#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6i s TYR 9 N 0.00 2.95 -0.27 3.52 1.51 -1.26 -5.05 117.35 118.75 1t6i s TYR 9 Ca 0.00 1.50 -0.21 0.00 -1.01 0.00 0.00 57.07 57.34 1t6i s TYR 9 Cb 0.00 -3.51 0.08 0.00 -0.11 0.00 0.00 41.96 38.42 1t6i s TYR 9 CO 0.00 -1.65 0.73 0.34 -1.11 0.00 0.00 175.55 173.86 1t6i s ASP 10 N -0.97 -0.80 0.00 2.29 -1.08 -1.26 -5.03 116.67 109.81 1t6i s ASP 10 Ca 0.57 1.43 0.27 0.00 -0.52 0.00 0.00 52.55 54.30 1t6i s ASP 10 Cb -0.34 1.41 1.50 0.00 -1.46 0.00 0.00 42.92 44.03 1t6i s ASP 10 CO 0.43 -0.24 1.98 -2.65 0.52 0.00 0.00 175.17 175.21 1t6i n PRO 11 N 3.29 1.12 0.25 4.34 -0.02 -1.26 -3.71 135.00 139.01 1t6i n PRO 11 Ca -0.16 -0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.20 1t6i n PRO 11 Cb 0.57 -1.43 0.59 0.00 -0.02 0.00 0.00 33.50 33.21 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 3.92 1.89 0.00 3.55 0.00 -1.99 -1.10 119.26 125.53 1t6i h ALA 12 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1t6i h ALA 12 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t6i h ALA 12 CO 0.00 0.08 -0.44 1.96 0.00 0.00 0.00 179.25 180.86 1t6i h GLN 13 N 0.00 0.00 0.15 0.00 4.20 -1.99 -1.56 115.11 115.91 1t6i h GLN 13 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 1t6i h GLN 13 Cb 0.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1t6i h GLN 13 CO 0.01 0.44 -1.32 0.00 -0.67 0.00 0.00 178.83 177.29 1t6i h ALA 14 N 1.56 0.08 -0.07 3.87 0.00 -1.50 -3.22 119.26 119.98 1t6i h ALA 14 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 1t6i h ALA 14 Cb 0.96 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1t6i h ALA 14 CO 0.06 0.96 0.00 -0.09 0.00 0.00 0.00 179.25 180.18 1t6i h ARG 15 N 0.08 0.12 -0.41 0.00 2.43 -1.05 -1.56 114.38 113.98 1t6i h ARG 15 Ca -0.17 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1t6i h ARG 15 Cb 2.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.53 1t6i h ARG 15 CO 0.21 0.37 0.14 0.82 -1.51 0.00 0.00 179.97 180.00 1t6i h ILE 16 N -0.15 1.17 0.03 1.20 2.04 -1.42 0.49 117.51 120.87 1t6i h ILE 16 Ca 0.02 -0.56 -0.23 0.00 1.00 0.00 0.00 64.86 65.09 1t6i h ILE 16 Cb 0.32 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1t6i h ILE 16 CO 0.00 0.21 -1.00 -0.33 0.00 0.00 0.00 178.15 177.04 1t6i h GLU 17 N 0.59 0.35 0.00 2.37 4.39 -1.55 -2.25 114.58 118.47 1t6i h GLU 17 Ca 0.14 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 1t6i h GLU 17 Cb 0.16 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1t6i h GLU 17 CO -0.01 1.11 -0.46 0.00 -1.16 0.00 0.00 179.01 178.48 1t6i h ALA 18 N 0.74 0.75 0.00 3.43 0.00 -0.83 -2.63 119.26 120.72 1t6i h ALA 18 Ca -0.09 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1t6i h ALA 18 Cb 1.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1t6i h ALA 18 CO 0.17 0.47 -0.61 0.93 0.00 0.00 0.00 179.25 180.20 1t6i h GLU 19 N 0.00 0.00 0.00 0.00 5.08 -0.00 -2.97 114.58 116.69 1t6i h GLU 19 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1t6i h GLU 19 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1t6i h GLU 19 CO 0.05 0.61 -0.49 0.77 -1.00 0.00 0.00 179.01 178.95 1t6i h SER 20 N 0.00 0.00 -0.07 1.42 0.02 -1.23 -2.31 113.55 111.37 1t6i h SER 20 Ca -0.01 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1t6i h SER 20 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1t6i h SER 20 CO 0.08 0.49 -0.25 0.58 -1.14 0.00 0.00 176.83 176.59 1t6i h VAL 21 N 0.00 1.43 -0.67 2.27 2.07 -1.32 -2.28 116.25 117.74 1t6i h VAL 21 Ca -0.00 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 1t6i h VAL 21 Cb 1.20 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1t6i h VAL 21 CO 0.06 0.46 0.15 0.50 0.02 0.00 0.00 177.57 