#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htj n ARG 9 N 0.00 0.67 -0.32 3.44 3.00 -1.26 -3.37 116.66 118.82 3htj n ARG 9 Ca 0.00 0.08 0.18 0.00 -0.01 0.00 0.00 57.85 58.10 3htj n ARG 9 Cb 0.00 -1.53 0.43 0.00 0.00 0.00 0.00 32.46 31.35 3htj n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3htj h ARG 10 N 0.00 0.54 0.42 5.56 2.47 -1.97 0.56 114.38 121.96 3htj h ARG 10 Ca -0.55 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.11 3htj h ARG 10 Cb 2.07 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.27 3htj h ARG 10 CO -0.02 0.36 -0.20 1.96 0.56 0.00 0.00 179.97 182.62 3htj h GLN 11 N 0.55 -0.55 -1.08 0.04 1.08 -1.99 0.18 115.11 113.35 3htj h GLN 11 Ca 0.57 0.04 0.31 0.00 -1.45 0.00 0.00 58.65 58.12 3htj h GLN 11 Cb 1.20 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.71 3htj h GLN 11 CO -0.33 -0.36 0.81 -0.09 -0.95 0.00 0.00 178.83 177.90 3htj h ARG 12 N -0.95 0.00 0.00 1.46 9.65 -1.31 0.27 114.38 123.50 3htj h ARG 12 Ca -0.06 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.75 3htj h ARG 12 Cb 0.44 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3htj h ARG 12 CO 0.10 0.00 -1.39 0.44 2.80 0.00 0.00 179.97 181.92 3htj n ILE 13 N -4.10 0.73 -0.03 1.20 -5.35 0.19 -3.82 119.36 108.17 3htj n ILE 13 Ca 0.23 -0.60 -0.15 0.00 -0.27 0.00 0.00 62.75 61.96 3htj n ILE 13 Cb 1.17 -0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 38.57 3htj n ILE 13 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3htj h ILE 14 N 0.00 1.42 0.00 7.28 2.04 0.26 -2.81 117.51 125.71 3htj h ILE 14 Ca -0.08 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 3htj h ILE 14 Cb 1.25 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3htj h ILE 14 CO 0.02 0.48 -0.03 0.44 0.00 0.00 0.00 178.15 179.06 3htj h ASP 15 N -0.16 0.00 1.16 1.72 3.32 -1.49 0.43 116.42 121.39 3htj h ASP 15 Ca -0.02 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3htj h ASP 15 Cb 0.93 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3htj h ASP 15 CO 0.06 0.03 -0.38 0.00 -1.72 0.00 0.00 179.24 177.24 3htj h ALA 16 N 1.97 0.87 0.13 3.45 0.00 -1.62 -1.58 119.26 122.48 3htj h ALA 16 Ca -0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 3htj h ALA 16 Cb 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.93 3htj h ALA 16 CO 0.00 0.47 -1.26 0.00 0.00 0.00 0.00 179.25 178.46 3htj h ALA 17 N 1.62 0.00 0.00 0.00 0.00 -0.67 -1.09 119.26 119.13 3htj h ALA 17 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 3htj h ALA 17 Cb 1.06 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3htj h ALA 17 CO 0.05 0.72 -0.56 0.82 0.00 0.00 0.00 179.25 180.27 3htj h ILE 18 N 0.25 1.26 0.05 0.00 2.04 -1.43 0.75 117.51 120.43 3htj h ILE 18 Ca -0.19 -2.03 -0.25 0.00 1.00 0.00 0.00 64.86 63.39 3htj h ILE 18 Cb 1.94 2.14 0.01 0.00 -0.74 0.00 0.00 36.82 40.16 3htj h ILE 18 CO 0.24 0.55 -1.06 -0.09 0.00 0.00 0.00 178.15 177.79 3htj h ARG 19 N 0.00 0.42 0.02 2.37 2.43 -1.32 -1.76 114.38 116.53 3htj h ARG 19 Ca -0.01 -0.52 -0.20 0.00 -0.81 0.00 0.00 59.98 58.44 3htj h ARG 19 Cb 1.09 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3htj h ARG 19 CO 0.07 1.18 -0.94 