#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 1.35 -4.08 -0.04 0.00 -0.08 -1.26 -4.95 116.55 107.49 1q0g n ASP 3 Ca 0.15 0.20 -0.12 0.00 -1.51 0.00 0.00 54.79 53.50 1q0g n ASP 3 Cb 0.59 -2.30 -0.07 0.00 2.34 0.00 0.00 41.12 41.67 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 0.21-10.16 -2.67 5.85 -2.03 -3.47 115.31 103.05 1q0g h LEU 4 Ca -0.17 -0.40 -0.48 0.00 0.84 0.00 0.00 57.88 57.68 1q0g h LEU 4 Cb 0.57 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1q0g h LEU 4 CO 0.24 0.56 0.26 -2.16 -0.34 0.00 0.00 178.44 177.00 1q0g s PRO 5 N -4.63 3.91 -0.02 5.25 0.04 -1.26 -5.13 135.00 133.16 1q0g s PRO 5 Ca -0.15 0.76 0.22 0.00 0.04 0.00 0.00 61.00 61.87 1q0g s PRO 5 Cb 0.04 -2.25 -0.31 0.00 0.04 0.00 0.00 34.50 32.02 1q0g s PRO 5 CO 0.71 -0.14 0.60 0.00 0.04 0.00 0.00 177.00 178.21 1q0g n GLY 7 N 1.33 0.53 3.28 0.00 0.00 -1.26 -4.95 105.19 104.12 1q0g n GLY 7 Ca -0.02 0.00 -0.35 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 -2.17 3.31 0.03 1.61 1.01 -1.26 -4.96 120.40 117.97 1q0g s VAL 8 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1q0g s VAL 8 Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1q0g s VAL 8 CO 0.00 0.29 0.03 -0.31 0.00 0.00 0.00 175.10 175.12 1q0g s TYR 9 N 1.43 0.26 -0.30 5.22 2.02 -1.26 -1.31 117.35 123.41 1q0g s TYR 9 Ca 0.03 -0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 1q0g s TYR 9 Cb -0.15 -0.19 0.17 0.00 -0.40 0.00 0.00 41.96 41.38 1q0g s TYR 9 CO -0.03 -0.29 0.87 0.34 -1.57 0.00 0.00 175.55 174.87 1q0g s ASP 10 N -1.92 -0.81 0.06 2.29 -1.08 -1.26 -5.00 116.67 108.96 1q0g s ASP 10 Ca -0.08 0.84 0.04 0.00 -0.52 0.00 0.00 52.55 52.82 1q0g s ASP 10 Cb -0.04 1.81 0.22 0.00 -1.46 0.00 0.00 42.92 43.45 1q0g s ASP 10 CO -0.03 -0.15 1.08 -2.65 0.52 0.00 0.00 175.17 173.93 1q0g n PRO 11 N 5.26 0.03 0.18 4.34 -0.02 -1.26 -1.67 135.00 141.85 1q0g n PRO 11 Ca -0.08 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1q0g n PRO 11 Cb 0.52 -1.63 0.64 0.00 -0.02 0.00 0.00 33.50 33.01 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 1.82 2.13 -0.34 3.55 0.00 -1.98 -0.92 119.26 123.51 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 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1q0g h ALA 12 CO 0.00 -0.17 0.17 1.96 0.00 0.00 0.00 179.25 181.21 1q0g h GLN 13 N 0.02 0.49 -0.43 0.00 4.20 -1.76 0.02 115.11 117.66 1q0g h GLN 13 Ca 0.08 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1q0g h GLN 13 Cb 0.28 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1q0g h GLN 13 CO -0.00 0.44 -0.08 0.00 -0.67 0.00 0.00 178.83 178.51 1q0g h ALA 14 N 1.03 0.58 -0.24 3.87 0.00 -1.50 -3.09 119.26 119.91 1q0g h ALA 14 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1q0g h ALA 14 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1q0g h ALA 14 CO -0.02 0.45 0.13 -0.09 0.00 0.00 0.00 179.25 179.72 1q0g h ARG 15 N 0.63 0.27 -0.79 0.00 2.43 -0.93 -1.52 114.38 114.47 1q0g h ARG 15 Ca 0.11 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1q0g h ARG 15 Cb 0.60 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1q0g h ARG 15 CO 0.04 0.18 0.51 0.82 -1.51 0.00 0.00 179.97 180.01 1q0g h ILE 16 N 0.28 1.15 -0.39 1.20 2.04 -1.01 0.15 117.51 120.93 1q0g h ILE 16 Ca 0.09 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1q0g h ILE 16 Cb 0.00 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1q0g h ILE 16 CO -0.05 0.19 -0.22 -0.33 0.00 0.00 0.00 178.15 177.74 1q0g h GLU 17 N 1.01 0.78 -0.18 2.37 4.39 -1.44 -2.30 114.58 119.22 1q0g h GLU 17 Ca 0.30 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1q0g h GLU 17 Cb -0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1q0g h GLU 17 CO -0.09 0.93 -0.29 0.00 -1.16 0.00 0.00 179.01 178.40 1q0g h ALA 18 N 1.07 1.17 -0.52 3.43 0.00 -0.56 -1.81 119.26 122.05 1q0g h ALA 18 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1q0g h ALA 18 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1q0g h ALA 18 CO 0.06 0.54 -0.00 