#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 2.07 -0.29 6.34 1.51 -1.26 -5.15 117.35 120.57 1t6i s TYR 9 Ca 0.00 -0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 55.35 1t6i s TYR 9 Cb 0.00 -1.08 0.17 0.00 -0.11 0.00 0.00 41.96 40.94 1t6i s TYR 9 CO 0.00 0.46 1.06 0.34 -1.11 0.00 0.00 175.55 176.29 1t6i s ASP 10 N -3.47 -0.41 0.00 2.29 -1.08 -1.26 -5.04 116.67 107.71 1t6i s ASP 10 Ca 0.29 0.62 0.11 0.00 -0.52 0.00 0.00 52.55 53.04 1t6i s ASP 10 Cb 0.01 1.28 0.63 0.00 -1.46 0.00 0.00 42.92 43.38 1t6i s ASP 10 CO 0.12 -0.09 1.05 -2.65 0.52 0.00 0.00 175.17 174.13 1t6i n PRO 11 N 3.99 0.44 0.09 4.34 -0.02 -1.26 -2.70 135.00 139.88 1t6i n PRO 11 Ca -0.15 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.35 1t6i n PRO 11 Cb 0.56 -1.37 0.36 0.00 -0.02 0.00 0.00 33.50 33.03 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 2.63 1.45 -0.15 3.55 0.00 -1.98 -1.44 119.26 123.31 1t6i h ALA 12 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1t6i h ALA 12 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1t6i h ALA 12 CO 0.00 0.39 -0.18 1.96 0.00 0.00 0.00 179.25 181.41 1t6i h GLN 13 N 0.29 0.24 0.13 0.00 4.20 -1.93 0.07 115.11 118.10 1t6i h GLN 13 Ca 0.06 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1t6i h GLN 13 Cb 0.39 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.16 1t6i h GLN 13 CO 0.02 0.43 -0.81 0.00 -0.67 0.00 0.00 178.83 177.79 1t6i h ALA 14 N 1.59 -0.07 -0.59 3.87 0.00 -1.65 -3.23 119.26 119.19 1t6i h ALA 14 Ca 0.04 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1t6i h ALA 14 Cb 0.46 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1t6i h ALA 14 CO 0.03 0.39 0.39 -0.09 0.00 0.00 0.00 179.25 179.97 1t6i h ARG 15 N -0.41 0.77 -0.58 0.00 2.43 -1.03 -0.41 114.38 115.16 1t6i h ARG 15 Ca -0.15 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 1t6i h ARG 15 Cb 1.62 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 1t6i h ARG 15 CO 0.14 0.51 0.11 0.82 -1.51 0.00 0.00 179.97 180.04 1t6i h ILE 16 N 0.79 1.24 0.00 1.20 2.04 -1.12 0.18 117.51 121.85 1t6i h ILE 16 Ca 0.22 -0.92 -0.16 0.00 1.00 0.00 0.00 64.86 65.00 1t6i h ILE 16 Cb -0.09 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1t6i h ILE 16 CO -0.05 0.34 -0.75 -0.33 0.00 0.00 0.00 178.15 177.37 1t6i h GLU 17 N 0.88 0.00 0.00 2.37 4.39 -1.51 -2.81 114.58 117.90 1t6i h GLU 17 Ca 0.18 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 1t6i h GLU 17 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1t6i h GLU 17 CO 0.01 0.75 -0.65 0.00 -1.16 0.00 0.00 179.01 177.95 1t6i h ALA 18 N 1.25 0.64 0.00 3.43 0.00 -0.66 -2.95 119.26 120.97 1t6i h ALA 18 Ca -0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1t6i h ALA 18 Cb 1.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1t6i h ALA 18 CO 0.10 0.81 -0.08 1.49 0.00 0.00 0.00 179.25 181.56 1t6i h GLU 19 N 0.00 0.00 0.00 0.00 4.81 -0.54 -2.71 114.58 116.14 1t6i h GLU 19 Ca -0.01 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1t6i h GLU 19 Cb 1.42 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1t6i h GLU 19 CO 0.08 0.08 -0.90 0.77 -0.73 0.00 0.00 179.01 178.32 1t6i h SER 20 N 0.00 0.00 -0.02 1.04 0.02 -1.33 -2.80 113.55 110.46 1t6i h SER 20 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1t6i h SER 20 Cb 0.84 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 1t6i h SER 20 CO 0.01 0.90 -0.02 0.58 -1.14 0.00 0.00 176.83 177.16 1t6i h VAL 21 N 0.00 1.37 -0.61 2.27 2.07 -1.41 -1.48 116.25 118.46 1t6i h VAL 21 Ca -0.01 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 1t6i h VAL 21 Cb 1.64 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 1t6i h VAL 21 CO 0.12 0.30 0.12 0.50 0.02 