#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 1.15 -4.01 -0.05 0.00 -0.08 -1.26 -4.94 116.55 107.37 1q0g n ASP 3 Ca 0.15 0.13 -0.11 0.00 -1.51 0.00 0.00 54.79 53.44 1q0g n ASP 3 Cb 0.56 -1.96 -0.06 0.00 2.34 0.00 0.00 41.12 42.01 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 0.25-10.19 -2.67 5.85 -2.03 -3.46 115.31 103.06 1q0g h LEU 4 Ca -0.10 -0.25 -0.49 0.00 0.84 0.00 0.00 57.88 57.88 1q0g h LEU 4 Cb 0.46 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1q0g h LEU 4 CO 0.15 0.43 0.22 -2.16 -0.34 0.00 0.00 178.44 176.74 1q0g s PRO 5 N -5.23 3.82 0.01 5.25 0.04 -1.26 -5.12 135.00 132.51 1q0g s PRO 5 Ca -0.14 0.64 0.22 0.00 0.04 0.00 0.00 61.00 61.76 1q0g s PRO 5 Cb 0.06 -2.28 -0.20 0.00 0.04 0.00 0.00 34.50 32.11 1q0g s PRO 5 CO 0.71 -0.16 0.74 0.00 0.04 0.00 0.00 177.00 178.33 1q0g n GLY 7 N 1.33 0.64 3.32 0.00 0.00 -1.26 -4.95 105.19 104.28 1q0g n GLY 7 Ca -0.01 0.00 -0.37 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 -2.56 3.83 0.02 1.61 1.01 -1.26 -4.95 120.40 118.10 1q0g s VAL 8 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1q0g s VAL 8 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1q0g s VAL 8 CO 0.00 0.08 -0.04 -0.31 0.00 0.00 0.00 175.10 174.83 1q0g s TYR 9 N 1.47 0.34 -0.30 5.22 2.02 -1.26 -0.86 117.35 123.99 1q0g s TYR 9 Ca 0.02 -0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 1q0g s TYR 9 Cb -0.17 -0.23 0.16 0.00 -0.40 0.00 0.00 41.96 41.32 1q0g s TYR 9 CO 0.02 -0.14 0.76 0.34 -1.57 0.00 0.00 175.55 174.96 1q0g s ASP 10 N -1.28 -1.00 0.16 2.29 -1.08 -1.26 -5.00 116.67 109.51 1q0g s ASP 10 Ca -0.12 1.06 0.09 0.00 -0.52 0.00 0.00 52.55 53.06 1q0g s ASP 10 Cb -0.09 2.01 0.51 0.00 -1.46 0.00 0.00 42.92 43.89 1q0g s ASP 10 CO -0.01 -0.19 1.23 -2.65 0.52 0.00 0.00 175.17 174.07 1q0g n PRO 11 N 5.33 0.06 0.05 4.34 -0.02 -1.26 -1.77 135.00 141.73 1q0g n PRO 11 Ca -0.08 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1q0g n PRO 11 Cb 0.51 -1.79 0.56 0.00 -0.02 0.00 0.00 33.50 32.76 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 1.70 2.05 -0.33 3.55 0.00 -1.98 -0.26 119.26 123.99 1q0g h ALA 12 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1q0g h ALA 12 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q0g h ALA 12 CO 0.00 -0.12 0.15 1.96 0.00 0.00 0.00 179.25 181.23 1q0g h GLN 13 N 0.24 0.48 -0.48 0.00 4.20 -1.78 0.93 115.11 118.69 1q0g h GLN 13 Ca 0.17 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1q0g h GLN 13 Cb 0.36 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1q0g h GLN 13 CO -0.03 0.46 -0.06 0.00 -0.67 0.00 0.00 178.83 178.52 1q0g h ALA 14 N 0.99 0.66 -0.18 3.87 0.00 -1.53 -2.94 119.26 120.13 1q0g h ALA 14 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1q0g h ALA 14 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1q0g h ALA 14 CO -0.01 0.52 0.12 -0.09 0.00 0.00 0.00 179.25 179.79 1q0g h ARG 15 N 0.75 0.24 -0.85 0.00 2.43 -0.75 -1.20 114.38 115.01 1q0g h ARG 15 Ca 0.13 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1q0g h ARG 15 Cb 0.60 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1q0g h ARG 15 CO 0.04 0.16 0.55 0.82 -1.51 0.00 0.00 179.97 180.03 1q0g h ILE 16 N 0.24 1.17 -0.24 1.20 2.04 -0.81 0.18 117.51 121.30 1q0g h ILE 16 Ca 0.07 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.40 1q0g h ILE 16 Cb -0.03 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 1q0g h ILE 16 CO -0.02 0.20 -0.47 -0.33 0.00 0.00 0.00 178.15 177.53 1q0g h GLU 17 N 1.10 0.65 -0.08 2.37 4.39 -1.33 -2.29 114.58 119.38 1q0g h GLU 17 Ca 0.33 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1q0g h GLU 17 Cb -0.05 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1q0g h GLU 17 CO -0.09 0.98 -0.38 0.00 -1.16 0.00 0.00 179.01 178.35 1q0g h ALA 18 N 0.96 1.21 -0.34 3.43 0.00 -0.68 -1.64 119.26 122.20 1q0g h ALA 18 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1q0g h ALA 18 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1q0g