#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 0.85 -3.98 -0.06 0.00 2.03 -1.26 -4.94 116.55 109.18 1q0g n ASP 3 Ca 0.12 0.20 -0.12 0.00 0.52 0.00 0.00 54.79 55.51 1q0g n ASP 3 Cb 0.55 -2.20 -0.06 0.00 -0.72 0.00 0.00 41.12 38.69 1q0g n ASP 3 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1q0g h LEU 4 N 0.00 0.36-10.15 -2.67 5.85 -2.03 -3.46 115.31 103.20 1q0g h LEU 4 Ca -0.17 -0.36 -0.49 0.00 0.84 0.00 0.00 57.88 57.70 1q0g h LEU 4 Cb 0.53 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1q0g h LEU 4 CO 0.24 0.64 0.18 -2.16 -0.34 0.00 0.00 178.44 177.00 1q0g s PRO 5 N -4.78 3.84 0.06 5.25 0.04 -1.26 -5.13 135.00 133.02 1q0g s PRO 5 Ca -0.14 0.60 0.22 0.00 0.04 0.00 0.00 61.00 61.73 1q0g s PRO 5 Cb 0.06 -2.33 -0.13 0.00 0.04 0.00 0.00 34.50 32.14 1q0g s PRO 5 CO 0.74 -0.08 0.81 0.00 0.04 0.00 0.00 177.00 178.51 1q0g n GLY 7 N 1.28 0.80 3.31 0.00 0.00 -1.26 -4.96 105.19 104.36 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 -3.06 3.57 0.03 1.61 1.01 -1.26 -4.96 120.40 117.33 1q0g s VAL 8 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1q0g s VAL 8 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1q0g s VAL 8 CO 0.00 0.23 -0.03 -0.31 0.00 0.00 0.00 175.10 174.99 1q0g s TYR 9 N 1.46 0.34 -0.30 5.22 1.51 -1.26 -0.97 117.35 123.36 1q0g s TYR 9 Ca 0.03 -0.69 -0.10 0.00 -1.01 0.00 0.00 57.07 55.31 1q0g s TYR 9 Cb -0.16 -0.25 0.15 0.00 -0.11 0.00 0.00 41.96 41.59 1q0g s TYR 9 CO -0.01 -0.24 0.75 0.34 -1.11 0.00 0.00 175.55 175.28 1q0g s ASP 10 N -1.89 -1.00 0.20 2.29 -1.08 -1.26 -5.01 116.67 108.92 1q0g s ASP 10 Ca -0.09 1.20 0.13 0.00 -0.52 0.00 0.00 52.55 53.27 1q0g s ASP 10 Cb -0.05 2.07 0.72 0.00 -1.46 0.00 0.00 42.92 44.20 1q0g s ASP 10 CO -0.04 -0.19 1.40 -2.65 0.52 0.00 0.00 175.17 174.21 1q0g n PRO 11 N 5.32 0.09 0.16 4.34 -0.02 -1.26 -2.11 135.00 141.51 1q0g n PRO 11 Ca -0.09 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1q0g n PRO 11 Cb 0.50 -1.80 0.67 0.00 -0.02 0.00 0.00 33.50 32.86 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 1.96 2.19 -0.37 3.55 0.00 -1.99 -1.42 119.26 123.17 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 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1q0g h ALA 12 CO 0.00 -0.27 0.20 1.96 0.00 0.00 0.00 179.25 181.14 1q0g h GLN 13 N 0.00 0.52 -0.35 0.00 4.20 -1.86 -0.28 115.11 117.33 1q0g h GLN 13 Ca 0.10 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1q0g h GLN 13 Cb 0.42 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1q0g h GLN 13 CO -0.00 0.43 -0.05 0.00 -0.67 0.00 0.00 178.83 178.54 1q0g h ALA 14 N 1.06 0.47 -0.29 3.87 0.00 -1.53 -3.09 119.26 119.74 1q0g h ALA 14 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1q0g h ALA 14 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q0g h ALA 14 CO -0.02 0.28 0.15 -0.09 0.00 0.00 0.00 179.25 179.57 1q0g h ARG 15 N 0.44 0.30 -0.88 0.00 2.43 -1.04 -1.32 114.38 114.31 1q0g h ARG 15 Ca 0.09 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1q0g h ARG 15 Cb 0.53 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1q0g h ARG 15 CO 0.03 0.20 0.58 0.82 -1.51 0.00 0.00 179.97 180.08 1q0g h ILE 16 N 0.31 1.18 -0.42 1.20 2.04 -1.07 0.19 117.51 120.94 1q0g h ILE 16 Ca 0.12 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 1q0g h ILE 16 Cb 0.04 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1q0g h ILE 16 CO -0.08 0.21 -0.24 -0.33 0.00 0.00 0.00 178.15 177.71 1q0g h GLU 17 N 1.14 0.87 -0.10 2.37 4.39 -1.42 -2.25 114.58 119.58 1q0g h GLU 17 Ca 0.34 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1q0g h GLU 17 Cb -0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1q0g h GLU 17 CO -0.10 1.01 -0.33 0.00 -1.16 0.00 0.00 179.01 178.44 1q0g h ALA 18 N 0.98 1.25 -0.42 3.43 0.00 -0.57 -1.70 119.26 122.24 1q0g h ALA 18 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1q0g h ALA 18 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1q0g h ALA 18 CO 0.06 0.51 -0.13 0.93 0.00 0.00 0.00 