178.77 1t6i h LYS 22 N -0.20 1.07 -0.84 1.57 3.64 -1.56 -1.54 116.57 118.72 1t6i h LYS 22 Ca -0.01 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1t6i h LYS 22 Cb 0.88 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1t6i h LYS 22 CO 0.05 0.96 0.44 0.00 -2.27 0.00 0.00 179.45 178.63 1t6i h ALA 23 N 1.14 1.08 -0.03 5.00 0.00 -1.42 -1.07 119.26 123.96 1t6i h ALA 23 Ca 0.21 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1t6i h ALA 23 Cb 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1t6i h ALA 23 CO 0.00 0.60 -0.59 0.28 0.00 0.00 0.00 179.25 179.54 1t6i h VAL 24 N 1.17 1.41 -0.06 0.00 2.07 -1.13 -2.83 116.25 116.88 1t6i h VAL 24 Ca 0.29 -1.99 -0.18 0.00 0.82 0.00 0.00 66.70 65.64 1t6i h VAL 24 Cb 0.05 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1t6i h VAL 24 CO -0.04 0.58 -0.74 1.56 0.02 0.00 0.00 177.57 178.95 1t6i h GLN 25 N 0.07 0.36 -0.34 1.57 4.20 -0.58 -3.13 115.11 117.26 1t6i h GLN 25 Ca -0.01 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 1t6i h GLN 25 Cb 1.06 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1t6i h GLN 25 CO 0.08 0.94 -0.30 0.93 -0.67 0.00 0.00 178.83 179.81 1t6i h GLU 26 N 0.24 0.72 -2.11 1.46 5.08 -1.14 -3.21 114.58 115.61 1t6i h GLU 26 Ca -0.03 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1t6i h GLU 26 Cb 1.31 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1t6i h GLU 26 CO 0.12 0.93 -0.05 1.63 -1.00 0.00 0.00 179.01 180.64 1t6i n LYS 27 N -4.08 0.99 0.00 2.33 5.02 -1.08 -3.64 118.16 117.70 1t6i n LYS 27 Ca -0.01 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1t6i n LYS 27 Cb 0.47 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 2.04 0.00 -0.00 7.82 0.00 -1.21 -3.69 120.51 125.46 1t6i n ALA 29 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1t6i n ALA 29 Cb 0.47 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.18 1t6i n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t6i n GLY 30 N 0.00 2.02 3.45 0.00 0.00 -1.24 -4.83 105.19 104.58 1t6i n GLY 30 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 1t6i n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t6i s ASN 31 N -0.75 -0.72 -0.08 1.61 3.84 -1.24 -5.07 114.94 112.53 1t6i s ASN 31 Ca 0.36 1.20 0.11 0.00 0.21 0.00 0.00 52.86 54.75 1t6i s ASN 31 Cb 0.24 1.14 0.24 0.00 -0.55 0.00 0.00 41.25 42.32 1t6i s ASN 31 CO 0.17 -0.22 1.17 -0.90 -2.79 0.00 0.00 177.10 174.53 1t6i n ASP 32 N 4.40 2.60 -4.68 -4.21 5.75 -1.26 -4.86 116.55 114.28 1t6i n ASP 32 Ca -0.21 -2.57 -0.42 0.00 -0.01 0.00 0.00 54.79 51.58 1t6i n ASP 32 Cb 0.56 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 1t6i n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1t6i s ASP 33 N -1.84 6.89 0.44 -1.12 2.15 -1.26 -4.93 116.67 117.00 1t6i s ASP 33 Ca 0.22 2.02 0.26 0.00 0.43 0.00 0.00 52.55 55.49 1t6i s ASP 33 Cb 0.18 -2.56 1.29 0.00 -0.30 0.00 0.00 42.92 41.53 1t6i s ASP 33 CO 0.05 -0.70 1.72 -0.65 -0.17 0.00 0.00 175.17 175.42 1t6i h PRO 34 N 7.86 0.22 -0.08 4.34 0.11 -1.99 -1.45 132.00 141.01 1t6i h PRO 34 Ca -0.36 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 1t6i h PRO 34 Cb 1.17 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1t6i h PRO 34 CO 0.91 0.14 -0.14 1.25 -0.21 0.00 0.00 178.00 179.95 1t6i h HIS 35 N 0.22 0.30 -0.53 0.65 2.76 -2.00 -2.44 115.15 114.11 1t6i h HIS 35 Ca 0.67 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.70 1t6i h HIS 35 Cb 2.02 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.90 1t6i h HIS 35 CO -0.00 0.73 0.16 0.35 -1.30 0.00 0.00 177.93 177.87 1t6i h PHE 36 N -0.22 0.86 -0.78 5.26 3.04 -1.72 -1.79 116.94 121.59 1t6i h PHE 36 Ca 0.01 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 