h ALA 18 CO 0.10 0.55 -0.15 0.93 0.00 0.00 0.00 179.25 180.67 1q0g h GLU 19 N 0.15 0.60 -0.43 0.00 5.08 -0.40 -2.12 114.58 117.46 1q0g h GLU 19 Ca 0.02 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1q0g h GLU 19 Cb 0.75 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1q0g h GLU 19 CO 0.06 0.73 -0.22 0.77 -1.00 0.00 0.00 179.01 179.35 1q0g h SER 20 N 0.55 0.88 -0.17 1.42 0.02 -0.82 -1.14 113.55 114.29 1q0g h SER 20 Ca 0.09 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1q0g h SER 20 Cb 0.57 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1q0g h SER 20 CO 0.04 1.06 0.05 0.58 -1.14 0.00 0.00 176.83 177.43 1q0g h VAL 21 N 0.75 0.96 -0.55 2.27 2.07 -0.83 -0.04 116.25 120.87 1q0g h VAL 21 Ca 0.10 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1q0g h VAL 21 Cb 0.76 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1q0g h VAL 21 CO 0.06 0.02 0.03 0.50 0.02 0.00 0.00 177.57 178.20 1q0g h LYS 22 N 0.13 0.96 -0.91 1.57 3.64 -1.29 -2.02 116.57 118.65 1q0g h LYS 22 Ca 0.07 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1q0g h LYS 22 Cb 0.04 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1q0g h LYS 22 CO -0.07 0.95 0.60 0.00 -2.27 0.00 0.00 179.45 178.66 1q0g h ALA 23 N 0.97 1.34 -0.58 5.00 0.00 -0.93 0.19 119.26 125.26 1q0g h ALA 23 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1q0g h ALA 23 Cb 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1q0g h ALA 23 CO 0.02 0.61 -0.04 0.82 0.00 0.00 0.00 179.25 180.66 1q0g h ILE 24 N 1.23 1.27 -0.80 0.00 2.04 -0.72 -1.48 117.51 119.05 1q0g h ILE 24 Ca 0.33 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1q0g h ILE 24 Cb -0.14 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1q0g h ILE 24 CO -0.07 0.43 0.32 1.56 0.00 0.00 0.00 178.15 180.38 1q0g h GLN 25 N 0.94 1.19 -0.78 2.37 4.20 -0.60 0.45 115.11 122.88 1q0g h GLN 25 Ca 0.16 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1q0g h GLN 25 Cb 0.60 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1q0g h GLN 25 CO 0.04 0.96 0.39 0.93 -0.67 0.00 0.00 178.83 180.48 1q0g h GLU 26 N 1.16 1.11 -0.47 1.46 5.08 -0.65 -1.13 114.58 121.14 1q0g h GLU 26 Ca 0.27 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1q0g h GLU 26 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1q0g h GLU 26 CO -0.02 0.85 -0.22 0.87 -1.00 0.00 0.00 179.01 179.48 1q0g h LYS 27 N 1.09 0.98 -0.00 2.33 1.79 -0.80 -2.94 116.57 119.02 1q0g h LYS 27 Ca 0.27 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 1q0g h LYS 27 Cb 0.09 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1q0g h LYS 27 CO -0.04 1.10 -0.14 0.52 -1.08 0.00 0.00 179.45 179.81 1q0g h MET 28 N 0.83 0.00 0.00 3.15 2.86 -0.44 -2.39 114.93 118.94 1q0g h MET 28 Ca 0.11 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1q0g h MET 28 Cb 0.80 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1q0g h MET 28 CO 0.07 0.15 -0.34 0.00 1.06 0.00 0.00 176.91 177.84 1q0g h ALA 29 N 1.85 1.29 -0.34 6.32 0.00 -1.03 -3.15 119.26 124.20 1q0g h ALA 29 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1q0g h ALA 29 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1q0g h ALA 29 CO 0.02 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1q0g n ALA 30 N -2.41 2.54 -3.39 0.00 0.00 -0.93 -4.85 120.51 111.48 1q0g n ALA 30 Ca -0.02 -1.59 -0.16 0.00 0.00 0.00 0.00 53.44 51.67 1q0g n ALA 30 Cb 0.40 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.32 1.56 -0.04 0.00 3.84 -1.03 -5.02 114.94 112.93 1q0g s ASN 31 Ca 0.32 -0.72 0.12 0.00 0.21 0.00 0.00 52.86 52.79 1q0g s ASN 31 Cb 0.22 0.56 0.42 0.00 -0.55 0.00 0.00 41.25 41.90 1q0g s ASN 31 CO 0.14 -0.39 1.31 -0.67 -2.79 0.00 0.00 177.10 174.70 1q0g n ASP 32 N 5.32 2.82 -4.74 -4.21 2.03 -1.26 -4.69 116.55 111.80 1q0g n ASP 32 Ca -0.02 -2.16 -0.42 0.00 0.52 0.00 0.00 54.79 52.72 1q0g n ASP 32 Cb 0.47 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 1q0g