#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q0g n ASP 3 N 0.82 -4.07 -0.03 0.00 -0.08 -1.26 -4.95 116.55 106.98 1q0g n ASP 3 Ca 0.15 0.19 -0.12 0.00 -1.51 0.00 0.00 54.79 53.50 1q0g n ASP 3 Cb 0.50 -2.24 -0.07 0.00 2.34 0.00 0.00 41.12 41.65 1q0g n ASP 3 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1q0g h LEU 4 N 0.00 0.16-10.20 -2.67 5.85 -2.03 -3.47 115.31 102.96 1q0g h LEU 4 Ca -0.16 -0.34 -0.49 0.00 0.84 0.00 0.00 57.88 57.74 1q0g h LEU 4 Cb 0.55 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.55 1q0g h LEU 4 CO 0.23 0.47 0.24 -2.16 -0.34 0.00 0.00 178.44 176.88 1q0g s PRO 5 N -4.84 3.81 -0.01 5.25 0.04 -1.26 -5.13 135.00 132.86 1q0g s PRO 5 Ca -0.15 0.67 0.18 0.00 0.04 0.00 0.00 61.00 61.74 1q0g s PRO 5 Cb 0.04 -2.26 -0.24 0.00 0.04 0.00 0.00 34.50 32.08 1q0g s PRO 5 CO 0.70 -0.19 0.54 0.00 0.04 0.00 0.00 177.00 178.10 1q0g n GLY 7 N 1.45 0.59 3.35 0.00 0.00 -1.26 -4.94 105.19 104.39 1q0g n GLY 7 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1q0g n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q0g s VAL 8 N -2.45 3.85 0.03 1.61 1.01 -1.26 -4.95 120.40 118.23 1q0g s VAL 8 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1q0g s VAL 8 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1q0g s VAL 8 CO 0.00 0.24 0.05 -0.31 0.00 0.00 0.00 175.10 175.09 1q0g s TYR 9 N 1.52 0.22 -0.30 5.22 2.02 -1.26 -0.95 117.35 123.82 1q0g s TYR 9 Ca 0.04 -0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 1q0g s TYR 9 Cb -0.16 -0.16 0.16 0.00 -0.40 0.00 0.00 41.96 41.40 1q0g s TYR 9 CO 0.01 -0.30 0.88 0.34 -1.57 0.00 0.00 175.55 174.91 1q0g s ASP 10 N -1.85 -0.78 0.11 2.29 -1.08 -1.26 -5.00 116.67 109.09 1q0g s ASP 10 Ca -0.09 0.90 0.06 0.00 -0.52 0.00 0.00 52.55 52.90 1q0g s ASP 10 Cb -0.04 1.82 0.33 0.00 -1.46 0.00 0.00 42.92 43.56 1q0g s ASP 10 CO -0.03 -0.15 1.12 -2.65 0.52 0.00 0.00 175.17 173.98 1q0g n PRO 11 N 5.20 0.04 0.09 4.34 -0.02 -1.26 -1.82 135.00 141.57 1q0g n PRO 11 Ca -0.08 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1q0g n PRO 11 Cb 0.52 -1.72 0.60 0.00 -0.02 0.00 0.00 33.50 32.88 1q0g n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q0g h ALA 12 N 1.69 2.11 -0.29 3.55 0.00 -1.98 -0.71 119.26 123.62 1q0g h ALA 12 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q0g h ALA 12 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1q0g h ALA 12 CO 0.00 -0.17 0.13 1.96 0.00 0.00 0.00 179.25 181.17 1q0g h GLN 13 N 0.15 0.43 -0.46 0.00 4.20 -1.79 -0.26 115.11 117.37 1q0g h GLN 13 Ca 0.14 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1q0g h GLN 13 Cb 0.37 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1q0g h GLN 13 CO -0.02 0.42 -0.21 0.00 -0.67 0.00 0.00 178.83 178.35 1q0g h ALA 14 N 0.98 0.76 -0.50 3.87 0.00 -1.53 -3.12 119.26 119.73 1q0g h ALA 14 Ca 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1q0g h ALA 14 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1q0g h ALA 14 CO -0.01 0.66 0.19 -0.09 0.00 0.00 0.00 179.25 180.00 1q0g h ARG 15 N 0.80 0.76 -0.79 0.00 2.43 -0.89 -1.31 114.38 115.37 1q0g h ARG 15 Ca 0.11 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1q0g h ARG 15 Cb 0.77 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1q0g h ARG 15 CO 0.06 0.68 0.40 0.82 -1.51 0.00 0.00 179.97 180.42 1q0g h ILE 16 N 0.67 1.24 -0.40 1.20 2.04 -1.05 0.20 117.51 121.42 1q0g h ILE 16 Ca 0.17 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 1q0g h ILE 16 Cb 0.22 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1q0g h ILE 16 CO -0.01 0.29 -0.27 -0.33 0.00 0.00 0.00 178.15 177.83 1q0g h GLU 17 N 1.11 0.83 -0.09 2.37 4.39 -1.46 -1.94 114.58 119.79 1q0g h GLU 17 Ca 0.27 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1q0g h GLU 17 Cb 0.09 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1q0g h GLU 17 CO -0.04 1.00 -0.36 0.00 -1.16 0.00 0.00 179.01 178.45 1q0g h ALA 18 N 0.98 1.22 -0.38 3.43 0.00 -0.73 -1.61 119.26 122.18 1q0g h ALA 18 Ca 0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1q0g