0.28 -1.51 0.00 0.00 179.97 179.06 3htj h VAL 20 N 0.21 1.56 0.09 0.20 2.07 -0.90 -2.36 116.25 117.12 3htj h VAL 20 Ca -0.11 -2.87 -0.00 0.00 0.82 0.00 0.00 66.70 64.53 3htj h VAL 20 Cb 1.72 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 3htj h VAL 20 CO 0.18 0.83 -0.04 0.58 0.02 0.00 0.00 177.57 179.14 3htj h VAL 21 N 0.06 0.99 -1.17 2.57 2.07 -0.94 0.99 116.25 120.82 3htj h VAL 21 Ca -0.04 -1.42 0.35 0.00 0.82 0.00 0.00 66.70 66.41 3htj h VAL 21 Cb 1.61 1.74 -0.11 0.00 -1.52 0.00 0.00 31.29 33.01 3htj h VAL 21 CO 0.14 0.29 0.76 1.23 0.02 0.00 0.00 177.57 180.00 3htj h GLY 22 N -0.90 1.24 0.00 2.17 0.00 -1.39 1.30 103.07 105.48 3htj h GLY 22 Ca -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3htj h GLY 22 CO 0.02 -0.26 -0.96 -1.06 0.00 0.00 0.00 176.54 174.27 3htj n GLN 23 N -4.65 0.51 0.00 4.80 6.02 -0.89 -4.64 117.38 118.53 3htj n GLN 23 Ca 0.31 0.51 0.11 0.00 -0.01 0.00 0.00 57.00 57.92 3htj n GLN 23 Cb 1.15 -1.69 0.01 0.00 1.02 0.00 0.00 30.24 30.73 3htj n GLN 23 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3htj n LYS 24 N -4.51 0.34 -0.88 -1.09 4.76 0.34 -5.08 118.16 112.05 3htj n LYS 24 Ca -0.20 -0.27 0.04 0.00 -2.87 0.00 0.00 58.31 55.01 3htj n LYS 24 Cb 0.48 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 3htj n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3htj n GLY 25 N 1.47 -3.34 0.25 0.72 0.00 0.44 -3.15 105.19 101.58 3htj n GLY 25 Ca 0.06 -1.11 0.07 0.00 0.00 0.00 0.00 46.02 45.04 3htj n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3htj n ILE 26 N -2.66 -0.30 -0.05 -0.61 5.41 -1.26 0.45 119.36 120.34 3htj n ILE 26 Ca -0.02 1.61 0.25 0.00 1.00 0.00 0.00 62.75 65.59 3htj n ILE 26 Cb 0.33 -2.29 0.71 0.00 -0.71 0.00 0.00 39.64 37.68 3htj n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3htj h ALA 27 N 1.44 2.50 -0.75 -1.39 0.00 -1.97 0.28 119.26 119.36 3htj h ALA 27 Ca 0.39 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 55.01 3htj h ALA 27 Cb 0.70 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.38 3htj h ALA 27 CO -0.71 -0.97 0.34 0.41 0.00 0.00 0.00 179.25 178.32 3htj n GLY 28 N -1.60 3.68 3.20 0.00 0.00 0.17 -4.86 105.19 105.78 3htj n GLY 28 Ca 0.14 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3htj n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3htj s LEU 29 N -2.83 3.29 0.08 0.99 2.96 0.97 -4.86 118.68 119.27 3htj s LEU 29 Ca 0.52 -0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 3htj s LEU 29 Cb 0.42 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3htj s LEU 29 CO 0.12 -0.14 0.09 -0.94 -1.32 0.00 0.00 176.35 174.16 3htj s SER 30 N 1.32 0.30 0.23 3.68 1.04 -1.26 -4.97 113.70 114.03 3htj s SER 30 Ca -0.00 -0.87 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 3htj s SER 30 Cb -0.17 0.28 0.37 0.00 0.10 0.00 0.00 66.02 66.60 3htj s SER 30 CO -0.04 -0.68 1.74 0.45 0.98 0.00 0.00 173.24 175.69 3htj h HIS 31 N 2.92 0.46 -0.34 5.02 -0.00 -1.98 0.24 115.15 121.47 3htj h HIS 31 Ca -0.34 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3htj h HIS 31 Cb 1.17 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 3htj h HIS 31 CO 0.47 0.09 0.22 -0.09 -0.00 0.00 0.00 177.93 178.62 3htj h ARG 32 N 0.43 0.45 -0.40 2.45 9.65 -1.96 0.15 114.38 125.16 3htj h ARG 32 Ca 0.36 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.29 3htj h ARG 32 Cb 0.49 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.91 3htj h ARG 32 CO -0.35 0.31 -0.02 0.00 2.80 0.00 0.00 179.97 182.71 3htj h THR 33 N 0.46 0.68 0.08 0.20 1.03 -0.97 -2.38 112.91 112.01 3htj h THR 33 Ca 0.12 -0.03 -0.29 0.00 -0.01 0.00 0.00 66.41 66.21 3htj h THR 33 Cb -0.04 0.58 0.02 0.00 -1.07 0.00 0.00 68.15 67.65 3htj h THR 33 CO -0.03 0.02 -1.18 -0.37 -0.01 0.00 0.00 175.52 173.95 3htj h VAL 34 N 0.09 1.30 -0.46 0.00 -1.51 -0.78 -3.19 116.25 111.69 3htj h VAL 34 Ca 0.20 -2.43 0.13 0.00 -1.23 0.00 0.00 66.70 63.37 3htj h VAL 34 Cb 0.29 2.61 -0.02 0.00 -2.13 0.00 0.00 31.29 32.04 3htj h VAL 34 CO -0.35 0.74 0.41 0.00 -1.23 0.00 0.00 177.57 177.15 3htj h ALA 35 N 0.36 2.27 0.02 5.19 0.00 -0.54 0.11 119.26 126.67 3htj h ALA 35 Ca -0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3htj h ALA 35 Cb 1.85 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.68 3htj h ALA 35 CO 0.22 -0.65 -0.54 0.00 0.00 0.00 0.00 179.25 178.28 3htj h ALA 36 N 1.61 0.04 0.41 0.00 0.00 -1.42 0.07 119.26 119.97 3htj h ALA 36 Ca 0.22 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3htj h ALA 36 Cb 1.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3htj h ALA 36 CO -0.00 0.29 -0.20 0.93 0.00 0.00 0.00 179.25 180.27 3htj h GLU 37 N -0.23 -0.53 -0.95 0.00 4.39 -1.14 -2.88 114.58 113.24 3htj h GLU 37 Ca -0.07 0.04 0.27 0.00 0.34 0.00 0.00 59.36 59.94 3htj h GLU 37 Cb 1.28 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 3htj h GLU 37 CO 0.11 -0.35 0.86 0.00 -1.16 0.00 0.00 179.01 178.47 3htj h ALA 38 N -1.66 2.80 -4.10 3.43 0.00 -1.00 -3.45 119.26 115.29 3htj h ALA 38 Ca -0.06 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3htj h ALA 38 Cb 0.42 0.07 0.10 0.00 0.00 0.00 0.00 17.79 18.38 3htj h ALA 38 CO 0.09 -1.35 -0.44 -3.47 0.00 0.00 0.00 179.25 174.08 3htj n ASP 39 N -3.74 -2.09 -4.17 0.00 -0.08 -0.93 -4.92 116.55 100.62 3htj n ASP 39 Ca 0.20 -0.36 -0.18 0.00 -1.51 0.00 0.00 54.79 52.95 3htj n ASP 39 Cb 1.18 -3.18 -0.10 0.00 2.34 0.00 0.00 41.12 41.36 3htj n ASP 39 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3htj s VAL 40 N -3.21 0.45 0.49 5.18 -7.23 -0.03 -5.03 120.40 111.02 3htj s VAL 40 Ca 0.01 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.96 3htj s VAL 40 Cb -0.00 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 3htj s VAL 40 CO 0.42 0.00 1.18 -2.16 -0.31 0.00 0.00 175.10 174.23 3htj s PRO 41 N -3.94 3.57 0.48 4.82 0.04 -1.26 -4.51 135.00 134.19 3htj s PRO 41 Ca 0.37 1.79 0.20 0.00 0.04 0.00 0.00 61.00 63.40 3htj s PRO 41 Cb 0.06 -2.28 1.22 0.00 0.04 0.00 0.00 34.50 33.54 3htj s PRO 41 CO 0.15 -0.71 1.95 1.25 0.04 0.00 0.00 177.00 179.68 3htj h LEU 42 N 1.75 0.21 -0.66 -3.56 5.85 -1.92 -1.47 115.31 115.50 3htj h LEU 42 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3htj h LEU 42 Cb 1.