n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1q0g n ASP 33 N 0.69 3.95 0.03 1.67 -0.08 -1.26 -4.85 116.55 116.70 1q0g n ASP 33 Ca 0.16 1.13 -0.10 0.00 -1.51 0.00 0.00 54.79 54.46 1q0g n ASP 33 Cb 0.50 -1.60 -0.04 0.00 2.34 0.00 0.00 41.12 42.33 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 5.21 -0.61 -1.06 -2.67 5.85 -1.99 0.61 115.31 120.67 1q0g h LEU 34 Ca -0.46 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 1q0g h LEU 34 Cb 1.22 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1q0g h LEU 34 CO 0.83 -0.26 -0.24 0.45 -0.34 0.00 0.00 178.44 178.88 1q0g h HIS 35 N -0.29 0.42 -0.43 1.25 3.86 -1.99 -0.26 115.15 117.72 1q0g h HIS 35 Ca 0.08 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1q0g h HIS 35 Cb 0.40 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1q0g h HIS 35 CO -0.28 0.60 -0.04 0.35 0.86 0.00 0.00 177.93 179.42 1q0g h PHE 36 N 0.34 0.86 -0.82 2.45 3.57 -1.87 -1.16 116.94 120.31 1q0g h PHE 36 Ca 0.05 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1q0g h PHE 36 Cb 0.61 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1q0g h PHE 36 CO 0.02 0.86 0.54 1.96 -2.23 0.00 0.00 178.31 179.46 1q0g h GLN 37 N 0.61 1.09 0.16 1.11 1.08 -0.33 0.30 115.11 119.12 1q0g h GLN 37 Ca 0.12 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1q0g h GLN 37 Cb 0.55 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1q0g h GLN 37 CO 0.03 0.73 -0.08 0.82 -0.95 0.00 0.00 178.83 179.38 1q0g h ILE 38 N 1.12 0.93 -0.61 2.54 2.04 -0.87 -0.80 117.51 121.86 1q0g h ILE 38 Ca 0.30 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1q0g h ILE 38 Cb -0.12 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1q0g h ILE 38 CO -0.06 0.09 0.39 0.03 0.00 0.00 0.00 178.15 178.60 1q0g h ARG 39 N -0.40 0.81 -0.89 2.37 3.08 -0.95 -1.22 114.38 117.18 1q0g h ARG 39 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1q0g h ARG 39 Cb 0.31 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1q0g h ARG 39 CO 0.04 0.56 0.53 0.00 -1.07 0.00 0.00 179.97 180.02 1q0g h ALA 40 N 1.21 1.14 -0.35 0.04 0.00 -0.34 -0.65 119.26 120.31 1q0g h ALA 40 Ca 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1q0g h ALA 40 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1q0g h ALA 40 CO -0.05 0.61 0.03 1.15 0.00 0.00 0.00 179.25 180.99 1q0g h THR 41 N 1.23 1.25 -0.13 0.00 2.02 -0.72 0.86 112.91 117.43 1q0g h THR 41 Ca 0.32 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1q0g h THR 41 Cb -0.03 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1q0g h THR 41 CO -0.06 0.30 0.08 0.58 0.37 0.00 0.00 175.52 176.80 1q0g h VAL 42 N 0.42 1.03 -0.34 3.16 2.07 -0.90 -1.52 116.25 120.17 1q0g h VAL 42 Ca 0.10 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.42 1q0g h VAL 42 Cb 0.41 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1q0g h VAL 42 CO 0.01 0.03 -0.38 0.40 0.02 0.00 0.00 177.57 177.65 1q0g h ILE 43 N 0.17 1.28 -0.70 4.57 2.04 -1.07 -2.58 117.51 121.23 1q0g h ILE 43 Ca 0.05 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 1q0g h ILE 43 Cb -0.02 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1q0g h ILE 43 CO -0.02 0.51 0.32 0.50 0.00 0.00 0.00 178.15 179.46 1q0g h LYS 44 N 0.66 1.00 -0.51 2.37 3.64 -0.69 -0.82 116.57 122.21 1q0g h LYS 44 Ca 0.06 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1q0g h LYS 44 Cb 0.94 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1q0g h LYS 44 CO 0.09 0.78 0.28 1.49 -2.27 0.00 0.00 179.45 179.82 1q0g h GLU 45 N 0.99 0.72 -0.41 1.90 4.57 -1.10 -1.17 114.58 120.08 1q0g h GLU 45 Ca 0.24 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1q0g h GLU 45 Cb 0.13 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1q0g h GLU 45 CO -0.03 0.56 0.00 1.96 -1.18 0.00 0.00 179.01 180.32 1q0g h GLN 46 N 0.68 0.72 -0.09 1.92 4.20 -1.00 -2.02 115.11 119.52 1q0g h GLN 46 Ca 0.18 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1q0g h GLN 46 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1q0g h GLN 46 CO -0.03 0.80 -0.59 0.00 -0.67 0.00 0.00 178.83 178.35 1q0g h ARG 47 N 0.55 0.31 -0.39 1.46 2.47 -1.06 -2.30 114.38 115.42 1q0g h ARG 47 Ca 0.12 -0.21 -0.11 0.00 -1.26 0.00 0.00 59.98 58.52 1q0g h ARG 47 Cb 0.48 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1q0g h ARG 47 CO 0.02 0.81 -0.21 0.00 0.56 0.00 0.00 179.97 181.15 1q0g h ALA 48 N 1.15 0.89 -0.63 0.04 0.00 -1.16 -0.80 119.26 118.75 1q0g h ALA 48 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1q0g h ALA 48 Cb 1.