h ALA 18 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1q0g h ALA 18 CO 0.07 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.64 1q0g h GLU 19 N 0.16 0.69 -0.58 0.00 5.08 -0.30 -2.17 114.58 117.45 1q0g h GLU 19 Ca 0.02 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1q0g h GLU 19 Cb 0.72 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1q0g h GLU 19 CO 0.05 0.80 -0.04 0.77 -1.00 0.00 0.00 179.01 179.60 1q0g h SER 20 N 0.62 1.03 -0.22 1.42 0.02 -0.66 -1.49 113.55 114.27 1q0g h SER 20 Ca 0.10 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1q0g h SER 20 Cb 0.60 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1q0g h SER 20 CO 0.04 1.10 0.03 0.58 -1.14 0.00 0.00 176.83 177.45 1q0g h VAL 21 N 0.95 0.88 -0.54 2.27 2.07 -0.89 0.39 116.25 121.39 1q0g h VAL 21 Ca 0.16 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 1q0g h VAL 21 Cb 0.60 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1q0g h VAL 21 CO 0.04 0.02 -0.03 0.50 0.02 0.00 0.00 177.57 178.12 1q0g h LYS 22 N 0.12 0.96 -0.95 1.57 3.64 -1.28 -2.03 116.57 118.61 1q0g h LYS 22 Ca 0.10 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1q0g h LYS 22 Cb 0.11 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1q0g h LYS 22 CO -0.15 0.99 0.60 0.00 -2.27 0.00 0.00 179.45 178.62 1q0g h ALA 23 N 0.94 1.28 -0.47 5.00 0.00 -0.93 -1.19 119.26 123.89 1q0g h ALA 23 Ca 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1q0g h ALA 23 Cb 0.57 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1q0g h ALA 23 CO 0.03 0.65 -0.17 0.82 0.00 0.00 0.00 179.25 180.57 1q0g h ILE 24 N 1.30 1.27 -0.60 0.00 2.04 -0.72 -1.79 117.51 119.01 1q0g h ILE 24 Ca 0.34 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1q0g h ILE 24 Cb -0.11 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1q0g h ILE 24 CO -0.07 0.45 0.18 1.56 0.00 0.00 0.00 178.15 180.28 1q0g h GLN 25 N 0.81 0.90 -0.39 2.37 4.20 -0.69 -0.18 115.11 122.13 1q0g h GLN 25 Ca 0.12 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1q0g h GLN 25 Cb 0.72 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1q0g h GLN 25 CO 0.06 0.78 0.07 0.93 -0.67 0.00 0.00 178.83 180.00 1q0g h GLU 26 N 0.88 0.64 -0.19 1.46 5.08 -0.95 -2.61 114.58 118.89 1q0g h GLU 26 Ca 0.20 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1q0g h GLU 26 Cb 0.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1q0g h GLU 26 CO -0.01 0.69 -0.10 0.87 -1.00 0.00 0.00 179.01 179.46 1q0g h LYS 27 N 0.49 0.29 -0.06 2.33 1.57 -0.85 -2.17 116.57 118.18 1q0g h LYS 27 Ca 0.12 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1q0g h LYS 27 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1q0g h LYS 27 CO 0.01 0.41 -0.27 0.52 -0.57 0.00 0.00 179.45 179.54 1q0g h MET 28 N 0.28 0.11 0.00 3.15 2.86 -0.69 -2.19 114.93 118.44 1q0g h MET 28 Ca 0.06 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1q0g h MET 28 Cb 0.36 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1q0g h MET 28 CO 0.02 0.38 -0.19 0.00 1.06 0.00 0.00 176.91 178.18 1q0g h ALA 29 N 1.62 0.96 0.00 6.32 0.00 -1.04 -3.23 119.26 123.90 1q0g h ALA 29 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1q0g h ALA 29 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1q0g h ALA 29 CO 0.04 0.24 -0.92 0.00 0.00 0.00 0.00 179.25 178.61 1q0g n ALA 30 N -2.18 3.40 -3.63 0.00 0.00 -0.86 -4.82 120.51 112.42 1q0g n ALA 30 Ca 0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 53.44 52.80 1q0g n ALA 30 Cb 0.47 -1.01 -0.17 0.00 0.00 0.00 0.00 19.45 18.75 1q0g n ALA 30 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q0g s ASN 31 N -3.84 2.71 0.00 0.00 3.84 -1.00 -5.01 114.94 111.65 1q0g s ASN 31 Ca 0.05 -0.80 0.11 0.00 0.21 0.00 0.00 52.86 52.43 1q0g s ASN 31 Cb 0.15 -0.36 0.37 0.00 -0.55 0.00 0.00 41.25 40.85 1q0g s ASN 31 CO 0.78 -0.36 1.28 -0.90 -2.79 0.00 0.00 177.10 175.12 1q0g n ASP 32 N 5.21 1.41 -4.71 -4.21 5.68 -1.26 -4.66 116.55 114.00 1q0g n ASP 32 Ca -0.07 -1.92 -0.43 0.00 -0.50 0.00 0.00 54.79 51.87 1q0g n