0.00 0.00 177.57 178.62 1t6i h LYS 22 N -0.41 0.98 -0.25 1.57 3.64 -1.61 -1.39 116.57 119.11 1t6i h LYS 22 Ca 0.00 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 1t6i h LYS 22 Cb 0.49 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1t6i h LYS 22 CO 0.00 0.89 -0.15 0.00 -2.27 0.00 0.00 179.45 177.93 1t6i h ALA 23 N 1.19 1.30 0.01 5.00 0.00 -1.48 -1.73 119.26 123.55 1t6i h ALA 23 Ca 0.19 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1t6i h ALA 23 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1t6i h ALA 23 CO 0.01 0.47 -0.95 0.28 0.00 0.00 0.00 179.25 179.05 1t6i h VAL 24 N 0.39 1.42 -0.54 0.00 2.07 -0.92 -2.77 116.25 115.90 1t6i h VAL 24 Ca 0.07 -2.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.01 1t6i h VAL 24 Cb 0.49 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1t6i h VAL 24 CO 0.03 0.75 0.08 1.56 0.02 0.00 0.00 177.57 180.01 1t6i h GLN 25 N 0.20 0.86 -0.04 1.57 4.20 -0.81 -2.65 115.11 118.44 1t6i h GLN 25 Ca -0.08 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 1t6i h GLN 25 Cb 1.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 1t6i h GLN 25 CO 0.16 0.81 -0.62 0.93 -0.67 0.00 0.00 178.83 179.44 1t6i h GLU 26 N 0.81 0.14 -2.10 1.46 5.08 -1.33 -3.29 114.58 115.35 1t6i h GLU 26 Ca 0.17 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1t6i h GLU 26 Cb 0.37 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1t6i h GLU 26 CO 0.01 0.71 -0.18 1.17 -1.00 0.00 0.00 179.01 179.72 1t6i n LYS 27 N -3.84 1.45 0.00 2.33 4.81 -1.00 -3.99 118.16 117.92 1t6i n LYS 27 Ca -0.02 -0.59 0.00 0.00 -0.87 0.00 0.00 58.31 56.83 1t6i n LYS 27 Cb 0.62 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1t6i n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t6i n ALA 29 N 2.26 0.00 -0.50 3.14 0.00 -1.24 -3.93 120.51 120.23 1t6i n ALA 29 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1t6i n ALA 29 Cb 0.68 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.39 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 2.96 3.11 0.00 0.00 -1.26 -4.93 105.19 105.07 1t6i n GLY 30 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.14 -0.25 -0.01 1.61 3.84 -1.25 -5.06 114.94 112.68 1t6i s ASN 31 Ca 0.40 0.48 0.11 0.00 0.21 0.00 0.00 52.86 54.06 1t6i s ASN 31 Cb 0.25 0.48 -0.16 0.00 -0.55 0.00 0.00 41.25 41.27 1t6i s ASN 31 CO 0.20 -0.09 0.30 0.47 -2.79 0.00 0.00 177.10 175.20 1t6i n ASP 32 N 3.06 1.91 -4.64 -4.21 8.00 -1.26 -4.93 116.55 114.47 1t6i n ASP 32 Ca -0.14 -0.21 -0.57 0.00 0.71 0.00 0.00 54.79 54.58 1t6i n ASP 32 Cb 0.58 1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 42.97 1t6i n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1t6i n ASP 33 N -1.71 2.22 -0.32 -2.24 2.03 -1.26 -4.88 116.55 110.39 1t6i n ASP 33 Ca -0.01 0.94 0.14 0.00 0.52 0.00 0.00 54.79 56.38 1t6i n ASP 33 Cb 0.26 -1.14 0.37 0.00 -0.72 0.00 0.00 41.12 39.88 1t6i n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1t6i h PRO 34 N 8.19 0.67 -0.67 -0.67 0.11 -1.99 -2.34 132.00 135.30 1t6i h PRO 34 Ca -0.41 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1t6i h PRO 34 Cb 1.33 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1t6i h PRO 34 CO 0.98 0.44 0.09 1.25 -0.21 0.00 0.00 178.00 180.56 1t6i h HIS 35 N 0.69 1.19 -0.29 0.65 2.76 -1.99 -1.97 115.15 116.19 1t6i h HIS 35 Ca 0.54 -0.17 -0.17 0.00 -2.20 0.00 0.00 60.37 58.36 1t6i h HIS 35 Cb 0.94 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 1t6i h HIS 35 CO -0.00 1.00 -0.51 0.35 -1.30 0.00 0.00 177.93 177.46 1t6i h PHE 36 N 1.04 1.01 -0.94 5.26 3.04 -1.82 -1.51 116.94 123.02 1t6i h PHE 36 Ca 0.20 -0.35 -0.01 0.00 3.98 0.00 0.00 57.97 61.79 1t6i h PHE 36 Cb 0.46 