0.93 0.00 0.00 0.00 179.25 180.77 1q0g h GLU 19 N 0.31 0.87 -0.57 0.00 5.08 -0.39 -1.83 114.58 118.05 1q0g h GLU 19 Ca 0.04 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1q0g h GLU 19 Cb 0.67 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1q0g h GLU 19 CO 0.05 0.87 0.08 0.77 -1.00 0.00 0.00 179.01 179.78 1q0g h SER 20 N 0.81 0.92 -0.12 1.42 0.02 -0.90 -0.79 113.55 114.90 1q0g h SER 20 Ca 0.15 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1q0g h SER 20 Cb 0.49 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1q0g h SER 20 CO 0.02 0.95 -0.10 0.58 -1.14 0.00 0.00 176.83 177.15 1q0g h VAL 21 N 0.85 0.71 -0.75 2.27 2.07 -0.92 0.51 116.25 120.99 1q0g h VAL 21 Ca 0.17 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1q0g h VAL 21 Cb 0.44 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1q0g h VAL 21 CO 0.01 0.00 0.25 0.50 0.02 0.00 0.00 177.57 178.36 1q0g h LYS 22 N -0.11 1.15 -0.88 1.57 3.64 -1.17 -1.77 116.57 119.00 1q0g h LYS 22 Ca 0.08 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1q0g h LYS 22 Cb 0.23 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1q0g h LYS 22 CO -0.19 0.96 0.50 0.00 -2.27 0.00 0.00 179.45 178.46 1q0g h ALA 23 N 1.13 1.23 -0.54 5.00 0.00 -0.66 -0.67 119.26 124.75 1q0g h ALA 23 Ca 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1q0g h ALA 23 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1q0g h ALA 23 CO -0.01 0.64 -0.05 0.82 0.00 0.00 0.00 179.25 180.64 1q0g h ILE 24 N 1.22 1.27 -0.84 0.00 2.04 -0.56 -1.57 117.51 119.06 1q0g h ILE 24 Ca 0.31 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1q0g h ILE 24 Cb -0.01 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1q0g h ILE 24 CO -0.05 0.42 0.39 1.56 0.00 0.00 0.00 178.15 180.47 1q0g h GLN 25 N 0.87 1.23 -0.66 2.37 4.20 -0.76 0.09 115.11 122.44 1q0g h GLN 25 Ca 0.15 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1q0g h GLN 25 Cb 0.61 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1q0g h GLN 25 CO 0.04 0.95 0.19 0.93 -0.67 0.00 0.00 178.83 180.27 1q0g h GLU 26 N 1.21 1.02 -0.34 1.46 5.08 -0.84 -2.22 114.58 119.95 1q0g h GLU 26 Ca 0.29 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1q0g h GLU 26 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1q0g h GLU 26 CO -0.03 0.89 -0.24 0.87 -1.00 0.00 0.00 179.01 179.50 1q0g h LYS 27 N 0.98 0.68 0.00 2.33 1.57 -0.55 -2.81 116.57 118.76 1q0g h LYS 27 Ca 0.21 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1q0g h LYS 27 Cb 0.30 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1q0g h LYS 27 CO -0.00 0.85 -0.13 0.52 -0.57 0.00 0.00 179.45 180.12 1q0g h MET 28 N 0.59 0.00 0.00 3.15 2.86 -0.52 -1.00 114.93 120.01 1q0g h MET 28 Ca 0.08 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1q0g h MET 28 Cb 0.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1q0g h MET 28 CO 0.06 0.13 -0.22 0.00 1.06 0.00 0.00 176.91 177.93 1q0g h ALA 29 N 1.87 1.01 0.00 6.32 0.00 -1.14 -3.34 119.26 123.98 1q0g h ALA 29 Ca -0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1q0g h ALA 29 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1q0g h ALA 29 CO 0.02 0.28 -1.69 0.00 0.00 0.00 0.00 179.25 177.86 1q0g n ALA 30 N -2.22 1.88 -2.79 0.00 0.00 -0.91 -4.91 120.51 111.55 1q0g n ALA 30 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1q0g n ALA 30 Cb 0.44 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -4.11 5.95 -0.03 0.00 3.84 -0.43 -4.94 114.94 115.22 1q0g s ASN 31 Ca -0.05 -1.14 0.19 0.00 0.21 0.00 0.00 52.86 52.07 1q0g s ASN 31 Cb 0.04 -2.11 0.59 0.00 -0.55 0.00 0.00 41.25 39.23 1q0g s ASN 31 CO 0.45 -0.50 1.49 -0.90 -2.79 0.00 0.00 177.10 174.84 1q0g n ASP 32 N 5.09 3.69 -4.73 -4.21 5.68 -1.26 -4.70 116.55 116.11 1q0g n ASP 32 Ca -0.11 -2.11 -0.42 0.00 -0.50 0.00 0.00 54.79 51.65 1q0g n ASP 32 Cb 0.45 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1q0g n ASP 32 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1q0g s ASP 33 N -0.96 