61.89 1t6i h PHE 36 Cb 0.70 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.92 1t6i h PHE 36 CO 0.11 0.74 0.50 1.96 -2.02 0.00 0.00 178.31 179.60 1t6i h GLN 37 N 0.74 0.97 -0.37 1.11 1.08 -1.34 -0.15 115.11 117.15 1t6i h GLN 37 Ca 0.17 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 1t6i h GLN 37 Cb 0.28 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1t6i h GLN 37 CO -0.00 0.64 -0.07 1.15 -0.95 0.00 0.00 178.83 179.60 1t6i h THR 38 N 1.00 1.27 -0.42 -0.54 2.02 -1.22 -2.17 112.91 112.86 1t6i h THR 38 Ca 0.30 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1t6i h THR 38 Cb -0.04 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1t6i h THR 38 CO -0.09 0.37 0.16 0.03 0.37 0.00 0.00 175.52 176.36 1t6i h ARG 39 N 0.50 0.64 0.00 6.66 3.08 -1.02 -1.44 114.38 122.79 1t6i h ARG 39 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1t6i h ARG 39 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1t6i h ARG 39 CO 0.03 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1t6i h ALA 40 N 1.00 1.00 0.06 0.04 0.00 -0.98 -1.15 119.26 119.23 1t6i h ALA 40 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 1t6i h ALA 40 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1t6i h ALA 40 CO -0.01 0.00 -1.52 1.15 0.00 0.00 0.00 179.25 178.87 1t6i h THR 41 N 0.00 1.13 -0.26 0.00 2.02 -0.75 -2.67 112.91 112.38 1t6i h THR 41 Ca 0.00 -2.85 -0.15 0.00 0.77 0.00 0.00 66.41 64.17 1t6i h THR 41 Cb 0.43 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1t6i h THR 41 CO 0.00 0.75 -0.44 0.58 0.37 0.00 0.00 175.52 176.78 1t6i h VAL 42 N 0.03 1.30 -0.26 3.16 2.07 -0.56 -2.41 116.25 119.58 1t6i h VAL 42 Ca -0.22 -1.63 -0.19 0.00 0.82 0.00 0.00 66.70 65.47 1t6i h VAL 42 Cb 1.97 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1t6i h VAL 42 CO 0.12 0.52 -0.59 0.40 0.02 0.00 0.00 177.57 178.05 1t6i h ILE 43 N 0.51 1.28 -0.17 4.57 2.04 -1.37 -2.98 117.51 121.38 1t6i h ILE 43 Ca 0.02 -1.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.05 1t6i h ILE 43 Cb 1.04 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1t6i h ILE 43 CO 0.10 0.58 -0.16 0.50 0.00 0.00 0.00 178.15 179.17 1t6i h LYS 44 N 0.64 0.29 -0.08 2.37 3.64 -1.47 -0.49 116.57 121.46 1t6i h LYS 44 Ca 0.00 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 1t6i h LYS 44 Cb 1.20 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1t6i h LYS 44 CO 0.13 0.45 -0.69 1.49 -2.27 0.00 0.00 179.45 178.55 1t6i h GLU 45 N 0.27 0.38 0.01 1.90 4.57 -1.41 -1.96 114.58 118.34 1t6i h GLU 45 Ca 0.05 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 57.82 1t6i h GLU 45 Cb 0.44 0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1t6i h GLU 45 CO 0.03 0.93 -0.46 1.96 -1.18 0.00 0.00 179.01 180.29 1t6i h GLN 46 N 0.27 0.29 0.00 1.92 4.20 -1.29 -2.81 115.11 117.69 1t6i h GLN 46 Ca -0.02 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.29 1t6i h GLN 46 Cb 1.26 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1t6i h GLN 46 CO 0.12 1.04 -0.31 0.00 -0.67 0.00 0.00 178.83 179.00 1t6i h ARG 47 N -0.31 0.00 -0.04 1.46 2.47 -1.15 -1.97 114.38 114.83 1t6i h ARG 47 Ca -0.06 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 1t6i h ARG 47 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1t6i h ARG 47 CO 0.09 0.31 -0.21 0.00 0.56 0.00 0.00 179.97 180.72 1t6i h ALA 48 N 1.69 0.09 0.00 0.04 0.00 -1.42 -2.24 119.26 117.41 1t6i h ALA 48 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1t6i h ALA 48 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1t6i h ALA 48 CO 0.04 0.07 -0.32 0.93 0.00 0.00 0.00 179.25 179.97 1t6i h GLU 49 N -0.33 0.00 -0.17 0.00 5.08 -1.37 -1.69 114.58 116.10 