#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6i s VAL 8 N 0.00 4.52 0.22 1.61 1.01 -1.26 -5.12 120.40 121.37 1t6i s VAL 8 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1t6i s VAL 8 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1t6i s VAL 8 CO 0.00 0.55 0.05 -0.31 0.00 0.00 0.00 175.10 175.39 1t6i s TYR 9 N -0.38 2.88 -0.29 5.22 1.51 -1.26 -5.14 117.35 119.89 1t6i s TYR 9 Ca 0.08 -0.15 -0.20 0.00 -1.01 0.00 0.00 57.07 55.79 1t6i s TYR 9 Cb -0.12 -1.33 0.14 0.00 -0.11 0.00 0.00 41.96 40.54 1t6i s TYR 9 CO 0.02 0.55 1.04 0.34 -1.11 0.00 0.00 175.55 176.39 1t6i s ASP 10 N -3.37 -0.43 0.00 2.29 -1.08 -1.26 -5.04 116.67 107.78 1t6i s ASP 10 Ca 0.30 0.74 0.24 0.00 -0.52 0.00 0.00 52.55 53.31 1t6i s ASP 10 Cb -0.08 1.00 1.35 0.00 -1.46 0.00 0.00 42.92 43.73 1t6i s ASP 10 CO 0.21 -0.12 1.80 -2.65 0.52 0.00 0.00 175.17 174.92 1t6i n PRO 11 N 3.01 0.60 0.30 4.34 -0.02 -1.26 -3.15 135.00 138.82 1t6i n PRO 11 Ca -0.16 0.03 0.19 0.00 -2.02 0.00 0.00 63.50 61.54 1t6i n PRO 11 Cb 0.57 -1.50 0.91 0.00 -0.02 0.00 0.00 33.50 33.46 1t6i n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t6i h ALA 12 N 3.36 1.02 0.05 3.55 0.00 -1.98 0.87 119.26 126.13 1t6i h ALA 12 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1t6i h ALA 12 Cb 0.08 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1t6i h ALA 12 CO 0.00 0.01 -1.08 1.96 0.00 0.00 0.00 179.25 180.14 1t6i h GLN 13 N 0.00 0.64 -0.19 0.00 4.20 -1.99 -2.59 115.11 115.18 1t6i h GLN 13 Ca -0.00 -0.76 -0.19 0.00 0.06 0.00 0.00 58.65 57.77 1t6i h GLN 13 Cb 0.29 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1t6i h GLN 13 CO 0.00 1.33 -0.63 0.00 -0.67 0.00 0.00 178.83 178.87 1t6i h ALA 14 N 0.33 0.53 -0.42 3.87 0.00 -1.53 -3.13 119.26 118.92 1t6i h ALA 14 Ca -0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1t6i h ALA 14 Cb 1.75 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1t6i h ALA 14 CO 0.21 0.70 0.08 -0.09 0.00 0.00 0.00 179.25 180.15 1t6i h ARG 15 N 0.50 0.69 -0.23 0.00 2.43 -0.91 -2.08 114.38 114.78 1t6i h ARG 15 Ca -0.01 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1t6i h ARG 15 Cb 1.21 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1t6i h ARG 15 CO 0.12 0.72 -0.38 0.97 -1.51 0.00 0.00 179.97 179.90 1t6i h ILE 16 N 0.55 1.30 0.00 1.20 2.10 -1.51 0.29 117.51 121.44 1t6i h ILE 16 Ca 0.13 -1.52 -0.05 0.00 1.08 0.00 0.00 64.86 64.50 1t6i h ILE 16 Cb 0.36 1.53 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 1t6i h ILE 16 CO 0.01 0.48 -0.24 -0.33 -1.08 0.00 0.00 178.15 176.98 1t6i h GLU 17 N 0.44 0.00 0.00 2.19 4.39 -1.55 -2.12 114.58 117.92 1t6i h GLU 17 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1t6i h GLU 17 Cb 0.86 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1t6i h GLU 17 CO 0.07 0.24 -0.85 0.00 -1.16 0.00 0.00 179.01 177.32 1t6i h ALA 18 N 1.76 0.61 0.00 3.43 0.00 -1.00 -3.11 119.26 120.94 1t6i h ALA 18 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1t6i h ALA 18 Cb 1.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1t6i h ALA 18 CO 0.03 0.12 -0.71 1.49 0.00 0.00 0.00 179.25 180.18 1t6i h GLU 19 N 0.00 0.00 -0.02 0.00 4.57 -0.26 -3.23 114.58 115.64 1t6i h GLU 19 Ca -0.02 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 1t6i h GLU 19 Cb 1.