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3htj h LEU 42 CO 0.59 0.11 0.00 1.23 -0.34 0.00 0.00 178.44 180.03 3htj h GLY 43 N 0.22 0.00 0.93 3.75 0.00 -1.98 -2.29 103.07 103.70 3htj h GLY 43 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.35 3htj h GLY 43 CO -0.07 0.00 -1.75 -1.26 0.00 0.00 0.00 176.54 173.47 3htj n SER 44 N -2.73 1.10 -0.07 0.19 2.88 -0.57 -2.10 113.62 112.31 3htj n SER 44 Ca 0.03 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.83 3htj n SER 44 Cb 0.36 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 3htj n SER 44 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3htj h THR 45 N 0.01 1.32 -0.08 2.46 2.02 -1.48 -2.89 112.91 114.27 3htj h THR 45 Ca -0.31 -1.32 -0.10 0.00 0.77 0.00 0.00 66.41 65.46 3htj h THR 45 Cb 2.02 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 70.11 3htj h THR 45 CO 0.08 0.40 -0.38 0.71 0.37 0.00 0.00 175.52 176.70 3htj h THR 46 N 0.19 1.29 0.00 3.16 1.35 -1.53 -2.84 112.91 114.53 3htj h THR 46 Ca 0.04 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3htj h THR 46 Cb 0.71 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3htj h THR 46 CO 0.05 0.42 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 3htj n TYR 47 N -4.06 0.00 -0.15 4.73 9.36 -0.89 -3.40 117.16 122.75 3htj n TYR 47 Ca -0.01 0.00 0.27 0.00 3.32 0.00 0.00 57.90 61.48 3htj n TYR 47 Cb 0.45 -0.25 0.72 0.00 -0.63 0.00 0.00 39.34 39.62 3htj n TYR 47 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3htj h HIS 48 N 0.00 0.00 -2.99 2.98 3.86 -1.60 -3.33 115.15 114.07 3htj h HIS 48 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 3htj h HIS 48 Cb 0.00 -0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.07 3htj h HIS 48 CO 0.12 0.00 -0.76 -0.06 0.86 0.00 0.00 177.93 178.08 3htj s PHE 49 N -4.99 1.64 0.16 2.45 0.40 -1.07 -5.00 117.98 111.58 3htj s PHE 49 Ca -0.05 -1.99 -0.21 0.00 -0.60 0.00 0.00 56.93 54.07 3htj s PHE 49 Cb 0.21 -1.65 0.06 0.00 0.51 0.00 0.00 43.02 42.15 3htj s PHE 49 CO 0.77 -0.83 1.63 0.00 0.70 0.00 0.00 175.22 177.49 3htj h ALA 50 N 7.35 -0.04 -1.84 5.36 0.00 -1.67 -3.41 119.26 125.01 3htj h ALA 50 Ca -0.05 0.10 -0.55 0.00 0.00 0.00 0.00 54.91 54.41 3htj h ALA 50 Cb 0.97 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3htj h ALA 50 CO 0.44 -0.63 -0.54 -0.08 0.00 0.00 0.00 179.25 178.45 3htj s THR 51 N -6.10 2.86 0.21 0.00 -1.32 -1.26 -5.01 115.64 105.02 3htj s THR 51 Ca -0.15 -1.73 0.03 0.00 -1.21 0.00 0.00 61.69 58.64 3htj s THR 51 Cb 0.13 -2.95 -0.08 0.00 -1.51 0.00 0.00 72.50 68.09 3htj s THR 51 CO 0.69 -0.16 1.49 -0.07 -2.21 0.00 0.00 174.62 174.36 3htj h LEU 52 N 1.56 0.29 -1.74 9.08 3.38 -1.98 -3.02 115.31 122.87 3htj h LEU 52 Ca -0.43 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.48 3htj h LEU 52 Cb 1.25 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3htj h LEU 52 CO 0.64 0.89 0.43 0.44 0.09 0.00 0.00 178.44 180.94 3htj h ASP 53 N 0.17 0.25 -0.08 -0.43 3.45 -1.97 0.11 116.42 117.93 3htj h ASP 53 Ca -0.02 0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.31 3htj h ASP 53 Cb 1.25 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 39.98 3htj h ASP 53 CO 0.11 0.14 -0.50 0.44 -1.57 0.00 0.00 179.24 177.86 3htj h ASP 54 N 0.28 0.57 0.33 6.45 3.32 -1.92 -1.93 116.42 123.52 