179.25 180.63 1q0g h GLU 19 N 0.18 0.76 -0.63 0.00 4.39 -0.32 -2.06 114.58 116.89 1q0g h GLU 19 Ca 0.02 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.41 1q0g h GLU 19 Cb 0.68 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1q0g h GLU 19 CO 0.05 0.85 0.16 0.77 -1.16 0.00 0.00 179.01 179.68 1q0g h SER 20 N 0.68 0.95 -0.07 1.42 0.02 -0.80 -0.26 113.55 115.50 1q0g h SER 20 Ca 0.11 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1q0g h SER 20 Cb 0.60 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1q0g h SER 20 CO 0.04 0.93 -0.08 0.58 -1.14 0.00 0.00 176.83 177.16 1q0g h VAL 21 N 0.92 0.78 -0.59 2.27 2.07 -0.94 0.10 116.25 120.86 1q0g h VAL 21 Ca 0.20 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.64 1q0g h VAL 21 Cb 0.35 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1q0g h VAL 21 CO 0.00 0.00 0.08 0.50 0.02 0.00 0.00 177.57 178.17 1q0g h LYS 22 N -0.11 1.00 -0.86 1.57 3.64 -1.24 -1.87 116.57 118.70 1q0g h LYS 22 Ca 0.05 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1q0g h LYS 22 Cb 0.18 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1q0g h LYS 22 CO -0.13 0.95 0.50 0.00 -2.27 0.00 0.00 179.45 178.50 1q0g h ALA 23 N 1.01 1.27 -0.50 5.00 0.00 -0.68 -0.30 119.26 125.06 1q0g h ALA 23 Ca 0.18 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1q0g h ALA 23 Cb 0.45 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1q0g h ALA 23 CO 0.02 0.62 0.00 0.82 0.00 0.00 0.00 179.25 180.71 1q0g h ILE 24 N 1.19 1.26 -0.72 0.00 2.04 -0.55 -1.66 117.51 119.07 1q0g h ILE 24 Ca 0.31 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1q0g h ILE 24 Cb -0.02 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1q0g h ILE 24 CO -0.05 0.38 0.43 1.56 0.00 0.00 0.00 178.15 180.46 1q0g h GLN 25 N 0.74 0.99 -0.75 2.37 4.20 -0.68 -0.16 115.11 121.81 1q0g h GLN 25 Ca 0.14 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1q0g h GLN 25 Cb 0.51 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1q0g h GLN 25 CO 0.02 0.71 0.48 0.93 -0.67 0.00 0.00 178.83 180.31 1q0g h GLU 26 N 0.99 1.00 -0.10 1.46 4.39 -0.81 -2.46 114.58 119.05 1q0g h GLU 26 Ca 0.26 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 1q0g h GLU 26 Cb -0.01 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 1q0g h GLU 26 CO -0.05 0.68 -0.32 0.87 -1.16 0.00 0.00 179.01 179.04 1q0g h LYS 27 N 1.02 0.19 0.00 2.33 1.57 -0.59 -2.86 116.57 118.23 1q0g h LYS 27 Ca 0.27 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1q0g h LYS 27 Cb -0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1q0g h LYS 27 CO -0.06 0.49 -0.01 0.52 -0.57 0.00 0.00 179.45 179.82 1q0g h MET 28 N 0.17 0.00 0.00 3.15 2.86 -0.55 -1.34 114.93 119.22 1q0g h MET 28 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1q0g h MET 28 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1q0g h MET 28 CO 0.05 0.01 -0.26 0.00 1.06 0.00 0.00 176.91 177.77 1q0g n ALA 29 N -2.12 2.73 0.89 6.32 0.00 -1.08 -3.85 120.51 123.39 1q0g n ALA 29 Ca -0.02 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1q0g n ALA 29 Cb 0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1q0g n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q0g n ALA 30 N -1.64 3.55 -3.52 0.00 0.00 -0.51 -4.88 120.51 113.51 1q0g n ALA 30 Ca 0.05 -0.59 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 1q0g n ALA 30 Cb 0.38 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.32 1.24 -0.01 0.00 3.84 -1.20 -5.02 114.94 111.47 1q0g s ASN 31 Ca 0.15 -0.12 0.13 0.00 0.21 0.00 0.00 52.86 53.24 1q0g s ASN 31 Cb 0.16 0.40 0.41 0.00 -0.55 0.00 0.00 41.25 41.67 1q0g s ASN 31 CO 0.54 -0.31 1.32 -0.90 -2.79 0.00 0.00 177.10 174.96 1q0g n ASP 32 N 5.32 2.54 -4.74 -4.21 5.68 -1.26 -4.69 116.55 115.19 1q0g n ASP 32 Ca -0.05 -2.05 -0.42 0.00 -0.50 0.00 0.00 54.79 51.77 1q0g n ASP 32 Cb 0.50 -0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.77 3.97 -0.09 -1.12 2.03 -1.26 -4.88 116.55 115.97 1q0g n ASP 33 Ca 0.15 1.12 -0.07 0.00 0.52 0.00 0.00 54.79 56.51 1q0g n ASP 33 Cb 0.42 -1.60 0.01 0.00 -0.72 0.00 0.00 41.12 39.23 1q0g n ASP 33 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1q0g h LEU 34 N 5.48 0.14 -1.02 -2.67 5.85 -1.99 -0.94 115.31 120.17 1q0g h LEU 34 Ca -0.46 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 1q0g h LEU 34 Cb 1.