#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 1.06 -4.12 -0.06 0.00 -0.08 -1.26 -4.93 116.55 107.16 1q0g n ASP 3 Ca 0.13 0.12 -0.11 0.00 -1.51 0.00 0.00 54.79 53.42 1q0g n ASP 3 Cb 0.55 -2.03 -0.04 0.00 2.34 0.00 0.00 41.12 41.93 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 0.28-10.15 -2.67 5.85 -2.03 -3.46 115.31 103.13 1q0g h LEU 4 Ca -0.10 -0.16 -0.49 0.00 0.84 0.00 0.00 57.88 57.98 1q0g h LEU 4 Cb 0.49 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1q0g h LEU 4 CO 0.14 0.36 0.15 -2.16 -0.34 0.00 0.00 178.44 176.59 1q0g s PRO 5 N -5.58 3.81 0.04 5.25 0.04 -1.26 -5.13 135.00 132.17 1q0g s PRO 5 Ca -0.14 0.53 0.22 0.00 0.04 0.00 0.00 61.00 61.66 1q0g s PRO 5 Cb 0.07 -2.36 -0.13 0.00 0.04 0.00 0.00 34.50 32.12 1q0g s PRO 5 CO 0.71 -0.05 0.81 0.00 0.04 0.00 0.00 177.00 178.51 1q0g n GLY 7 N 1.30 0.49 3.17 0.00 0.00 -1.26 -4.96 105.19 103.93 1q0g n GLY 7 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 2.46 0.03 1.61 1.01 -1.26 -4.97 120.40 117.28 1q0g s VAL 8 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1q0g s VAL 8 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1q0g s VAL 8 CO 0.00 0.42 0.04 -0.31 0.00 0.00 0.00 175.10 175.25 1q0g s TYR 9 N 1.32 0.26 -0.30 5.22 2.02 -1.26 -1.09 117.35 123.52 1q0g s TYR 9 Ca 0.03 -0.59 -0.08 0.00 -0.37 0.00 0.00 57.07 56.06 1q0g s TYR 9 Cb -0.14 -0.19 0.17 0.00 -0.40 0.00 0.00 41.96 41.39 1q0g s TYR 9 CO -0.09 -0.31 0.77 0.34 -1.57 0.00 0.00 175.55 174.69 1q0g s ASP 10 N -2.03 -0.99 0.16 2.29 -1.08 -1.26 -5.01 116.67 108.75 1q0g s ASP 10 Ca -0.07 0.94 0.09 0.00 -0.52 0.00 0.00 52.55 53.00 1q0g s ASP 10 Cb -0.02 1.96 0.52 0.00 -1.46 0.00 0.00 42.92 43.91 1q0g s ASP 10 CO -0.04 -0.19 1.24 -2.65 0.52 0.00 0.00 175.17 174.05 1q0g n PRO 11 N 5.35 0.06 0.28 4.34 -0.02 -1.26 -1.63 135.00 142.12 1q0g n PRO 11 Ca -0.07 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1q0g n PRO 11 Cb 0.51 -1.79 0.82 0.00 -0.02 0.00 0.00 33.50 33.03 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 1.72 1.68 -0.28 3.55 0.00 -1.98 -1.15 119.26 122.80 1q0g h ALA 12 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1q0g h ALA 12 Cb 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1q0g h ALA 12 CO 0.00 0.00 0.10 1.96 0.00 0.00 0.00 179.25 181.32 1q0g h GLN 13 N 0.00 0.42 -0.38 0.00 4.20 -1.75 -0.11 115.11 117.50 1q0g h GLN 13 Ca -0.00 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1q0g h GLN 13 Cb 0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1q0g h GLN 13 CO 0.00 0.46 -0.06 0.00 -0.67 0.00 0.00 178.83 178.56 1q0g h ALA 14 N 0.94 0.52 -0.41 3.87 0.00 -1.55 -3.12 119.26 119.52 1q0g h ALA 14 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1q0g h ALA 14 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1q0g h ALA 14 CO -0.01 0.35 0.25 -0.09 0.00 0.00 0.00 179.25 179.76 1q0g h ARG 15 N 0.52 0.50 -0.96 0.00 2.43 -1.04 -1.08 114.38 114.75 1q0g h ARG 15 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1q0g h ARG 15 Cb 0.56 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1q0g h ARG 15 CO 0.03 0.33 0.61 0.82 -1.51 0.00 0.00 179.97 180.26 1q0g h ILE 16 N 0.52 1.25 -0.35 1.20 2.04 -1.03 0.19 117.51 121.33 1q0g h ILE 16 Ca 0.16 -0.50 -0.15 0.00 1.00 0.00 0.00 64.86 65.37 1q0g h ILE 16 Cb -0.03 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.91 1q0g h ILE 16 CO -0.05 0.25 -0.36 -0.33 0.00 0.00 0.00 178.15 177.66 1q0g h GLU 17 N 1.31 0.82 -0.21 2.37 4.39 -1.43 -2.35 114.58 119.48 1q0g h GLU 17 Ca 0.35 -0.41 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1q0g h GLU 17 Cb -0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1q0g h GLU 17 CO -0.07 1.05 -0.18 0.00 -1.16 0.00 0.00 179.01 178.64 1q0g h ALA 18 N 0.90 1.30 -0.52 3.43 0.00 -0.57 -1.66 119.26 122.15 1q0g h ALA 18 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1q0g h ALA 18 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1q0g h ALA 18 CO 0.09 0.47 -0.01 0.93 0.00 