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 1t6i h PHE 36 CO 0.03 1.16 0.55 1.96 -2.02 0.00 0.00 178.31 179.99 1t6i h GLN 37 N 0.63 1.28 -0.10 1.11 1.08 -1.34 -0.90 115.11 116.87 1t6i h GLN 37 Ca 0.02 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1t6i h GLN 37 Cb 1.10 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1t6i h GLN 37 CO 0.11 0.91 -0.01 1.15 -0.95 0.00 0.00 178.83 180.04 1t6i h THR 38 N 1.30 1.27 -0.59 -0.54 2.02 -1.22 -1.97 112.91 113.17 1t6i h THR 38 Ca 0.33 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1t6i h THR 38 Cb -0.03 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1t6i h THR 38 CO -0.06 0.24 0.27 0.03 0.37 0.00 0.00 175.52 176.38 1t6i h ARG 39 N -0.11 0.86 0.00 6.66 3.08 -1.11 -2.23 114.38 121.53 1t6i h ARG 39 Ca 0.03 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1t6i h ARG 39 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1t6i h ARG 39 CO 0.01 0.71 -0.32 0.00 -1.07 0.00 0.00 179.97 179.30 1t6i h ALA 40 N 1.11 1.14 -0.13 0.04 0.00 -1.14 -1.55 119.26 118.73 1t6i h ALA 40 Ca 0.20 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1t6i h ALA 40 Cb 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1t6i h ALA 40 CO -0.02 0.40 -0.81 1.15 0.00 0.00 0.00 179.25 179.96 1t6i h THR 41 N 0.00 1.28 -0.27 0.00 2.02 -0.98 -0.99 112.91 113.98 1t6i h THR 41 Ca -0.00 -2.02 -0.02 0.00 0.77 0.00 0.00 66.41 65.13 1t6i h THR 41 Cb 0.72 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1t6i h THR 41 CO 0.04 0.64 0.07 0.58 0.37 0.00 0.00 175.52 177.22 1t6i h VAL 42 N 0.51 1.21 -0.52 3.16 2.07 -1.12 -1.72 116.25 119.83 1t6i h VAL 42 Ca -0.06 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1t6i h VAL 42 Cb 1.44 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1t6i h VAL 42 CO 0.16 0.22 -0.08 0.40 0.02 0.00 0.00 177.57 178.29 1t6i h ILE 43 N 0.27 1.26 -0.58 4.57 2.04 -1.28 -2.04 117.51 121.75 1t6i h ILE 43 Ca 0.09 -1.20 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1t6i h ILE 43 Cb 0.26 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1t6i h ILE 43 CO -0.00 0.42 0.07 0.50 0.00 0.00 0.00 178.15 179.14 1t6i h LYS 44 N 0.85 0.95 0.00 2.37 3.64 -1.07 -1.00 116.57 122.31 1t6i h LYS 44 Ca 0.14 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1t6i h LYS 44 Cb 0.61 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1t6i h LYS 44 CO 0.04 0.90 -0.39 1.49 -2.27 0.00 0.00 179.45 179.22 1t6i h GLU 45 N 0.89 0.00 0.03 1.90 4.57 -1.02 -1.54 114.58 119.41 1t6i h GLU 45 Ca 0.18 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1t6i h GLU 45 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1t6i h GLU 45 CO 0.01 0.39 -0.01 0.37 -1.18 0.00 0.00 179.01 178.59 1t6i h GLN 46 N 0.00 -0.04 0.00 1.92 4.15 -0.66 -3.20 115.11 117.28 1t6i h GLN 46 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 1t6i h GLN 46 Cb 0.73 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1t6i h GLN 46 CO 0.05 0.66 -0.42 0.00 -1.93 0.00 0.00 178.83 177.19 1t6i h ARG 47 N -0.87 0.00 -0.29 1.69 2.47 -1.18 -2.48 114.38 113.71 1t6i h ARG 47 Ca -0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1t6i h ARG 47 Cb 0.72 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1t6i h ARG 47 CO 0.01 0.42 -0.08 0.00 0.56 0.00 0.00 179.97 180.88 1t6i h ALA 48 N 1.58 0.40 0.00 0.04 0.00 -1.41 0.03 119.26 119.90 1t6i h ALA 48 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1t6i h ALA 48 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1t6i h ALA 48 CO 0.06 0.23 -0.20 1.49 0.00 0.00 0.00 179.25 180.82 1t6i h GLU 49 N 0.32 0.00 0.01 0.00 4.57 -1.53 -0.83 114.58 117.11 1t6i h GLU 49 Ca 0.07 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.00 