6.55 0.14 -1.12 2.15 -1.26 -4.88 116.67 117.30 1q0g s ASP 33 Ca 0.44 2.70 -0.21 0.00 0.43 0.00 0.00 52.55 55.91 1q0g s ASP 33 Cb 0.24 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1q0g s ASP 33 CO 0.28 -0.82 1.66 0.25 -0.17 0.00 0.00 175.17 176.36 1q0g h LEU 34 N 5.99 -0.55 -1.17 -1.34 5.85 -1.99 0.23 115.31 122.34 1q0g h LEU 34 Ca -0.44 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 1q0g h LEU 34 Cb 1.21 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1q0g h LEU 34 CO 0.86 -0.21 -0.16 0.45 -0.34 0.00 0.00 178.44 179.04 1q0g h HIS 35 N -0.17 0.42 -0.42 1.25 3.86 -2.00 -0.87 115.15 117.21 1q0g h HIS 35 Ca 0.13 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1q0g h HIS 35 Cb 0.36 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1q0g h HIS 35 CO -0.32 0.53 -0.04 0.35 0.86 0.00 0.00 177.93 179.31 1q0g h PHE 36 N 0.36 0.85 -0.91 2.45 3.57 -1.80 -1.66 116.94 119.80 1q0g h PHE 36 Ca 0.07 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1q0g h PHE 36 Cb 0.49 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1q0g h PHE 36 CO 0.01 0.86 0.58 1.96 -2.23 0.00 0.00 178.31 179.49 1q0g h GLN 37 N 0.60 1.22 0.18 1.11 1.08 -0.36 0.30 115.11 119.23 1q0g h GLN 37 Ca 0.11 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1q0g h GLN 37 Cb 0.54 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1q0g h GLN 37 CO 0.03 0.83 -0.09 0.82 -0.95 0.00 0.00 178.83 179.47 1q0g h ILE 38 N 1.25 0.91 -0.56 2.54 2.04 -0.97 -1.02 117.51 121.70 1q0g h ILE 38 Ca 0.33 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1q0g h ILE 38 Cb -0.11 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1q0g h ILE 38 CO -0.07 0.11 0.36 0.03 0.00 0.00 0.00 178.15 178.58 1q0g h ARG 39 N -0.47 0.74 -0.91 2.37 3.08 -1.00 -0.84 114.38 117.35 1q0g h ARG 39 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1q0g h ARG 39 Cb 0.36 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1q0g h ARG 39 CO 0.04 0.50 0.59 0.00 -1.07 0.00 0.00 179.97 180.03 1q0g h ALA 40 N 1.19 1.15 -0.21 0.04 0.00 -0.37 0.01 119.26 121.08 1q0g h ALA 40 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1q0g h ALA 40 Cb -0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1q0g h ALA 40 CO -0.04 0.57 -0.01 1.15 0.00 0.00 0.00 179.25 180.92 1q0g h THR 41 N 1.24 1.26 -0.34 0.00 2.02 -0.75 0.15 112.91 116.48 1q0g h THR 41 Ca 0.33 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1q0g h THR 41 Cb -0.12 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1q0g h THR 41 CO -0.07 0.28 0.19 0.58 0.37 0.00 0.00 175.52 176.87 1q0g h VAL 42 N 0.12 1.02 -0.22 3.16 2.07 -0.85 -1.70 116.25 119.86 1q0g h VAL 42 Ca 0.06 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1q0g h VAL 42 Cb 0.42 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1q0g h VAL 42 CO 0.01 0.07 -0.54 0.40 0.02 0.00 0.00 177.57 177.53 1q0g h ILE 43 N 0.40 1.31 -0.82 4.57 2.04 -0.96 -2.66 117.51 121.39 1q0g h ILE 43 Ca 0.14 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 1q0g h ILE 43 Cb 0.02 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1q0g h ILE 43 CO -0.07 0.56 0.41 0.50 0.00 0.00 0.00 178.15 179.55 1q0g h LYS 44 N 0.51 1.16 -0.52 2.37 3.64 -0.79 -1.05 116.57 121.88 1q0g h LYS 44 Ca 0.01 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1q0g h LYS 44 Cb 1.11 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1q0g h LYS 44 CO 0.11 0.88 0.34 1.49 -2.27 0.00 0.00 179.45 179.99 1q0g h GLU 45 N 1.15 0.69 -0.31 1.90 4.57 -1.15 -0.65 114.58 120.78 1q0g h GLU 45 Ca 0.28 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1q0g h GLU 45 Cb 0.08 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1q0g h GLU 45 CO -0.04 0.47 0.08 1.96 -1.18 0.00 0.00 179.01 180.30 1q0g h GLN 46 N 0.70 0.49 -0.16 1.92 4.20 -1.06 -1.79 115.11 119.42 1q0g h GLN 46 Ca 0.19 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 1q0g h GLN 46 Cb -0.