0.00 0.00 179.25 180.72 1q0g h GLU 19 N 0.33 0.88 -0.61 0.00 4.39 -0.37 -2.05 114.58 117.15 1q0g h GLU 19 Ca 0.06 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 1q0g h GLU 19 Cb 0.52 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1q0g h GLU 19 CO 0.03 0.88 0.09 0.77 -1.16 0.00 0.00 179.01 179.62 1q0g h SER 20 N 0.81 0.97 -0.04 1.42 0.02 -0.85 -0.29 113.55 115.60 1q0g h SER 20 Ca 0.15 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1q0g h SER 20 Cb 0.49 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1q0g h SER 20 CO 0.02 0.99 -0.15 0.58 -1.14 0.00 0.00 176.83 177.13 1q0g h VAL 21 N 0.91 0.62 -0.52 2.27 2.07 -0.90 0.45 116.25 121.15 1q0g h VAL 21 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1q0g h VAL 21 Cb 0.44 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1q0g h VAL 21 CO 0.01 0.00 0.20 0.50 0.02 0.00 0.00 177.57 178.30 1q0g h LYS 22 N -0.23 0.79 -0.86 1.57 3.64 -1.24 -1.93 116.57 118.31 1q0g h LYS 22 Ca 0.06 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1q0g h LYS 22 Cb 0.32 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1q0g h LYS 22 CO -0.18 0.70 0.57 0.00 -2.27 0.00 0.00 179.45 178.28 1q0g h ALA 23 N 1.05 1.40 -0.48 5.00 0.00 -0.69 -0.39 119.26 125.15 1q0g h ALA 23 Ca 0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1q0g h ALA 23 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1q0g h ALA 23 CO -0.01 0.55 -0.11 0.82 0.00 0.00 0.00 179.25 180.50 1q0g h ILE 24 N 1.15 1.27 -0.77 0.00 2.04 -0.61 -1.75 117.51 118.85 1q0g h ILE 24 Ca 0.32 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1q0g h ILE 24 Cb -0.11 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1q0g h ILE 24 CO -0.07 0.43 0.40 1.56 0.00 0.00 0.00 178.15 180.47 1q0g h GLN 25 N 0.76 1.08 -0.73 2.37 4.20 -0.55 -0.00 115.11 122.24 1q0g h GLN 25 Ca 0.12 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1q0g h GLN 25 Cb 0.66 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1q0g h GLN 25 CO 0.05 0.81 0.27 0.93 -0.67 0.00 0.00 178.83 180.22 1q0g h GLU 26 N 1.08 1.10 -0.03 1.46 4.39 -0.83 -2.71 114.58 119.04 1q0g h GLU 26 Ca 0.27 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1q0g h GLU 26 Cb 0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1q0g h GLU 26 CO -0.04 0.91 -0.47 0.87 -1.16 0.00 0.00 179.01 179.12 1q0g h LYS 27 N 1.05 0.08 0.00 2.33 1.57 -0.49 -2.87 116.57 118.25 1q0g h LYS 27 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1q0g h LYS 27 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1q0g h LYS 27 CO -0.02 0.54 0.00 0.52 -0.57 0.00 0.00 179.45 179.92 1q0g h MET 28 N 0.06 0.00 0.00 3.15 2.86 -0.69 -1.63 114.93 118.68 1q0g h MET 28 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1q0g h MET 28 Cb 0.86 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1q0g h MET 28 CO 0.06 0.00 -0.35 0.00 1.06 0.00 0.00 176.91 177.68 1q0g h ALA 29 N 2.06 0.77 -0.30 6.32 0.00 -1.49 -3.34 119.26 123.26 1q0g h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q0g h ALA 29 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1q0g h ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1q0g n ALA 30 N -1.82 2.36 -3.27 0.00 0.00 -0.62 -4.88 120.51 112.29 1q0g n ALA 30 Ca 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 1q0g n ALA 30 Cb 0.44 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.19 -0.32 0.00 0.00 3.84 -1.22 -5.02 114.94 111.04 1q0g s ASN 31 Ca 0.29 0.22 0.11 0.00 0.21 0.00 0.00 52.86 53.69 1q0g s ASN 31 Cb 0.17 1.47 0.35 0.00 -0.55 0.00 0.00 41.25 42.68 1q0g s ASN 31 CO 0.23 -0.30 1.28 -0.90 -2.79 0.00 0.00 177.10 174.61 1q0g n ASP 32 N 5.38 1.69 -4.72 -4.21 5.68 -1.26 -4.67 116.55 114.44 1q0g n ASP 32 Ca -0.01 -1.96 -0.42 0.00 -0.50 0.00 0.00 54.79 51.90 1q0g n ASP 32 Cb 0.51 -0.20 -0.02 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 0.41 3.69 -0.01 -1.12 -0.08 -1.26 -4.87 116.55 113.31 1q0g n ASP 33 Ca 0.11 1.12 -0.09 0.00 -1.51 0.00 0.00 54.79 