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1q0g h LEU 34 CO 0.85 0.12 -0.13 0.45 -0.34 0.00 0.00 178.44 179.39 1q0g h HIS 35 N 0.27 0.61 -0.45 1.25 3.86 -1.99 -0.46 115.15 118.23 1q0g h HIS 35 Ca 0.14 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1q0g h HIS 35 Cb 0.11 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1q0g h HIS 35 CO -0.13 0.67 -0.03 0.35 0.86 0.00 0.00 177.93 179.65 1q0g h PHE 36 N 0.52 0.89 -0.98 2.45 3.57 -1.84 -1.32 116.94 120.22 1q0g h PHE 36 Ca 0.09 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1q0g h PHE 36 Cb 0.52 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1q0g h PHE 36 CO 0.02 0.87 0.64 1.96 -2.23 0.00 0.00 178.31 179.57 1q0g h GLN 37 N 0.65 1.29 0.16 1.11 1.08 -0.72 0.15 115.11 118.84 1q0g h GLN 37 Ca 0.12 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1q0g h GLN 37 Cb 0.54 -0.29 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1q0g h GLN 37 CO 0.03 0.86 -0.08 0.82 -0.95 0.00 0.00 178.83 179.51 1q0g h ILE 38 N 1.33 0.94 -0.66 2.54 2.04 -0.83 -1.93 117.51 120.94 1q0g h ILE 38 Ca 0.36 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1q0g h ILE 38 Cb -0.14 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1q0g h ILE 38 CO -0.08 0.12 0.43 0.03 0.00 0.00 0.00 178.15 178.65 1q0g h ARG 39 N -0.47 0.87 -0.85 2.37 3.08 -0.98 -0.37 114.38 118.02 1q0g h ARG 39 Ca -0.02 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1q0g h ARG 39 Cb 0.36 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1q0g h ARG 39 CO 0.04 0.59 0.56 0.00 -1.07 0.00 0.00 179.97 180.09 1q0g h ALA 40 N 1.23 1.10 -0.20 0.04 0.00 -0.69 -0.15 119.26 120.58 1q0g h ALA 40 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1q0g h ALA 40 Cb -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1q0g h ALA 40 CO -0.05 0.46 -0.02 1.15 0.00 0.00 0.00 179.25 180.79 1q0g h THR 41 N 1.13 1.27 -0.15 0.00 2.02 -0.85 -0.20 112.91 116.14 1q0g h THR 41 Ca 0.32 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.57 1q0g h THR 41 Cb -0.10 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1q0g h THR 41 CO -0.08 0.29 -0.02 0.58 0.37 0.00 0.00 175.52 176.66 1q0g h VAL 42 N 0.11 0.87 -0.44 3.16 2.07 -0.74 -1.56 116.25 119.73 1q0g h VAL 42 Ca 0.05 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 1q0g h VAL 42 Cb 0.45 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1q0g h VAL 42 CO 0.02 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.82 1q0g h ILE 43 N 0.02 1.27 -0.96 4.57 2.04 -1.02 -2.67 117.51 120.76 1q0g h ILE 43 Ca 0.07 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1q0g h ILE 43 Cb 0.10 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1q0g h ILE 43 CO -0.13 0.45 0.63 0.50 0.00 0.00 0.00 178.15 179.60 1q0g h LYS 44 N 0.74 1.21 -0.57 2.37 3.64 -0.87 -0.73 116.57 122.36 1q0g h LYS 44 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1q0g h LYS 44 Cb 0.75 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1q0g h LYS 44 CO 0.06 0.80 0.37 1.49 -2.27 0.00 0.00 179.45 179.90 1q0g h GLU 45 N 1.24 0.75 -0.27 1.90 4.57 -1.08 -0.86 114.58 120.83 1q0g h GLU 45 Ca 0.38 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 1q0g h GLU 45 Cb -0.04 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1q0g h GLU 45 CO -0.11 0.50 0.04 1.96 -1.18 0.00 0.00 179.01 180.22 1q0g h GLN 46 N 0.77 0.45 -0.27 1.92 4.20 -1.01 -2.02 115.11 119.16 1q0g h GLN 46 Ca 0.21 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1q0g h GLN 46 Cb -0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1q0g h GLN 46 CO -0.04 0.58 -0.32 0.00 -0.67 0.00 0.00 178.83 178.37 1q0g h ARG 47 N 0.26 0.57 -0.41 1.46 2.47 -0.98 -1.93 114.38 115.82 1q0g h ARG 47 Ca 0.08 -0.25 -0.09 0.00 -1.26 0.00 0.00 59.98 58.45 1q0g h ARG 47 Cb 0.35 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1q0g h ARG 47 CO 0.01 0.82 -0.13 0.00 0.56 0.00 0.00 179.97 181.23 1q0g h ALA 48 N 1.16 1.01 -0.61 0.04 0.00 -1.12 -1.04 119.26 118.70 1q0g h ALA 48 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1q0g h ALA 48 Cb 0.79 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1q0g h ALA 48 CO 0.06 0.59 0.10 1.49 0.00 0.00 0.00 179.25 181.50 1q0g h GLU 49 N 0.67 1.01 -0.67 0.00 4.57 -1.05 -1.04 114.58 118.06 1q0g h GLU 49 Ca 0.11 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1q0g h GLU 49 Cb 0.60 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1q0g h GLU 49 CO 0.04 0.94 0.25 -0.07 -1.18 0.00 0.00 179.01 178.99 1q0g h LEU 50 N 0.91 0.94 -0.83 1.64 3.38 -1.02 -0.95 115.31 119.38 1q0g h LEU 50 Ca 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1q0g h LEU 50 Cb 0.42 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1q0g h LEU 50 CO 0.01 0.87 0.49 0.00 0.09 0.00 0.00 178.44 179.90 1q0g h ALA 51 N 1.10 1.06 -0.55 1.53 0.00 -0.82 -1.04 119.26 120.54 1q0g h ALA 51 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1q0g h ALA 51 Cb 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1q0g h ALA 51 CO -0.01 0.53 0.26 0.87 0.00 0.00 0.00 179.25 180.90 1q0g h LYS 52 N 1.14 0.80 -0.45 0.00 1.57 -0.79 -1.98 116.57 116.87 1q0g h LYS 52 Ca 0.30 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1q0g h LYS 52 Cb -0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1q0g h LYS 52 CO -0.05 0.66 0.30 1.25 -0.57 0.00 0.00 179.45 181.03 1q0g h HIS 53 N 0.75 0.57 -0.88 -1.35 2.76 -0.65 0.22 115.15 116.56 1q0g h HIS 53 Ca 0.19 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1q0g h HIS 53 Cb 0.12 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.85 1q0g h HIS 53 CO -0.00 0.36 0.55 0.45 -1.30 0.00 0.00 177.93 177.98 1q0g h HIS 54 N 0.61 1.14 -0.40 5.26 3.86 -0.93 -0.52 115.15 124.17 1q0g h HIS 54 Ca 0.16 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.26 1q0g h HIS 54 Cb -0.07 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.01 1q0g h HIS 54 CO -0.04 0.75 -0.23 -0.07 0.86 0.00 0.00 177.93 179.20 1q0g h LEU 55 N 1.20 0.89 -0.95 2.43 3.38 -1.02 -2.41 115.31 118.84 1q0g h LEU 55 Ca 0.32 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1q0g h LEU 55 Cb -0.08 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 1q0g h LEU 55 CO -0.06 1.12 0.61 0.44 0.09 0.00 0.00 178.44 180.63 1q0g h ASP 56 N 0.67 0.99 -0.56 -0.43 3.32 -0.49 -1.35 116.42 118.57 1q0g h ASP 56 Ca 0.09 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1q0g h ASP 56 Cb 0.79 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1q0g h ASP 56 CO 0.07 0.65 0.21 0.58 -1.72 0.00 0.00 179.24 179.02 1q0g h VAL 57 N 1.14 1.23 -0.52 -1.35 2.07 -0.90 0.19 116.25 118.10 1q0g h VAL 57 Ca 0.40 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1q0g h VAL 57 Cb 0.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1q0g h VAL 57 CO -0.15 0.28 0.29 -0.07 0.02 0.00 0.00 177.57 177.94 1q0g h LEU 58 N 0.78 0.65 -0.23 2.57 3.38 -0.91 0.17 115.31 121.72 1q0g h LEU 58 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1q0g h LEU 58 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1q0g h LEU 58 CO -0.01 0.55 0.02 -0.25 0.09 0.00 0.00 178.44 178.84 1q0g h TRP 59 N 0.70 0.42 0.11 1.13 7.01 -0.99 -0.01 115.95 124.31 1q0g h TRP 59 Ca 0.18 -0.06 -0.27 0.00 2.11 0.00 0.00 58.89 60.85 1q0g h TRP 59 Cb 0.04 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1q0g h TRP 59 CO -0.02 0.54 -1.29 0.66 -2.79 0.00 0.00 178.44 175.54 1q0g h SER 60 N 0.18 0.36 0.00 2.65 4.64 -0.56 -3.39 113.55 117.43 1q0g h SER 60 Ca 0.07 -0.41 -0.37 0.00 -0.47 0.00 0.00 61.79 60.61 1q0g h SER 60 Cb 0.35 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1q0g h SER 60 CO 0.01 1.33 -2.23 0.47 -0.87 0.00 0.00 176.83 