1t6i h GLU 49 Cb 0.57 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1t6i h GLU 49 CO 0.03 0.20 -1.02 -0.07 -1.18 0.00 0.00 179.01 176.97 1t6i h LEU 50 N 0.00 0.77 -0.73 1.64 3.38 -1.18 -1.60 115.31 117.59 1t6i h LEU 50 Ca -0.00 -0.62 -0.12 0.00 0.09 0.00 0.00 57.88 57.22 1t6i h LEU 50 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1t6i h LEU 50 CO 0.03 1.43 -0.31 0.00 0.09 0.00 0.00 178.44 179.67 1t6i h ALA 51 N 0.52 0.90 -0.02 1.53 0.00 -0.65 -1.93 119.26 119.61 1t6i h ALA 51 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1t6i h ALA 51 Cb 1.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1t6i h ALA 51 CO 0.19 0.62 -0.41 0.87 0.00 0.00 0.00 179.25 180.53 1t6i h LYS 52 N 0.53 0.05 -0.07 0.00 1.57 -1.09 -2.18 116.57 115.38 1t6i h LYS 52 Ca 0.06 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1t6i h LYS 52 Cb 0.80 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1t6i h LYS 52 CO 0.07 0.45 -0.08 1.25 -0.57 0.00 0.00 179.45 180.57 1t6i h HIS 53 N 0.04 0.22 -0.30 -1.35 2.76 -0.81 -2.47 115.15 113.25 1t6i h HIS 53 Ca 0.00 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 58.05 1t6i h HIS 53 Cb 0.74 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 1t6i h HIS 53 CO 0.00 0.63 -0.04 0.45 -1.30 0.00 0.00 177.93 177.67 1t6i h HIS 54 N -0.26 0.49 -0.24 5.26 3.86 -1.22 -0.75 115.15 122.29 1t6i h HIS 54 Ca 0.01 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.06 1t6i h HIS 54 Cb 0.60 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 1t6i h HIS 54 CO 0.09 0.51 -0.27 0.28 0.86 0.00 0.00 177.93 179.41 1t6i h VAL 55 N 0.45 1.32 -0.46 2.45 2.07 -1.44 -2.94 116.25 117.69 1t6i h VAL 55 Ca 0.09 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1t6i h VAL 55 Cb 0.36 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1t6i h VAL 55 CO 0.01 0.45 0.19 -1.28 0.02 0.00 0.00 177.57 176.97 1t6i h SER 56 N 0.30 0.64 -0.32 0.57 0.87 -1.13 -2.78 113.55 111.70 1t6i h SER 56 Ca 0.03 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1t6i h SER 56 Cb 0.83 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1t6i h SER 56 CO 0.06 0.63 0.11 0.58 -0.53 0.00 0.00 176.83 177.68 1t6i h VAL 57 N 0.61 1.17 -0.07 2.23 2.07 -1.17 -0.44 116.25 120.65 1t6i h VAL 57 Ca 0.16 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1t6i h VAL 57 Cb 0.19 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1t6i h VAL 57 CO -0.01 0.21 0.03 -0.07 0.02 0.00 0.00 177.57 177.75 1t6i h LEU 58 N 0.56 0.09 -1.05 2.57 3.38 -1.31 -0.23 115.31 119.30 1t6i h LEU 58 Ca 0.13 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1t6i h LEU 58 Cb 0.19 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1t6i h LEU 58 CO -0.01 0.18 0.10 -0.25 0.09 0.00 0.00 178.44 178.55 1t6i h TRP 59 N -0.01 0.80 0.07 1.13 7.01 -1.14 -0.29 115.95 123.51 1t6i h TRP 59 Ca 0.02 -0.08 -0.33 0.00 2.11 0.00 0.00 58.89 60.61 1t6i h TRP 59 Cb 0.12 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1t6i h TRP 59 CO -0.03 0.69 -1.88 -1.13 -2.79 0.00 0.00 178.44 173.29 1t6i n SER 60 N -4.27 1.53 -0.07 2.65 3.41 -0.23 -4.32 113.62 112.32 1t6i n SER 60 Ca 0.03 0.29 -0.07 0.00 -0.26 0.00 0.00 58.87 58.86 1t6i n SER 60 Cb 0.24 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 1t6i n SER 60 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1t6i n ASP 61 N -3.27 1.64 -0.07 4.04 8.00 -0.11 -4.82 116.55 121.96 1t6i n ASP 61 Ca -0.25 -0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.19 1t6i n ASP 61 Cb 1.05 0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 42.88 1t6i n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t6i n TYR 62 N -2.56 0.81 -1.73 1.24 9.36 -0.39 -4.87 117.16 119.02 1t6i