54.43 1q0g n ASP 33 Cb 0.27 -1.56 -0.03 0.00 2.34 0.00 0.00 41.12 42.15 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 5.19 -0.41 -1.13 -2.67 5.85 -1.99 -1.04 115.31 119.11 1q0g h LEU 34 Ca -0.46 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 1q0g h LEU 34 Cb 1.23 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1q0g h LEU 34 CO 0.83 -0.17 -0.10 0.45 -0.34 0.00 0.00 178.44 179.11 1q0g h HIS 35 N -0.15 0.52 -0.42 1.25 3.86 -1.99 -0.45 115.15 117.77 1q0g h HIS 35 Ca 0.10 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 1q0g h HIS 35 Cb 0.29 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1q0g h HIS 35 CO -0.26 0.58 -0.01 0.35 0.86 0.00 0.00 177.93 179.46 1q0g h PHE 36 N 0.46 0.82 -0.93 2.45 3.57 -1.86 -0.92 116.94 120.52 1q0g h PHE 36 Ca 0.09 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1q0g h PHE 36 Cb 0.46 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1q0g h PHE 36 CO 0.01 0.81 0.59 1.96 -2.23 0.00 0.00 178.31 179.46 1q0g h GLN 37 N 0.58 1.24 0.09 1.11 1.08 -0.65 0.24 115.11 118.79 1q0g h GLN 37 Ca 0.12 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1q0g h GLN 37 Cb 0.49 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1q0g h GLN 37 CO 0.02 0.84 -0.04 0.82 -0.95 0.00 0.00 178.83 179.52 1q0g h ILE 38 N 1.27 1.03 -0.72 2.54 2.04 -0.84 -1.21 117.51 121.61 1q0g h ILE 38 Ca 0.34 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1q0g h ILE 38 Cb -0.11 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1q0g h ILE 38 CO -0.07 0.11 0.41 0.03 0.00 0.00 0.00 178.15 178.63 1q0g h ARG 39 N -0.32 1.00 -0.70 2.37 3.08 -0.87 -0.42 114.38 118.52 1q0g h ARG 39 Ca -0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1q0g h ARG 39 Cb 0.27 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1q0g h ARG 39 CO 0.02 0.73 0.43 0.00 -1.07 0.00 0.00 179.97 180.09 1q0g h ALA 40 N 1.21 0.89 -0.32 0.04 0.00 -0.47 -0.41 119.26 120.20 1q0g h ALA 40 Ca 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1q0g h ALA 40 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1q0g h ALA 40 CO -0.04 0.35 0.03 1.15 0.00 0.00 0.00 179.25 180.74 1q0g h THR 41 N 0.95 1.25 -0.25 0.00 2.02 -0.77 -0.05 112.91 116.06 1q0g h THR 41 Ca 0.25 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1q0g h THR 41 Cb -0.05 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1q0g h THR 41 CO -0.05 0.29 0.17 0.58 0.37 0.00 0.00 175.52 176.88 1q0g h VAL 42 N 0.37 1.07 -0.33 3.16 2.07 -0.82 -1.73 116.25 120.03 1q0g h VAL 42 Ca 0.10 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 1q0g h VAL 42 Cb 0.39 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1q0g h VAL 42 CO 0.01 0.06 -0.45 0.40 0.02 0.00 0.00 177.57 177.61 1q0g h ILE 43 N 0.34 1.28 -0.83 4.57 2.04 -1.04 -2.66 117.51 121.21 1q0g h ILE 43 Ca 0.09 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1q0g h ILE 43 Cb -0.04 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1q0g h ILE 43 CO -0.02 0.54 0.49 0.50 0.00 0.00 0.00 178.15 179.66 1q0g h LYS 44 N 0.68 1.13 -0.48 2.37 3.64 -0.89 -0.95 116.57 122.07 1q0g h LYS 44 Ca 0.04 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1q0g h LYS 44 Cb 1.04 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1q0g h LYS 44 CO 0.10 0.80 0.29 1.49 -2.27 0.00 0.00 179.45 179.86 1q0g h GLU 45 N 1.15 0.66 -0.29 1.90 4.57 -1.14 -1.00 114.58 120.43 1q0g h GLU 45 Ca 0.30 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1q0g h GLU 45 Cb -0.