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1t6i h GLU 19 CO 0.01 0.38 -0.78 0.77 -1.18 0.00 0.00 179.01 178.21 1t6i h SER 20 N 0.00 0.22 -0.32 1.04 0.02 -1.39 -2.00 113.55 111.12 1t6i h SER 20 Ca -0.04 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1t6i h SER 20 Cb 1.38 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1t6i h SER 20 CO 0.05 0.91 -0.00 0.58 -1.14 0.00 0.00 176.83 177.22 1t6i h VAL 21 N 0.11 1.26 -0.37 2.27 2.07 -1.57 -1.69 116.25 118.33 1t6i h VAL 21 Ca -0.03 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.40 1t6i h VAL 21 Cb 1.36 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1t6i h VAL 21 CO 0.12 0.31 -0.30 0.50 0.02 0.00 0.00 177.57 178.22 1t6i h LYS 22 N 0.36 0.80 -0.36 1.57 3.64 -1.57 -2.33 116.57 118.68 1t6i h LYS 22 Ca 0.09 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 1t6i h LYS 22 Cb 0.45 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1t6i h LYS 22 CO 0.02 0.99 0.06 0.00 -2.27 0.00 0.00 179.45 178.25 1t6i h ALA 23 N 0.99 1.44 -0.06 5.00 0.00 -1.24 -2.17 119.26 123.22 1t6i h ALA 23 Ca 0.08 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1t6i h ALA 23 Cb 0.83 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1t6i h ALA 23 CO 0.07 0.40 -0.65 0.28 0.00 0.00 0.00 179.25 179.35 1t6i h VAL 24 N 0.52 1.36 0.00 0.00 2.07 -1.17 -3.10 116.25 115.93 1t6i h VAL 24 Ca 0.12 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 1t6i h VAL 24 Cb 0.24 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1t6i h VAL 24 CO 0.00 0.60 -0.11 1.56 0.02 0.00 0.00 177.57 179.63 1t6i h GLN 25 N 0.14 0.00 0.04 1.57 4.20 -1.10 -2.17 115.11 117.78 1t6i h GLN 25 Ca -0.06 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 1t6i h GLN 25 Cb 1.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1t6i h GLN 25 CO 0.13 0.11 -1.07 0.93 -0.67 0.00 0.00 178.83 178.27 1t6i h GLU 26 N 0.00 0.08 -2.04 1.46 5.08 -1.44 -3.30 114.58 114.43 1t6i h GLU 26 Ca -0.00 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1t6i h GLU 26 Cb 0.24 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1t6i h GLU 26 CO 0.01 1.06 -0.06 1.63 -1.00 0.00 0.00 179.01 180.66 1t6i n LYS 27 N -3.41 1.03 0.00 2.33 5.02 -0.82 -4.14 118.16 118.17 1t6i n LYS 27 Ca -0.03 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1t6i n LYS 27 Cb 0.96 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 1t6i n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t6i n ALA 29 N 1.81 0.00 0.53 7.82 0.00 -1.24 -3.84 120.51 125.58 1t6i n ALA 29 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1t6i n ALA 29 Cb 0.50 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.27 1t6i n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1t6i h GLY 30 N 0.00 0.00 -2.25 0.00 0.00 -1.93 -3.47 103.07 95.41 1t6i h GLY 30 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1t6i h GLY 30 CO 0.00 0.00 -0.39 0.21 0.00 0.00 0.00 176.54 176.36 1t6i s ASN 31 N -4.84 5.12 0.00 0.19 3.84 -1.25 -5.05 114.94 112.96 1t6i s ASN 31 Ca 0.09 -0.68 0.00 0.00 0.21 0.00 0.00 52.86 52.48 1t6i s ASN 31 Cb 0.11 -0.65 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 1t6i s ASN 31 CO 0.63 -0.60 0.00 -0.90 -2.79 0.00 0.00 177.10 173.44 1t6i n ASP 32 N -1.53 0.00 -4.68 -4.21 3.85 -1.26 -5.06 116.55 103.67 1t6i n ASP 32 Ca 0.03 -0.00 -0.47 0.00 -0.71 0.00 0.00 54.79 53.63 1t6i n ASP 32 Cb 0.61 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.34 1t6i n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1t6i n ASP 33 N 0.00 3.49 -0.12 -1.12 4.64 -1.26 -4.90 116.55 117.28 1t6i n ASP 33 Ca 0.00 0.99 0.21 0.00 -1.38 0.00 0.00 54.79 54.60 1t6i n ASP 33 Cb 0.00 -1.40 0.62 0.00 -1.04 0.00 0.00 41.12 39.30 1t6i n ASP 33 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1t6i h PRO 34 N 8.76 0.16 0.08 -0.67 0.11 -1.99 -1.54 132.00 136.91 1t6i h PRO 34 Ca -0.48 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1t6i h PRO 34 Cb 1.26 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1t6i h PRO 34 CO 0.94 0.11 -0.58 1.25 -0.21 0.00 0.00 178.00 179.50 1t6i h HIS 35 N 0.17 0.43 -0.66 0.65 2.76 -1.99 -2.91 115.15 113.60 1t6i h HIS 35 Ca 0.36 -0.29 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1t6i h HIS 35 Cb 1.15 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.06 1t6i h HIS 35 CO -0.00 1.19 0.20 0.35 -1.30 0.00 