ASP 32 Cb 0.47 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.27 1q0g n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1q0g n ASP 33 N 0.24 3.65 0.00 -1.12 -0.08 -1.26 -4.86 116.55 113.12 1q0g n ASP 33 Ca 0.10 1.11 -0.09 0.00 -1.51 0.00 0.00 54.79 54.40 1q0g n ASP 33 Cb 0.24 -1.54 -0.03 0.00 2.34 0.00 0.00 41.12 42.13 1q0g n ASP 33 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1q0g h LEU 34 N 5.61 -0.59 -1.25 -2.67 5.85 -1.99 -0.53 115.31 119.73 1q0g h LEU 34 Ca -0.45 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 1q0g h LEU 34 Cb 1.23 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1q0g h LEU 34 CO 0.86 -0.24 -0.12 0.45 -0.34 0.00 0.00 178.44 179.05 1q0g h HIS 35 N -0.24 0.39 -0.43 1.25 3.86 -1.99 -0.56 115.15 117.42 1q0g h HIS 35 Ca 0.10 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 1q0g h HIS 35 Cb 0.39 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1q0g h HIS 35 CO -0.30 0.48 -0.24 0.35 0.86 0.00 0.00 177.93 179.09 1q0g h PHE 36 N 0.34 1.06 -0.87 2.45 3.57 -1.85 -1.50 116.94 120.14 1q0g h PHE 36 Ca 0.07 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 1q0g h PHE 36 Cb 0.42 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1q0g h PHE 36 CO 0.01 1.07 0.49 1.96 -2.23 0.00 0.00 178.31 179.61 1q0g h GLN 37 N 0.74 1.20 0.23 1.11 1.08 -0.44 0.15 115.11 119.19 1q0g h GLN 37 Ca 0.09 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1q0g h GLN 37 Cb 0.81 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1q0g h GLN 37 CO 0.07 0.87 -0.11 0.82 -0.95 0.00 0.00 178.83 179.53 1q0g h ILE 38 N 1.21 0.84 -0.65 2.54 2.04 -0.89 -1.14 117.51 121.46 1q0g h ILE 38 Ca 0.31 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1q0g h ILE 38 Cb 0.01 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1q0g h ILE 38 CO -0.05 0.09 0.42 0.03 0.00 0.00 0.00 178.15 178.64 1q0g h ARG 39 N -0.51 0.82 -0.72 2.37 3.08 -1.06 -0.69 114.38 117.67 1q0g h ARG 39 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1q0g h ARG 39 Cb 0.38 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1q0g h ARG 39 CO 0.05 0.54 0.40 0.00 -1.07 0.00 0.00 179.97 179.89 1q0g h ALA 40 N 1.25 0.93 -0.33 0.04 0.00 -0.66 -0.40 119.26 120.09 1q0g h ALA 40 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1q0g h ALA 40 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1q0g h ALA 40 CO -0.07 0.44 0.10 1.15 0.00 0.00 0.00 179.25 180.87 1q0g h THR 41 N 1.00 1.21 0.01 0.00 2.02 -0.82 0.10 112.91 116.43 1q0g h THR 41 Ca 0.26 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1q0g h THR 41 Cb 0.03 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1q0g h THR 41 CO -0.04 0.23 -0.03 0.58 0.37 0.00 0.00 175.52 176.63 1q0g h VAL 42 N 0.38 0.93 -0.32 3.16 2.07 -0.83 -1.71 116.25 119.92 1q0g h VAL 42 Ca 0.11 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 1q0g h VAL 42 Cb 0.26 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1q0g h VAL 42 CO -0.00 0.00 -0.33 0.40 0.02 0.00 0.00 177.57 177.66 1q0g h ILE 43 N -0.06 1.28 -0.80 4.57 2.04 -1.03 -2.57 117.51 120.95 1q0g h ILE 43 Ca 0.01 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1q0g h ILE 43 Cb 0.07 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1q0g h ILE 43 CO -0.02 0.48 0.40 0.50 0.00 0.00 0.00 178.15 179.51 1q0g h LYS 44 N 0.59 1.13 -0.39 2.37 3.64 -0.65 -0.88 116.57 122.38 1q0g h LYS 44 Ca 0.06 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1q0g h LYS 44 Cb 0.84 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1q0g h LYS 44 CO 0.07 0.86 0.24 1.49 -2.27 0.00 0.00 179.45 179.83 1q0g h GLU 45 N 1.13 0.54 -0.41 1.90 4.57 -1.06 -0.70 114.58 120.55 1q0g h GLU 45 Ca 0.28 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1q0g h GLU 45 Cb 0.08 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1q0g h GLU 45 CO -0.04 0.41 0.14 1.96 -1.18 0.00 0.00 179.01 180.30 1q0g h GLN 46 N 0.52 0.62 -0.24 1.92 4.20 -1.02 -1.63 115.11 119.47 1q0g h GLN 46 Ca 0.14 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1q0g h GLN 46 Cb 0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1q0g h GLN 46 CO -0.03 0.61 -0.47 0.00 -0.67 0.00 0.00 178.83 178.27 1q0g h ARG 47 N 0.51 0.62 -0.58 1.46 2.47 -1.04 -2.18 114.38 115.64 1q0g h ARG 47 Ca 0.13 -0.35 -0.07 0.00 -1.26 0.00 0.00 59.98 58.43 1q0g h ARG 47 Cb 0.24 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1q0g h ARG 47 CO -0.01 0.96 0.06 0.00 0.56 0.00 0.00 179.97 181.55 1q0g h ALA 48 N 0.98 1.02 -0.62 0.04 0.00 -1.06 -0.90 119.26 118.73 1q0g h ALA 48 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1q0g h ALA 48 Cb 1.