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1q0g h GLU 45 CO -0.05 0.48 0.06 1.96 -1.18 0.00 0.00 179.01 180.27 1q0g h GLN 46 N 0.65 0.47 -0.26 1.92 4.20 -1.04 -1.86 115.11 119.18 1q0g h GLN 46 Ca 0.17 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1q0g h GLN 46 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1q0g h GLN 46 CO -0.03 0.56 -0.31 0.00 -0.67 0.00 0.00 178.83 178.38 1q0g h ARG 47 N 0.29 0.54 -0.62 1.46 2.47 -1.06 -2.09 114.38 115.38 1q0g h ARG 47 Ca 0.09 -0.24 -0.09 0.00 -1.26 0.00 0.00 59.98 58.48 1q0g h ARG 47 Cb 0.31 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1q0g h ARG 47 CO 0.00 0.79 0.03 0.00 0.56 0.00 0.00 179.97 181.36 1q0g h ALA 48 N 1.20 0.89 -0.61 0.04 0.00 -1.11 -1.38 119.26 118.29 1q0g h ALA 48 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1q0g h ALA 48 Cb 0.78 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1q0g h ALA 48 CO 0.06 0.66 0.28 1.49 0.00 0.00 0.00 179.25 181.74 1q0g h GLU 49 N 0.98 0.88 -0.68 0.00 4.57 -1.07 -0.82 114.58 118.44 1q0g h GLU 49 Ca 0.18 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1q0g h GLU 49 Cb 0.52 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1q0g h GLU 49 CO 0.02 0.72 0.19 -0.07 -1.18 0.00 0.00 179.01 178.70 1q0g h LEU 50 N 0.83 0.99 -0.65 1.64 3.38 -1.13 -0.90 115.31 119.47 1q0g h LEU 50 Ca 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1q0g h LEU 50 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1q0g h LEU 50 CO -0.02 0.94 0.24 0.00 0.09 0.00 0.00 178.44 179.69 1q0g h ALA 51 N 1.19 0.85 -0.69 1.53 0.00 -0.83 -0.81 119.26 120.50 1q0g h ALA 51 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1q0g h ALA 51 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1q0g h ALA 51 CO -0.00 0.48 0.36 0.87 0.00 0.00 0.00 179.25 180.95 1q0g h LYS 52 N 0.92 0.97 -0.25 0.00 1.57 -0.74 -1.90 116.57 117.15 1q0g h LYS 52 Ca 0.21 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1q0g h LYS 52 Cb 0.24 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1q0g h LYS 52 CO -0.01 0.75 0.15 1.25 -0.57 0.00 0.00 179.45 181.01 1q0g h HIS 53 N 0.95 0.27 -0.90 -1.35 2.76 -0.68 0.54 115.15 116.74 1q0g h HIS 53 Ca 0.24 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 1q0g h HIS 53 Cb 0.08 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 28.90 1q0g h HIS 53 CO -0.00 0.16 0.58 0.45 -1.30 0.00 0.00 177.93 177.83 1q0g h HIS 54 N 0.30 1.09 -0.48 5.26 3.86 -0.84 -0.53 115.15 123.81 1q0g h HIS 54 Ca 0.10 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 1q0g h HIS 54 Cb -0.01 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1q0g h HIS 54 CO -0.08 0.64 -0.21 -0.07 0.86 0.00 0.00 177.93 179.07 1q0g h LEU 55 N 1.14 1.02 -1.09 2.43 3.38 -0.99 -2.27 115.31 118.93 1q0g h LEU 55 Ca 0.35 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1q0g h LEU 55 Cb -0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 1q0g h LEU 55 CO -0.11 1.19 0.62 0.44 0.09 0.00 0.00 178.44 180.67 1q0g h ASP 56 N 0.85 1.01 -0.51 -0.43 3.32 -0.21 -1.21 116.42 119.24 1q0g h ASP 56 Ca 0.11 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1q0g h ASP 56 Cb 0.80 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1q0g h ASP 56 CO 0.07 0.69 0.04 0.58 -1.72 0.00 0.00 179.24 178.90 1q0g h VAL 57 N 1.17 1.26 -0.51 -1.35 2.07 -0.83 0.15 116.25 118.22 1q0g h VAL 57 Ca 0.38 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1q0g h VAL 57 Cb 0.03 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1q0g h VAL 57 CO -0.12 0.36 0.28 -0.07 0.02 0.00 0.00 177.57 178.04 1q0g h LEU 58 N 0.74 0.63 -0.33 2.57 3.38 -0.84 0.17 115.31 121.63 1q0g h LEU 58 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1q0g h LEU 58 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1q0g h LEU 58 CO 0.02 0.54 0.01 -0.25 0.09 0.00 0.00 178.44 178.85 1q0g h TRP 59 N 0.68 0.63 0.11 1.13 7.01 -1.00 0.01 115.95 124.52 1q0g h TRP 59 Ca 0.18 -0.10 -0.28 0.00 2.11 0.00 0.00 58.89 60.79 1q0g h TRP 59 Cb 0.04 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1q0g h TRP 59 CO -0.02 0.69 -1.37 0.66 -2.79 0.00 0.00 178.44 175.61 1q0g h SER 60 N 0.39 0.35 0.00 2.65 4.64 -0.63 -3.39 113.55 117.56 1q0g h SER 60 Ca 0.10 -0.43 -0.35 0.00 -0.47 0.00 0.00 61.79 60.64 1q0g h SER 60 Cb 0.43 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1q0g h SER 60 CO 0.01 1.35 -2.18 0.47 -0.87 0.00 0.00 176.83 175.62 1q0g n ASP 61 N -3.46 1.61 0.03 4.97 9.92 0.59 -4.83 116.55 125.37 1q0g n ASP 61 Ca -0.12 0.21 -0.08 0.00 -0.53 0.00 0.00 54.79 54.28 1q0g n ASP 61 Cb 1.03 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 40.86 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 -0.67 -0.16 -2.93 1.24 3.20 -1.28 -3.44 116.97 112.92 1q0g h TYR 62 Ca -0.53 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.81 1q0g h TYR 62 Cb 1.50 0.05 0.03 0.00 1.54 0.00 0.00 36.73 39.85 1q0g h TYR 62 CO -0.06 0.21 0.79 -0.06 -1.64 0.00 0.00 178.16 177.40 1q0g s PHE 63 N -2.73 3.11 0.41 -3.82 0.08 -0.07 -5.01 117.98 109.95 1q0g s PHE 63 Ca -0.10 0.82 0.07 0.00 0.12 0.00 0.00 56.93 57.85 1q0g s PHE 63 Cb -0.00 -3.76 -0.06 0.00 -0.57 0.00 0.00 43.02 38.63 1q0g s PHE 63 CO 0.35 -2.73 0.14 0.15 -0.10 0.00 0.00 175.22 173.03 1q0g s LYS 64 N 1.34 2.18 0.29 0.44 1.02 -1.26 -4.78 119.74 118.97 1q0g s LYS 64 Ca 0.66 -1.88 0.02 0.00 0.02 0.00 0.00 55.97 54.79 1q0g s LYS 64 Cb -0.38 -1.92 0.71 0.00 -0.52 0.00 0.00 37.83 35.72 1q0g s LYS 64 CO 0.30 -0.09 1.63 -1.35 -0.92 0.00 0.00 175.35 174.92 1q0g h PRO 65 N 1.50 0.16 -0.66 -1.68 0.11 -1.99 0.39 132.00 129.82 1q0g h PRO 65 Ca -0.43 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1q0g h PRO 65 Cb 1.25 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1q0g h PRO 65 CO 0.72 0.11 0.44 -1.35 -0.21 0.00 0.00 178.00 177.70 1q0g h PRO 66 N 0.17 0.74 -0.36 1.05 0.11 -1.99 -1.21 132.00 130.50 1q0g h PRO 66 Ca 0.55 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.54 1q0g h PRO 66 Cb 1.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1q0g h PRO 66 CO -0.69 0.49 -0.10 0.45 -0.21 0.00 0.00 178.00 177.93 1q0g h HIS 67 N 0.76 0.81 0.00 0.65 3.86 -1.32 -1.09 115.15 118.81 1q0g h HIS 67 Ca 0.27 -0.18 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1q0g h HIS 67 Cb 0.13 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1q0g h HIS 67 CO -0.00 0.87 -0.26 0.74 0.86 0.00 0.00 177.93 180.14 1q0g h PHE 68 N 0.51 0.00 -0.06 2.45 0.04 -1.07 0.11 116.94 118.91 1q0g h PHE 68 Ca 0.09 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.67 1q0g h PHE 68 Cb 0.62 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.78 1q0g h PHE 68 CO 0.05 0.26 -0.71 0.93 -0.60 0.00 0.00 178.31 178.24 1q0g h GLU 69 N 0.00 0.60 -0.05 1.51 5.08 -0.96 -2.98 114.58 117.78 1q0g h GLU 69 Ca -0.00 -0.56 -0.13 0.00 -1.00 0.00 0.00 59.36 57.67 1q0g h GLU 69 Cb 0.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1q0g h GLU 69 CO 0.03 1.18 -0.55 0.77 -1.00 0.00 0.00 179.01 179.44 1q0g h SER 70 N 0.22 0.17 -3.02 1.42 0.02 -0.86 -3.36 113.55 108.15 1q0g h SER 70 Ca -0.07 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.17 1q0g h SER 70 Cb 1.37 -0.05 -0.41 0.00 0.14 0.00 0.00 62.40 63.45 1q0g h SER 70 CO 0.14 0.68 -0.66 -0.31 -1.14 0.00 0.00 176.83 175.55 1q0g s TYR 71 N -3.84 3.05 0.38 3.45 1.51 0.34 -4.96 117.35 117.27 1q0g s TYR 71 Ca -0.03 -3.12 0.32 0.00 -1.01 0.00 0.00 57.07 53.23 1q0g s TYR 71 Cb 0.13 -2.35 1.75 0.00 -0.11 0.00 0.00 41.96 41.38 1q0g s TYR 71 CO 0.78 -0.61 1.98 -1.00 -1.11 0.00 0.00 175.55 175.58 1q0g h PRO 72 N 5.52 0.00 -0.02 -1.71 0.13 -1.68 -0.97 132.00 133.27 1q0g h PRO 72 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1q0g h PRO 72 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1q0g h PRO 72 CO 0.64 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.75 1q0g n GLU 73 N -2.72 1.95 -0.18 0.86 -0.58 -1.26 -4.51 120.64 114.20 1q0g n GLU 73 Ca -0.02 -1.48 -0.06 0.00 -0.42 0.00 0.00 57.16 55.17 1q0g n GLU 73 Cb 0.16 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 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 3.62 0.59 -0.25 -4.62 5.85 -1.50 -0.71 115.31 118.29 1q0g h LEU 74 Ca 0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1q0g h LEU 74 Cb 0.80 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1q0g h LEU 74 CO 0.00 0.42 -0.01 0.45 -0.34 0.00 0.00 178.44 178.96 1q0g h HIS 75 N 0.70 -0.03 -0.69 1.25 3.86 -1.80 -1.03 