1t6i h GLU 49 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 1t6i h GLU 49 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1t6i h GLU 49 CO 0.04 0.32 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.57 1t6i h LEU 50 N 0.00 0.91 -0.64 1.33 3.38 -1.38 -1.84 115.31 117.07 1t6i h LEU 50 Ca -0.00 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1t6i h LEU 50 Cb 0.59 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1t6i h LEU 50 CO 0.04 1.37 0.13 0.00 0.09 0.00 0.00 178.44 180.08 1t6i h ALA 51 N 0.62 0.84 -0.55 1.53 0.00 -1.13 -2.34 119.26 118.22 1t6i h ALA 51 Ca -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1t6i h ALA 51 Cb 1.36 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1t6i h ALA 51 CO 0.15 0.57 0.26 0.87 0.00 0.00 0.00 179.25 181.10 1t6i h LYS 52 N 0.95 0.80 -0.08 0.00 1.57 -1.25 -2.53 116.57 116.03 1t6i h LYS 52 Ca 0.20 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1t6i h LYS 52 Cb 0.39 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1t6i h LYS 52 CO 0.01 0.67 0.03 1.25 -0.57 0.00 0.00 179.45 180.84 1t6i h HIS 53 N 0.75 0.06 -0.15 -1.35 2.76 -1.11 -0.09 115.15 116.02 1t6i h HIS 53 Ca 0.19 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1t6i h HIS 53 Cb 0.14 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1t6i h HIS 53 CO -0.00 0.03 -0.05 0.45 -1.30 0.00 0.00 177.93 177.06 1t6i h HIS 54 N 0.08 0.22 0.07 5.26 3.86 -1.31 0.39 115.15 123.72 1t6i h HIS 54 Ca 0.03 -0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.01 1t6i h HIS 54 Cb 0.01 -0.07 0.02 0.00 1.06 0.00 0.00 27.41 28.44 1t6i h HIS 54 CO -0.09 0.28 -0.92 0.28 0.86 0.00 0.00 177.93 178.34 1t6i h VAL 55 N 0.21 1.38 -0.49 2.45 2.07 -1.18 -2.86 116.25 117.83 1t6i h VAL 55 Ca 0.05 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 65.20 1t6i h VAL 55 Cb 0.23 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1t6i h VAL 55 CO 0.01 0.69 0.14 -1.28 0.02 0.00 0.00 177.57 177.15 1t6i h SER 56 N 0.01 0.67 -0.17 0.57 0.87 -0.58 -2.67 113.55 112.25 1t6i h SER 56 Ca -0.14 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.19 1t6i h SER 56 Cb 1.63 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1t6i h SER 56 CO 0.18 0.65 -0.35 0.58 -0.53 0.00 0.00 176.83 177.35 1t6i h VAL 57 N 0.71 1.29 -0.82 2.23 2.07 -0.96 -1.84 116.25 118.92 1t6i h VAL 57 Ca 0.16 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1t6i h VAL 57 Cb 0.23 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1t6i h VAL 57 CO -0.01 0.49 0.43 -0.07 0.02 0.00 0.00 177.57 178.43 1t6i h LEU 58 N 0.58 1.03 -0.34 2.57 3.38 -1.24 0.77 115.31 122.06 1t6i h LEU 58 Ca 0.06 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1t6i h LEU 58 Cb 0.88 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1t6i h LEU 58 CO 0.08 0.84 -0.72 -0.25 0.09 0.00 0.00 178.44 178.48 1t6i h TRP 59 N 1.15 0.73 0.05 1.13 7.01 -1.26 -1.95 115.95 122.82 1t6i h TRP 59 Ca 0.29 -0.32 -0.28 0.00 2.11 0.00 0.00 58.89 60.69 1t6i h TRP 59 Cb 0.05 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1t6i h TRP 59 CO 0.01 1.10 -1.53 0.66 -2.79 0.00 0.00 178.44 175.88 1t6i h SER 60 N 0.38 0.16 0.41 2.65 4.64 -1.14 -3.40 113.55 117.25 1t6i h SER 60 Ca -0.03 -0.68 -0.27 0.00 -0.47 0.00 0.00 61.79 60.34 1t6i h SER 60 Cb 1.31 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 1t6i h SER 60 CO 0.13 1.63 -1.81 0.47 -0.87 0.00 0.00 176.83 176.38 1t6i n ASP 61 N -4.08 0.64 -0.01 4.97 10.43 0.25 -4.77 116.55 123.97 1t6i n ASP 61 Ca -0.32 0.30 -0.01 0.00 2.57 0.00 0.00 54.79 57.33 1t6i n ASP 61 Cb 0.82 0.31 -0.00 0.00 1.84 0.00 0.00 41.12 44.08 1t6i n ASP 61 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1t6i n