175.54 1q0g n ASP 61 N -3.48 1.62 0.10 4.97 9.92 0.58 -4.83 116.55 125.41 1q0g n ASP 61 Ca -0.09 0.24 -0.08 0.00 -0.53 0.00 0.00 54.79 54.33 1q0g n ASP 61 Cb 1.02 -0.62 -0.05 0.00 -0.64 0.00 0.00 41.12 40.83 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 -0.73 -0.31 -3.10 1.24 3.20 -1.28 -3.45 116.97 112.55 1q0g h TYR 62 Ca -0.55 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.78 1q0g h TYR 62 Cb 1.51 0.10 0.04 0.00 1.54 0.00 0.00 36.73 39.92 1q0g h TYR 62 CO -0.06 -0.05 0.78 -0.06 -1.64 0.00 0.00 178.16 177.13 1q0g s PHE 63 N -3.01 3.12 0.42 -3.82 0.08 -0.09 -5.02 117.98 109.67 1q0g s PHE 63 Ca -0.08 0.90 0.07 0.00 0.12 0.00 0.00 56.93 57.94 1q0g s PHE 63 Cb 0.00 -3.79 -0.06 0.00 -0.57 0.00 0.00 43.02 38.61 1q0g s PHE 63 CO 0.29 -2.74 0.12 0.15 -0.10 0.00 0.00 175.22 172.94 1q0g s LYS 64 N 0.55 2.14 0.27 0.44 -0.14 -1.26 -4.79 119.74 116.95 1q0g s LYS 64 Ca 0.64 -1.97 -0.01 0.00 -1.36 0.00 0.00 55.97 53.28 1q0g s LYS 64 Cb -0.40 -1.85 0.62 0.00 -1.68 0.00 0.00 37.83 34.51 1q0g s LYS 64 CO 0.35 -0.13 1.66 -1.35 -0.76 0.00 0.00 175.35 175.12 1q0g h PRO 65 N 1.51 0.22 -0.61 -1.68 0.11 -2.00 0.20 132.00 129.75 1q0g h PRO 65 Ca -0.43 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1q0g h PRO 65 Cb 1.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1q0g h PRO 65 CO 0.73 0.15 0.41 -1.35 -0.21 0.00 0.00 178.00 177.73 1q0g h PRO 66 N 0.23 0.63 -0.36 1.05 0.11 -1.99 -1.65 132.00 130.02 1q0g h PRO 66 Ca 0.50 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.47 1q0g h PRO 66 Cb 0.96 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1q0g h PRO 66 CO -0.61 0.42 -0.18 0.45 -0.21 0.00 0.00 178.00 177.86 1q0g h HIS 67 N 0.65 0.87 0.00 0.65 3.86 -1.36 -1.05 115.15 118.77 1q0g h HIS 67 Ca 0.26 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1q0g h HIS 67 Cb 0.20 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1q0g h HIS 67 CO -0.00 0.95 -0.17 0.74 0.86 0.00 0.00 177.93 180.31 1q0g h PHE 68 N 0.54 0.00 0.07 2.45 0.04 -1.02 0.46 116.94 119.48 1q0g h PHE 68 Ca 0.08 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.68 1q0g h PHE 68 Cb 0.73 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.90 1q0g h PHE 68 CO 0.06 0.17 -0.69 1.49 -0.60 0.00 0.00 178.31 178.74 1q0g h GLU 69 N 0.00 0.34 -0.12 1.51 4.57 -1.07 -3.00 114.58 116.81 1q0g h GLU 69 Ca -0.00 -0.47 -0.09 0.00 -1.18 0.00 0.00 59.36 57.62 1q0g h GLU 69 Cb 0.56 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1q0g h GLU 69 CO 0.02 1.17 -0.35 0.77 -1.18 0.00 0.00 179.01 179.44 1q0g h SER 70 N -0.26 0.24 -2.91 1.04 0.02 -0.90 -3.34 113.55 107.44 1q0g h SER 70 Ca -0.11 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.15 1q0g h SER 70 Cb 1.47 -0.06 -0.41 0.00 0.14 0.00 0.00 62.40 63.53 1q0g h SER 70 CO 0.13 0.57 -0.68 -0.31 -1.14 0.00 0.00 176.83 175.40 1q0g s TYR 71 N -4.28 2.89 -0.67 3.45 2.02 0.13 -4.95 117.35 115.94 1q0g s TYR 71 Ca -0.05 -3.06 0.09 0.00 -0.37 0.00 0.00 57.07 53.68 1q0g s TYR 71 Cb 0.14 -2.22 0.49 0.00 -0.40 0.00 0.00 41.96 39.97 1q0g s TYR 71 CO 0.76 -0.62 1.28 -0.35 -1.57 0.00 0.00 175.55 175.05 1q0g n PRO 72 N 2.21 0.06 0.00 -1.71 -0.04 -1.13 -1.14 135.00 133.25 1q0g n PRO 72 Ca 0.22 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.35 1q0g n PRO 72 Cb 0.38 -1.69 0.16 0.00 -0.04 0.00 0.00 33.50 32.31 1q0g n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1q0g n GLU 73 N -1.81 0.78 -0.09 0.54 0.00 -1.26 -4.52 120.64 114.27 1q0g n GLU 73 Ca -0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 57.16 56.50 1q0g n GLU 73 Cb 0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 29.96 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 1.38 0.30 -0.24 -1.84 5.85 -1.46 -0.88 115.31 118.43 1q0g h LEU 74 Ca 0.00 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1q0g h LEU 74 Cb 0.60 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1q0g h LEU 74 CO 0.00 0.22 -0.06 0.45 -0.34 0.00 0.00 178.44 178.71 1q0g h HIS 75 N 0.38 -0.13 -0.74 1.25 3.86 -1.80 -1.00 115.15 116.98 1q0g h HIS 75 Ca 0.12 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1q0g h HIS 75 Cb -0.01 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1q0g h HIS 75 CO -0.07 -0.11 0.41 1.15 0.86 0.00 0.00 177.93 180.17 1q0g h THR 76 N -0.00 1.22 -0.03 2.45 2.02 -1.82 -1.62 112.91 115.13 1q0g h THR 76 Ca 0.12 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1q0g h THR 76 Cb 0.18 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1q0g h THR 76 CO -0.25 0.25 -0.01 0.25 0.37 0.00 0.00 175.52 176.12 1q0g h LEU 77 N 1.01 -0.05 -0.67 2.58 5.85 -0.55 0.10 115.31 123.59 1q0g h LEU 77 Ca 0.26 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 1q0g h LEU 77 Cb 0.03 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1q0g h LEU 77 CO -0.04 -0.02 0.10 0.58 -0.34 0.00 0.00 178.44 178.72 1q0g h VAL 78 N -0.01 1.26 -0.75 1.05 2.07 -1.10 -0.73 116.25 118.05 1q0g h VAL 78 Ca 0.02 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1q0g h VAL 78 Cb 0.04 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1q0g h VAL 78 CO -0.04 0.39 0.35 -1.13 0.02 0.00 0.00 177.57 177.16 1q0g h ASN 79 N 1.03 1.00 0.13 0.57 -0.73 -1.00 -0.81 115.58 115.76 1q0g h ASN 79 Ca 0.20 -0.14 -0.11 0.00 1.87 0.00 0.00 56.30 58.12 1q0g h ASN 79 Cb 0.45 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1q0g h ASN 79 CO 0.01 0.86 -0.38 -0.33 -0.37 0.00 0.00 177.43 177.22 1q0g h GLU 80 N 1.06 0.35 -0.16 6.67 5.08 -0.58 -1.47 114.58 125.53 1q0g h GLU 80 Ca 0.26 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1q0g h GLU 80 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1q0g h GLU 80 CO -0.03 0.68 0.05 0.00 -1.00 0.00 0.00 179.01 178.71 1q0g h ALA 81 N 1.30 0.21 -0.22 3.43 0.00 -0.41 0.78 119.26 124.36 1q0g h ALA 81 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1q0g h ALA 81 Cb 0.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1q0g h ALA 81 CO 0.06 -0.16 -0.31 -0.39 0.00 0.00 0.00 179.25 178.45 1q0g h VAL 82 N 0.08 1.28 -0.19 0.00 -1.51 -1.08 -2.02 116.25 112.81 1q0g h VAL 82 Ca 0.05 -1.36 -0.10 0.00 -1.23 0.00 0.00 66.70 64.06 1q0g h VAL 82 Cb 0.23 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1q0g h VAL 82 CO -0.00 0.43 -0.30 0.11 -1.23 0.00 0.00 177.57 176.57 1q0g h LYS 83 N 0.38 0.37 -0.29 5.19 1.57 -1.07 -1.79 116.57 120.92 1q0g h LYS 83 Ca 0.05 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1q0g h LYS 83 Cb 0.73 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1q0g h LYS 83 CO 0.06 0.64 -0.12 0.00 -0.57 0.00 0.00 179.45 179.46 1q0g h ALA 84 N 1.36 1.26 -0.20 3.86 0.00 -0.28 -1.38 119.26 123.89 1q0g h ALA 84 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1q0g h ALA 84 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1q0g h ALA 84 CO 0.05 0.49 -0.50 -0.07 0.00 0.00 0.00 179.25 179.22 1q0g h LEU 85 N 0.45 0.59 -0.86 0.00 3.38 -0.76 -1.11 115.31 117.00 1q0g h LEU 85 Ca 0.09 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1q0g h LEU 85 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1q0g h LEU 85 CO 0.03 0.99 0.16 0.28 0.09 0.00 0.00 178.44 179.99 1q0g h SER 86 N 0.42 0.95 0.01 -0.43 0.02 -0.86 -1.34 113.55 112.33 1q0g h SER 86 Ca 0.02 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1q0g h SER 86 Cb 1.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1q0g h SER 86 CO 0.09 0.91 -0.25 0.00 -1.14 0.00 0.00 176.83 176.45 1q0g h ALA 87 N 1.21 1.19 -0.23 3.77 0.00 -0.94 -2.60 119.26 121.65 1q0g h ALA 87 Ca 0.21 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1q0g h ALA 87 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1q0g h ALA 87 CO -0.00 0.52 -0.40 0.00 0.00 0.00 0.00 179.25 179.37 1q0g h ALA 88 N 1.39 0.88 -0.84 0.00 0.00 -0.59 -2.73 119.26 117.37 1q0g h ALA 88 Ca 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1q0g h ALA 88 Cb 0.63 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1q0g h ALA 88 CO 0.05 0.64 0.55 0.87 0.00 0.00 0.00 179.25 181.35 