115.15 117.41 1q0g h HIS 75 Ca 0.20 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1q0g h HIS 75 Cb -0.05 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1q0g h HIS 75 CO -0.05 -0.05 0.34 1.15 0.86 0.00 0.00 177.93 180.19 1q0g h THR 76 N 0.07 1.23 -0.09 2.45 2.02 -1.81 -1.03 112.91 115.75 1q0g h THR 76 Ca 0.12 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1q0g h THR 76 Cb 0.15 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1q0g h THR 76 CO -0.20 0.26 0.02 0.25 0.37 0.00 0.00 175.52 176.22 1q0g h LEU 77 N 0.96 0.01 -0.60 2.58 5.85 -0.61 0.18 115.31 123.67 1q0g h LEU 77 Ca 0.24 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1q0g h LEU 77 Cb 0.10 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1q0g h LEU 77 CO -0.03 0.02 -0.14 0.58 -0.34 0.00 0.00 178.44 178.53 1q0g h VAL 78 N 0.06 1.27 -0.79 1.05 2.07 -1.11 -0.74 116.25 118.05 1q0g h VAL 78 Ca 0.04 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1q0g h VAL 78 Cb 0.03 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1q0g h VAL 78 CO -0.05 0.45 0.31 -1.13 0.02 0.00 0.00 177.57 177.17 1q0g h ASN 79 N 0.85 1.09 0.12 0.57 -0.73 -0.85 -1.43 115.58 115.19 1q0g h ASN 79 Ca 0.13 -0.17 -0.12 0.00 1.87 0.00 0.00 56.30 58.01 1q0g h ASN 79 Cb 0.69 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 1q0g h ASN 79 CO 0.05 0.97 -0.42 -0.33 -0.37 0.00 0.00 177.43 177.33 1q0g h GLU 80 N 1.15 0.38 -0.18 6.67 5.08 -0.43 -1.89 114.58 125.37 1q0g h GLU 80 Ca 0.26 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1q0g h GLU 80 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1q0g h GLU 80 CO -0.02 0.74 0.05 0.00 -1.00 0.00 0.00 179.01 178.77 1q0g h ALA 81 N 1.24 0.23 -0.23 3.43 0.00 -0.56 0.38 119.26 123.75 1q0g h ALA 81 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1q0g h ALA 81 Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1q0g h ALA 81 CO 0.07 -0.13 -0.31 -0.39 0.00 0.00 0.00 179.25 178.49 1q0g h VAL 82 N 0.10 1.28 -0.19 0.00 -1.51 -1.23 -2.01 116.25 112.69 1q0g h VAL 82 Ca 0.06 -1.37 -0.09 0.00 -1.23 0.00 0.00 66.70 64.07 1q0g h VAL 82 Cb 0.25 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1q0g h VAL 82 CO -0.00 0.43 -0.28 0.11 -1.23 0.00 0.00 177.57 176.60 1q0g h LYS 83 N 0.41 0.36 -0.43 5.19 1.57 -1.17 -1.56 116.57 120.94 1q0g h LYS 83 Ca 0.05 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1q0g h LYS 83 Cb 0.74 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1q0g h LYS 83 CO 0.06 0.61 -0.08 0.00 -0.57 0.00 0.00 179.45 179.47 1q0g h ALA 84 N 1.40 1.07 -0.41 3.86 0.00 -0.42 -1.00 119.26 123.76 1q0g h ALA 84 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1q0g h ALA 84 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1q0g h ALA 84 CO 0.05 0.57 -0.19 -0.07 0.00 0.00 0.00 179.25 179.61 1q0g h LEU 85 N 0.68 0.79 -0.96 0.00 3.38 -0.82 -0.41 115.31 117.96 1q0g h LEU 85 Ca 0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1q0g h LEU 85 Cb 0.53 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1q0g h LEU 85 CO 0.03 0.98 0.15 0.28 0.09 0.00 0.00 178.44 179.96 1q0g h SER 86 N 0.69 0.84 -0.02 -0.43 0.02 -0.80 -1.32 113.55 112.53 1q0g h SER 86 Ca 0.10 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1q0g h SER 86 Cb 0.70 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1q0g h SER 86 CO 0.05 0.82 -0.26 0.00 -1.14 0.00 0.00 176.83 176.31 1q0g h ALA 87 N 1.29 1.13 -0.14 3.77 0.00 -0.67 -2.66 119.26 121.98 1q0g h ALA 87 Ca 0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1q0g h ALA 87 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1q0g h ALA 87 CO -0.00 0.55 -0.42 0.00 0.00 0.00 0.00 179.25 179.37 1q0g h ALA 88 N 1.34 1.01 -0.94 0.00 0.00 -0.39 -2.59 119.26 117.70 1q0g h ALA 88 Ca 0.06 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1q0g h ALA 88 Cb 0.66 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1q0g h ALA 88 CO 0.05 0.62 0.58 0.87 0.00 0.00 0.00 179.25 181.36 1q0g h LYS 89 