TYR 62 N -2.91 0.10 -1.55 1.24 9.36 -1.04 -4.89 117.16 117.47 1t6i n TYR 62 Ca -0.19 0.04 -0.40 0.00 3.32 0.00 0.00 57.90 60.68 1t6i n TYR 62 Cb 1.01 -0.24 -0.05 0.00 -0.63 0.00 0.00 39.34 39.43 1t6i n TYR 62 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1t6i n PHE 63 N -2.71 1.53 -2.06 2.98 0.99 -0.76 -4.97 117.46 112.45 1t6i n PHE 63 Ca -0.02 0.09 -0.29 0.00 -0.00 0.00 0.00 57.45 57.24 1t6i n PHE 63 Cb 0.06 -2.63 0.05 0.00 -1.00 0.00 0.00 39.48 35.96 1t6i n PHE 63 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1t6i s LYS 64 N 7.56 2.70 0.51 -1.08 -0.14 -1.26 -4.77 119.74 123.26 1t6i s LYS 64 Ca 1.03 0.22 0.31 0.00 -1.36 0.00 0.00 55.97 56.17 1t6i s LYS 64 Cb -0.39 -2.10 1.43 0.00 -1.68 0.00 0.00 37.83 35.08 1t6i s LYS 64 CO 0.33 -1.03 1.84 -1.35 -0.76 0.00 0.00 175.35 174.38 1t6i h PRO 65 N -0.57 0.08 0.00 -1.68 0.11 -1.99 -2.01 132.00 125.95 1t6i h PRO 65 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1t6i h PRO 65 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1t6i h PRO 65 CO 0.63 0.06 -0.06 -1.00 -0.21 0.00 0.00 178.00 177.42 1t6i h PRO 66 N 0.09 0.00 -0.09 1.05 0.13 -2.00 -3.13 132.00 128.05 1t6i h PRO 66 Ca 0.50 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.52 1t6i h PRO 66 Cb 1.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.96 1t6i h PRO 66 CO -0.06 0.06 -0.45 0.45 -0.23 0.00 0.00 178.00 177.77 1t6i h HIS 67 N 0.00 0.24 0.00 1.56 3.86 -1.73 -2.42 115.15 116.66 1t6i h HIS 67 Ca -0.00 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 1t6i h HIS 67 Cb 0.69 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 1t6i h HIS 67 CO 0.00 0.62 -0.62 0.74 0.86 0.00 0.00 177.93 179.53 1t6i h PHE 68 N 0.17 0.00 0.00 2.45 0.05 -1.63 -1.99 116.94 115.99 1t6i h PHE 68 Ca 0.01 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.73 1t6i h PHE 68 Cb 0.86 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.80 1t6i h PHE 68 CO 0.01 0.62 -0.35 1.49 -0.18 0.00 0.00 178.31 179.90 1t6i h GLU 69 N 0.00 0.00 0.15 1.51 4.57 -1.48 -3.17 114.58 116.16 1t6i h GLU 69 Ca -0.01 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 1t6i h GLU 69 Cb 1.44 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1t6i h GLU 69 CO 0.08 0.35 -1.79 -0.22 -1.18 0.00 0.00 179.01 176.25 1t6i h LYS 70 N 0.00 0.32 -3.11 1.92 3.64 -1.35 -3.41 116.57 114.57 1t6i h LYS 70 Ca -0.00 -0.54 -0.62 0.00 -1.27 0.00 0.00 60.65 58.21 1t6i h LYS 70 Cb 1.12 0.20 -0.40 0.00 -0.41 0.00 0.00 32.23 32.74 1t6i h LYS 70 CO 0.05 1.22 -0.70 0.71 -2.27 0.00 0.00 179.45 178.46 1t6i s TYR 71 N -2.58 2.47 0.10 1.91 1.51 -0.76 -5.00 117.35 115.00 1t6i s TYR 71 Ca -0.16 -2.74 0.32 0.00 -1.01 0.00 0.00 57.07 53.49 1t6i s TYR 71 Cb 0.06 -2.24 1.59 0.00 -0.11 0.00 0.00 41.96 41.27 1t6i s TYR 71 CO 0.83 -0.75 1.98 -1.00 -1.11 0.00 0.00 175.55 175.49 1t6i h PRO 72 N 6.54 0.00 -0.01 -1.71 0.13 -1.80 -2.65 132.00 132.51 1t6i h PRO 72 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1t6i h PRO 72 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1t6i h PRO 72 CO 0.57 0.00 -0.23 -0.85 -0.23 0.00 0.00 178.00 177.26 1t6i n GLU 73 N -2.72 0.90 -0.20 0.86 0.00 -1.26 -4.34 120.64 113.88 1t6i n GLU 73 Ca -0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 57.16 56.58 1t6i n GLU 73 Cb 0.15 -1.49 0.05 0.00 0.00 0.00 0.00 31.44 30.15 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 1.26 0.60 -0.25 -1.84 5.85 -1.83 -2.09 115.31 117.02 1t6i h LEU 74 Ca 0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1t6i h LEU 74 Cb 0.50 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1t6i h LEU 74 CO 0.00 0.43 -0.11 0.45 -0.34 0.00 0.00 178.44 178.86 1t6i h HIS 75 N 0.73 -0.27 0.00 1.25 3.86 -1.81 -0.90 115.15 118.01 1t6i h HIS 75 Ca 0.23 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 1t6i h HIS 75 Cb -0.00 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1t6i h HIS 75 CO -0.05 -0.17 -0.44 0.37 0.86 0.00 0.00 177.93 178.49 1t6i h GLN 76 N -0.08 0.00 -0.05 2.45 5.75 -1.83 -2.70 115.11 118.65 1t6i h GLN 76 Ca 0.13 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1t6i h GLN 76 Cb 0.