0.00 177.93 178.37 1t6i h PHE 36 N -0.45 1.06 -0.61 5.26 3.04 -1.89 -1.68 116.94 121.66 1t6i h PHE 36 Ca -0.10 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 61.71 1t6i h PHE 36 Cb 1.41 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 39.59 1t6i h PHE 36 CO 0.20 0.86 0.23 1.96 -2.02 0.00 0.00 178.31 179.54 1t6i h GLN 37 N 0.95 0.92 -0.15 1.11 1.08 -1.41 -2.44 115.11 115.18 1t6i h GLN 37 Ca 0.21 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1t6i h GLN 37 Cb 0.30 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1t6i h GLN 37 CO -0.01 0.80 -0.00 1.15 -0.95 0.00 0.00 178.83 179.82 1t6i h THR 38 N 0.86 1.26 -0.96 -0.54 2.02 -1.34 -2.74 112.91 111.47 1t6i h THR 38 Ca 0.20 -0.85 0.06 0.00 0.77 0.00 0.00 66.41 66.59 1t6i h THR 38 Cb 0.23 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 1t6i h THR 38 CO -0.01 0.25 0.62 0.03 0.37 0.00 0.00 175.52 176.78 1t6i h ARG 39 N -0.00 1.08 -0.29 6.66 3.08 -1.24 -1.81 114.38 121.86 1t6i h ARG 39 Ca 0.04 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1t6i h ARG 39 Cb 0.38 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1t6i h ARG 39 CO 0.01 0.72 -0.18 0.00 -1.07 0.00 0.00 179.97 179.45 1t6i h ALA 40 N 1.48 1.15 -0.33 0.04 0.00 -1.36 -1.47 119.26 118.77 1t6i h ALA 40 Ca 0.41 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1t6i h ALA 40 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1t6i h ALA 40 CO -0.15 0.53 -0.44 1.15 0.00 0.00 0.00 179.25 180.34 1t6i h THR 41 N 0.48 1.28 -0.46 0.00 2.02 -1.04 0.28 112.91 115.46 1t6i h THR 41 Ca 0.08 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.56 1t6i h THR 41 Cb 0.58 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1t6i h THR 41 CO 0.04 0.53 -0.01 0.58 0.37 0.00 0.00 175.52 177.03 1t6i h VAL 42 N 0.67 1.26 -0.34 3.16 2.07 -1.15 -0.81 116.25 121.12 1t6i h VAL 42 Ca 0.04 -1.07 -0.17 0.00 0.82 0.00 0.00 66.70 66.32 1t6i h VAL 42 Cb 1.02 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1t6i h VAL 42 CO 0.10 0.37 -0.47 0.40 0.02 0.00 0.00 177.57 177.99 1t6i h ILE 43 N 0.67 1.27 -0.39 4.57 2.04 -1.11 -2.60 117.51 121.97 1t6i h ILE 43 Ca 0.13 -1.65 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 1t6i h ILE 43 Cb 0.51 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1t6i h ILE 43 CO 0.02 0.54 -0.13 0.50 0.00 0.00 0.00 178.15 179.09 1t6i h LYS 44 N 0.72 0.69 -0.38 2.37 3.64 -0.33 -0.56 116.57 122.73 1t6i h LYS 44 Ca 0.04 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1t6i h LYS 44 Cb 1.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1t6i h LYS 44 CO 0.11 0.80 -0.17 1.49 -2.27 0.00 0.00 179.45 179.41 1t6i h GLU 45 N 0.63 0.78 -0.08 1.90 4.57 -1.08 -1.51 114.58 119.80 1t6i h GLU 45 Ca 0.11 -0.33 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1t6i h GLU 45 Cb 0.58 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1t6i h GLU 45 CO 0.04 0.95 -0.13 1.96 -1.18 0.00 0.00 179.01 180.65 1t6i h GLN 46 N 0.58 0.22 0.00 1.92 4.20 -1.31 -2.56 115.11 118.16 1t6i h GLN 46 Ca 0.09 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1t6i h GLN 46 Cb 0.71 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1t6i h GLN 46 CO 0.05 0.72 -0.45 0.00 -0.67 0.00 0.00 178.83 178.47 1t6i h ARG 47 N -0.24 0.00 0.02 1.46 2.47 -1.16 -1.80 114.38 115.13 1t6i h ARG 47 Ca 0.01 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 1t6i h ARG 47 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 1t6i h ARG 47 CO 0.03 0.45 -0.92 0.00 0.56 0.00 0.00 179.97 180.09 1t6i h ALA 48 N 1.55 0.47 0.00 0.04 0.00 -1.32 -1.50 119.26 118.50 1t6i h ALA 48 Ca -0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 54.91 54.06 1t6i h ALA 48 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1t6i h ALA 48 CO 0.06 0.96 -0.42 1.49 0.00 0.00 0.00 179.25 181.35 1t6i h GLU 49 N 0.08 