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1q0g h ALA 48 CO 0.10 0.63 0.20 1.49 0.00 0.00 0.00 179.25 181.66 1q0g h GLU 49 N 0.68 0.98 -0.65 0.00 4.57 -1.20 -0.43 114.58 118.52 1q0g h GLU 49 Ca 0.10 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1q0g h GLU 49 Cb 0.72 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1q0g h GLU 49 CO 0.06 0.86 0.14 -0.07 -1.18 0.00 0.00 179.01 178.82 1q0g h LEU 50 N 0.91 1.00 -0.66 1.64 3.38 -1.12 -0.60 115.31 119.87 1q0g h LEU 50 Ca 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1q0g h LEU 50 Cb 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1q0g h LEU 50 CO -0.01 0.99 0.31 0.00 0.09 0.00 0.00 178.44 179.82 1q0g h ALA 51 N 1.05 0.85 -0.67 1.53 0.00 -0.78 -0.92 119.26 120.32 1q0g h ALA 51 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1q0g h ALA 51 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1q0g h ALA 51 CO 0.01 0.42 0.35 0.87 0.00 0.00 0.00 179.25 180.90 1q0g h LYS 52 N 0.91 0.94 -0.38 0.00 1.57 -0.73 -2.06 116.57 116.83 1q0g h LYS 52 Ca 0.22 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1q0g h LYS 52 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1q0g h LYS 52 CO -0.03 0.72 0.24 1.25 -0.57 0.00 0.00 179.45 181.07 1q0g h HIS 53 N 0.92 0.48 -0.99 -1.35 2.76 -0.60 0.24 115.15 116.61 1q0g h HIS 53 Ca 0.23 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1q0g h HIS 53 Cb 0.06 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 1q0g h HIS 53 CO -0.00 0.32 0.66 0.45 -1.30 0.00 0.00 177.93 178.05 1q0g h HIS 54 N 0.50 1.24 -0.42 5.26 3.86 -0.89 -0.79 115.15 123.92 1q0g h HIS 54 Ca 0.14 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.24 1q0g h HIS 54 Cb -0.04 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.00 1q0g h HIS 54 CO -0.05 0.77 -0.29 -0.07 0.86 0.00 0.00 177.93 179.16 1q0g h LEU 55 N 1.33 0.98 -1.25 2.43 3.38 -0.96 -2.27 115.31 118.96 1q0g h LEU 55 Ca 0.37 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1q0g h LEU 55 Cb -0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.31 1q0g h LEU 55 CO -0.09 1.20 0.47 0.44 0.09 0.00 0.00 178.44 180.55 1q0g h ASP 56 N 0.76 0.86 -0.47 -0.43 3.32 -0.39 -1.10 116.42 118.97 1q0g h ASP 56 Ca 0.08 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1q0g h ASP 56 Cb 0.87 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1q0g h ASP 56 CO 0.08 0.64 0.01 0.58 -1.72 0.00 0.00 179.24 178.82 1q0g h VAL 57 N 1.00 1.26 -0.57 -1.35 2.07 -0.96 0.20 116.25 117.90 1q0g h VAL 57 Ca 0.27 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1q0g h VAL 57 Cb -0.09 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1q0g h VAL 57 CO -0.05 0.36 0.29 -0.07 0.02 0.00 0.00 177.57 178.12 1q0g h LEU 58 N 0.67 0.72 -0.22 2.57 3.38 -0.87 0.14 115.31 121.70 1q0g h LEU 58 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1q0g h LEU 58 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1q0g h LEU 58 CO 0.02 0.63 0.03 -0.25 0.09 0.00 0.00 178.44 178.97 1q0g h TRP 59 N 0.76 0.40 0.12 1.13 7.01 -0.96 -0.19 115.95 124.22 1q0g h TRP 59 Ca 0.20 -0.06 -0.29 0.00 2.11 0.00 0.00 58.89 60.85 1q0g h TRP 59 Cb 0.09 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1q0g h TRP 59 CO -0.01 0.51 -1.38 0.66 -2.79 0.00 0.00 178.44 175.43 1q0g h SER 60 N 0.17 0.40 0.00 2.65 4.64 -0.54 -3.38 113.55 117.49 1q0g h SER 60 Ca 0.07 -0.48 -0.39 0.00 -0.47 0.00 0.00 61.79 60.52 1q0g h SER 60 Cb 0.33 