3htj h ASP 54 Ca 0.30 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3htj h ASP 54 Cb 0.79 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3htj h ASP 54 CO -0.07 1.15 0.00 -0.11 -1.72 0.00 0.00 179.24 178.50 3htj n LEU 55 N -4.25 0.00 -0.08 1.55 7.94 -0.51 -1.38 117.00 120.26 3htj n LEU 55 Ca -0.09 0.30 -0.17 0.00 -1.11 0.00 0.00 56.01 54.94 3htj n LEU 55 Cb 0.61 -0.30 -0.13 0.00 0.53 0.00 0.00 43.42 44.12 3htj n LEU 55 CO 0.46 -0.14 -1.13 0.80 -1.11 0.00 0.00 177.39 176.28 3htj n MET 56 N -1.30 0.68 0.03 1.96 1.56 0.27 -3.27 117.12 117.06 3htj n MET 56 Ca 0.08 0.17 -0.08 0.00 -0.27 0.00 0.00 57.70 57.60 3htj n MET 56 Cb 0.14 -1.59 0.09 0.00 2.15 0.00 0.00 33.22 34.01 3htj n MET 56 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3htj h VAL 57 N 0.02 1.33 0.32 1.12 2.07 -1.07 -1.45 116.25 118.59 3htj h VAL 57 Ca -0.52 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 3htj h VAL 57 Cb 1.99 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3htj h VAL 57 CO -0.02 0.54 -0.15 0.00 0.02 0.00 0.00 177.57 177.97 3htj h ALA 58 N 1.07 -0.43 -0.08 1.67 0.00 -1.39 0.56 119.26 120.66 3htj h ALA 58 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3htj h ALA 58 Cb 1.04 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3htj h ALA 58 CO 0.09 -0.74 -0.41 0.00 0.00 0.00 0.00 179.25 178.19 3htj h ALA 59 N 0.25 -0.61 -0.05 0.00 0.00 -1.49 -2.07 119.26 115.30 3htj h ALA 59 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3htj h ALA 59 Cb 0.33 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3htj h ALA 59 CO 0.07 -0.93 -0.42 1.25 0.00 0.00 0.00 179.25 179.22 3htj h LEU 60 N -0.52 0.10 -1.40 0.00 5.85 -1.13 -1.92 115.31 116.30 3htj h LEU 60 Ca 0.07 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3htj h LEU 60 Cb 0.63 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3htj h LEU 60 CO -0.36 0.52 -0.29 -0.09 -0.34 0.00 0.00 178.44 177.88 3htj h ARG 61 N 0.09 0.00 0.13 1.25 2.43 0.48 0.10 114.38 118.86 3htj h ARG 61 Ca 0.01 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 3htj h ARG 61 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3htj h ARG 61 CO 0.06 0.29 -1.37 0.37 -1.51 0.00 0.00 179.97 177.81 3htj h GLN 62 N 0.00 0.28 -0.13 0.20 4.15 -1.04 -3.27 115.11 115.30 3htj h GLN 62 Ca -0.00 -0.49 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 3htj h GLN 62 Cb 0.59 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 3htj h GLN 62 CO 0.04 1.20 0.04 0.00 -1.93 0.00 0.00 178.83 178.17 3htj h ALA 63 N 0.52 0.17 -1.01 3.38 0.00 -0.84 -2.50 119.26 118.98 3htj h ALA 63 Ca -0.18 -0.13 0.38 0.00 0.00 0.00 0.00 54.91 54.98 3htj h ALA 63 Cb 2.00 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.58 3htj h ALA 63 CO 0.19 -0.20 0.56 -0.91 0.00 0.00 0.00 179.25 178.90 3htj h ASN 64 N 0.02 0.40 0.10 0.00 -0.26 -0.87 0.22 115.58 115.18 3htj h ASN 64 Ca 0.04 0.23 0.02 0.00 -0.56 0.00 0.00 56.30 56.03 3htj h ASN 64 Cb 0.24 0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.66 3htj h ASN 64 CO -0.00 -0.31 -0.40 -0.33 -1.06 0.00 0.00 177.43 175.33 3htj h GLU 65 N 0.13 -0.60 -1.10 0.81 5.08 -1.50 -2.31 114.58 115.09 3htj