N 0.27 1.26 -0.45 0.00 1.57 -0.92 -2.67 116.57 115.63 1q0g h LYS 89 Ca 0.02 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1q0g h LYS 89 Cb 0.86 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1q0g h LYS 89 CO 0.07 0.87 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 1q0g n ALA 90 N -2.38 2.63 -2.58 3.86 0.00 -1.00 -4.88 120.51 116.16 1q0g n ALA 90 Ca 0.10 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.86 1q0g n ALA 90 Cb 0.05 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.80 0.53 0.00 0.00 0.15 -1.01 -5.01 113.70 107.56 1q0g s SER 91 Ca 0.20 -0.73 0.16 0.00 0.70 0.00 0.00 55.95 56.29 1q0g s SER 91 Cb 0.12 0.12 0.11 0.00 -1.71 0.00 0.00 66.02 64.66 1q0g s SER 91 CO 0.11 -0.40 0.99 0.35 1.20 0.00 0.00 173.24 175.49 1q0g n THR 92 N 0.91 0.00 -2.62 6.45 -2.24 -1.26 -4.88 114.28 110.64 1q0g n THR 92 Ca -0.19 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 1q0g n THR 92 Cb 0.58 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.10 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 -1.40 6.94 0.62 3.42 -1.08 -1.26 -4.72 116.67 119.20 1q0g s ASP 93 Ca 0.18 1.14 0.31 0.00 -0.52 0.00 0.00 52.55 53.65 1q0g s ASP 93 Cb 0.13 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.72 1q0g s ASP 93 CO 0.22 -0.86 2.00 -0.65 0.52 0.00 0.00 175.17 176.41 1q0g h PRO 94 N 8.09 0.00 -0.21 4.34 0.11 -1.90 -0.17 132.00 142.26 1q0g h PRO 94 Ca -0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 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 1.02 0.00 0.07 0.00 -0.21 0.00 0.00 178.00 178.88 1q0g h ALA 95 N 1.54 1.73 -0.28 -0.75 0.00 -1.97 0.16 119.26 119.69 1q0g h ALA 95 Ca 0.08 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1q0g h ALA 95 Cb 0.70 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1q0g h ALA 95 CO -0.00 0.21 -0.55 1.79 0.00 0.00 0.00 179.25 180.71 1q0g h THR 96 N 0.29 1.28 -0.62 0.00 1.35 -1.41 -1.22 112.91 112.58 1q0g h THR 96 Ca 0.07 -1.73 -0.06 0.00 -0.55 0.00 0.00 66.41 64.13 1q0g h THR 96 Cb 0.09 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.12 1q0g h THR 96 CO -0.01 0.56 0.13 1.23 -0.25 0.00 0.00 175.52 177.19 1q0g h GLY 97 N 0.73 1.05 1.00 5.82 0.00 -1.48 -2.74 103.07 107.45 1q0g h GLY 97 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1q0g h GLY 97 CO 0.12 0.61 0.24 -1.61 0.00 0.00 0.00 176.54 175.90 1q0g h GLN 98 N 0.93 0.91 -0.92 4.80 5.75 -0.74 -1.92 115.11 123.91 1q0g h GLN 98 Ca 0.19 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1q0g h GLN 98 Cb 0.36 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 1q0g h GLN 98 CO 0.00 0.78 0.61 -0.22 -2.65 0.00 0.00 178.83 177.35 1q0g h LYS 99 N 0.85 1.20 -0.44 1.69 3.64 -0.96 0.43 116.57 122.97 1q0g h LYS 99 Ca 0.20 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1q0g h LYS 99 Cb 0.21 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1q0g h LYS 99 CO -0.02 0.79 0.16 0.00 -2.27 0.00 0.00 179.45 178.11 1q0g h ALA 100 N 1.35 0.58 -0.79 5.00 0.00 -1.21 -2.20 119.26 121.98 1q0g h ALA 100 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1q0g h ALA 100 Cb -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1q0g h ALA 100 CO -0.08 0.21 0.46 -0.07 0.00 0.00 0.00 179.25 179.77 1q0g h LEU 101 N 0.57 0.95 -0.63 0.00 3.38 -0.65 -1.12 115.31 117.81 1q0g h LEU 101 Ca 0.14 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1q0g h LEU 101 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1q0g h LEU 101 CO -0.01 0.74 0.01 0.44 0.09 0.00 0.00 178.44 179.72 1q0g h ASP 102 N 1.09 1.06 -0.43 -0.43 3.32 -0.57 -0.81 116.42 119.64 1q0g h ASP 102 Ca 0.28 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 1q0g h ASP 102 Cb -0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1q0g h ASP 102 CO -0.05 1.10 -0.19 1.88 -1.72 0.00 0.00 179.24 180.26 1q0g h TYR 103 N 0.99 1.06 -0.91 4.55 0.05 -1.02 -2.51 116.97 119.18 1q0g h TYR 103 Ca 0.18 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1q0g h TYR 