0.00 0.03 0.00 4.57 -1.24 -1.32 114.58 116.71 1t6i h GLU 49 Ca -0.05 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 1t6i h GLU 49 Cb 1.57 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.14 1t6i h GLU 49 CO 0.14 0.42 -1.17 -0.07 -1.18 0.00 0.00 179.01 177.14 1t6i h LEU 50 N 0.00 0.10 -0.60 1.64 3.38 -1.24 -2.66 115.31 115.93 1t6i h LEU 50 Ca -0.00 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1t6i h LEU 50 Cb 0.99 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1t6i h LEU 50 CO 0.05 1.10 -0.27 0.00 0.09 0.00 0.00 178.44 179.41 1t6i h ALA 51 N 0.89 0.78 0.00 1.53 0.00 -0.99 -2.54 119.26 118.93 1t6i h ALA 51 Ca -0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1t6i h ALA 51 Cb 1.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1t6i h ALA 51 CO 0.14 0.65 -0.34 0.87 0.00 0.00 0.00 179.25 180.57 1t6i h LYS 52 N 0.71 0.00 0.02 0.00 1.57 -1.25 -2.78 116.57 114.84 1t6i h LYS 52 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1t6i h LYS 52 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1t6i h LYS 52 CO 0.07 0.34 -0.01 1.25 -0.57 0.00 0.00 179.45 180.53 1t6i h HIS 53 N 0.00 -0.03 -0.78 -1.35 2.76 -1.16 -2.78 115.15 111.82 1t6i h HIS 53 Ca -0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1t6i h HIS 53 Cb 0.80 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.73 1t6i h HIS 53 CO 0.00 0.61 0.51 0.45 -1.30 0.00 0.00 177.93 178.20 1t6i h HIS 54 N -0.71 0.96 -0.18 5.26 3.86 -1.44 0.40 115.15 123.30 1t6i h HIS 54 Ca -0.00 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 1t6i h HIS 54 Cb 0.65 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1t6i h HIS 54 CO 0.15 0.60 -0.49 0.28 0.86 0.00 0.00 177.93 179.32 1t6i h VAL 55 N 1.03 1.32 -0.04 2.45 2.07 -1.58 -2.31 116.25 119.19 1t6i h VAL 55 Ca 0.29 -1.72 -0.18 0.00 0.82 0.00 0.00 66.70 65.91 1t6i h VAL 55 Cb -0.08 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1t6i h VAL 55 CO -0.07 0.53 -0.76 -1.28 0.02 0.00 0.00 177.57 176.01 1t6i h SER 56 N 0.37 0.36 -0.47 0.57 0.87 -1.07 -3.03 113.55 111.17 1t6i h SER 56 Ca 0.02 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.26 1t6i h SER 56 Cb 1.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1t6i h SER 56 CO 0.09 1.00 0.02 0.58 -0.53 0.00 0.00 176.83 177.99 1t6i h VAL 57 N 0.20 1.26 -0.75 2.23 2.07 -0.73 -2.16 116.25 118.36 1t6i h VAL 57 Ca -0.03 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1t6i h VAL 57 Cb 1.34 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1t6i h VAL 57 CO 0.12 0.35 0.40 -0.07 0.02 0.00 0.00 177.57 178.39 1t6i h LEU 58 N 0.66 0.94 -0.49 2.57 3.38 -1.40 0.35 115.31 121.33 1t6i h LEU 58 Ca 0.13 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1t6i h LEU 58 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1t6i h LEU 58 CO 0.02 0.77 -0.29 -0.25 0.09 0.00 0.00 178.44 178.78 1t6i h TRP 59 N 1.05 1.10 0.02 1.13 7.01 -1.38 -0.13 115.95 124.74 1t6i h TRP 59 Ca 0.26 -0.29 -0.33 0.00 2.11 0.00 0.00 58.89 60.65 1t6i h TRP 59 Cb 0.05 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 1t6i h TRP 59 CO 0.01 1.10 -1.80 -1.13 -2.79 0.00 0.00 178.44 173.83 1t6i n SER 60 N -4.09 1.93 0.09 2.65 3.41 -0.83 -4.37 113.62 112.41 1t6i n SER 60 Ca -0.01 0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.73 1t6i n SER 60 Cb 0.49 -0.88 -0.15 0.00 -0.26 0.00 0.00 64.21 63.41 1t6i n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1t6i h ASP 61 N -0.80 0.60 0.00 4.04 5.19 -0.47 -3.43 116.42 121.55 1t6i h ASP 61 Ca -0.48 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.13 1t6i h ASP 61 Cb 1.52 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1t6i h ASP 61 CO -0.23 1.66 -0.09 0.22 -3.12 0.00 0.00 179.24 177.68 1t6i h TYR 62 N 0.10 0.00 -2.00 4.55 3.20 -1.43 -3.46 116.97 117.92 1t6i h TYR 62 Ca -0.29 0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.00 1t6i h TYR 62 Cb 2.