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 1t6i h GLN 76 CO -0.30 0.44 -0.02 1.25 -2.65 0.00 0.00 178.83 177.55 1t6i h LEU 77 N 0.00 0.10 -1.35 -2.39 5.85 -0.69 -0.37 115.31 116.46 1t6i h LEU 77 Ca -0.00 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1t6i h LEU 77 Cb 1.00 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1t6i h LEU 77 CO 0.06 0.49 0.36 0.58 -0.34 0.00 0.00 178.44 179.59 1t6i h VAL 78 N -0.29 1.17 -0.23 1.05 2.07 -1.15 0.49 116.25 119.35 1t6i h VAL 78 Ca 0.01 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1t6i h VAL 78 Cb 0.45 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1t6i h VAL 78 CO 0.01 0.17 -0.11 -1.13 0.02 0.00 0.00 177.57 176.53 1t6i h ASN 79 N 0.82 0.49 0.53 0.57 -0.73 -1.34 -1.90 115.58 114.02 1t6i h ASN 79 Ca 0.22 -0.41 -0.06 0.00 1.87 0.00 0.00 56.30 57.92 1t6i h ASN 79 Cb -0.04 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 1t6i h ASN 79 CO -0.04 0.79 -0.27 0.44 -0.37 0.00 0.00 177.43 177.98 1t6i h ASP 80 N 0.19 0.00 -0.18 1.15 3.32 -0.39 -0.19 116.42 120.33 1t6i h ASP 80 Ca 0.05 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1t6i h ASP 80 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1t6i h ASP 80 CO 0.03 0.27 -0.48 0.74 -1.72 0.00 0.00 179.24 178.08 1t6i h THR 81 N 0.00 1.33 -0.41 0.35 2.02 -0.75 -0.38 112.91 115.07 1t6i h THR 81 Ca -0.00 -1.73 -0.12 0.00 0.77 0.00 0.00 66.41 65.33 1t6i h THR 81 Cb 0.60 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1t6i h THR 81 CO 0.03 0.53 -0.23 -0.07 0.37 0.00 0.00 175.52 176.16 1t6i h LEU 82 N 0.31 0.85 -0.53 2.58 3.38 -0.88 -3.10 115.31 117.91 1t6i h LEU 82 Ca -0.01 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.48 1t6i h LEU 82 Cb 1.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1t6i h LEU 82 CO 0.10 1.05 -0.64 0.11 0.09 0.00 0.00 178.44 179.15 1t6i h LYS 83 N 0.72 0.35 -1.45 1.13 1.57 -1.01 -2.12 116.57 115.76 1t6i h LYS 83 Ca 0.10 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1t6i h LYS 83 Cb 0.76 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1t6i h LYS 83 CO 0.06 0.88 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 1t6i n ALA 84 N -2.49 2.09 0.00 3.86 0.00 -0.16 -1.96 120.51 121.85 1t6i n ALA 84 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1t6i n ALA 84 Cb 0.65 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.75 0.00 0.04 0.00 7.64 -0.80 -2.02 113.62 119.22 1t6i n SER 86 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1t6i n SER 86 Cb 0.28 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.34 -0.18 -0.43 0.00 -1.69 -2.91 119.26 114.40 1t6i h ALA 87 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 1t6i h ALA 87 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t6i h ALA 87 CO 0.00 0.74 -0.50 0.00 0.00 0.00 0.00 179.25 179.49 1t6i h ALA 88 N 0.66 0.81 0.00 0.00 0.00 -1.67 -1.26 119.26 117.79 1t6i h ALA 88 Ca -0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1t6i h ALA 88 Cb 1.