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1q0g h SER 60 CO 0.00 1.39 -2.34 0.47 -0.87 0.00 0.00 176.83 175.49 1q0g n ASP 61 N -3.49 1.90 -0.03 4.97 9.92 0.47 -4.82 116.55 125.48 1q0g n ASP 61 Ca -0.12 0.15 -0.07 0.00 -0.53 0.00 0.00 54.79 54.22 1q0g n ASP 61 Cb 1.03 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 40.87 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 -0.56 -0.05 -3.45 1.24 3.20 -1.33 -3.46 116.97 112.56 1q0g h TYR 62 Ca -0.58 -0.00 -0.52 0.00 3.14 0.00 0.00 58.73 60.76 1q0g h TYR 62 Cb 1.63 0.02 0.05 0.00 1.54 0.00 0.00 36.73 39.97 1q0g h TYR 62 CO -0.04 0.36 0.71 -0.06 -1.64 0.00 0.00 178.16 177.49 1q0g s PHE 63 N -2.13 3.10 0.39 -3.82 0.08 -0.14 -5.03 117.98 110.44 1q0g s PHE 63 Ca -0.09 1.14 0.07 0.00 0.12 0.00 0.00 56.93 58.17 1q0g s PHE 63 Cb -0.01 -3.73 -0.08 0.00 -0.57 0.00 0.00 43.02 38.63 1q0g s PHE 63 CO 0.31 -2.30 0.00 0.15 -0.10 0.00 0.00 175.22 173.28 1q0g s LYS 64 N -0.48 1.91 0.26 0.44 -0.14 -1.26 -4.80 119.74 115.67 1q0g s LYS 64 Ca 0.57 -2.07 -0.05 0.00 -1.36 0.00 0.00 55.97 53.06 1q0g s LYS 64 Cb -0.40 -1.58 0.52 0.00 -1.68 0.00 0.00 37.83 34.69 1q0g s LYS 64 CO 0.43 -0.04 1.62 -1.35 -0.76 0.00 0.00 175.35 175.25 1q0g h PRO 65 N 1.83 0.08 -0.50 -1.68 0.11 -1.99 0.15 132.00 130.00 1q0g h PRO 65 Ca -0.43 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1q0g h PRO 65 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1q0g h PRO 65 CO 0.79 0.06 0.34 -1.35 -0.21 0.00 0.00 178.00 177.62 1q0g h PRO 66 N 0.09 0.37 -0.21 1.05 0.11 -1.99 -0.75 132.00 130.66 1q0g h PRO 66 Ca 0.46 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.45 1q0g h PRO 66 Cb 0.85 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1q0g h PRO 66 CO -0.73 0.25 -0.27 0.45 -0.21 0.00 0.00 178.00 177.48 1q0g h HIS 67 N 0.38 0.68 0.00 0.65 3.86 -1.12 -1.38 115.15 118.22 1q0g h HIS 67 Ca 0.22 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1q0g h HIS 67 Cb 0.40 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1q0g h HIS 67 CO -0.00 0.93 -0.22 0.74 0.86 0.00 0.00 177.93 180.24 1q0g h PHE 68 N 0.24 0.00 -0.03 2.45 0.04 -0.92 0.08 116.94 118.80 1q0g h PHE 68 Ca 0.03 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.64 1q0g h PHE 68 Cb 0.84 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.00 1q0g h PHE 68 CO 0.08 0.22 -0.59 1.49 -0.60 0.00 0.00 178.31 178.91 1q0g h GLU 69 N 0.00 0.45 -0.10 1.51 4.57 -1.01 -2.86 114.58 117.14 1q0g h GLU 69 Ca -0.00 -0.45 -0.09 0.00 -1.18 0.00 0.00 59.36 57.64 1q0g h GLU 69 Cb 0.56 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1q0g h GLU 69 CO 0.03 1.10 -0.36 0.77 -1.18 0.00 0.00 179.01 179.36 1q0g h SER 70 N -0.03 0.21 -2.85 1.04 0.02 -0.94 -3.34 113.55 107.67 1q0g h SER 70 Ca -0.07 -0.08 -0.61 0.00 -0.84 0.00 0.00 61.79 60.19 1q0g h SER 70 Cb 1.28 -0.06 -0.41 0.00 0.14 0.00 0.00 62.40 63.36 1q0g h SER 70 CO 0.12 0.57 -0.70 -0.31 -1.14 0.00 0.00 176.83 175.36 1q0g s TYR 71 N -4.24 2.77 -0.46 3.45 2.02 -0.01 -4.96 117.35 115.92 1q0g s TYR 71 Ca -0.04 -3.02 0.12 0.00 -0.37 0.00 0.00 57.07 53.76 1q0g s TYR 71 Cb 0.14 -2.12 0.67 0.00 -0.40 0.00 0.00 41.96 40.25 1q0g s TYR 71 CO 0.76 -0.64 1.35 -0.35 -1.57 0.00 0.00 175.55 175.11 1q0g n PRO 72 N 2.24 0.08 0.00 -1.71 -0.04 -1.08 -1.00 135.00 133.49 1q0g n PRO 72 Ca 0.23 0.56 0.11 0.00 -0.04 0.00 0.00 63.50 64.37 1q0g n PRO 72 Cb 0.39 -1.81 0.10 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.93 0.82 -0.16 0.54 0.00 -1.26 -4.52 120.64 114.14 1q0g n GLU 73 Ca -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 57.16 56.47 1q0g n GLU 73 Cb 0.06 -1.49 0.03 0.00 0.00 0.00 0.00 31.44 30.05 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 1.53 0.44 -0.25 -1.84 5.85 -1.39 0.14 115.31 119.78 1q0g h LEU 74 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1q0g h LEU 74 Cb 0.63 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1q0g h LEU 74 CO 0.00 0.31 0.02 0.45 -0.34 0.00 0.00 178.44 