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.36 1t6i h TYR 62 CO 0.10 0.00 1.42 1.19 -1.64 0.00 0.00 178.16 179.23 1t6i n PHE 63 N -2.89 2.07 -2.38 -3.82 3.01 -0.09 -5.00 117.46 108.36 1t6i n PHE 63 Ca -0.01 -0.15 -0.24 0.00 1.01 0.00 0.00 57.45 58.05 1t6i n PHE 63 Cb 0.05 -2.73 0.06 0.00 -0.01 0.00 0.00 39.48 36.84 1t6i n PHE 63 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t6i s LYS 64 N 5.89 2.34 0.41 -1.08 1.02 -1.26 -4.71 119.74 122.34 1t6i s LYS 64 Ca 0.99 -0.47 0.16 0.00 0.02 0.00 0.00 55.97 56.66 1t6i s LYS 64 Cb -0.40 -2.30 1.04 0.00 -0.52 0.00 0.00 37.83 35.65 1t6i s LYS 64 CO 0.38 -1.03 1.87 -1.35 -0.92 0.00 0.00 175.35 174.30 1t6i h PRO 65 N -0.33 0.44 0.00 -1.68 0.11 -1.99 -2.57 132.00 125.98 1t6i h PRO 65 Ca -0.43 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1t6i h PRO 65 Cb 1.31 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1t6i h PRO 65 CO 0.57 0.29 -0.14 -1.35 -0.21 0.00 0.00 178.00 177.16 1t6i h PRO 66 N 0.45 0.00 0.00 1.05 0.11 -2.00 -2.64 132.00 128.96 1t6i h PRO 66 Ca 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 1t6i h PRO 66 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1t6i h PRO 66 CO -0.17 0.14 -0.13 0.45 -0.21 0.00 0.00 178.00 178.08 1t6i h HIS 67 N 0.00 0.00 0.00 0.65 3.86 -1.84 -0.74 115.15 117.07 1t6i h HIS 67 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1t6i h HIS 67 Cb 0.72 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 1t6i h HIS 67 CO 0.00 0.13 -0.85 0.74 0.86 0.00 0.00 177.93 178.80 1t6i h PHE 68 N 0.00 0.00 0.07 2.45 0.05 -1.52 -2.47 116.94 115.52 1t6i h PHE 68 Ca -0.00 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.67 1t6i h PHE 68 Cb 0.53 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.49 1t6i h PHE 68 CO 0.00 0.37 -0.56 0.93 -0.18 0.00 0.00 178.31 178.87 1t6i h GLU 69 N 0.00 0.15 -0.61 1.51 4.39 -1.36 -3.23 114.58 115.42 1t6i h GLU 69 Ca -0.06 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 1t6i h GLU 69 Cb 1.34 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 1t6i h GLU 69 CO 0.04 1.12 0.18 -0.22 -1.16 0.00 0.00 179.01 178.97 1t6i h LYS 70 N -0.67 0.93 -3.20 2.33 3.64 -1.28 -3.33 116.57 114.99 1t6i h LYS 70 Ca -0.11 -0.18 -0.63 0.00 -1.27 0.00 0.00 60.65 58.46 1t6i h LYS 70 Cb 1.36 -0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 32.63 1t6i h LYS 70 CO 0.05 0.81 -0.65 0.71 -2.27 0.00 0.00 179.45 178.10 1t6i s TYR 71 N -5.30 2.91 0.02 1.91 1.51 -0.93 -4.98 117.35 112.48 1t6i s TYR 71 Ca -0.10 -3.01 0.32 0.00 -1.01 0.00 0.00 57.07 53.27 1t6i s TYR 71 Cb 0.16 -2.52 1.44 0.00 -0.11 0.00 0.00 41.96 40.93 1t6i s TYR 71 CO 0.81 -0.72 1.95 -1.00 -1.11 0.00 0.00 175.55 175.49 1t6i h PRO 72 N 6.31 0.00 0.00 -1.71 0.13 -1.67 -3.10 132.00 131.96 1t6i h PRO 72 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1t6i h PRO 72 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1t6i h PRO 72 CO 0.64 0.00 -0.22 -0.85 -0.23 0.00 0.00 178.00 177.34 1t6i n GLU 73 N -2.77 0.24 -0.23 0.86 0.00 -1.26 -4.39 120.64 113.08 1t6i n GLU 73 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 57.16 57.33 1t6i n GLU 73 Cb 0.21 -1.73 0.14 0.00 0.00 0.00 0.00 31.44 30.07 1t6i n GLU 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1t6i h LEU 74 N 0.00 0.29 -0.06 -1.84 5.85 -1.90 -2.45 115.31 115.21 1t6i h LEU 74 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1t6i h LEU 74 Cb 0.71 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1t6i h LEU 74 CO 0.00 0.15 -0.06 0.45 -0.34 0.00 0.00 178.44 178.64 1t6i h HIS 75 N 0.46 -0.15 0.00 1.25 3.86 -1.84 -1.21 115.15 117.52 1t6i h HIS 75 Ca 0.36 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.49 1t6i h HIS 75 Cb 0.47 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1t6i