 1.67 0.16 0.00 0.48 0.00 0.00 55.95 58.16 2oqp s SER 58 Cb -0.14 -2.50 0.73 0.00 0.10 0.00 0.00 66.02 64.21 2oqp s SER 58 CO -0.00 -1.57 1.47 0.00 0.98 0.00 0.00 173.24 174.11 2oqp n ALA 59 N -3.20 1.80 -2.78 5.32 0.00 -0.75 -4.15 120.51 116.76 2oqp n ALA 59 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2oqp n ALA 59 Cb 0.53 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.38 -3.15 0.05 0.00 3.02 -1.26 -4.91 115.26 107.63 2oqp n ASN 60 Ca 0.06 -0.18 0.04 0.00 -0.03 0.00 0.00 54.58 54.46 2oqp n ASN 60 Cb 0.15 -1.99 -0.06 0.00 -0.61 0.00 0.00 39.78 37.27 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 -3.06 0.99 -0.32 3.41 -2.24 -1.26 -5.08 114.28 106.73 2oqp n THR 61 Ca -0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2oqp n THR 61 Cb 0.53 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 1.33 -3.14 5.04 3.38 0.00 -1.26 -4.95 105.19 105.60 2oqp n GLY 62 Ca -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.32 0.00 0.01 1.61 5.15 -1.26 -3.18 115.26 117.28 2oqp n ASN 63 Ca 0.00 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 2oqp n ASN 63 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 2oqp n ASN 63 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2oqp n ASN 64 N 3.52 0.52 -0.56 1.20 3.02 -1.26 -4.24 115.26 117.46 2oqp n ASN 64 Ca 0.00 -0.29 0.46 0.00 -0.03 0.00 0.00 54.58 54.72 2oqp n ASN 64 Cb 0.00 1.19 0.79 0.00 -0.61 0.00 0.00 39.78 41.14 2oqp n ASN 64 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2oqp h GLU 65 N 0.00 0.01 0.12 3.52 4.81 -1.90 1.06 114.58 122.19 2oqp h GLU 65 Ca 0.00 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 2oqp h GLU 65 Cb 0.78 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.16 2oqp h GLU 65 CO 0.00 0.01 -1.12 -0.09 -0.73 0.00 0.00 179.01 177.08 2oqp h ARG 66 N 0.01 0.25 0.00 1.92 9.65 -1.89 -2.90 114.38 121.42 2oqp h ARG 66 Ca 0.80 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 2oqp h ARG 66 Cb 3.17 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 31.90 2oqp h ARG 66 CO -0.05 1.20 0.00 1.51 2.80 0.00 0.00 179.97 185.44 2oqp n ILE 67 N -4.05 1.38 -0.08 1.20 0.13 0.31 -2.05 119.36 116.21 2oqp n ILE 67 Ca -0.20 0.35 -0.22 0.00 -1.10 0.00 0.00 62.75 61.58 2oqp n ILE 67 Cb 0.85 -1.21 -0.12 0.00 -0.84 0.00 0.00 39.64 38.32 2oqp n ILE 67 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 2oqp h ILE 68 N 0.00 0.84 -0.19 9.51 5.03 0.01 -3.33 117.51 129.38 2oqp h ILE 68 Ca 0.00 -2.22 0.05 0.00 -0.12 0.00 0.00 64.86 62.57 2oqp h ILE 68 Cb 0.15 2.29 -0.01 0.00 -3.03 0.00 0.00 36.82 36.22 2oqp h ILE 68 CO 0.00 0.46 0.28 -1.13 -0.68 0.00 0.00 178.15 177.08 2oqp h ASN 69 N -0.73 0.00 0.37 1.72 -0.73 -1.19 0.71 115.58 115.73 2oqp h ASN 69 Ca -0.37 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 57.65 2oqp h ASN 69 Cb 1.49 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.07 2oqp h ASN 69 CO -0.14 0.00 -0.64 -0.37 -0.37 0.00 0.00 177.43 175.91 2oqp h VAL 70 N 0.00 1.40 0.00 2.57 -1.51 -1.61 -2.46 116.25 114.64 2oqp h VAL 70 Ca 0.09 -2.07 0.00 0.00 -1.23 0.00 0.00 66.70 63.49 2oqp h VAL 70 Cb 0.65 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2oqp h VAL 70 CO -0.00 0.61 0.00 -1.20 -1.23 0.00 0.00 177.57 175.75 2oqp n SER 71 N -3.85 0.24 0.09 4.19 7.64 0.24 -3.22 113.62 