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1q0g h ALA 48 CO 0.09 0.62 0.23 1.49 0.00 0.00 0.00 179.25 181.69 1q0g h GLU 49 N 0.90 0.94 -0.71 0.00 4.57 -1.11 -0.45 114.58 118.72 1q0g h GLU 49 Ca 0.18 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1q0g h GLU 49 Cb 0.44 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 1q0g h GLU 49 CO 0.01 0.81 0.16 -0.07 -1.18 0.00 0.00 179.01 178.75 1q0g h LEU 50 N 0.88 1.07 -0.51 1.64 3.38 -1.04 -0.74 115.31 119.98 1q0g h LEU 50 Ca 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1q0g h LEU 50 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1q0g h LEU 50 CO -0.01 1.03 0.31 0.00 0.09 0.00 0.00 178.44 179.85 1q0g h ALA 51 N 1.10 0.66 -0.74 1.53 0.00 -0.75 -0.59 119.26 120.46 1q0g h ALA 51 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1q0g h ALA 51 Cb 0.38 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1q0g h ALA 51 CO 0.00 0.15 0.43 0.87 0.00 0.00 0.00 179.25 180.70 1q0g h LYS 52 N 0.69 1.02 -0.50 0.00 1.57 -0.69 -2.09 116.57 116.57 1q0g h LYS 52 Ca 0.18 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1q0g h LYS 52 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1q0g h LYS 52 CO -0.03 0.74 0.28 1.25 -0.57 0.00 0.00 179.45 181.11 1q0g h HIS 53 N 1.02 0.68 -0.81 -1.35 2.76 -0.63 0.16 115.15 116.98 1q0g h HIS 53 Ca 0.26 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1q0g h HIS 53 Cb -0.00 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 1q0g h HIS 53 CO -0.01 0.50 0.43 0.45 -1.30 0.00 0.00 177.93 178.00 1q0g h HIS 54 N 0.66 1.12 -0.31 5.26 3.86 -0.80 -0.50 115.15 124.44 1q0g h HIS 54 Ca 0.18 -0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.19 1q0g h HIS 54 Cb 0.04 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1q0g h HIS 54 CO -0.02 0.79 -0.45 -0.07 0.86 0.00 0.00 177.93 179.04 1q0g h LEU 55 N 1.14 0.88 -1.02 2.43 3.38 -1.05 -2.34 115.31 118.72 1q0g h LEU 55 Ca 0.28 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1q0g h LEU 55 Cb 0.05 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1q0g h LEU 55 CO -0.04 1.19 0.66 0.44 0.09 0.00 0.00 178.44 180.78 1q0g h ASP 56 N 0.65 1.13 -0.58 -0.43 3.32 -0.33 -1.16 116.42 119.03 1q0g h ASP 56 Ca 0.04 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1q0g h ASP 56 Cb 1.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1q0g h ASP 56 CO 0.10 0.81 0.10 0.58 -1.72 0.00 0.00 179.24 179.12 1q0g h VAL 57 N 1.33 1.25 -0.38 -1.35 2.07 -0.93 0.16 116.25 118.40 1q0g h VAL 57 Ca 0.37 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1q0g h VAL 57 Cb -0.13 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1q0g h VAL 57 CO -0.09 0.35 0.21 -0.07 0.02 0.00 0.00 177.57 177.99 1q0g h LEU 58 N 0.85 0.48 -0.41 2.57 3.38 -0.86 0.17 115.31 121.48 1q0g h LEU 58 Ca 0.18 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1q0g h LEU 58 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1q0g h LEU 58 CO 0.01 0.43 0.09 -0.25 0.09 0.00 0.00 178.44 178.81 1q0g h TRP 59 N 0.49 0.70 0.12 1.13 7.01 -1.00 0.71 115.95 125.10 1q0g h TRP 59 Ca 0.13 -0.09 -0.30 0.00 2.11 0.00 0.00 58.89 60.75 1q0g h TRP 59 Cb 0.06 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1q0g h TRP 59 CO -0.02 0.67 -1.48 0.66 -2.79 0.00 0.00 178.44 175.47 1q0g h SER 60 N 0.52 0.39 0.00 2.65 4.64 -0.60 -3.38 113.55 117.77 1q0g h SER 60 Ca 0.13 -0.51 -0.42 0.00 -0.47 0.00 0.00 61.79 60.51 1q0g h SER 60 Cb 0.33 