178.88 1q0g h HIS 75 N 0.55 0.02 -0.78 1.25 3.86 -1.79 -0.80 115.15 117.46 1q0g h HIS 75 Ca 0.20 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1q0g h HIS 75 Cb 0.04 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 1q0g h HIS 75 CO -0.08 -0.02 0.36 1.15 0.86 0.00 0.00 177.93 180.20 1q0g h THR 76 N 0.10 1.25 -0.07 2.45 2.02 -1.79 -1.31 112.91 115.57 1q0g h THR 76 Ca 0.12 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1q0g h THR 76 Cb 0.14 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1q0g h THR 76 CO -0.19 0.30 0.02 0.25 0.37 0.00 0.00 175.52 176.28 1q0g h LEU 77 N 1.10 0.02 -0.59 2.58 5.85 -0.33 0.18 115.31 124.13 1q0g h LEU 77 Ca 0.26 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 1q0g h LEU 77 Cb 0.15 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1q0g h LEU 77 CO -0.03 0.02 -0.03 0.58 -0.34 0.00 0.00 178.44 178.64 1q0g h VAL 78 N 0.05 1.27 -0.81 1.05 2.07 -1.05 -1.05 116.25 117.79 1q0g h VAL 78 Ca 0.03 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1q0g h VAL 78 Cb 0.02 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1q0g h VAL 78 CO -0.03 0.43 0.36 -1.13 0.02 0.00 0.00 177.57 177.21 1q0g h ASN 79 N 0.95 1.09 -0.10 0.57 -0.73 -0.90 -1.35 115.58 115.11 1q0g h ASN 79 Ca 0.16 -0.15 -0.10 0.00 1.87 0.00 0.00 56.30 58.08 1q0g h ASN 79 Cb 0.59 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1q0g h ASN 79 CO 0.04 0.93 -0.26 -0.33 -0.37 0.00 0.00 177.43 177.44 1q0g h GLU 80 N 1.17 0.55 -0.22 6.67 5.08 -0.39 -1.58 114.58 125.86 1q0g h GLU 80 Ca 0.28 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1q0g h GLU 80 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1q0g h GLU 80 CO -0.03 0.76 0.05 0.00 -1.00 0.00 0.00 179.01 178.79 1q0g h ALA 81 N 1.24 0.28 -0.13 3.43 0.00 -0.51 0.65 119.26 124.23 1q0g h ALA 81 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1q0g h ALA 81 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1q0g h ALA 81 CO 0.05 -0.06 -0.43 -0.39 0.00 0.00 0.00 179.25 178.42 1q0g h VAL 82 N 0.16 1.32 -0.08 0.00 -1.51 -1.20 -1.74 116.25 113.20 1q0g h VAL 82 Ca 0.07 -1.58 -0.10 0.00 -1.23 0.00 0.00 66.70 63.85 1q0g h VAL 82 Cb 0.28 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1q0g h VAL 82 CO 0.00 0.48 -0.41 0.11 -1.23 0.00 0.00 177.57 176.52 1q0g h LYS 83 N 0.25 0.18 -0.22 5.19 1.57 -1.10 -1.46 116.57 120.98 1q0g h LYS 83 Ca 0.02 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1q0g h LYS 83 Cb 0.86 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1q0g h LYS 83 CO 0.07 0.57 -0.33 0.00 -0.57 0.00 0.00 179.45 179.19 1q0g h ALA 84 N 1.42 1.02 -0.22 3.86 0.00 -0.34 -1.28 119.26 123.73 1q0g h ALA 84 Ca 0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1q0g h ALA 84 Cb 0.80 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1q0g h ALA 84 CO 0.06 0.59 -0.47 -0.07 0.00 0.00 0.00 179.25 179.36 1q0g h LEU 85 N 0.40 0.62 -0.97 0.00 3.38 -0.83 -0.97 115.31 116.94 1q0g h LEU 85 Ca 0.05 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1q0g h LEU 85 Cb 0.77 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1q0g h LEU 85 CO 0.06 0.99 0.14 0.28 0.09 0.00 0.00 178.44 180.01 1q0g h SER 86 N 0.45 0.84 -0.23 -0.43 0.02 -0.88 -1.45 113.55 111.88 1q0g h SER 86 Ca 0.03 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1q0g h SER 86 Cb 1.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1q0g h SER 86 CO 0.09 0.82 -0.14 0.00 -1.14 0.00 0.00 176.83 176.45 1q0g h ALA 87 N 1.29 1.08 -0.14 3.77 0.00 -0.88 -2.52 119.26 121.87 1q0g h ALA 87 Ca 0.19 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1q0g h ALA 87 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1q0g h ALA 87 CO -0.00 0.56 -0.34 0.00 0.00 0.00 0.00 179.25 179.47 1q0g h ALA 88 N 1.26 1.17 -0.85 0.00 0.00 -0.58 -2.56 119.26 117.70 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 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1q0g h ALA 88 CO 0.04 0.54 0.45 0.87 0.00 