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1q0g h GLN 46 CO -0.04 0.56 -0.51 0.00 -0.67 0.00 0.00 178.83 178.17 1q0g h ARG 47 N 0.34 0.45 -0.40 1.46 2.47 -1.06 -2.22 114.38 115.42 1q0g h ARG 47 Ca 0.10 -0.27 -0.09 0.00 -1.26 0.00 0.00 59.98 58.46 1q0g h ARG 47 Cb 0.29 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1q0g h ARG 47 CO 0.00 0.86 -0.14 0.00 0.56 0.00 0.00 179.97 181.25 1q0g h ALA 48 N 1.09 1.02 -0.67 0.04 0.00 -1.06 -1.39 119.26 118.30 1q0g h ALA 48 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1q0g h ALA 48 Cb 1.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1q0g h ALA 48 CO 0.09 0.59 0.14 1.49 0.00 0.00 0.00 179.25 181.56 1q0g h GLU 49 N 0.65 1.08 -0.71 0.00 4.57 -1.10 -1.14 114.58 117.93 1q0g h GLU 49 Ca 0.11 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 57.94 1q0g h GLU 49 Cb 0.60 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1q0g h GLU 49 CO 0.04 0.98 0.16 -0.07 -1.18 0.00 0.00 179.01 178.93 1q0g h LEU 50 N 1.00 1.08 -0.53 1.64 3.38 -1.09 -0.86 115.31 119.94 1q0g h LEU 50 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1q0g h LEU 50 Cb 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1q0g h LEU 50 CO 0.01 1.04 0.28 0.00 0.09 0.00 0.00 178.44 179.86 1q0g h ALA 51 N 1.08 0.68 -0.75 1.53 0.00 -0.89 -0.72 119.26 120.18 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 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1q0g h ALA 51 CO 0.00 0.21 0.40 0.87 0.00 0.00 0.00 179.25 180.73 1q0g h LYS 52 N 0.70 1.06 -0.44 0.00 1.57 -0.90 -1.97 116.57 116.59 1q0g h LYS 52 Ca 0.18 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1q0g h LYS 52 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1q0g h LYS 52 CO -0.03 0.80 0.27 1.25 -0.57 0.00 0.00 179.45 181.16 1q0g h HIS 53 N 1.04 0.58 -0.89 -1.35 2.76 -0.64 0.60 115.15 117.25 1q0g h HIS 53 Ca 0.26 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1q0g h HIS 53 Cb 0.06 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 1q0g h HIS 53 CO 0.00 0.41 0.53 0.45 -1.30 0.00 0.00 177.93 178.02 1q0g h HIS 54 N 0.58 1.17 -0.36 5.26 3.86 -0.82 -0.36 115.15 124.49 1q0g h HIS 54 Ca 0.16 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.22 1q0g h HIS 54 Cb -0.00 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 1q0g h HIS 54 CO -0.03 0.78 -0.35 -0.07 0.86 0.00 0.00 177.93 179.12 1q0g h LEU 55 N 1.22 0.86 -0.98 2.43 3.38 -1.03 -2.39 115.31 118.81 1q0g h LEU 55 Ca 0.32 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1q0g h LEU 55 Cb -0.04 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1q0g h LEU 55 CO -0.06 1.13 0.65 0.44 0.09 0.00 0.00 178.44 180.68 1q0g h ASP 56 N 0.68 1.11 -0.64 -0.43 3.32 -0.26 -1.21 116.42 118.99 1q0g h ASP 56 Ca 0.06 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1q0g h ASP 56 Cb 0.91 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1q0g h ASP 56 CO 0.08 0.80 0.25 0.58 -1.72 0.00 0.00 179.24 179.23 1q0g h VAL 57 N 1.31 1.24 -0.56 -1.35 2.07 -0.84 0.20 116.25 118.31 1q0g h VAL 57 Ca 0.36 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1q0g h VAL 57 Cb -0.12 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1q0g h VAL 57 CO -0.09 0.29 0.29 -0.07 0.02 0.00 0.00 177.57 178.02 1q0g h LEU 58 N 0.90 0.72 -0.30 2.57 3.38 -0.91 0.13 115.31 121.79 1q0g h LEU 58 Ca 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1q0g h LEU 58 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1q0g h LEU 58 CO -0.02 0.62 0.03 -0.25 0.09 0.00 0.00 178.44 178.91 1q0g h TRP 59 N 0.76 0.55 0.10 1.13 7.01 -0.89 -0.05 115.95 124.57 1q0g h TRP 59 Ca 0.20 -0.08 -0.29 0.00 2.11 0.00 0.00 58.89 60.82 1q0g h TRP 59 Cb 0.07 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1q0g h TRP 59 CO -0.01 0.62 -1.47 0.66 -2.79 0.00 0.00 178.44 175.45 1q0g h SER 60 N 0.32 0.34 0.00 2.65 4.64 -0.53 -3.39 113.55 117.58 1q0g h SER 60 Ca 0.09 -0.46 -0.36 0.00 -0.47 0.00 0.00 61.79 60.58 1q0g h SER 60 Cb 0.38 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.30 1q0g h SER 60 CO 