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 1q0g h SER 60 CO 0.00 1.42 -2.41 0.47 -0.87 0.00 0.00 176.83 175.45 1q0g n ASP 61 N -3.46 1.78 0.03 4.97 9.92 0.58 -4.81 116.55 125.56 1q0g n ASP 61 Ca -0.15 0.30 -0.08 0.00 -0.53 0.00 0.00 54.79 54.33 1q0g n ASP 61 Cb 1.04 -0.73 -0.06 0.00 -0.64 0.00 0.00 41.12 40.73 1q0g n ASP 61 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1q0g h TYR 62 N -0.88 -0.16 -3.45 1.24 3.20 -1.26 -3.45 116.97 112.21 1q0g h TYR 62 Ca -0.64 -0.00 -0.52 0.00 3.14 0.00 0.00 58.73 60.70 1q0g h TYR 62 Cb 1.57 0.05 0.03 0.00 1.54 0.00 0.00 36.73 39.92 1q0g h TYR 62 CO -0.08 0.22 0.64 -0.06 -1.64 0.00 0.00 178.16 177.24 1q0g s PHE 63 N -2.73 3.26 0.36 -3.82 0.08 0.17 -5.02 117.98 110.28 1q0g s PHE 63 Ca -0.10 1.27 0.03 0.00 0.12 0.00 0.00 56.93 58.25 1q0g s PHE 63 Cb -0.00 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.82 1q0g s PHE 63 CO 0.35 -1.79 0.11 0.15 -0.10 0.00 0.00 175.22 173.94 1q0g s LYS 64 N -0.30 1.76 0.31 0.44 1.02 -1.26 -4.73 119.74 116.96 1q0g s LYS 64 Ca 0.55 -2.03 0.03 0.00 0.02 0.00 0.00 55.97 54.55 1q0g s LYS 64 Cb -0.36 -0.57 0.78 0.00 -0.52 0.00 0.00 37.83 37.16 1q0g s LYS 64 CO 0.39 -0.38 1.59 -1.35 -0.92 0.00 0.00 175.35 174.69 1q0g h PRO 65 N 1.99 0.05 -0.79 -1.68 0.11 -1.99 0.18 132.00 129.88 1q0g h PRO 65 Ca -0.37 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.84 1q0g h PRO 65 Cb 1.26 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1q0g h PRO 65 CO 0.60 0.03 0.51 -1.35 -0.21 0.00 0.00 178.00 177.59 1q0g h PRO 66 N 0.05 0.69 -0.09 1.05 0.11 -1.99 0.36 132.00 132.19 1q0g h PRO 66 Ca 0.60 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.49 1q0g h PRO 66 Cb 1.27 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1q0g h PRO 66 CO -0.84 0.46 -0.67 0.45 -0.21 0.00 0.00 178.00 177.19 1q0g h HIS 67 N 0.72 0.84 0.00 0.65 3.86 -1.07 -1.91 115.15 118.24 1q0g h HIS 67 Ca 0.36 -0.40 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 1q0g h HIS 67 Cb 0.46 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1q0g h HIS 67 CO -0.00 1.20 -0.26 0.74 0.86 0.00 0.00 177.93 180.48 1q0g h PHE 68 N 0.24 0.00 0.02 2.45 0.04 -0.89 0.61 116.94 119.41 1q0g h PHE 68 Ca -0.06 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.46 1q0g h PHE 68 Cb 1.32 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.49 1q0g h PHE 68 CO 0.11 0.26 -0.98 0.93 -0.60 0.00 0.00 178.31 178.03 1q0g h GLU 69 N 0.00 0.64 0.00 1.51 5.08 -0.89 -3.08 114.58 117.84 1q0g h GLU 69 Ca -0.00 -0.71 -0.12 0.00 -1.00 0.00 0.00 59.36 57.54 1q0g h GLU 69 Cb 0.60 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1q0g h GLU 69 CO 0.03 1.29 -0.55 0.77 -1.00 0.00 0.00 179.01 179.56 1q0g h SER 70 N 0.27 0.00 -2.83 1.42 0.02 -1.05 -3.36 113.55 108.02 1q0g h SER 70 Ca -0.13 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.21 1q0g h SER 70 Cb 1.65 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.79 1q0g h SER 70 CO 0.19 0.55 -0.74 -0.31 -1.14 0.00 0.00 176.83 175.38 1q0g s TYR 71 N -3.47 2.52 0.64 3.45 2.02 0.18 -4.97 117.35 117.73 1q0g s TYR 71 Ca -0.00 -2.90 0.32 0.00 -0.37 0.00 0.00 57.07 54.12 1q0g s TYR 71 Cb 0.11 -1.96 1.76 0.00 -0.40 0.00 0.00 41.96 41.47 1q0g s TYR 71 CO 0.74 -0.67 2.05 -1.35 -1.57 0.00 0.00 175.55 174.75 1q0g h PRO 72 N 5.55 0.00 -0.01 -1.71 0.11 -1.70 -0.65 132.00 133.59 1q0g h PRO 72 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1q0g h PRO 72 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1q0g h PRO 72 CO 0.57 0.00 -0.26 -0.85 -0.21 0.00 0.00 178.00 177.25 1q0g n GLU 73 N -3.29 0.83 -0.15 1.05 0.00 -1.26 -4.44 120.64 113.38 1q0g n GLU 73 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 57.16 56.62 1q0g n GLU 73 Cb 0.35 -1.49 0.03 0.00 0.00 0.00 0.00 31.44 30.32 1q0g n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1q0g h LEU 74 N 1.18 0.44 -0.25 -1.84 5.85 -1.45 -1.03 115.31 118.21 1q0g h LEU 74 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1q0g h LEU 74 Cb 0.50 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1q0g