0.00 0.00 179.25 181.15 1q0g h LYS 89 N 0.24 1.20 -0.64 0.00 1.57 -0.85 -2.67 116.57 115.42 1q0g h LYS 89 Ca 0.03 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1q0g h LYS 89 Cb 0.72 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1q0g h LYS 89 CO 0.05 0.89 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 1q0g n ALA 90 N -2.40 2.90 -2.88 3.86 0.00 -0.99 -4.88 120.51 116.12 1q0g n ALA 90 Ca 0.09 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 1q0g n ALA 90 Cb 0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.59 0.15 0.00 0.00 0.15 -1.01 -5.01 113.70 107.38 1q0g s SER 91 Ca 0.25 -0.43 0.15 0.00 0.70 0.00 0.00 55.95 56.61 1q0g s SER 91 Cb 0.17 0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1q0g s SER 91 CO 0.11 -0.43 0.93 0.35 1.20 0.00 0.00 173.24 175.40 1q0g n THR 92 N 1.12 0.00 -2.61 6.45 -2.24 -1.26 -4.85 114.28 110.89 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 1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 70.06 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 -1.34 6.93 0.60 3.42 -1.08 -1.26 -4.68 116.67 119.26 1q0g s ASP 93 Ca 0.16 1.16 0.29 0.00 -0.52 0.00 0.00 52.55 53.64 1q0g s ASP 93 Cb 0.12 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.54 1q0g s ASP 93 CO 0.22 -0.86 1.91 -0.65 0.52 0.00 0.00 175.17 176.31 1q0g h PRO 94 N 8.12 0.00 -0.33 4.34 0.11 -1.89 -0.70 132.00 141.64 1q0g h PRO 94 Ca -0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 1q0g h PRO 94 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1q0g h PRO 94 CO 1.02 0.00 0.19 0.00 -0.21 0.00 0.00 178.00 179.00 1q0g h ALA 95 N 1.47 1.70 -0.31 -0.75 0.00 -1.97 -0.89 119.26 118.51 1q0g h ALA 95 Ca 0.19 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1q0g h ALA 95 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1q0g h ALA 95 CO -0.00 0.26 -0.45 1.79 0.00 0.00 0.00 179.25 180.85 1q0g h THR 96 N 0.46 1.28 -0.58 0.00 1.35 -1.52 -1.70 112.91 112.20 1q0g h THR 96 Ca 0.12 -1.64 -0.08 0.00 -0.55 0.00 0.00 66.41 64.27 1q0g h THR 96 Cb 0.01 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1q0g h THR 96 CO -0.02 0.53 0.05 1.23 -0.25 0.00 0.00 175.52 177.06 1q0g h GLY 97 N 0.85 1.03 1.54 5.82 0.00 -1.43 -2.75 103.07 108.13 1q0g h GLY 97 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1q0g h GLY 97 CO 0.10 0.64 -0.23 -1.61 0.00 0.00 0.00 176.54 175.44 1q0g h GLN 98 N 0.89 0.54 -0.86 4.80 5.75 -1.02 -2.19 115.11 123.03 1q0g h GLN 98 Ca 0.17 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1q0g h GLN 98 Cb 0.46 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1q0g h GLN 98 CO 0.02 0.73 0.44 -0.22 -2.65 0.00 0.00 178.83 177.15 1q0g h LYS 99 N 0.48 1.22 -0.43 1.69 3.64 -1.03 0.74 116.57 122.87 1q0g h LYS 99 Ca 0.07 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1q0g h LYS 99 Cb 0.66 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1q0g h LYS 99 CO 0.05 0.91 0.08 0.00 -2.27 0.00 0.00 179.45 178.22 1q0g h ALA 100 N 1.24 0.57 -0.63 5.00 0.00 -1.28 -2.25 119.26 121.90 1q0g h ALA 100 Ca 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1q0g h ALA 100 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1q0g h ALA 100 CO -0.04 0.28 0.31 -0.07 0.00 0.00 0.00 179.25 179.72 1q0g h LEU 101 N 0.57 0.80 -0.67 0.00 3.38 -0.78 -0.47 115.31 118.14 1q0g h LEU 101 Ca 0.13 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1q0g h LEU 101 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1q0g h LEU 101 CO 0.01 0.68 0.04 0.44 0.09 0.00 0.00 178.44 179.70 1q0g h ASP 102 N 0.89 1.04 -0.47 -0.43 3.32 -0.59 -0.82 116.42 119.36 1q0g h ASP 102 Ca 0.22 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1q0g h ASP 102 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1q0g h ASP 102 CO -0.03 1.06 -0.19 1.88 -1.72 0.00 0.00 179.24 180.25 1q0g h TYR 103 N 0.99 1.09 -0.51 4.55 0.05 -0.91 -2.67 116.97 119.57 1q0g h TYR 103 Ca 0.18 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1q0g