0.01 1.38 -2.21 0.47 -0.87 0.00 0.00 176.83 175.61 1q0g n ASP 61 N -3.43 1.58 0.13 4.97 9.92 0.45 -4.83 116.55 125.34 1q0g n ASP 61 Ca -0.14 0.24 -0.09 0.00 -0.53 0.00 0.00 54.79 54.27 1q0g n ASP 61 Cb 1.03 -0.62 -0.05 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.38 -2.94 1.24 3.20 -1.29 -3.44 116.97 112.62 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 1.50 0.13 0.03 0.00 1.54 0.00 0.00 36.73 39.92 1q0g h TYR 62 CO -0.06 -0.10 0.78 -0.06 -1.64 0.00 0.00 178.16 177.08 1q0g s PHE 63 N -3.38 3.15 0.36 -3.82 0.08 -0.08 -5.02 117.98 109.28 1q0g s PHE 63 Ca -0.10 0.83 0.07 0.00 0.12 0.00 0.00 56.93 57.86 1q0g s PHE 63 Cb 0.01 -3.76 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 1q0g s PHE 63 CO 0.33 -2.72 0.37 0.15 -0.10 0.00 0.00 175.22 173.25 1q0g s LYS 64 N 1.22 2.79 0.29 0.44 -0.14 -1.26 -4.79 119.74 118.28 1q0g s LYS 64 Ca 0.66 -1.27 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 1q0g s LYS 64 Cb -0.39 -2.56 0.73 0.00 -1.68 0.00 0.00 37.83 33.94 1q0g s LYS 64 CO 0.30 0.01 1.68 -1.35 -0.76 0.00 0.00 175.35 175.23 1q0g h PRO 65 N 1.09 0.31 -0.28 -1.68 0.11 -1.99 0.44 132.00 130.00 1q0g h PRO 65 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1q0g h PRO 65 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1q0g h PRO 65 CO 0.56 0.21 0.16 -1.35 -0.21 0.00 0.00 178.00 177.36 1q0g h PRO 66 N 0.32 0.38 -0.45 1.05 0.11 -1.99 -2.11 132.00 129.32 1q0g h PRO 66 Ca 0.56 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.59 1q0g h PRO 66 Cb 1.11 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1q0g h PRO 66 CO -0.57 0.28 0.09 0.45 -0.21 0.00 0.00 178.00 178.03 1q0g h HIS 67 N 0.39 0.77 0.00 0.65 3.86 -1.30 -0.04 115.15 119.49 1q0g h HIS 67 Ca 0.10 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1q0g h HIS 67 Cb 0.01 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1q0g h HIS 67 CO 0.00 0.72 -0.21 0.74 0.86 0.00 0.00 177.93 180.04 1q0g h PHE 68 N 0.60 0.00 0.09 2.45 0.04 -1.27 0.68 116.94 119.53 1q0g h PHE 68 Ca 0.14 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.65 1q0g h PHE 68 Cb 0.36 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.53 1q0g h PHE 68 CO 0.02 0.21 -1.05 0.93 -0.60 0.00 0.00 178.31 177.83 1q0g h GLU 69 N 0.00 0.55 -0.40 1.51 4.39 -0.95 -3.24 114.58 116.44 1q0g h GLU 69 Ca -0.00 -0.71 -0.14 0.00 0.34 0.00 0.00 59.36 58.85 1q0g h GLU 69 Cb 0.59 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1q0g h GLU 69 CO 0.03 1.31 -0.28 0.77 -1.16 0.00 0.00 179.01 179.68 1q0g h SER 70 N 0.13 0.94 -3.76 1.42 0.02 -0.71 -3.35 113.55 108.25 1q0g h SER 70 Ca -0.16 -0.43 -0.70 0.00 -0.84 0.00 0.00 61.79 59.66 1q0g h SER 70 Cb 1.74 -0.26 -0.35 0.00 0.14 0.00 0.00 62.40 63.67 1q0g h SER 70 CO 0.20 1.17 -0.25 -0.31 -1.14 0.00 0.00 176.83 176.50 1q0g s TYR 71 N -4.53 3.63 0.63 3.45 1.51 0.21 -4.95 117.35 117.30 1q0g s TYR 71 Ca -0.12 -2.87 0.31 0.00 -1.01 0.00 0.00 57.07 53.38 1q0g s TYR 71 Cb 0.11 -3.20 1.66 0.00 -0.11 0.00 0.00 41.96 40.42 1q0g s TYR 71 CO 0.86 -0.78 1.99 -1.00 -1.11 0.00 0.00 175.55 175.51 1q0g h PRO 72 N 6.51 0.00 -0.43 -1.71 0.13 -1.70 -1.42 132.00 133.38 1q0g h PRO 72 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1q0g h PRO 72 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1q0g h PRO 72 CO 0.77 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.93 1q0g n GLU 73 N -3.29 2.48 -0.10 0.86 -0.58 -1.26 -4.59 120.64 114.15 1q0g n GLU 73 Ca 0.01 -2.28 -0.09 0.00 -0.42 0.00 0.00 57.16 54.38 1q0g n GLU 73 Cb 0.42 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 1q0g n GLU 73 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1q0g h LEU 74 N 4.10 0.41 -0.37 -4.62 5.85 -1.57 -0.27 115.31 118.85 1q0g h LEU 74 Ca 0.00 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1q0g h LEU 74 Cb 0.94 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1q0g h LEU 74 CO 0.00 0.39 0.06 0.45 -0.34 0.00 0.00 178.44 179.01 1q0g h HIS 75 N 0.40 0.10 -0.75 1.25 3.86 -1.81 -1.05 115.15 117.15 1q0g h HIS 75 Ca 0.11 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1q0g h HIS 75 Cb 0.08 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 1q0g h HIS 75 CO -0.03 0.00 0.45 1.15 0.86 0.00 0.00 177.93 180.37 1q0g h THR 76 N 0.18 1.21 0.00 2.45 2.02 -1.82 -1.11 112.91 115.85 1q0g h THR 76 Ca 0.18 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1q0g h THR 76 Cb 0.21 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1q0g h THR 76 CO -0.24 0.23 -0.00 0.25 0.37 0.00 0.00 175.52 176.12 1q0g h LEU 77 N 1.03 -0.01 -0.65 2.58 5.85 -0.29 0.93 115.31 124.75 1q0g h LEU 77 Ca 0.27 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 1q0g h LEU 77 Cb -0.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1q0g h LEU 77 CO -0.05 -0.00 0.08 0.58 -0.34 0.00 0.00 178.44 178.70 1q0g h VAL 78 N -0.01 1.26 -0.80 1.05 2.07 -1.10 -0.82 116.25 117.91 1q0g h VAL 78 Ca 0.00 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1q0g h VAL 78 Cb 0.01 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1q0g h VAL 78 CO -0.00 0.40 0.35 -1.13 0.02 0.00 0.00 177.57 177.21 1q0g h ASN 79 N 1.02 1.08 0.17 0.57 -0.73 -0.91 -0.95 115.58 115.82 1q0g h ASN 79 Ca 0.20 -0.16 -0.11 0.00 1.87 0.00 0.00 56.30 58.10 1q0g h ASN 79 Cb 0.48 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 1q0g h ASN 79 CO 0.02 0.94 -0.39 -0.33 -0.37 0.00 0.00 177.43 177.29 1q0g h GLU 80 N 1.15 0.30 -0.20 6.67 5.08 -0.55 -1.68 114.58 125.35 1q0g h GLU 80 Ca 0.27 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1q0g h GLU 80 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1q0g h GLU 80 CO -0.03 0.65 0.05 0.00 -1.00 0.00 0.00 179.01 178.68 1q0g h ALA 81 N 1.34 0.27 -0.13 3.43 0.00 -0.38 0.25 119.26 124.04 1q0g h ALA 81 Ca 0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1q0g h ALA 81 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1q0g h ALA 81 CO 0.06 -0.08 -0.42 -0.39 0.00 0.00 0.00 179.25 178.42 1q0g h VAL 82 N 0.14 1.31 -0.16 0.00 -1.51 -1.12 -2.15 116.25 112.77 1q0g h VAL 82 Ca 0.06 -1.56 -0.10 0.00 -1.23 0.00 0.00 66.70 63.87 1q0g h VAL 82 Cb 0.28 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.10 1q0g h VAL 82 CO 0.00 0.47 -0.33 0.11 -1.23 0.00 0.00 177.57 176.59 1q0g h LYS 83 N 0.25 0.32 -0.33 5.19 1.57 -1.10 -1.73 116.57 120.74 1q0g h LYS 83 Ca 0.02 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1q0g h LYS 83 Cb 0.85 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1q0g h LYS 83 CO 0.07 0.62 -0.12 0.00 -0.57 0.00 0.00 179.45 179.45 1q0g h ALA 84 N 1.37 1.18 -0.30 3.86 0.00 -0.40 -1.03 119.26 123.95 1q0g h ALA 84 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1q0g h ALA 84 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1q0g h ALA 84 CO 0.06 0.52 -0.38 -0.07 0.00 0.00 0.00 179.25 179.38 1q0g h LEU 85 N 0.52 0.74 -0.91 0.00 3.38 -0.90 -1.20 115.31 116.94 1q0g h LEU 85 Ca 0.09 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1q0g h LEU 85 Cb 0.52 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1q0g h LEU 85 CO 0.03 1.04 0.22 0.28 0.09 0.00 0.00 178.44 180.09 1q0g h SER 86 N 0.58 0.94 -0.13 -0.43 0.02 -0.77 -1.53 113.55 112.23 1q0g h SER 86 Ca 0.05 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1q0g h SER 86 Cb 0.91 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1q0g h SER 86 CO 0.08 0.88 -0.14 0.00 -1.14 0.00 0.00 176.83 176.51 1q0g h ALA 87 N 1.25 1.22 -0.28 3.77 0.00 -0.84 -2.54 119.26 121.85 1q0g h ALA 87 Ca 0.22 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1q0g h ALA 87 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q0g h ALA 87 CO -0.01 0.50 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 1q0g h ALA 88 N 1.40 1.00 -0.89 0.00 0.00 -0.51 -2.56 119.26 117.70 1q0g h ALA 88 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1q0g h ALA 88 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1q0g h ALA 88 CO 0.03 0.59 0.57 0.87 0.00 0.00 0.00 179.25 181.32 