n TYR 62 Ca -0.24 0.35 -0.41 0.00 3.32 0.00 0.00 57.90 60.93 1t6i n TYR 62 Cb 0.95 -0.72 -0.03 0.00 -0.63 0.00 0.00 39.34 38.91 1t6i n TYR 62 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1t6i s PHE 63 N -2.19 1.34 0.46 2.98 2.99 -0.26 -5.00 117.98 118.31 1t6i s PHE 63 Ca -0.15 0.82 0.00 0.00 0.00 0.00 0.00 56.93 57.61 1t6i s PHE 63 Cb 0.02 -3.91 0.00 0.00 0.00 0.00 0.00 43.02 39.13 1t6i s PHE 63 CO 0.22 -3.30 0.68 0.15 -0.00 0.00 0.00 175.22 172.96 1t6i s LYS 64 N 6.69 3.01 0.51 0.44 1.02 -1.26 -4.75 119.74 125.40 1t6i s LYS 64 Ca 0.92 -0.52 0.31 0.00 0.02 0.00 0.00 55.97 56.70 1t6i s LYS 64 Cb -0.25 -2.55 1.44 0.00 -0.52 0.00 0.00 37.83 35.95 1t6i s LYS 64 CO 0.31 -0.32 1.82 -1.35 -0.92 0.00 0.00 175.35 174.90 1t6i h PRO 65 N 0.37 0.08 0.00 -1.68 0.11 -1.99 -2.41 132.00 126.48 1t6i h PRO 65 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1t6i h PRO 65 Cb 1.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1t6i h PRO 65 CO 0.57 0.06 -0.11 -1.35 -0.21 0.00 0.00 178.00 176.96 1t6i h PRO 66 N 0.09 0.00 -0.02 1.05 0.11 -2.00 -2.78 132.00 128.44 1t6i h PRO 66 Ca 0.53 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.45 1t6i h PRO 66 Cb 1.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.05 1t6i h PRO 66 CO -0.07 0.11 -0.82 0.45 -0.21 0.00 0.00 178.00 177.46 1t6i h HIS 67 N 0.00 0.39 0.00 0.65 3.86 -1.83 -2.38 115.15 115.84 1t6i h HIS 67 Ca -0.00 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1t6i h HIS 67 Cb 0.30 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1t6i h HIS 67 CO 0.00 0.98 -0.07 0.74 0.86 0.00 0.00 177.93 180.43 1t6i h PHE 68 N 0.17 0.00 0.11 2.45 0.05 -1.59 0.62 116.94 118.75 1t6i h PHE 68 Ca -0.04 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 61.43 1t6i h PHE 68 Cb 1.42 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.36 1t6i h PHE 68 CO 0.04 0.07 -1.68 0.93 -0.18 0.00 0.00 178.31 177.49 1t6i h GLU 69 N 0.00 0.24 0.00 1.51 5.08 -1.53 -3.24 114.58 116.64 1t6i h GLU 69 Ca -0.00 -0.41 -0.16 0.00 -1.00 0.00 0.00 59.36 57.79 1t6i h GLU 69 Cb 0.84 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1t6i h GLU 69 CO 0.01 1.08 -0.78 -0.22 -1.00 0.00 0.00 179.01 178.09 1t6i h LYS 70 N 0.06 0.00 -3.03 2.33 3.64 -1.33 -3.38 116.57 114.86 1t6i h LYS 70 Ca -0.30 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.47 1t6i h LYS 70 Cb 2.03 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.45 1t6i h LYS 70 CO 0.14 0.78 -0.74 0.71 -2.27 0.00 0.00 179.45 178.07 1t6i s TYR 71 N -3.18 1.97 -0.69 1.91 1.51 0.20 -4.98 117.35 114.09 1t6i s TYR 71 Ca -0.00 -2.38 0.20 0.00 -1.01 0.00 0.00 57.07 53.88 1t6i s TYR 71 Cb 0.11 -1.88 0.84 0.00 -0.11 0.00 0.00 41.96 40.92 1t6i s TYR 71 CO 0.79 -0.79 1.61 -0.35 -1.11 0.00 0.00 175.55 175.70 1t6i n PRO 72 N 3.64 0.12 0.00 -1.71 -0.04 -1.22 -2.72 135.00 133.06 1t6i n PRO 72 Ca 0.08 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1t6i n PRO 72 Cb 0.35 -1.73 0.11 0.00 -0.04 0.00 0.00 33.50 32.19 1t6i n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1t6i n GLU 73 N -1.95 0.44 -0.23 0.54 0.00 -1.26 -4.48 120.64 113.70 1t6i n GLU 73 Ca 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 57.16 56.83 1t6i n GLU 73 Cb 0.21 -1.49 0.07 0.00 0.00 0.00 0.00 31.44 30.22 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 0.79 0.65 -0.55 -1.84 5.85 -1.87 -1.13 115.31 117.22 1t6i h LEU 74 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1t6i h LEU 74 Cb 0.56 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1t6i h LEU 74 CO 0.00 0.45 0.18 0.45 -0.34 0.00 0.00 178.44 179.18 1t6i h HIS 75 N 0.78 0.30 -0.01 1.25 3.86 -1.81 -2.07 115.15 117.45 1t6i h HIS 75 Ca 0.26 0.03 -0.23 