h GLU 65 Ca 0.80 0.04 0.42 0.00 -1.00 0.00 0.00 59.36 59.62 3htj h GLU 65 Cb 2.03 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 31.27 3htj h GLU 65 CO -0.69 -0.40 0.66 0.41 -1.00 0.00 0.00 179.01 177.99 3htj n GLY 66 N -1.46 -0.74 0.25 -3.84 0.00 0.76 0.18 105.19 100.34 3htj n GLY 66 Ca -0.07 0.74 0.02 0.00 0.00 0.00 0.00 46.02 46.71 3htj n GLY 66 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3htj h PHE 67 N 0.00 0.30 0.52 1.61 3.57 -1.47 -2.35 116.94 119.12 3htj h PHE 67 Ca 0.81 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 62.26 3htj h PHE 67 Cb 2.36 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 41.02 3htj h PHE 67 CO -0.01 0.37 -0.25 0.00 -2.23 0.00 0.00 178.31 176.20 3htj h ALA 68 N 1.65 -0.83 -1.31 2.41 0.00 0.18 -2.67 119.26 118.68 3htj h ALA 68 Ca 0.06 -0.15 0.46 0.00 0.00 0.00 0.00 54.91 55.28 3htj h ALA 68 Cb 0.32 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 3htj h ALA 68 CO 0.02 -0.78 0.83 0.54 0.00 0.00 0.00 179.25 179.85 3htj n ARG 69 N -4.65 -0.04 0.02 0.00 1.74 -1.04 0.81 116.66 113.52 3htj n ARG 69 Ca -0.09 1.24 -0.13 0.00 -0.77 0.00 0.00 57.85 58.11 3htj n ARG 69 Cb 0.27 -2.42 -0.09 0.00 -1.02 0.00 0.00 32.46 29.20 3htj n ARG 69 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3htj h VAL 70 N 0.00 1.20 -0.30 1.55 2.07 -1.32 -1.10 116.25 118.35 3htj h VAL 70 Ca 0.86 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 3htj h VAL 70 Cb 2.72 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 34.29 3htj h VAL 70 CO -0.49 0.24 -0.16 -0.37 0.02 0.00 0.00 177.57 176.81 3htj h VAL 71 N -0.52 1.25 -0.83 2.57 -1.51 0.18 -1.73 116.25 115.65 3htj h VAL 71 Ca -0.01 -1.12 0.11 0.00 -1.23 0.00 0.00 66.70 64.45 3htj h VAL 71 Cb 0.45 1.19 -0.08 0.00 -2.13 0.00 0.00 31.29 30.72 3htj h VAL 71 CO 0.01 0.36 0.46 0.00 -1.23 0.00 0.00 177.57 177.18 3htj h ALA 72 N 1.34 1.21 0.00 5.19 0.00 0.56 -2.35 119.26 125.22 3htj h ALA 72 Ca 0.08 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3htj h ALA 72 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3htj h ALA 72 CO 0.04 0.04 -0.59 0.00 0.00 0.00 0.00 179.25 178.74 3htj h ALA 73 N 1.49 0.82 -2.65 0.00 0.00 -0.28 -3.42 119.26 115.22 3htj h ALA 73 Ca 0.42 -0.54 -0.72 0.00 0.00 0.00 0.00 54.91 54.07 3htj h ALA 73 Cb 0.45 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 17.90 3htj h ALA 73 CO -0.28 0.74 -0.44 -1.01 0.00 0.00 0.00 179.25 178.25 3htj s HIS 74 N -3.35 3.28 0.07 0.00 3.76 -0.88 -4.98 115.29 113.19 3htj s HIS 74 Ca 0.00 -1.13 -0.20 0.00 -0.15 0.00 0.00 55.06 53.59 3htj s HIS 74 Cb 0.11 -2.82 -0.11 0.00 1.11 0.00 0.00 32.58 30.87 3htj s HIS 74 CO 0.74 -0.76 1.47 -1.35 -0.85 0.00 0.00 174.74 174.00 3htj h PRO 75 N 8.52 0.38 -1.14 8.40 0.11 -1.82 -3.21 132.00 143.25 3htj h PRO 75 Ca -0.25 -0.14 0.33 0.00 0.11 0.00 0.00 66.00 66.05 3htj h PRO 75 Cb 1.10 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3htj h PRO 75 CO 0.76 0.62 1.21 0.00 -0.21 0.00 0.00 178.00 180.38 3htj n ALA 76 N -2.36 1.09 -0.24 -0.75 0.00 -1.26 0.77 120.51 117.76 3htj n ALA 76 Ca -0.05 0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.70 3htj n ALA 76 Cb 