1q0g h LYS 89 N 0.49 1.19 -0.13 0.00 1.57 -0.89 -2.46 116.57 116.35 1q0g h LYS 89 Ca 0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1q0g h LYS 89 Cb 0.73 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1q0g h LYS 89 CO 0.06 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 1q0g n ALA 90 N -2.36 2.53 -2.45 3.86 0.00 -1.03 -4.87 120.51 116.18 1q0g n ALA 90 Ca 0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1q0g n ALA 90 Cb 0.03 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.44 1.41 0.00 0.00 0.15 -0.93 -5.02 113.70 107.88 1q0g s SER 91 Ca 0.27 -0.83 0.13 0.00 0.70 0.00 0.00 55.95 56.22 1q0g s SER 91 Cb 0.14 0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.55 1q0g s SER 91 CO 0.21 -0.28 0.88 0.35 1.20 0.00 0.00 173.24 175.60 1q0g n THR 92 N 0.50 0.00 -2.60 6.45 -2.24 -1.26 -4.87 114.28 110.26 1q0g n THR 92 Ca -0.16 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.72 1q0g n THR 92 Cb 0.58 1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 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 -1.17 6.89 0.64 3.42 -1.08 -1.26 -4.65 116.67 119.46 1q0g s ASP 93 Ca 0.14 1.08 0.32 0.00 -0.52 0.00 0.00 52.55 53.57 1q0g s ASP 93 Cb 0.11 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.77 1q0g s ASP 93 CO 0.19 -0.91 2.03 -0.65 0.52 0.00 0.00 175.17 176.35 1q0g h PRO 94 N 8.28 0.00 -0.24 4.34 0.11 -1.89 -0.61 132.00 141.99 1q0g h PRO 94 Ca -0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1q0g h PRO 94 Cb 1.07 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 0.06 0.00 -0.21 0.00 0.00 178.00 178.89 1q0g h ALA 95 N 1.55 1.66 -0.28 -0.75 0.00 -1.97 -0.04 119.26 119.44 1q0g h ALA 95 Ca 0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1q0g h ALA 95 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q0g h ALA 95 CO -0.00 0.26 -0.57 1.79 0.00 0.00 0.00 179.25 180.73 1q0g h THR 96 N 0.34 1.27 -0.78 0.00 1.35 -1.50 -0.85 112.91 112.74 1q0g h THR 96 Ca 0.08 -1.75 -0.05 0.00 -0.55 0.00 0.00 66.41 64.14 1q0g h THR 96 Cb 0.13 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 1q0g h THR 96 CO -0.00 0.57 0.29 1.23 -0.25 0.00 0.00 175.52 177.35 1q0g h GLY 97 N 0.69 1.27 1.26 5.82 0.00 -1.45 -2.43 103.07 108.23 1q0g h GLY 97 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 1q0g h GLY 97 CO 0.13 0.67 -0.07 -1.61 0.00 0.00 0.00 176.54 175.66 1q0g h GLN 98 N 1.15 0.88 -0.91 4.80 5.75 -0.85 -2.02 115.11 123.91 1q0g h GLN 98 Ca 0.26 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1q0g h GLN 98 Cb 0.25 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1q0g h GLN 98 CO -0.02 0.92 0.60 -0.22 -2.65 0.00 0.00 178.83 177.47 1q0g h LYS 99 N 0.80 1.18 -0.51 1.69 3.64 -0.81 0.48 116.57 123.05 1q0g h LYS 99 Ca 0.14 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1q0g h LYS 99 Cb 0.58 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1q0g h LYS 99 CO 0.04 0.78 0.05 0.00 -2.27 0.00 0.00 179.45 178.05 1q0g h ALA 100 N 1.44 0.68 -0.53 5.00 0.00 -1.07 -2.48 119.26 122.31 1q0g h ALA 100 Ca 0.34 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1q0g h ALA 100 Cb -0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1q0g h ALA 100 CO -0.08 0.45 0.14 -0.07 0.00 0.00 0.00 179.25 179.69 1q0g h LEU 101 N 0.75 0.75 -0.51 0.00 3.38 -0.60 -1.25 115.31 117.82 1q0g h LEU 101 Ca 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1q0g h LEU 101 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1q0g h LEU 101 CO 0.02 0.73 0.20 0.44 0.09 0.00 0.00 178.44 179.91 1q0g h ASP 102 N 0.78 0.71 -0.57 -0.43 3.32 -0.65 -0.68 116.42 118.90 1q0g h ASP 102 Ca 0.17 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1q0g h ASP 102 Cb 0.