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1t6i h ALA 88 CO 0.17 0.67 -0.12 -0.22 0.00 0.00 0.00 179.25 179.74 1t6i h LYS 89 N 0.38 0.00 -0.01 0.00 3.64 -1.84 -1.88 116.57 116.86 1t6i h LYS 89 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1t6i h LYS 89 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1t6i h LYS 89 CO 0.09 0.12 -0.51 0.41 -2.27 0.00 0.00 179.45 177.29 1t6i n GLY 90 N -1.17 -0.21 3.56 5.01 0.00 -0.93 -4.80 105.19 106.66 1t6i n GLY 90 Ca -0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1t6i n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t6i s SER 91 N -2.56 4.08 0.00 1.61 0.15 -0.52 -5.02 113.70 111.44 1t6i s SER 91 Ca 0.18 -0.82 0.17 0.00 0.70 0.00 0.00 55.95 56.18 1t6i s SER 91 Cb 0.18 -0.58 0.08 0.00 -1.71 0.00 0.00 66.02 63.99 1t6i s SER 91 CO 0.61 0.03 0.97 0.29 1.20 0.00 0.00 173.24 176.34 1t6i n LYS 92 N -0.70 1.50 -2.72 5.44 5.02 -1.26 -4.88 118.16 120.56 1t6i n LYS 92 Ca -0.06 -1.25 -0.42 0.00 -2.02 0.00 0.00 58.31 54.56 1t6i n LYS 92 Cb 0.59 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.62 7.15 0.55 4.39 2.15 -1.26 -4.74 116.67 123.29 1t6i s ASP 93 Ca 0.17 1.42 0.32 0.00 0.43 0.00 0.00 52.55 54.90 1t6i s ASP 93 Cb 0.14 -2.53 1.54 0.00 -0.30 0.00 0.00 42.92 41.77 1t6i s ASP 93 CO 0.29 -0.49 2.07 -0.65 -0.17 0.00 0.00 175.17 176.22 1t6i h PRO 94 N 7.23 0.00 0.00 4.34 0.11 -1.89 -2.87 132.00 138.91 1t6i h PRO 94 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1t6i h PRO 94 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1t6i h PRO 94 CO 0.88 0.08 -0.31 0.00 -0.21 0.00 0.00 178.00 178.43 1t6i h ALA 95 N 1.92 1.36 -0.00 -0.75 0.00 -1.97 -0.76 119.26 119.07 1t6i h ALA 95 Ca -0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1t6i h ALA 95 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1t6i h ALA 95 CO 0.01 0.39 -0.81 1.79 0.00 0.00 0.00 179.25 180.63 1t6i h THR 96 N 0.00 1.51 -0.01 0.00 1.35 -1.91 -0.85 112.91 113.01 1t6i h THR 96 Ca -0.00 -2.58 -0.16 0.00 -0.55 0.00 0.00 66.41 63.11 1t6i h THR 96 Cb 0.60 2.41 -0.02 0.00 -1.73 0.00 0.00 68.15 69.41 1t6i h THR 96 CO 0.04 0.75 -0.75 1.23 -0.25 0.00 0.00 175.52 176.54 1t6i h GLY 97 N 2.02 0.06 2.00 5.82 0.00 -1.52 -2.44 103.07 109.01 1t6i h GLY 97 Ca -0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1t6i h GLY 97 CO 0.12 0.08 -0.53 -1.61 0.00 0.00 0.00 176.54 174.59 1t6i h GLN 98 N 0.03 0.00 -0.29 4.80 5.75 -0.97 -1.93 115.11 122.50 1t6i h GLN 98 Ca -0.01 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 1t6i h GLN 98 Cb 1.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 1t6i h GLN 98 CO 0.10 0.53 -0.41 -0.22 -2.65 0.00 0.00 178.83 176.18 1t6i h LYS 99 N 0.00 0.71 -0.25 1.69 3.64 -0.94 -0.02 116.57 121.40 1t6i h LYS 99 Ca -0.01 -0.37 -0.13 0.00 -1.27 0.00 0.00 60.65 58.87 1t6i h LYS 99 Cb 1.33 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1t6i h LYS 99 CO 0.07 0.99 -0.39 0.00 -2.27 0.00 0.00 179.45 177.85 1t6i h ALA 100 N 0.96 0.86 -0.27 5.00 0.00 -1.30 -1.77 119.26 122.75 1t6i h ALA 100 Ca 0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1t6i h ALA 100 Cb 0.95 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1t6i h ALA 100 CO 0.09 0.64 -0.53 -0.07 0.00 0.00 0.00 179.25 179.37 1t6i h LEU 101 N 0.48 0.87 -1.13 0.00 3.38 -1.03 -1.87 115.31 116.00 1t6i h LEU 101 Ca 0.04 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1t6i h LEU 101 Cb 0.88 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1t6i h LEU 101 CO 0.08 1.23 -0.01 0.44 0.09 0.00 0.00 178.44 180.27 1t6i h ASP 102 N 0.61 0.56 0.78 -0.43 3.45 -0.81 -0.97 116.42 119.62 1t6i h ASP 102 Ca 0.02 -0.12 -0.14 0.00 0.43 0.00 0.00 57.03 57.22 1t6i h ASP 102 Cb 1.12 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.72 1t6i h ASP 102 CO 0.11 0.64 -0.65 1.88 -1.57 0.00 0.00 179.24 179.66 1t6i h TYR 103 N 0.57 0.00 0.00 4.55 0.99 -1.20 -2.96 116.97 118.92 1t6i h TYR 103 Ca 0.12 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.66 