h LEU 74 CO 0.00 0.31 -0.02 0.45 -0.34 0.00 0.00 178.44 178.84 1q0g h HIS 75 N 0.55 -0.06 -0.74 1.25 3.86 -1.80 -1.28 115.15 116.93 1q0g h HIS 75 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1q0g h HIS 75 Cb 0.02 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1q0g h HIS 75 CO -0.07 -0.07 0.42 1.15 0.86 0.00 0.00 177.93 180.22 1q0g h THR 76 N 0.05 1.22 -0.10 2.45 2.02 -1.80 -1.36 112.91 115.38 1q0g h THR 76 Ca 0.12 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1q0g h THR 76 Cb 0.17 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1q0g h THR 76 CO -0.22 0.24 0.03 0.25 0.37 0.00 0.00 175.52 176.19 1q0g h LEU 77 N 1.02 0.03 -0.70 2.58 5.85 -0.63 0.19 115.31 123.65 1q0g h LEU 77 Ca 0.26 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1q0g h LEU 77 Cb 0.02 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1q0g h LEU 77 CO -0.04 0.04 -0.17 0.58 -0.34 0.00 0.00 178.44 178.50 1q0g h VAL 78 N 0.08 1.27 -0.67 1.05 2.07 -1.13 -0.65 116.25 118.27 1q0g h VAL 78 Ca 0.04 -1.27 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1q0g h VAL 78 Cb 0.02 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1q0g h VAL 78 CO -0.05 0.43 0.15 -1.13 0.02 0.00 0.00 177.57 177.00 1q0g h ASN 79 N 0.73 1.02 -0.12 0.57 -0.73 -0.89 -0.94 115.58 115.23 1q0g h ASN 79 Ca 0.11 -0.22 -0.11 0.00 1.87 0.00 0.00 56.30 57.96 1q0g h ASN 79 Cb 0.68 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1q0g h ASN 79 CO 0.05 0.99 -0.27 -0.33 -0.37 0.00 0.00 177.43 177.50 1q0g h GLU 80 N 1.02 0.58 -0.19 6.67 5.08 -0.37 -1.68 114.58 125.69 1q0g h GLU 80 Ca 0.21 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1q0g h GLU 80 Cb 0.38 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1q0g h GLU 80 CO 0.00 0.79 0.06 0.00 -1.00 0.00 0.00 179.01 178.87 1q0g h ALA 81 N 1.21 0.25 -0.09 3.43 0.00 -0.48 0.56 119.26 124.13 1q0g h ALA 81 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1q0g h ALA 81 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1q0g h ALA 81 CO 0.06 -0.14 -0.46 -0.39 0.00 0.00 0.00 179.25 178.31 1q0g h VAL 82 N 0.14 1.33 0.00 0.00 -1.51 -1.11 -1.94 116.25 113.16 1q0g h VAL 82 Ca 0.06 -1.65 -0.10 0.00 -1.23 0.00 0.00 66.70 63.78 1q0g h VAL 82 Cb 0.21 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1q0g h VAL 82 CO -0.00 0.49 -0.49 0.11 -1.23 0.00 0.00 177.57 176.44 1q0g h LYS 83 N 0.18 0.00 -0.25 5.19 1.57 -1.11 -1.58 116.57 120.57 1q0g h LYS 83 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1q0g h LYS 83 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1q0g h LYS 83 CO 0.07 0.49 -0.35 0.00 -0.57 0.00 0.00 179.45 179.10 1q0g h ALA 84 N 1.51 0.92 -0.26 3.86 0.00 -0.33 -1.41 119.26 123.55 1q0g h ALA 84 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1q0g h ALA 84 Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1q0g h ALA 84 CO 0.06 0.62 -0.39 -0.07 0.00 0.00 0.00 179.25 179.48 1q0g h LEU 85 N 0.47 0.63 -0.89 0.00 3.38 -0.89 -0.77 115.31 117.23 1q0g h LEU 85 Ca 0.05 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1q0g h LEU 85 Cb 0.83 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1q0g h LEU 85 CO 0.07 0.95 0.17 0.28 0.09 0.00 0.00 178.44 180.00 1q0g h SER 86 N 0.49 0.92 -0.25 -0.43 0.02 -0.99 -1.29 113.55 112.02 1q0g h SER 86 Ca 0.04 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1q0g h SER 86 Cb 0.89 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1q0g h SER 86 CO 0.08 0.88 -0.12 0.00 -1.14 0.00 0.00 176.83 176.53 1q0g h ALA 87 N 1.24 1.09 -0.10 3.77 0.00 -0.81 -2.44 119.26 122.01 1q0g h ALA 87 Ca 0.20 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1q0g h ALA 87 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1q0g h ALA 87 CO -0.00 0.56 -0.36 0.00 0.00 0.00 0.00 179.25 179.45 1q0g h ALA 88 N 1.26 1.21 -0.63 0.00 0.00 -0.54 -2.48 119.26 118.08 1q0g h ALA 88 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1q0g h ALA 88 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1q0g h ALA 88 CO 0.04 0.54 0.30 