118.95 2oqp n SER 71 Ca -0.03 0.54 -0.10 0.00 1.01 0.00 0.00 58.87 60.29 2oqp n SER 71 Cb 0.65 -0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.63 -0.36 0.44 1.08 -1.12 0.05 117.51 118.24 2oqp h ILE 72 Ca 0.00 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 2oqp h ILE 72 Cb 0.40 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 2oqp h ILE 72 CO 0.00 0.16 -0.21 0.29 -0.69 0.00 0.00 178.15 177.70 2oqp n LYS 73 N -4.98 -0.16 0.37 2.37 5.02 -1.20 0.17 118.16 119.75 2oqp n LYS 73 Ca -0.07 1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 57.20 2oqp n LYS 73 Cb 0.25 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 2oqp n LYS 73 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2oqp h LYS 74 N 0.00 -1.06 -1.75 1.97 6.56 -1.68 -0.83 116.57 119.78 2oqp h LYS 74 Ca 0.06 0.07 0.54 0.00 -1.06 0.00 0.00 60.65 60.26 2oqp h LYS 74 Cb 0.15 0.24 -0.10 0.00 -0.57 0.00 0.00 32.23 31.94 2oqp h LYS 74 CO -0.33 -0.71 1.21 1.25 -2.06 0.00 0.00 179.45 178.81 2oqp h LEU 75 N -1.10 0.08 -4.81 2.94 5.85 0.06 0.65 115.31 118.97 2oqp h LEU 75 Ca -0.09 0.06 -0.55 0.00 0.84 0.00 0.00 57.88 58.15 2oqp h LEU 75 Cb 0.91 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 41.86 2oqp h LEU 75 CO 0.04 -0.11 0.97 0.29 -0.34 0.00 0.00 178.44 179.29 2oqp n LYS 76 N -4.26 3.01 -3.53 1.25 5.02 0.44 -4.59 118.16 115.51 2oqp n LYS 76 Ca 0.43 -2.56 -0.27 0.00 -2.02 0.00 0.00 58.31 53.89 2oqp n LYS 76 Cb 1.85 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.30 3.56 0.12 1.97 6.06 0.23 -4.95 118.95 124.65 2oqp s ARG 77 Ca 0.58 -0.21 0.06 0.00 -2.50 0.00 0.00 55.73 53.67 2oqp s ARG 77 Cb 0.32 -2.75 -0.04 0.00 0.06 0.00 0.00 34.95 32.54 2oqp s ARG 77 CO -0.17 0.30 0.00 -1.59 -2.50 0.00 0.00 175.30 171.35 2oqp s LYS 78 N -3.50 2.49 0.97 5.12 0.00 -1.26 -4.79 119.74 118.76 2oqp s LYS 78 Ca 0.41 -0.94 -0.14 0.00 0.00 0.00 0.00 55.97 55.30 2oqp s LYS 78 Cb -0.11 -2.47 0.17 0.00 0.00 0.00 0.00 37.83 35.43 2oqp s LYS 78 CO 0.30 0.51 1.17 -1.25 0.00 0.00 0.00 175.35 176.07 2oqp s PRO 79 N -2.55 0.64 0.00 1.78 0.04 -1.26 -5.08 135.00 128.58 2oqp s PRO 79 Ca 0.26 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2oqp s PRO 79 Cb -0.11 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2oqp s PRO 79 CO 0.18 -2.50 0.00 -0.35 0.04 0.00 0.00 177.00 174.38 2oqp n PRO 80 N -3.94 0.39 -0.19 0.56 -0.04 -1.26 -4.77 135.00 125.75 2oqp n PRO 80 Ca 0.09 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.81 2oqp n PRO 80 Cb 0.59 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.72 2oqp n PRO 80 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2oqp h SER 81 N -0.21 0.11 -0.41 3.54 0.02 -2.01 -1.70 113.55 112.90 2oqp h SER 81 Ca 0.00 0.01 -0.40 0.00 -0.84 0.00 0.00 61.79 60.56 2oqp h SER 81 Cb 0.00 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.44 2oqp h SER 81 CO 0.00 0.04 0.73 1.07 -1.14 0.00 0.00 176.83 177.53 2oqp n THR 82 N -4.35 3.50 -0.06 -2.27 5.66 -1.26 -4.38 114.28 111.12 2oqp n THR 82 Ca 0.18 -2.34 -0.06 0.00 -3.05 0.00 0.00 64.05 58.78 2oqp n THR 82 Cb 0.87 -1.99 -0.04 0.00 -1.55 0.00 0.00 70.33 67.63 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 3.45 0.00 0.00 1.09 -1.24 -1.61 -3.41 115.58 113.86 2oqp h ASN 83 Ca 0.40 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2oqp h ASN 83 Cb 1.