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1q0g h ASP 102 CO -0.00 0.69 0.07 1.88 -1.72 0.00 0.00 179.24 180.15 1q0g h TYR 103 N 0.68 1.03 -0.63 4.55 0.05 -1.14 -2.62 116.97 118.89 1q0g h TYR 103 Ca 0.17 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1q0g h TYR 103 Cb 0.21 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1q0g h TYR 103 CO 0.01 0.91 0.33 0.82 -1.05 0.00 0.00 178.16 179.18 1q0g h ILE 104 N 0.86 1.19 -0.51 -2.88 2.04 -0.93 -1.32 117.51 115.95 1q0g h ILE 104 Ca 0.17 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1q0g h ILE 104 Cb 0.45 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1q0g h ILE 104 CO 0.02 0.22 0.13 0.00 0.00 0.00 0.00 178.15 178.51 1q0g h ALA 105 N 1.49 1.27 -0.45 1.87 0.00 -0.79 0.21 119.26 122.86 1q0g h ALA 105 Ca 0.22 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1q0g h ALA 105 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1q0g h ALA 105 CO -0.03 0.51 -0.19 1.96 0.00 0.00 0.00 179.25 181.50 1q0g h GLN 106 N 0.75 0.92 -0.47 0.00 4.20 -1.00 -2.07 115.11 117.44 1q0g h GLN 106 Ca 0.17 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 1q0g h GLN 106 Cb 0.27 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1q0g h GLN 106 CO -0.00 1.05 -0.11 0.82 -0.67 0.00 0.00 178.83 179.91 1q0g h ILE 107 N 0.76 1.26 -0.82 2.54 2.04 -0.75 -2.69 117.51 119.84 1q0g h ILE 107 Ca 0.10 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1q0g h ILE 107 Cb 0.76 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1q0g h ILE 107 CO 0.06 0.42 0.46 -0.78 0.00 0.00 0.00 178.15 178.30 1q0g h ASP 108 N 0.77 1.03 -0.32 1.72 1.82 -0.38 0.74 116.42 121.80 1q0g h ASP 108 Ca 0.13 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1q0g h ASP 108 Cb 0.62 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1q0g h ASP 108 CO 0.04 0.83 0.08 0.50 -1.61 0.00 0.00 179.24 179.08 1q0g h LYS 109 N 1.14 0.51 -0.65 0.28 3.64 -1.18 -2.08 116.57 118.22 1q0g h LYS 109 Ca 0.29 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1q0g h LYS 109 Cb 0.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1q0g h LYS 109 CO -0.05 0.57 0.20 0.82 -2.27 0.00 0.00 179.45 178.72 1q0g h ILE 110 N 0.35 1.25 -0.08 2.00 2.04 -1.22 -1.97 117.51 119.87 1q0g h ILE 110 Ca 0.10 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1q0g h ILE 110 Cb 0.29 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1q0g h ILE 110 CO 0.00 0.33 -0.23 0.15 0.00 0.00 0.00 178.15 178.40 1q0g h PHE 111 N 0.95 -0.62 0.00 1.37 3.57 -0.63 -1.48 116.94 120.09 1q0g h PHE 111 Ca 0.21 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1q0g h PHE 111 Cb 0.31 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1q0g h PHE 111 CO 0.02 -0.32 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.01 1q0g h TRP 112 N -0.32 0.00 -0.55 0.41 4.06 -1.22 -1.33 115.95 117.00 1q0g h TRP 112 Ca 0.09 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.93 1q0g h TRP 112 Cb 0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.59 1q0g h TRP 112 CO -0.31 0.29 -0.05 0.93 -3.56 0.00 0.00 178.44 175.73 1q0g h GLU 113 N 0.00 1.01 0.00 0.49 5.08 -0.72 -0.76 114.58 119.68 1q0g h GLU 113 Ca -0.00 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1q0g h GLU 113 Cb 0.52 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1q0g h GLU 113 CO 0.04 1.03 -0.45 1.79 -1.00 0.00 0.00 179.01 180.42 1q0g h THR 114 N 0.89 1.12 -0.04 1.13 1.35 -0.85 -2.11 112.91 114.40 1q0g h THR 114 Ca 0.15 -1.66 -0.23 0.00 -0.55 0.00 0.00 66.41 64.12 1q0g h THR 114 Cb 0.61 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.99 1q0g h THR 114 CO 0.04 0.44 -0.90 0.11 -0.25 0.00 0.00 175.52 174.96 1q0g h LYS 115 N 0.00 0.55 -0.03 4.72 1.79 -0.89 -3.25 116.57 119.47 1q0g h LYS 115 Ca -0.00 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1q0g h LYS 115 Cb 0.91 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1q0g h LYS 115 CO 0.06 1.17 0.00 1.63 -1.08 0.00 0.00 179.45 181.23 1q0g n LYS 116 N -3.82 1.78 0.00 3.15 5.02 -0.32 -5.09 118.16 118.87 1q0g n LYS 116 Ca -0.07 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1q0g n LYS 116 Cb 0.81 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1q0g n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88