h TYR 103 Cb 0.51 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1q0g h TYR 103 CO 0.04 1.07 0.25 0.82 -1.05 0.00 0.00 178.16 179.29 1q0g h ILE 104 N 0.80 1.17 -0.54 -2.88 2.04 -0.81 -1.27 117.51 116.02 1q0g h ILE 104 Ca 0.11 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1q0g h ILE 104 Cb 0.76 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1q0g h ILE 104 CO 0.06 0.19 0.07 0.00 0.00 0.00 0.00 178.15 178.48 1q0g h ALA 105 N 1.57 1.12 -0.40 1.87 0.00 -0.87 0.20 119.26 122.75 1q0g h ALA 105 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1q0g h ALA 105 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1q0g h ALA 105 CO -0.03 0.58 -0.25 1.96 0.00 0.00 0.00 179.25 181.51 1q0g h GLN 106 N 0.82 0.83 -0.45 0.00 4.20 -1.01 -1.90 115.11 117.60 1q0g h GLN 106 Ca 0.17 -0.36 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 1q0g h GLN 106 Cb 0.38 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1q0g h GLN 106 CO 0.01 0.99 -0.25 0.82 -0.67 0.00 0.00 178.83 179.73 1q0g h ILE 107 N 0.72 1.27 -0.56 2.54 2.04 -0.71 -2.54 117.51 120.26 1q0g h ILE 107 Ca 0.09 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.55 1q0g h ILE 107 Cb 0.79 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1q0g h ILE 107 CO 0.07 0.48 0.37 -0.78 0.00 0.00 0.00 178.15 178.28 1q0g h ASP 108 N 0.80 0.63 -0.29 1.72 3.58 -0.42 0.14 116.42 122.59 1q0g h ASP 108 Ca 0.10 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1q0g h ASP 108 Cb 0.82 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1q0g h ASP 108 CO 0.07 0.45 0.18 0.50 -2.88 0.00 0.00 179.24 177.56 1q0g h LYS 109 N 0.74 0.35 -0.68 0.28 3.64 -1.21 -2.03 116.57 117.66 1q0g h LYS 109 Ca 0.21 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1q0g h LYS 109 Cb -0.07 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1q0g h LYS 109 CO -0.05 0.23 0.15 0.82 -2.27 0.00 0.00 179.45 178.33 1q0g h ILE 110 N 0.37 1.26 0.09 2.00 2.04 -1.09 -2.45 117.51 119.73 1q0g h ILE 110 Ca 0.11 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1q0g h ILE 110 Cb -0.02 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1q0g h ILE 110 CO -0.04 0.38 -0.31 0.15 0.00 0.00 0.00 178.15 178.33 1q0g h PHE 111 N 1.04 -0.85 0.00 1.37 3.57 -0.30 -1.11 116.94 120.66 1q0g h PHE 111 Ca 0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1q0g h PHE 111 Cb 0.39 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1q0g h PHE 111 CO 0.03 -0.41 -0.22 -1.49 -2.23 0.00 0.00 178.31 173.99 1q0g h TRP 112 N -0.51 0.00 -0.17 0.41 4.06 -1.33 -1.68 115.95 116.72 1q0g h TRP 112 Ca 0.04 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 1q0g h TRP 112 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1q0g h TRP 112 CO -0.30 0.22 -0.36 0.93 -3.56 0.00 0.00 178.44 175.38 1q0g h GLU 113 N 0.00 0.37 0.00 0.49 5.08 -0.90 -2.71 114.58 116.90 1q0g h GLU 113 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1q0g h GLU 113 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1q0g h GLU 113 CO 0.03 0.68 0.00 1.79 -1.00 0.00 0.00 179.01 180.51 1q0g h THR 114 N 0.31 0.00 0.00 1.13 1.35 -0.30 -2.79 112.91 112.61 1q0g h THR 114 Ca 0.04 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1q0g h THR 114 Cb 0.78 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1q0g h THR 114 CO 0.06 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.44 1q0g h LYS 115 N 0.00 0.00 -6.69 4.72 1.79 -1.11 -3.45 116.57 111.82 1q0g h LYS 115 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1q0g h LYS 115 Cb 0.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1q0g h LYS 115 CO 0.00 0.00 0.37 0.15 -1.08 0.00 0.00 179.45 178.89 1q0g s LYS 116 N -3.19 4.77 0.00 3.15 1.02 -1.05 -5.12 119.74 119.32 1q0g s LYS 116 Ca 0.08 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.59 1q0g s LYS 116 Cb 0.09 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1q0g s LYS 116 CO 0.61 0.37 0.00 0.00 -0.92 0.00 0.00 175.35 175.41