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.05 2oqp h ASN 83 CO 0.76 0.75 0.00 0.00 -1.29 0.00 0.00 177.43 177.65 2oqp n ALA 84 N -2.99 0.00 -3.52 1.57 0.00 -1.26 -4.02 120.51 110.29 2oqp n ALA 84 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 2oqp n ALA 84 Cb 0.22 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.04 2.67 0.01 0.00 0.00 -1.26 -5.03 105.19 101.54 2oqp n GLY 85 Ca 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 46.02 43.80 2oqp n GLY 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2oqp h ARG 86 N 0.00 -0.01 0.00 1.61 2.43 -2.02 -3.41 114.38 112.98 2oqp h ARG 86 Ca -0.16 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 2oqp h ARG 86 Cb 0.61 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.06 2oqp h ARG 86 CO 0.24 -0.01 -0.23 -2.13 -1.51 0.00 0.00 179.97 176.34 2oqp n ARG 87 N -2.74 0.00 -2.76 0.20 0.63 -1.26 -4.97 116.66 105.77 2oqp n ARG 87 Ca -0.00 -0.77 -0.09 0.00 -0.92 0.00 0.00 57.85 56.06 2oqp n ARG 87 Cb 0.01 0.37 0.07 0.00 0.45 0.00 0.00 32.46 33.35 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 0.01 1.12 -1.56 -0.14 7.27 -1.26 -5.07 117.38 117.75 2oqp n GLN 88 Ca -0.21 -2.52 -0.19 0.00 0.07 0.00 0.00 57.00 54.16 2oqp n GLN 88 Cb 0.66 -0.81 -0.06 0.00 2.41 0.00 0.00 30.24 32.44 2oqp n GLN 88 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2oqp n LYS 89 N -0.16 0.66 0.00 3.69 2.85 -1.26 -4.87 118.16 119.07 2oqp n LYS 89 Ca 0.06 -0.63 0.00 0.00 -1.05 0.00 0.00 58.31 56.69 2oqp n LYS 89 Cb 0.79 -3.57 0.00 0.00 -0.65 0.00 0.00 35.03 31.60 2oqp n LYS 89 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2oqp n HIS 90 N 17.78 0.00 0.00 5.58 -0.00 -1.26 -4.59 115.22 132.72 2oqp n HIS 90 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2oqp n HIS 90 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2oqp n HIS 90 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2oqp n ARG 91 N 0.00 0.00 -3.77 1.57 3.00 -1.26 -4.52 116.66 111.68 2oqp n ARG 91 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2oqp n ARG 91 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.31 2oqp n ARG 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2oqp s LEU 92 N 0.00 0.95 -0.01 6.15 1.02 -1.26 -5.12 118.68 120.41 2oqp s LEU 92 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 54.13 54.04 2oqp s LEU 92 Cb 0.00 0.19 -0.06 0.00 0.02 0.00 0.00 46.19 46.34 2oqp s LEU 92 CO 0.00 -0.13 1.66 -0.89 0.02 0.00 0.00 176.35 177.01 2oqp s THR 93 N 1.02 3.41 0.21 5.49 2.01 -1.26 -5.00 115.64 121.53 2oqp s THR 93 Ca -0.08 0.63 0.10 0.00 0.31 0.00 0.00 61.69 62.65 2oqp s THR 93 Cb -0.11 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2oqp s THR 93 CO -0.04 -0.04 -0.15 0.00 -0.69 0.00 0.00 174.62 173.70 2oqp s PRO 95 N -3.02 3.18 0.00 0.00 0.04 -1.26 -4.95 135.00 129.00 2oqp s PRO 95 Ca 0.25 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2oqp s PRO 95 Cb -0.07 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2oqp s PRO 95 CO 0.14 -2.08 0.00 0.43 0.04 0.00 0.00 177.00 175.53 2oqp n SER 96 N 10.13 0.00 0.07 6.66 7.64 -1.26 -4.82 113.62 132.04 2oqp n SER 96 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2oqp n SER 96 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2oqp