h HIS 75 CO -0.16 -0.10 -0.39 0.37 0.86 0.00 0.00 177.93 178.51 1t6i h GLN 76 N -0.08 0.00 -0.11 2.45 5.75 -1.84 -2.72 115.11 118.55 1t6i h GLN 76 Ca 0.05 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1t6i h GLN 76 Cb 0.15 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1t6i h GLN 76 CO -0.11 0.39 -0.12 1.25 -2.65 0.00 0.00 178.83 177.59 1t6i h LEU 77 N 0.00 0.30 -0.97 -2.39 5.85 -1.07 -1.62 115.31 115.41 1t6i h LEU 77 Ca -0.00 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1t6i h LEU 77 Cb 0.83 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1t6i h LEU 77 CO 0.05 0.72 0.19 0.58 -0.34 0.00 0.00 178.44 179.65 1t6i h VAL 78 N -0.12 1.23 -0.51 1.05 2.07 -1.16 -0.57 116.25 118.25 1t6i h VAL 78 Ca 0.02 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.61 1t6i h VAL 78 Cb 0.64 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1t6i h VAL 78 CO 0.03 0.31 -0.15 -1.13 0.02 0.00 0.00 177.57 176.65 1t6i h ASN 79 N 0.91 1.00 1.06 0.57 -0.73 -1.47 -1.05 115.58 115.86 1t6i h ASN 79 Ca 0.20 -0.35 -0.06 0.00 1.87 0.00 0.00 56.30 57.97 1t6i h ASN 79 Cb 0.26 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 1t6i h ASN 79 CO -0.01 1.13 -0.28 0.44 -0.37 0.00 0.00 177.43 178.34 1t6i h ASP 80 N 0.87 0.00 -0.03 1.15 3.32 -0.82 -1.00 116.42 119.91 1t6i h ASP 80 Ca 0.13 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1t6i h ASP 80 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1t6i h ASP 80 CO 0.06 0.28 -0.27 0.74 -1.72 0.00 0.00 179.24 178.33 1t6i h THR 81 N 0.00 1.49 -0.51 0.35 2.02 -0.75 -0.40 112.91 115.11 1t6i h THR 81 Ca -0.00 -1.82 -0.04 0.00 0.77 0.00 0.00 66.41 65.31 1t6i h THR 81 Cb 0.89 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 1t6i h THR 81 CO 0.04 0.51 0.13 -0.07 0.37 0.00 0.00 175.52 176.49 1t6i h LEU 82 N -0.36 0.71 -0.27 2.58 3.38 -1.07 -2.74 115.31 117.54 1t6i h LEU 82 Ca -0.03 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 1t6i h LEU 82 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1t6i h LEU 82 CO 0.05 0.69 -0.88 0.11 0.09 0.00 0.00 178.44 178.51 1t6i h LYS 83 N 0.74 0.25 -1.51 1.13 1.57 -1.19 -2.35 116.57 115.21 1t6i h LYS 83 Ca 0.17 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1t6i h LYS 83 Cb 0.26 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1t6i h LYS 83 CO -0.00 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 1t6i n ALA 84 N -2.48 1.97 0.00 3.86 0.00 -0.16 -1.98 120.51 121.71 1t6i n ALA 84 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1t6i n ALA 84 Cb 0.80 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1t6i n ALA 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t6i n SER 86 N 0.76 0.00 0.06 0.00 7.64 -0.89 -1.91 113.62 119.28 1t6i n SER 86 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1t6i n SER 86 Cb 0.23 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1t6i n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t6i h ALA 87 N 0.00 0.65 -0.14 -0.43 0.00 -1.70 -2.30 119.26 115.34 1t6i h ALA 87 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 1t6i h ALA 87 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1t6i h ALA 87 CO 0.00 0.77 -0.52 0.00 0.00 0.00 0.00 179.25 179.51 1t6i h ALA 88 N 1.00 0.86 -0.24 0.00 0.00 -1.61 -0.69 119.26 118.59 1t6i h ALA 88 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1t6i h ALA 88 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1t6i h ALA 88 CO 0.12 0.68 -0.30 -0.22 0.00 0.00 0.00 179.25 179.52 1t6i h LYS 89 N 0.30 0.48 0.00 0.00 3.64 -1.81 -3.06 116.57 116.12 1t6i h LYS 89 Ca 0.01 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1t6i h LYS 89 Cb 1.