0.87 0.00 0.00 0.00 179.25 180.99 1q0g h LYS 89 N 0.17 0.91 -0.35 0.00 1.57 -0.78 -2.74 116.57 115.35 1q0g h LYS 89 Ca 0.02 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1q0g h LYS 89 Cb 0.72 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1q0g h LYS 89 CO 0.05 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.67 1q0g n ALA 90 N -2.35 2.56 -2.74 3.86 0.00 -0.97 -4.89 120.51 115.99 1q0g n ALA 90 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1q0g n ALA 90 Cb 0.13 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 1q0g n ALA 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q0g s SER 91 N -0.81 0.30 0.00 0.00 0.15 -1.02 -5.01 113.70 107.30 1q0g s SER 91 Ca 0.13 -0.63 0.16 0.00 0.70 0.00 0.00 55.95 56.31 1q0g s SER 91 Cb 0.07 0.13 0.10 0.00 -1.71 0.00 0.00 66.02 64.62 1q0g s SER 91 CO 0.07 -0.39 0.99 0.35 1.20 0.00 0.00 173.24 175.46 1q0g n THR 92 N 1.18 0.00 -2.62 6.45 -2.24 -1.26 -4.87 114.28 110.92 1q0g n THR 92 Ca -0.21 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 1q0g n THR 92 Cb 0.57 1.31 -0.02 0.00 -2.10 0.00 0.00 70.33 70.09 1q0g n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q0g s ASP 93 N -1.47 6.91 0.66 3.42 -1.08 -1.26 -4.70 116.67 119.15 1q0g s ASP 93 Ca 0.18 1.06 0.33 0.00 -0.52 0.00 0.00 52.55 53.60 1q0g s ASP 93 Cb 0.14 -2.54 1.78 0.00 -1.46 0.00 0.00 42.92 40.83 1q0g s ASP 93 CO 0.24 -0.90 2.01 -0.65 0.52 0.00 0.00 175.17 176.40 1q0g h PRO 94 N 8.20 0.00 -0.20 4.34 0.11 -1.89 -0.37 132.00 142.20 1q0g h PRO 94 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 1q0g h PRO 94 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1q0g h PRO 94 CO 1.03 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.79 1q0g h ALA 95 N 1.49 1.59 -0.19 -0.75 0.00 -1.97 -0.74 119.26 118.69 1q0g h ALA 95 Ca 0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1q0g h ALA 95 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1q0g h ALA 95 CO -0.00 0.30 -0.64 1.79 0.00 0.00 0.00 179.25 180.70 1q0g h THR 96 N 0.28 1.30 -0.66 0.00 1.35 -1.46 -1.62 112.91 112.11 1q0g h THR 96 Ca 0.06 -1.88 -0.07 0.00 -0.55 0.00 0.00 66.41 63.97 1q0g h THR 96 Cb 0.25 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 1q0g h THR 96 CO 0.01 0.59 0.12 1.23 -0.25 0.00 0.00 175.52 177.22 1q0g h GLY 97 N 0.86 1.15 1.24 5.82 0.00 -1.47 -2.67 103.07 108.00 1q0g h GLY 97 Ca -0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 1q0g h GLY 97 CO 0.13 0.69 -0.02 -1.61 0.00 0.00 0.00 176.54 175.73 1q0g h GLN 98 N 1.01 0.92 -0.67 4.80 5.75 -1.01 -2.07 115.11 123.83 1q0g h GLN 98 Ca 0.20 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1q0g h GLN 98 Cb 0.42 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1q0g h GLN 98 CO 0.01 0.92 0.44 -0.22 -2.65 0.00 0.00 178.83 177.33 1q0g h LYS 99 N 0.84 0.89 -0.54 1.69 3.64 -1.04 0.14 116.57 122.19 1q0g h LYS 99 Ca 0.15 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1q0g h LYS 99 Cb 0.53 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1q0g h LYS 99 CO 0.03 0.60 0.33 0.00 -2.27 0.00 0.00 179.45 178.13 1q0g h ALA 100 N 1.24 0.68 -0.49 5.00 0.00 -1.21 -1.87 119.26 122.61 1q0g h ALA 100 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1q0g h ALA 100 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1q0g h ALA 100 CO -0.05 0.16 0.18 -0.07 0.00 0.00 0.00 179.25 179.47 1q0g h LEU 101 N 0.72 0.64 -0.56 0.00 3.38 -0.66 -0.84 115.31 118.00 1q0g h LEU 101 Ca 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1q0g h LEU 101 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1q0g h LEU 101 CO -0.04 0.59 0.13 0.44 0.09 0.00 0.00 178.44 179.65 1q0g h ASP 102 N 0.70 0.86 -0.49 -0.43 3.32 -0.07 -0.66 116.42 119.65 1q0g h ASP 102 Ca 0.17 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1q0g h ASP 102 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1q0g h ASP 102 CO -0.01 0.88 -0.08 1.88 -1.72 0.00 0.00 179.24 180.19 1q0g h TYR 103 N 0.81 1.03 -0.63 4.55 0.05 -0.92 -2.61 116.97 119.25 1q0g h TYR 103 Ca 0.18 