n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oqp n ASP 98 N -2.73 8.36 0.00 0.00 5.68 -1.26 -3.92 116.55 122.68 2oqp n ASP 98 Ca 0.00 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 2oqp n ASP 98 Cb 0.00 -1.48 0.00 0.00 -1.14 0.00 0.00 41.12 38.50 2oqp n ASP 98 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2oqp n SER 99 N 2.80 2.07 -3.15 -1.12 2.88 -1.26 -5.07 113.62 110.76 2oqp n SER 99 Ca 0.71 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2oqp n SER 99 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -2.66 -0.14 -0.79 0.66 4.01 -1.25 -4.99 117.16 111.99 2oqp n TYR 100 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2oqp n TYR 100 Cb 0.46 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.00 2.25 -0.49 -0.72 0.28 -1.26 -5.10 120.64 115.60 2oqp n GLU 101 Ca 0.00 -2.46 0.07 0.00 -0.16 0.00 0.00 57.16 54.61 2oqp n GLU 101 Cb 0.00 -1.52 -0.02 0.00 1.43 0.00 0.00 31.44 31.33 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 -0.78 -1.00 -3.84 3.44 4.01 -1.26 -5.01 118.16 113.73 2oqp n LYS 102 Ca 0.15 0.67 -0.07 0.00 -0.51 0.00 0.00 58.31 58.55 2oqp n LYS 102 Cb 0.65 -1.22 -0.01 0.00 -0.51 0.00 0.00 35.03 33.94 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 -1.51 1.75 1.02 1.97 1.02 -0.52 -4.90 119.74 118.57 2oqp s LYS 103 Ca 0.00 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 54.84 2oqp s LYS 103 Cb 0.00 0.58 0.21 0.00 -0.52 0.00 0.00 37.83 38.09 2oqp s LYS 103 CO 0.00 -0.80 1.19 -1.25 -0.92 0.00 0.00 175.35 173.57 2oqp s PRO 104 N -3.61 0.22 -0.08 -1.68 0.04 -1.26 -2.42 135.00 126.20 2oqp s PRO 104 Ca 0.12 -0.06 -0.27 0.00 0.04 0.00 0.00 61.00 60.83 2oqp s PRO 104 Cb -0.05 -1.76 -0.23 0.00 0.04 0.00 0.00 34.50 32.49 2oqp s PRO 104 CO 0.07 -2.75 1.01 -1.00 0.04 0.00 0.00 177.00 174.37 2oqp h PRO 105 N -1.89 0.00 -0.82 0.56 0.13 -1.85 0.24 132.00 128.37 2oqp h PRO 105 Ca -0.47 -0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.85 2oqp h PRO 105 Cb 1.29 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 2oqp h PRO 105 CO 0.45 0.75 0.29 1.57 -0.23 0.00 0.00 178.00 180.84 2oqp h LYS 106 N -0.75 0.35 0.06 0.86 2.10 -1.95 0.23 116.57 117.47 2oqp h LYS 106 Ca -0.00 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2oqp h LYS 106 Cb 0.75 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2oqp h LYS 106 CO 0.00 0.23 -0.03 0.93 -2.00 0.00 0.00 179.45 178.58 2oqp h GLU 107 N 0.36 -0.08 -1.30 0.07 4.39 -1.95 -1.29 114.58 114.77 2oqp h GLU 107 Ca 0.48 0.01 0.39 0.00 0.34 0.00 0.00 59.36 60.58 2oqp h GLU 107 Cb 0.85 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.42 2oqp h GLU 107 CO -0.51 0.53 0.87 0.35 -1.16 0.00 0.00 179.01 179.09 2oqp h PHE 108 N -0.87 0.40 0.07 4.33 3.57 0.33 0.68 116.94 125.46 2oqp h PHE 108 Ca -0.01 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 2oqp h PHE 108 Cb 0.64 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2oqp h PHE 108 CO 0.15 -0.08 -0.79 -0.07 -2.23 0.00 0.00 178.31 175.29 2oqp h LEU 109 N 0.14 0.23 -2.63 0.59 -0.00 -0.61 -1.50 115.31 111.54 2oqp h LEU 109 Ca 0.73 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2oqp h LEU 109 Cb 2.38 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.97 2oqp h LEU 109 CO -0.26 1.35 0.11 -0.08 -0.00 0.00 0.00 178.44 179.56 2oqp h GLU 110 N -0.64 0.00 0.00 1.13 4.81 0.90 0.26 114.58 121.04 2oqp h GLU 110 Ca -0.17 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.74 2oqp h GLU 110 Cb 1.43 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.76 2oqp h GLU 110 CO 0.03 0.00 -1.75 0.54 -0.73 0.00 0.00 179.01 177.10 2oqp n ARG 111 N -3.00 0.58 0.01 1.92 5.12 0.19 -3.50 116.66 117.98 2oqp n ARG 111 Ca -0.03 0.46 -0.10 0.00 -1.93 0.00 0.00 57.85 56.25 2oqp n ARG 111 Cb 0.18 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 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 -0.99 -0.59 -0.19 -1.55 3.57 -0.63 1.27 116.94 117.83 2oqp h PHE 112 Ca -0.48 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.07 2oqp h PHE 112 Cb 1.43 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 2oqp h PHE 112 CO 0.03 -0.31 0.01 -0.22 -2.23 0.00 0.00 178.31 175.59 2oqp h LYS 113 N -0.30 0.07 -0.31 1.11 3.11 -1.19 -0.84 116.57 118.23 2oqp h LYS 113 Ca 0.09 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.94 2oqp h LYS 113 Cb 0.43 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2oqp h LYS 113 CO -0.27 0.05 0.17 0.77 -2.81 0.00 0.00 179.45 177.35 2oqp h SER 114 N 0.07 0.26 -0.99 4.20 0.02 -1.43 -0.78 113.55 114.91 2oqp h SER 114 Ca 0.09 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.23 2oqp h SER 114 Cb 0.10 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.50 2oqp h SER 114 CO -0.14 0.19 0.61 0.25 -1.14 0.00 0.00 176.83 176.61 2oqp h LEU 115 N 0.34 0.73 0.61 5.07 7.12 0.22 1.58 115.31 130.99 2oqp h LEU 115 Ca 0.12 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.18 2oqp h LEU 115 Cb 0.02 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 40.10 2oqp h LEU 115 CO -0.07 0.28 -0.30 -0.07 -0.13 0.00 0.00 178.44 178.16 2oqp h LEU 116 N 0.73 -0.70 0.00 2.25 3.38 -0.03 -1.52 115.31 119.41 2oqp h LEU 116 Ca 0.55 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2oqp h LEU 116 Cb 0.90 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2oqp h LEU 116 CO -0.33 -0.38 0.00 0.00 0.09 0.00 0.00 178.44 177.82 2oqp n GLN 117 N -4.88 0.10 0.00 1.13 10.64 -0.41 0.87 117.38 124.82 2oqp n GLN 117 Ca -0.10 0.23 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 2oqp n GLN 117 Cb 0.33 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 2oqp n GLN 117 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2oqp n LYS 118 N -1.31 0.00 -0.07 2.61 5.02 0.53 -4.42 118.16 120.53 2oqp n LYS 118 Ca 0.03 0.42 -0.06 0.00 -2.02 0.00 0.00 58.31 56.68 2oqp n LYS 118 Cb 0.06 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.96 0.41 -0.34 1.97 1.56 -0.61 -3.91 117.12 114.24 2oqp n MET 119 Ca 0.00 0.30 -0.02 0.00 -0.27 0.00 0.00 57.70 57.71 2oqp n MET 119 Cb 0.00 -1.37 0.02 0.00 2.15 0.00 0.00 33.22 34.01 2oqp n MET 119 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2oqp n ILE 120 N -4.15 -0.48 0.00 1.12 -0.00 -0.37 0.21 119.36 115.69 2oqp n ILE 120 Ca -0.09 2.05 0.00 0.00 -0.00 0.00 0.00 62.75 64.71 2oqp n ILE 120 Cb 0.34 -2.68 0.00 0.00 -0.00 0.00 0.00 39.64 37.30 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 -5.26 0.00 -0.31 1.39 -0.00 0.25 -1.74 115.22 109.55 2oqp n HIS 121 Ca 0.08 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.95 2oqp n HIS 121 Cb 0.33 -0.44 0.34 0.00 -0.00 0.00 0.00 29.99 30.22 