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1t6i h LYS 89 CO 0.09 0.73 -0.72 0.78 -2.27 0.00 0.00 179.45 178.06 1t6i h GLY 90 N 1.05 0.00 -2.58 5.01 0.00 -1.11 -3.45 103.07 101.99 1t6i h GLY 90 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.90 1t6i h GLY 90 CO 0.06 0.00 -0.41 -0.45 0.00 0.00 0.00 176.54 175.74 1t6i s SER 91 N -4.98 5.46 0.00 0.19 0.15 -0.29 -5.04 113.70 109.20 1t6i s SER 91 Ca 0.03 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.36 1t6i s SER 91 Cb 0.11 -1.01 -0.08 0.00 -1.71 0.00 0.00 66.02 63.33 1t6i s SER 91 CO 0.75 -0.40 0.51 0.29 1.20 0.00 0.00 173.24 175.58 1t6i n LYS 92 N -1.47 3.10 -2.73 5.44 5.02 -1.26 -4.87 118.16 121.40 1t6i n LYS 92 Ca -0.01 -0.20 -0.42 0.00 -2.02 0.00 0.00 58.31 55.66 1t6i n LYS 92 Cb 0.59 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 1t6i n LYS 92 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1t6i s ASP 93 N -1.80 7.08 0.57 4.39 2.15 -1.26 -4.75 116.67 123.04 1t6i s ASP 93 Ca 0.06 1.34 0.36 0.00 0.43 0.00 0.00 52.55 54.73 1t6i s ASP 93 Cb 0.08 -2.52 1.96 0.00 -0.30 0.00 0.00 42.92 42.15 1t6i s ASP 93 CO 0.38 -0.56 2.10 -0.65 -0.17 0.00 0.00 175.17 176.27 1t6i h PRO 94 N 7.39 0.00 -0.08 4.34 0.11 -1.90 -2.29 132.00 139.56 1t6i h PRO 94 Ca -0.24 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 1t6i h PRO 94 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1t6i h PRO 94 CO 0.92 0.00 -0.54 0.00 -0.21 0.00 0.00 178.00 178.16 1t6i h ALA 95 N 1.89 0.93 0.00 -0.75 0.00 -1.98 -1.59 119.26 117.76 1t6i h ALA 95 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1t6i h ALA 95 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t6i h ALA 95 CO 0.00 0.69 -0.47 1.79 0.00 0.00 0.00 179.25 181.26 1t6i h THR 96 N 0.19 0.82 0.00 0.00 1.35 -1.81 -2.16 112.91 111.30 1t6i h THR 96 Ca 0.00 -2.10 -0.08 0.00 -0.55 0.00 0.00 66.41 63.68 1t6i h THR 96 Cb 1.02 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.79 1t6i h THR 96 CO 0.08 0.46 -0.40 1.23 -0.25 0.00 0.00 175.52 176.64 1t6i h GLY 97 N 3.40 0.00 1.31 5.82 0.00 -1.54 -3.13 103.07 108.94 1t6i h GLY 97 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1t6i h GLY 97 CO 0.06 0.00 -0.96 -1.61 0.00 0.00 0.00 176.54 174.03 1t6i h GLN 98 N 0.00 0.00 -0.19 4.80 5.75 -1.17 -3.20 115.11 121.10 1t6i h GLN 98 Ca -0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1t6i h GLN 98 Cb 1.21 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1t6i h GLN 98 CO 0.05 0.23 -0.37 -0.22 -2.65 0.00 0.00 178.83 175.87 1t6i h LYS 99 N 0.00 0.41 0.00 1.69 3.64 -1.33 -1.34 116.57 119.64 1t6i h LYS 99 Ca -0.07 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 1t6i h LYS 99 Cb 1.33 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1t6i h LYS 99 CO 0.03 0.73 -0.68 0.00 -2.27 0.00 0.00 179.45 177.27 1t6i h ALA 100 N 1.25 0.71 -0.02 5.00 0.00 -1.63 -2.10 119.26 122.47 1t6i h ALA 100 Ca 0.04 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 1t6i h ALA 100 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1t6i h ALA 100 CO 0.07 0.85 -0.82 -0.07 0.00 0.00 0.00 179.25 179.27 1t6i h LEU 101 N 0.00 0.35 -0.59 0.00 3.38 -1.47 -1.74 115.31 115.24 1t6i h LEU 101 Ca -0.01 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1t6i h LEU 101 Cb 1.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1t6i h LEU 101 CO 0.09 1.03 -0.18 0.44 0.09 0.00 0.00 178.44 179.90 1t6i h ASP 102 N 0.17 0.94 -0.34 -0.43 3.45 -1.08 -0.82 116.42 118.32 1t6i h ASP 102 Ca -0.04 -0.33 -0.14 0.00 0.43 0.00 0.00 57.03 56.94 1t6i h ASP 102 Cb 1.42 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 1t6i h ASP 102 CO 0.13 1.10 -0.34 1.88 -1.57 0.00 0.00 179.24 180.44 1t6i h TYR 103 N 0.81 0.99 -0.20 4.55 -1.99 -1.33 -2.91 116.97 116.88 1t6i h TYR 103 Ca 0.11 -0.30 -0.09 0.00 2.00 0.00 0.00 58.73 60.45 1t6i h TYR 103 Cb 0.74 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1t6i h TYR 103 CO 0.04 1.09 -0.28 0.82 -0.00 0.00 0.00 178.16 179.83 1t6i h ILE 104 N 0.61 1.27 -0.25 -2.88 2.04 -1.19 -2.55 117.51 114.54 1t6i h ILE 104 Ca 0.05 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1t6i h ILE 104 Cb 0.92 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1t6i h ILE 104 CO 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 178.15 178.62 1t6i h ALA 105 N 1.36 1.51 -0.06 1.87 0.00 -1.04 0.85 119.26 123.76 1t6i h ALA 105 Ca 0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1t6i h ALA 105 Cb 0.