1t6i h TYR 103 Cb 0.38 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.08 1t6i h TYR 103 CO 0.01 0.65 -0.88 0.82 -0.00 0.00 0.00 178.16 178.77 1t6i h ILE 104 N 0.00 1.59 -0.11 -2.88 2.04 -0.78 -3.19 117.51 114.17 1t6i h ILE 104 Ca -0.01 -3.05 -0.09 0.00 1.00 0.00 0.00 64.86 62.71 1t6i h ILE 104 Cb 1.22 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 1t6i h ILE 104 CO 0.08 0.86 -0.32 0.00 0.00 0.00 0.00 178.15 178.77 1t6i h ALA 105 N 1.12 1.25 -0.31 1.87 0.00 -1.08 -0.02 119.26 122.09 1t6i h ALA 105 Ca -0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1t6i h ALA 105 Cb 1.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1t6i h ALA 105 CO 0.11 0.51 -0.43 1.96 0.00 0.00 0.00 179.25 181.40 1t6i h GLN 106 N 0.19 0.79 -0.24 0.00 4.20 -1.52 -1.33 115.11 117.21 1t6i h GLN 106 Ca 0.03 -0.44 -0.19 0.00 0.06 0.00 0.00 58.65 58.11 1t6i h GLN 106 Cb 0.67 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1t6i h GLN 106 CO 0.05 1.07 -0.60 0.82 -0.67 0.00 0.00 178.83 179.50 1t6i h ILE 107 N 0.64 1.29 -0.41 2.54 2.04 -1.47 -2.70 117.51 119.44 1t6i h ILE 107 Ca 0.04 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.05 1t6i h ILE 107 Cb 1.00 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1t6i h ILE 107 CO 0.10 0.58 0.03 -0.78 0.00 0.00 0.00 178.15 178.08 1t6i h ASP 108 N 0.59 0.60 -0.36 1.72 3.58 -0.85 0.25 116.42 121.94 1t6i h ASP 108 Ca -0.00 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 1t6i h ASP 108 Cb 1.20 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1t6i h ASP 108 CO 0.13 0.65 -0.07 0.50 -2.88 0.00 0.00 179.24 177.56 1t6i h LYS 109 N 0.61 0.69 -0.12 0.28 3.64 -1.12 -2.10 116.57 118.44 1t6i h LYS 109 Ca 0.13 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 1t6i h LYS 109 Cb 0.34 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1t6i h LYS 109 CO 0.01 0.84 -0.60 0.82 -2.27 0.00 0.00 179.45 178.24 1t6i h ILE 110 N 0.48 1.35 -0.00 2.00 2.04 -1.13 -2.69 117.51 119.56 1t6i h ILE 110 Ca 0.09 -1.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.03 1t6i h ILE 110 Cb 0.57 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1t6i h ILE 110 CO 0.03 0.58 0.00 0.15 0.00 0.00 0.00 178.15 178.92 1t6i h PHE 111 N 0.31 0.00 0.00 1.37 3.57 -0.34 -2.51 116.94 119.34 1t6i h PHE 111 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1t6i h PHE 111 Cb 1.14 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1t6i h PHE 111 CO 0.04 0.06 0.00 -1.49 -2.23 0.00 0.00 178.31 174.69 1t6i h TRP 112 N -0.06 0.00 -0.06 0.41 4.06 -1.38 -2.60 115.95 116.32 1t6i h TRP 112 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1t6i h TRP 112 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1t6i h TRP 112 CO -0.06 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.21 1t6i n GLU 113 N -2.90 1.20 0.00 0.49 1.02 -0.96 -2.37 120.64 117.12 1t6i n GLU 113 Ca 0.02 -0.31 0.01 0.00 -0.02 0.00 0.00 57.16 56.86 1t6i n GLU 113 Cb 0.34 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1t6i n GLU 113 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1t6i n THR 114 N -0.42 0.00 0.55 2.62 -2.24 -0.98 -4.57 114.28 109.23 1t6i n THR 114 Ca 0.12 -0.48 0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1t6i n THR 114 Cb 0.12 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1t6i n THR 114 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1t6i n LYS 115 N -0.17 1.55 0.00 -0.78 4.76 -1.00 -5.12 118.16 117.40 1t6i n LYS 115 Ca 0.01 -0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.56 1t6i n LYS 115 Cb 0.06 -1.27 0.65 0.00 -1.84 0.00 0.00 35.03 32.63 1t6i n LYS 115 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66