1q0g h LYS 89 N 0.44 1.05 -0.21 0.00 1.57 -0.89 -2.41 116.57 116.12 1q0g h LYS 89 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1q0g h LYS 89 Cb 0.89 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1q0g h LYS 89 CO 0.08 0.70 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1q0g n ALA 90 N -2.34 2.49 -2.48 3.86 0.00 -1.05 -4.87 120.51 116.12 1q0g n ALA 90 Ca 0.10 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1q0g n ALA 90 Cb 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.95 0.39 0.00 0.00 0.15 -0.91 -5.01 113.70 107.37 1q0g s SER 91 Ca 0.11 -0.78 0.16 0.00 0.70 0.00 0.00 55.95 56.14 1q0g s SER 91 Cb 0.06 0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 1q0g s SER 91 CO 0.07 -0.46 0.94 0.35 1.20 0.00 0.00 173.24 175.33 1q0g n THR 92 N 0.77 0.00 -2.54 6.45 -2.24 -1.26 -4.88 114.28 110.58 1q0g n THR 92 Ca -0.18 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1q0g n THR 92 Cb 0.58 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 70.07 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 -1.55 6.84 0.66 3.42 -1.08 -1.26 -4.71 116.67 118.99 1q0g s ASP 93 Ca 0.16 1.18 0.31 0.00 -0.52 0.00 0.00 52.55 53.68 1q0g s ASP 93 Cb 0.13 -2.54 1.69 0.00 -1.46 0.00 0.00 42.92 40.74 1q0g s ASP 93 CO 0.28 -0.94 1.96 -0.65 0.52 0.00 0.00 175.17 176.33 1q0g h PRO 94 N 8.54 0.00 -0.18 4.34 0.11 -1.90 -0.17 132.00 142.74 1q0g h PRO 94 Ca -0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 1q0g h PRO 94 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1q0g h PRO 94 CO 1.03 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.74 1q0g h ALA 95 N 1.39 1.53 -0.35 -0.75 0.00 -1.97 -0.69 119.26 118.42 1q0g h ALA 95 Ca 0.01 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1q0g h ALA 95 Cb 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q0g h ALA 95 CO -0.00 0.34 -0.43 1.79 0.00 0.00 0.00 179.25 180.95 1q0g h THR 96 N 0.27 1.27 -0.67 0.00 1.35 -1.41 -1.05 112.91 112.68 1q0g h THR 96 Ca 0.06 -1.61 -0.07 0.00 -0.55 0.00 0.00 66.41 64.24 1q0g h THR 96 Cb 0.32 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 1q0g h THR 96 CO 0.02 0.53 0.12 1.23 -0.25 0.00 0.00 175.52 177.17 1q0g h GLY 97 N 0.77 1.17 0.99 5.82 0.00 -1.56 -2.70 103.07 107.58 1q0g h GLY 97 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1q0g h GLY 97 CO 0.10 0.71 0.33 -1.61 0.00 0.00 0.00 176.54 176.07 1q0g h GLN 98 N 1.02 0.86 -0.87 4.80 5.75 -0.91 -1.77 115.11 124.00 1q0g h GLN 98 Ca 0.21 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1q0g h GLN 98 Cb 0.41 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.75 1q0g h GLN 98 CO 0.01 0.66 0.57 -0.22 -2.65 0.00 0.00 178.83 177.20 1q0g h LYS 99 N 0.83 1.11 -0.40 1.69 3.64 -0.95 -0.12 116.57 122.37 1q0g h LYS 99 Ca 0.21 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1q0g h LYS 99 Cb 0.06 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1q0g h LYS 99 CO -0.03 0.73 0.18 0.00 -2.27 0.00 0.00 179.45 178.06 1q0g h ALA 100 N 1.34 0.52 -0.80 5.00 0.00 -1.16 -2.33 119.26 121.82 1q0g h ALA 100 Ca 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1q0g h ALA 100 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1q0g h ALA 100 CO -0.09 0.09 0.43 -0.07 0.00 0.00 0.00 179.25 179.62 1q0g h LEU 101 N 0.50 0.99 -0.72 0.00 3.38 -0.67 -0.96 115.31 117.84 1q0g h LEU 101 Ca 0.14 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1q0g h LEU 101 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1q0g h LEU 101 CO -0.01 0.80 -0.06 0.44 0.09 0.00 0.00 178.44 179.69 1q0g h ASP 102 N 1.12 0.90 -0.45 -0.43 3.32 -0.77 -0.79 116.42 119.32 1q0g h ASP 102 Ca 0.28 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1q0g h ASP 102 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1q0g h ASP 102 CO -0.05 1.00 -0.25 1.88 -1.72 0.00 0.00 179.24 180.11 1q0g h TYR 103 N 0.83 1.11 -0.81 4.55 0.05 -1.04 -2.67 116.97 119.00 1q0g h TYR 103 Ca 0.14 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 