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 0.37 -0.95 1.57 3.07 -1.16 0.31 115.11 118.32 2oqp h GLN 122 Ca 0.00 -0.02 0.37 0.00 0.09 0.00 0.00 58.65 59.09 2oqp h GLN 122 Cb 0.00 -0.08 -0.17 0.00 0.08 0.00 0.00 27.48 27.30 2oqp h GLN 122 CO 0.00 0.24 0.41 1.58 0.09 0.00 0.00 178.83 181.16 2oqp n HIS 123 N -5.05 1.01 0.02 0.06 -0.00 0.55 0.80 115.22 112.61 2oqp n HIS 123 Ca 0.24 1.12 -0.11 0.00 0.46 0.00 0.00 57.72 59.44 2oqp n HIS 123 Cb 0.72 -1.46 -0.08 0.00 -0.12 0.00 0.00 29.99 29.05 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 -0.13 0.00 0.27 7.12 -0.15 -3.28 115.31 119.14 2oqp h LEU 124 Ca 0.76 -0.44 0.00 0.00 0.13 0.00 0.00 57.88 58.33 2oqp h LEU 124 Cb 1.94 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 42.11 2oqp h LEU 124 CO -0.76 0.48 0.00 -0.24 -0.13 0.00 0.00 178.44 177.79 2oqp n SER 125 N -4.86 0.00 -1.20 1.25 2.88 0.24 -4.65 113.62 107.27 2oqp n SER 125 Ca -0.08 0.85 -0.01 0.00 -1.33 0.00 0.00 58.87 58.30 2oqp n SER 125 Cb 0.28 -0.35 0.01 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.38 -0.25 -3.09 -3.46 2.88 -0.26 -5.06 113.62 102.00 2oqp n SER 126 Ca 0.00 -0.85 -0.05 0.00 -1.33 0.00 0.00 58.87 56.64 2oqp n SER 126 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2oqp n SER 126 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2oqp n ARG 127 N -0.17 -1.35 -2.23 -1.46 0.63 -0.71 -4.89 116.66 106.48 2oqp n ARG 127 Ca -0.05 1.41 -0.34 0.00 -0.92 0.00 0.00 57.85 57.95 2oqp n ARG 127 Cb 0.47 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 30.97 2oqp n ARG 127 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2oqp s THR 128 N -1.28 3.41 -0.04 5.15 2.01 -1.26 -4.99 115.64 118.63 2oqp s THR 128 Ca 0.05 0.81 -0.15 0.00 0.31 0.00 0.00 61.69 62.72 2oqp s THR 128 Cb -0.01 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 2oqp s THR 128 CO 0.33 -0.25 0.61 -0.74 -0.69 0.00 0.00 174.62 173.87 2oqp h HIS 129 N 1.01 -0.44 0.00 4.92 2.76 -2.01 -3.50 115.15 117.90 2oqp h HIS 129 Ca -0.49 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2oqp h HIS 129 Cb 1.24 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.35 2oqp h HIS 129 CO 0.54 -0.23 0.00 0.41 -1.30 0.00 0.00 177.93 177.35 2oqp n GLY 130 N 0.52 3.63 3.09 5.26 0.00 -1.26 -5.07 105.19 111.37 2oqp n GLY 130 Ca -0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2oqp n GLY 130 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oqp s SER 131 N 0.00 -0.23 0.27 1.61 0.15 -1.26 -5.16 113.70 109.08 2oqp s SER 131 Ca 0.00 0.45 -0.20 0.00 0.70 0.00 0.00 55.95 56.90 2oqp s SER 131 Cb 0.00 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 2oqp s SER 131 CO 0.00 -0.09 0.69 -1.61 1.20 0.00 0.00 173.24 173.44 2oqp s GLU 132 N 0.25 1.76 0.30 5.44 0.41 -1.26 -5.08 118.70 120.52 2oqp s GLU 132 Ca -0.01 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 53.54 2oqp s GLU 132 Cb -0.03 0.60 0.00 0.00 -1.78 0.00 0.00 34.13 32.92 2oqp s GLU 132 CO -0.01 -0.80 0.00 -3.47 -0.49 0.00 0.00 175.26 170.49 2oqp n ASP 133 N -0.45 -2.22 0.00 -0.19 -0.08 -1.26 -5.36 116.55 107.00 2oqp n ASP 133 Ca -0.04 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 2oqp n ASP 133 Cb 0.59 2.21 0.00 0.00 2.34 0.00 0.00 41.12 46.26 2oqp n ASP 133 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08