0.00 -1.16 0.00 0.00 60.37 59.27 1t6i h HIS 75 Cb 0.02 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1t6i h HIS 75 CO -0.05 0.07 -0.92 0.37 0.86 0.00 0.00 177.93 178.25 1t6i h GLN 76 N 0.34 0.46 -0.84 2.45 5.75 -1.80 -2.97 115.11 118.50 1t6i h GLN 76 Ca 0.27 -0.47 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1t6i h GLN 76 Cb 0.34 0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 1t6i h GLN 76 CO -0.30 1.12 0.49 1.25 -2.65 0.00 0.00 178.83 178.74 1t6i h LEU 77 N 0.27 1.01 -0.34 -2.39 5.85 -0.85 0.13 115.31 119.00 1t6i h LEU 77 Ca -0.08 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 1t6i h LEU 77 Cb 1.56 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1t6i h LEU 77 CO 0.16 0.79 -0.31 0.58 -0.34 0.00 0.00 178.44 179.33 1t6i h VAL 78 N 1.16 1.29 -0.27 1.05 2.07 -1.41 -2.06 116.25 118.08 1t6i h VAL 78 Ca 0.30 -1.47 -0.12 0.00 0.82 0.00 0.00 66.70 66.23 1t6i h VAL 78 Cb -0.02 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1t6i h VAL 78 CO -0.05 0.48 -0.32 -1.13 0.02 0.00 0.00 177.57 176.57 1t6i h ASN 79 N 0.58 0.58 0.67 0.57 -0.73 -1.26 -1.64 115.58 114.35 1t6i h ASN 79 Ca 0.06 -0.23 -0.08 0.00 1.87 0.00 0.00 56.30 57.92 1t6i h ASN 79 Cb 0.88 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1t6i h ASN 79 CO 0.08 0.87 -0.36 0.44 -0.37 0.00 0.00 177.43 178.08 1t6i h ASP 80 N 0.48 0.00 -0.03 1.15 3.32 -0.67 -2.28 116.42 118.39 1t6i h ASP 80 Ca 0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1t6i h ASP 80 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1t6i h ASP 80 CO 0.06 0.36 -0.21 0.74 -1.72 0.00 0.00 179.24 178.48 1t6i h THR 81 N 0.00 1.49 0.00 0.35 2.02 -0.94 -1.36 112.91 114.46 1t6i h THR 81 Ca -0.00 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.42 1t6i h THR 81 Cb 0.80 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1t6i h THR 81 CO 0.05 0.48 -0.12 -0.07 0.37 0.00 0.00 175.52 176.23 1t6i h LEU 82 N -0.39 0.00 0.02 2.58 3.38 -1.23 -2.60 115.31 117.07 1t6i h LEU 82 Ca -0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1t6i h LEU 82 Cb 0.89 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1t6i h LEU 82 CO 0.04 0.12 -1.44 0.11 0.09 0.00 0.00 178.44 177.36 1t6i h LYS 83 N 0.00 0.04 -0.98 1.13 1.57 -1.43 -2.37 116.57 114.53 1t6i h LYS 83 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1t6i h LYS 83 Cb 0.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1t6i h LYS 83 CO 0.02 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1t6i n ALA 84 N -2.50 1.79 0.00 3.86 0.00 -0.52 -1.30 120.51 121.84 1t6i n ALA 84 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1t6i n ALA 84 Cb 1.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 0.52 0.00 -0.04 0.00 7.64 -0.89 -1.65 113.62 119.19 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 0.16 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.26 -0.26 -0.43 0.00 -1.49 -3.10 119.26 114.24 1t6i h ALA 87 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1t6i h ALA 87 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1t6i h ALA 87 CO 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.53 1t6i h ALA 88 N 0.54 1.28 -0.17 0.00 0.00 -1.54 -2.27 119.26 117.10 1t6i h ALA 88 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1t6i h ALA 88 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1t6i h ALA 88 CO 0.10 0.48 -0.09 -0.22 0.00 0.00 0.00 179.25 179.52 1t6i h LYS 89 N 0.41 0.26 -0.35 0.00 3.64 -1.84 -2.66 116.57 116.03 1t6i h LYS 89 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1t6i h LYS 89 Cb 0.49 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1t6i h LYS 89 CO 0.03 0.37 0.00 0.41 -2.27 0.00 0.00 179.45 177.99 1t6i n GLY 