103 Cb 0.55 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 1q0g h TYR 103 CO 0.04 1.03 0.52 0.82 -1.05 0.00 0.00 178.16 179.52 1q0g h ILE 104 N 0.81 1.26 -0.39 -2.88 2.04 -0.92 -1.18 117.51 116.25 1q0g h ILE 104 Ca 0.11 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1q0g h ILE 104 Cb 0.74 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1q0g h ILE 104 CO 0.06 0.28 0.02 0.00 0.00 0.00 0.00 178.15 178.50 1q0g h ALA 105 N 1.31 1.31 -0.55 1.87 0.00 -0.93 0.14 119.26 122.41 1q0g h ALA 105 Ca 0.32 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1q0g h ALA 105 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1q0g h ALA 105 CO -0.06 0.47 -0.05 1.96 0.00 0.00 0.00 179.25 181.57 1q0g h GLN 106 N 0.58 1.00 -0.46 0.00 4.20 -0.89 -2.02 115.11 117.51 1q0g h GLN 106 Ca 0.12 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 1q0g h GLN 106 Cb 0.34 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1q0g h GLN 106 CO 0.01 1.03 -0.15 0.82 -0.67 0.00 0.00 178.83 179.87 1q0g h ILE 107 N 0.88 1.27 -0.64 2.54 2.04 -0.56 -2.66 117.51 120.38 1q0g h ILE 107 Ca 0.15 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1q0g h ILE 107 Cb 0.61 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1q0g h ILE 107 CO 0.04 0.44 0.36 -0.78 0.00 0.00 0.00 178.15 178.20 1q0g h ASP 108 N 0.78 0.80 -0.44 1.72 1.82 -0.55 0.77 116.42 121.32 1q0g h ASP 108 Ca 0.12 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1q0g h ASP 108 Cb 0.68 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1q0g h ASP 108 CO 0.05 0.65 0.24 0.50 -1.61 0.00 0.00 179.24 179.08 1q0g h LYS 109 N 0.87 0.62 -0.60 0.28 3.64 -1.22 -1.83 116.57 118.33 1q0g h LYS 109 Ca 0.23 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1q0g h LYS 109 Cb 0.03 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1q0g h LYS 109 CO -0.04 0.49 0.18 0.82 -2.27 0.00 0.00 179.45 178.63 1q0g h ILE 110 N 0.58 1.25 0.10 2.00 2.04 -1.14 -2.25 117.51 120.09 1q0g h ILE 110 Ca 0.16 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1q0g h ILE 110 Cb 0.05 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1q0g h ILE 110 CO -0.02 0.32 -0.32 0.15 0.00 0.00 0.00 178.15 178.28 1q0g h PHE 111 N 0.87 -0.88 0.00 1.37 3.57 -0.50 -1.41 116.94 119.96 1q0g h PHE 111 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1q0g h PHE 111 Cb 0.31 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1q0g h PHE 111 CO 0.02 -0.43 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.01 1q0g h TRP 112 N -0.53 0.00 -0.50 0.41 4.06 -1.27 -1.92 115.95 116.20 1q0g h TRP 112 Ca 0.04 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.86 1q0g h TRP 112 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1q0g h TRP 112 CO -0.30 0.18 -0.19 0.93 -3.56 0.00 0.00 178.44 175.50 1q0g h GLU 113 N 0.00 1.00 0.00 0.49 5.08 -0.77 -1.85 114.58 118.53 1q0g h GLU 113 Ca -0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1q0g h GLU 113 Cb 0.38 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1q0g h GLU 113 CO 0.02 1.09 -0.10 1.79 -1.00 0.00 0.00 179.01 180.81 1q0g h THR 114 N 0.87 0.24 0.04 1.13 1.35 -0.55 -2.96 112.91 113.03 1q0g h THR 114 Ca 0.12 -0.89 -0.23 0.00 -0.55 0.00 0.00 66.41 64.86 1q0g h THR 114 Cb 0.76 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1q0g h THR 114 CO 0.06 0.10 -1.02 0.11 -0.25 0.00 0.00 175.52 174.53 1q0g h LYS 115 N 0.00 0.26 -0.28 4.72 1.79 -0.97 -3.28 116.57 118.81 1q0g h LYS 115 Ca -0.00 -0.33 -0.11 0.00 -2.18 0.00 0.00 60.65 58.03 1q0g h LYS 115 Cb 0.72 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1q0g h LYS 115 CO 0.01 1.08 -0.24 1.57 -1.08 0.00 0.00 179.45 180.79 1q0g h LYS 116 N 0.12 0.66 0.00 3.15 -0.00 -1.21 -3.51 116.57 115.77 1q0g h LYS 116 Ca -0.08 -0.33 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 1q0g h LYS 116 Cb 1.69 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.92 1q0g h LYS 116 CO 0.16 0.94 0.00 0.00 -0.00 0.00 0.00 179.45 180.55