1q0g h TYR 103 Cb 0.58 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1q0g h TYR 103 CO 0.04 1.10 0.45 0.82 -1.05 0.00 0.00 178.16 179.52 1q0g h ILE 104 N 0.79 1.23 -0.32 -2.88 2.04 -0.92 -1.53 117.51 115.94 1q0g h ILE 104 Ca 0.10 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1q0g h ILE 104 Cb 0.83 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1q0g h ILE 104 CO 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 178.15 178.46 1q0g h ALA 105 N 1.37 1.38 -0.49 1.87 0.00 -0.97 0.11 119.26 122.53 1q0g h ALA 105 Ca 0.29 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1q0g h ALA 105 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1q0g h ALA 105 CO -0.05 0.43 -0.20 1.96 0.00 0.00 0.00 179.25 181.40 1q0g h GLN 106 N 0.47 0.98 -0.44 0.00 4.20 -0.99 -2.03 115.11 117.30 1q0g h GLN 106 Ca 0.10 -0.40 -0.12 0.00 0.06 0.00 0.00 58.65 58.29 1q0g h GLN 106 Cb 0.34 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1q0g h GLN 106 CO 0.01 1.08 -0.20 0.82 -0.67 0.00 0.00 178.83 179.87 1q0g h ILE 107 N 0.85 1.27 -0.62 2.54 2.04 -0.68 -2.60 117.51 120.31 1q0g h ILE 107 Ca 0.11 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1q0g h ILE 107 Cb 0.77 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1q0g h ILE 107 CO 0.06 0.45 0.39 -0.78 0.00 0.00 0.00 178.15 178.27 1q0g h ASP 108 N 0.77 0.74 -0.49 1.72 3.58 -0.62 0.11 116.42 122.23 1q0g h ASP 108 Ca 0.11 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1q0g h ASP 108 Cb 0.73 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1q0g h ASP 108 CO 0.06 0.57 0.28 0.50 -2.88 0.00 0.00 179.24 177.77 1q0g h LYS 109 N 0.84 0.67 -0.48 0.28 3.64 -1.18 -1.85 116.57 118.50 1q0g h LYS 109 Ca 0.23 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1q0g h LYS 109 Cb -0.05 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1q0g h LYS 109 CO -0.04 0.51 -0.06 0.82 -2.27 0.00 0.00 179.45 178.40 1q0g h ILE 110 N 0.65 1.27 -0.07 2.00 2.04 -1.14 -2.41 117.51 119.86 1q0g h ILE 110 Ca 0.17 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.90 1q0g h ILE 110 Cb 0.02 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1q0g h ILE 110 CO -0.03 0.41 -0.27 0.15 0.00 0.00 0.00 178.15 178.41 1q0g h PHE 111 N 0.75 -0.73 0.00 1.37 3.57 -0.43 -1.33 116.94 120.15 1q0g h PHE 111 Ca 0.13 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1q0g h PHE 111 Cb 0.60 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1q0g h PHE 111 CO 0.04 -0.36 -0.22 -1.49 -2.23 0.00 0.00 178.31 174.06 1q0g h TRP 112 N -0.37 0.00 -0.51 0.41 4.06 -1.31 -1.97 115.95 116.25 1q0g h TRP 112 Ca 0.08 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.92 1q0g h TRP 112 Cb 0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1q0g h TRP 112 CO -0.34 0.22 -0.12 0.93 -3.56 0.00 0.00 178.44 175.57 1q0g h GLU 113 N 0.00 0.99 0.00 0.49 5.08 -0.82 0.20 114.58 120.51 1q0g h GLU 113 Ca -0.00 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1q0g h GLU 113 Cb 0.49 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1q0g h GLU 113 CO 0.03 1.05 -0.07 1.79 -1.00 0.00 0.00 179.01 180.82 1q0g h THR 114 N 0.85 0.16 0.16 1.13 1.35 -0.66 -2.70 112.91 113.20 1q0g h THR 114 Ca 0.13 -0.74 -0.27 0.00 -0.55 0.00 0.00 66.41 64.98 1q0g h THR 114 Cb 0.69 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1q0g h THR 114 CO 0.05 0.06 -1.29 0.11 -0.25 0.00 0.00 175.52 174.21 1q0g h LYS 115 N 0.00 0.34 -0.50 4.72 1.79 -0.87 -3.29 116.57 118.75 1q0g h LYS 115 Ca -0.00 -0.57 0.05 0.00 -2.18 0.00 0.00 60.65 57.94 1q0g h LYS 115 Cb 0.63 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 1q0g h LYS 115 CO 0.01 1.27 0.34 1.57 -1.08 0.00 0.00 179.45 181.56 1q0g h LYS 116 N -0.19 0.48 0.00 3.15 2.10 -0.51 -3.51 116.57 118.10 1q0g h LYS 116 Ca -0.25 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1q0g h LYS 116 Cb 1.84 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 1q0g h LYS 116 CO 0.14 0.32 0.00 0.00 -2.00 0.00 0.00 179.45 177.91