90 N -0.94 3.75 3.05 5.01 0.00 -0.90 -4.72 105.19 110.44 1t6i n GLY 90 Ca -0.00 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.61 1.06 0.00 1.61 0.15 -0.96 -5.02 113.70 108.93 1t6i s SER 91 Ca 0.46 -0.31 0.24 0.00 0.70 0.00 0.00 55.95 57.04 1t6i s SER 91 Cb 0.36 -0.07 0.29 0.00 -1.71 0.00 0.00 66.02 64.90 1t6i s SER 91 CO 0.11 0.01 1.27 0.29 1.20 0.00 0.00 173.24 176.11 1t6i n LYS 92 N 2.32 0.36 -2.33 5.44 5.02 -1.26 -4.85 118.16 122.86 1t6i n LYS 92 Ca -0.17 -0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 55.44 1t6i n LYS 92 Cb 0.56 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.81 6.83 0.66 4.39 -1.08 -1.26 -4.65 116.67 118.74 1t6i s ASP 93 Ca 0.14 1.72 0.43 0.00 -0.52 0.00 0.00 52.55 54.33 1t6i s ASP 93 Cb 0.18 -2.54 2.38 0.00 -1.46 0.00 0.00 42.92 41.48 1t6i s ASP 93 CO 0.69 -0.86 2.37 -0.65 0.52 0.00 0.00 175.17 177.24 1t6i h PRO 94 N 8.71 0.00 -0.31 4.34 0.11 -1.89 -2.46 132.00 140.50 1t6i h PRO 94 Ca -0.29 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 1t6i h PRO 94 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1t6i h PRO 94 CO 0.98 0.00 -0.50 0.00 -0.21 0.00 0.00 178.00 178.27 1t6i h ALA 95 N 2.00 0.48 0.00 -0.75 0.00 -1.97 -1.53 119.26 117.50 1t6i h ALA 95 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1t6i h ALA 95 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1t6i h ALA 95 CO -0.00 0.66 -0.18 1.79 0.00 0.00 0.00 179.25 181.52 1t6i h THR 96 N 0.68 1.04 0.04 0.00 1.35 -1.83 0.24 112.91 114.43 1t6i h THR 96 Ca 0.03 -0.64 -0.23 0.00 -0.55 0.00 0.00 66.41 65.02 1t6i h THR 96 Cb 1.10 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1t6i h THR 96 CO 0.11 0.18 -1.06 1.23 -0.25 0.00 0.00 175.52 175.73 1t6i h GLY 97 N 0.62 0.13 2.00 5.82 0.00 -1.58 -2.94 103.07 107.12 1t6i h GLY 97 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1t6i h GLY 97 CO 0.02 0.27 -0.46 -1.61 0.00 0.00 0.00 176.54 174.77 1t6i h GLN 98 N 0.04 0.00 -0.27 4.80 5.75 -0.13 -2.64 115.11 122.66 1t6i h GLN 98 Ca -0.06 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.26 1t6i h GLN 98 Cb 1.79 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.34 1t6i h GLN 98 CO 0.15 0.46 -0.56 -0.22 -2.65 0.00 0.00 178.83 176.02 1t6i h LYS 99 N 0.00 0.82 -0.51 1.69 3.64 -0.60 -2.26 116.57 119.34 1t6i h LYS 99 Ca -0.00 -0.52 -0.12 0.00 -1.27 0.00 0.00 60.65 58.73 1t6i h LYS 99 Cb 1.24 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1t6i h LYS 99 CO 0.06 1.15 -0.16 0.00 -2.27 0.00 0.00 179.45 178.23 1t6i h ALA 100 N 0.74 0.75 -0.31 5.00 0.00 -1.43 -2.61 119.26 121.40 1t6i h ALA 100 Ca 0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1t6i h ALA 100 Cb 1.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1t6i h ALA 100 CO 0.12 0.67 -0.09 -0.07 0.00 0.00 0.00 179.25 179.88 1t6i h LEU 101 N 0.88 0.49 -0.87 0.00 3.38 -1.40 -2.32 115.31 115.47 1t6i h LEU 101 Ca 0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1t6i h LEU 101 Cb 0.73 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1t6i h LEU 101 CO 0.06 0.63 -0.37 0.44 0.09 0.00 0.00 178.44 179.28 1t6i h ASP 102 N 0.48 0.00 0.60 -0.43 3.45 -1.13 -1.42 116.42 117.97 1t6i h ASP 102 Ca 0.09 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 57.27 1t6i h ASP 102 Cb 0.45 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.23 1t6i h ASP 102 CO 0.02 0.37 -1.27 1.88 -1.57 0.00 0.00 179.24 178.68 1t6i h TYR 103 N 0.00 0.53 -0.17 4.55 -1.99 -1.16 -3.12 116.97 115.61 1t6i h TYR 103 Ca -0.00 -0.38 -0.11 0.00 2.00 0.00 0.00 58.73 60.23 1t6i h TYR 103 Cb 0.93 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1t6i h TYR 103 CO 0.00 1.30 -0.39 0.82 -0.00 0.00 0.00 178.16 179.90 1t6i h ILE 104 