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1t6i h ALA 105 CO 0.05 0.35 -0.79 1.96 0.00 0.00 0.00 179.25 180.83 1t6i h GLN 106 N 0.37 0.39 0.00 0.00 4.20 -1.27 -2.03 115.11 116.77 1t6i h GLN 106 Ca 0.08 -0.35 -0.16 0.00 0.06 0.00 0.00 58.65 58.29 1t6i h GLN 106 Cb 0.27 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1t6i h GLN 106 CO 0.01 1.00 -0.74 0.82 -0.67 0.00 0.00 178.83 179.24 1t6i h ILE 107 N 0.26 1.46 -0.26 2.54 2.04 -1.12 -3.02 117.51 119.41 1t6i h ILE 107 Ca -0.04 -2.61 -0.14 0.00 1.00 0.00 0.00 64.86 63.06 1t6i h ILE 107 Cb 1.38 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.88 1t6i h ILE 107 CO 0.13 0.73 -0.43 -0.78 0.00 0.00 0.00 178.15 177.80 1t6i h ASP 108 N 0.00 0.69 -0.55 1.72 3.58 -0.70 -0.99 116.42 120.18 1t6i h ASP 108 Ca -0.01 -0.32 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 1t6i h ASP 108 Cb 1.37 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1t6i h ASP 108 CO 0.10 1.03 0.05 0.50 -2.88 0.00 0.00 179.24 178.04 1t6i h LYS 109 N 0.53 0.93 0.00 0.28 3.64 -1.31 -2.53 116.57 118.11 1t6i h LYS 109 Ca 0.04 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1t6i h LYS 109 Cb 0.96 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1t6i h LYS 109 CO 0.09 0.92 -0.50 0.82 -2.27 0.00 0.00 179.45 178.51 1t6i h ILE 110 N 0.81 1.27 0.05 2.00 2.04 -1.41 -3.00 117.51 119.26 1t6i h ILE 110 Ca 0.16 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1t6i h ILE 110 Cb 0.46 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1t6i h ILE 110 CO 0.02 0.49 -0.02 0.15 0.00 0.00 0.00 178.15 178.78 1t6i h PHE 111 N 0.00 -0.06 0.00 1.37 3.57 -0.77 -2.97 116.94 118.08 1t6i h PHE 111 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1t6i h PHE 111 Cb 0.93 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1t6i h PHE 111 CO 0.00 0.28 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.82 1t6i h TRP 112 N -0.40 0.00 -0.13 0.41 4.06 -1.48 -2.88 115.95 115.53 1t6i h TRP 112 Ca -0.01 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 1t6i h TRP 112 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 1t6i h TRP 112 CO 0.04 0.05 -0.48 0.93 -3.56 0.00 0.00 178.44 175.41 1t6i h GLU 113 N 0.00 0.33 0.00 0.49 5.08 -1.46 -2.81 114.58 116.21 1t6i h GLU 113 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1t6i h GLU 113 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1t6i h GLU 113 CO 0.01 0.75 -0.22 1.79 -1.00 0.00 0.00 179.01 180.33 1t6i h THR 114 N 0.26 0.00 -0.00 1.13 1.35 -1.35 -0.54 112.91 113.76 1t6i h THR 114 Ca 0.01 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1t6i h THR 114 Cb 0.95 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1t6i h THR 114 CO 0.08 0.00 -0.14 0.29 -0.25 0.00 0.00 175.52 175.50 1t6i n LYS 115 N -2.40 0.60 -0.09 4.72 4.76 -1.07 -3.69 118.16 120.99 1t6i n LYS 115 Ca 0.04 -0.22 -0.16 0.00 -2.87 0.00 0.00 58.31 55.10 1t6i n LYS 115 Cb 0.46 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 1t6i n LYS 115 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1t6i n LYS 116 N -1.00 0.40 0.00 1.97 5.02 -1.15 -5.10 118.16 118.29 1t6i n LYS 116 Ca 0.13 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1t6i n LYS 116 Cb 0.29 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1t6i n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88