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1q0g h TYR 103 Cb 0.36 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1q0g h TYR 103 CO 0.03 0.98 0.40 0.82 -1.05 0.00 0.00 178.16 179.34 1q0g h ILE 104 N 0.78 1.17 -0.71 -2.88 2.04 -0.90 -1.38 117.51 115.64 1q0g h ILE 104 Ca 0.13 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1q0g h ILE 104 Cb 0.62 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1q0g h ILE 104 CO 0.04 0.17 0.26 0.00 0.00 0.00 0.00 178.15 178.63 1q0g h ALA 105 N 1.57 1.13 -0.56 1.87 0.00 -0.79 0.13 119.26 122.61 1q0g h ALA 105 Ca 0.23 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1q0g h ALA 105 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1q0g h ALA 105 CO -0.05 0.62 -0.06 1.96 0.00 0.00 0.00 179.25 181.71 1q0g h GLN 106 N 1.03 1.02 -0.50 0.00 4.20 -0.96 -1.80 115.11 118.11 1q0g h GLN 106 Ca 0.24 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1q0g h GLN 106 Cb 0.22 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1q0g h GLN 106 CO -0.02 1.04 -0.14 0.82 -0.67 0.00 0.00 178.83 179.86 1q0g h ILE 107 N 0.92 1.27 -0.83 2.54 2.04 -0.79 -2.67 117.51 120.00 1q0g h ILE 107 Ca 0.15 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 1q0g h ILE 107 Cb 0.62 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1q0g h ILE 107 CO 0.04 0.45 0.36 -0.78 0.00 0.00 0.00 178.15 178.22 1q0g h ASP 108 N 0.84 1.11 -0.33 1.72 3.58 -0.54 0.12 116.42 122.92 1q0g h ASP 108 Ca 0.13 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1q0g h ASP 108 Cb 0.69 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1q0g h ASP 108 CO 0.05 0.96 0.15 0.50 -2.88 0.00 0.00 179.24 178.02 1q0g h LYS 109 N 1.19 0.48 -0.48 0.28 3.64 -1.15 -2.02 116.57 118.51 1q0g h LYS 109 Ca 0.28 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1q0g h LYS 109 Cb 0.17 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1q0g h LYS 109 CO -0.03 0.45 0.05 0.82 -2.27 0.00 0.00 179.45 178.47 1q0g h ILE 110 N 0.39 1.26 -0.22 2.00 2.04 -1.23 -2.47 117.51 119.29 1q0g h ILE 110 Ca 0.11 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1q0g h ILE 110 Cb 0.14 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1q0g h ILE 110 CO -0.01 0.35 -0.20 0.15 0.00 0.00 0.00 178.15 178.43 1q0g h PHE 111 N 0.68 -0.52 0.00 1.37 3.57 -0.48 -1.23 116.94 120.34 1q0g h PHE 111 Ca 0.14 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1q0g h PHE 111 Cb 0.44 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1q0g h PHE 111 CO 0.03 -0.28 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.05 1q0g h TRP 112 N -0.21 0.00 -0.36 0.41 4.06 -1.31 -1.78 115.95 116.76 1q0g h TRP 112 Ca 0.13 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.98 1q0g h TRP 112 Cb 0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 1q0g h TRP 112 CO -0.35 0.30 -0.18 0.93 -3.56 0.00 0.00 178.44 175.58 1q0g h GLU 113 N 0.00 0.66 0.00 0.49 5.08 -0.84 -1.93 114.58 118.04 1q0g h GLU 113 Ca -0.00 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1q0g h GLU 113 Cb 0.60 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1q0g h GLU 113 CO 0.04 0.80 -0.35 1.79 -1.00 0.00 0.00 179.01 180.30 1q0g h THR 114 N 0.59 0.69 -0.00 1.13 1.35 -0.58 -0.56 112.91 115.54 1q0g h THR 114 Ca 0.09 -1.62 -0.21 0.00 -0.55 0.00 0.00 66.41 64.12 1q0g h THR 114 Cb 0.64 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1q0g h THR 114 CO 0.04 0.34 -0.91 0.11 -0.25 0.00 0.00 175.52 174.85 1q0g h LYS 115 N 0.00 0.33 0.06 4.72 1.79 -0.93 -3.19 116.57 119.35 1q0g h LYS 115 Ca -0.00 -0.36 -0.25 0.00 -2.18 0.00 0.00 60.65 57.86 1q0g h LYS 115 Cb 1.05 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1q0g h LYS 115 CO 0.04 1.05 -1.21 -0.22 -1.08 0.00 0.00 179.45 178.04 1q0g h LYS 116 N 0.19 0.13 0.00 3.15 3.64 -1.31 -3.51 116.57 118.85 1q0g h LYS 116 Ca -0.07 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1q0g h LYS 116 Cb 1.54 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 1q0g h LYS 116 CO 0.15 1.06 0.00 0.00 -2.27 0.00 0.00 179.45 178.39