N 0.08 1.30 -0.10 -2.88 2.04 -1.24 -2.44 117.51 114.28 1t6i h ILE 104 Ca -0.15 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.15 1t6i h ILE 104 Cb 1.99 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 1t6i h ILE 104 CO 0.21 0.46 -0.23 0.00 0.00 0.00 0.00 178.15 178.58 1t6i h ALA 105 N 1.29 1.44 0.00 1.87 0.00 -1.28 0.11 119.26 122.68 1t6i h ALA 105 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1t6i h ALA 105 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1t6i h ALA 105 CO 0.07 0.40 -0.62 1.96 0.00 0.00 0.00 179.25 181.05 1t6i h GLN 106 N 0.15 0.00 0.08 0.00 4.20 -1.39 -2.50 115.11 115.65 1t6i h GLN 106 Ca 0.03 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.47 1t6i h GLN 106 Cb 0.50 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.30 1t6i h GLN 106 CO 0.03 0.62 -1.14 0.82 -0.67 0.00 0.00 178.83 178.49 1t6i h ILE 107 N 0.00 1.37 -0.40 2.54 2.04 -0.92 -3.12 117.51 119.02 1t6i h ILE 107 Ca -0.01 -2.58 -0.06 0.00 1.00 0.00 0.00 64.86 63.22 1t6i h ILE 107 Cb 1.22 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 1t6i h ILE 107 CO 0.08 0.77 0.01 -0.78 0.00 0.00 0.00 178.15 178.23 1t6i h ASP 108 N 0.22 0.59 -0.09 1.72 3.58 -0.71 -0.00 116.42 121.73 1t6i h ASP 108 Ca -0.14 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 1t6i h ASP 108 Cb 1.81 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.71 1t6i h ASP 108 CO 0.21 0.65 -0.01 0.50 -2.88 0.00 0.00 179.24 177.71 1t6i h LYS 109 N 0.59 0.17 -0.51 0.28 3.64 -1.51 -2.77 116.57 116.46 1t6i h LYS 109 Ca 0.12 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1t6i h LYS 109 Cb 0.36 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1t6i h LYS 109 CO 0.01 0.45 -0.03 0.82 -2.27 0.00 0.00 179.45 178.43 1t6i h ILE 110 N -0.13 1.25 0.08 2.00 2.04 -1.46 -3.00 117.51 118.30 1t6i h ILE 110 Ca 0.03 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.81 1t6i h ILE 110 Cb 0.38 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1t6i h ILE 110 CO 0.01 0.39 -0.24 0.15 0.00 0.00 0.00 178.15 178.45 1t6i h PHE 111 N 0.81 -0.65 0.00 1.37 3.57 -0.88 -2.69 116.94 118.47 1t6i h PHE 111 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1t6i h PHE 111 Cb 0.52 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1t6i h PHE 111 CO 0.03 -0.34 0.00 -1.49 -2.23 0.00 0.00 178.31 174.28 1t6i h TRP 112 N -0.42 0.00 0.00 0.41 4.06 -1.47 -2.88 115.95 115.64 1t6i h TRP 112 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1t6i h TRP 112 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1t6i h TRP 112 CO -0.24 0.00 0.00 0.93 -3.56 0.00 0.00 178.44 175.57 1t6i h GLU 113 N 0.00 0.00 -0.01 0.49 5.08 -1.33 -2.65 114.58 116.16 1t6i h GLU 113 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t6i h GLU 113 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1t6i h GLU 113 CO 0.00 0.00 -0.43 0.25 -1.00 0.00 0.00 179.01 177.83 1t6i n THR 114 N -2.59 0.00 -0.05 1.13 -2.24 -1.09 -4.19 114.28 105.25 1t6i n THR 114 Ca 0.03 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1t6i n THR 114 Cb 0.37 1.24 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.06 0.66 -0.05 -0.78 4.76 -1.01 -4.59 118.16 117.09 1t6i n LYS 115 Ca 0.08 0.16 -0.05 0.00 -2.87 0.00 0.00 58.31 55.62 1t6i n LYS 115 Cb 0.43 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 31.90 1t6i n LYS 115 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1t6i h LYS 116 N 0.00 -0.02 0.00 1.97 1.57 -1.72 -3.52 116.57 114.85 1t6i h LYS 116 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1t6i h LYS 116 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.41 1t6i h LYS 116 CO 0.06 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.28