0.27 -0.65 0.04 0.00 0.00 0.00 0.00 19.45 19.10 3htj n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3htj h LEU 77 N 0.00 0.99 -3.59 0.00 3.38 -1.86 -2.61 115.31 111.61 3htj h LEU 77 Ca 0.54 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 3htj h LEU 77 Cb 2.96 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 43.42 3htj h LEU 77 CO -0.01 0.94 0.06 -1.20 0.09 0.00 0.00 178.44 178.33 3htj n SER 78 N -4.32 5.42 -4.61 -0.43 7.64 0.23 -4.94 113.62 112.63 3htj n SER 78 Ca 0.04 -3.02 -0.37 0.00 1.01 0.00 0.00 58.87 56.54 3htj n SER 78 Cb 0.23 -0.69 -0.11 0.00 -1.01 0.00 0.00 64.21 62.63 3htj n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3htj s ASP 79 N -0.93 5.97 0.28 6.43 2.15 -0.99 -4.99 116.67 124.58 3htj s ASP 79 Ca 0.54 0.02 0.19 0.00 0.43 0.00 0.00 52.55 53.74 3htj s ASP 79 Cb 0.42 -2.09 0.95 0.00 -0.30 0.00 0.00 42.92 41.90 3htj s ASP 79 CO 0.15 0.00 1.02 -2.65 -0.17 0.00 0.00 175.17 173.53 3htj n PRO 80 N 4.69 -0.03 0.00 4.34 -0.02 -1.26 -4.07 135.00 138.65 3htj n PRO 80 Ca -0.15 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3htj n PRO 80 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3htj n PRO 80 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3htj n GLU 81 N -4.12 0.00 0.00 -0.52 -0.58 -1.26 -4.95 120.64 109.21 3htj n GLU 81 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 3htj n GLU 81 Cb 0.98 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.85 3htj n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3htj n ALA 82 N -3.00 0.00 -3.00 0.62 0.00 -1.26 -4.52 120.51 109.36 3htj n ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3htj n ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3htj n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3htj n ASP 83 N -1.42 0.00 0.12 0.00 4.64 -1.26 -5.03 116.55 113.60 3htj n ASP 83 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3htj n ASP 83 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3htj n ASP 83 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3htj n LEU 84 N 0.00 -1.32 -0.02 -2.67 0.00 -1.26 -4.73 117.00 107.01 3htj n LEU 84 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 56.01 56.37 3htj n LEU 84 Cb 0.00 1.39 -0.02 0.00 0.00 0.00 0.00 43.42 44.78 3htj n LEU 84 CO 0.00 -0.37 0.73 0.28 0.00 0.00 0.00 177.39 178.04 3htj h SER 85 N 0.00 -0.58 -0.41 1.96 0.02 -1.93 0.52 113.55 113.13 3htj h SER 85 Ca 0.00 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3htj h SER 85 Cb 0.00 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3htj h SER 85 CO 0.00 -0.23 0.19 1.23 -1.14 0.00 0.00 176.83 176.87 3htj h GLY 86 N -0.22 0.63 0.76 -3.77 0.00 -1.88 -0.53 103.07 98.07 3htj h GLY 86 Ca 0.11 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.16 3htj h GLY 86 CO -0.29 0.31 0.31 -2.09 0.00 0.00 0.00 176.54 174.77 3htj h GLU 87 N 0.51 0.58 0.41 4.80 4.57 -1.70 -0.22 114.58 123.54 3htj h GLU 87 Ca 0.14 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3htj h GLU 87 Cb 0.14 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3htj h GLU 87 CO -0.02 0.38 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.93 3htj h LEU 88 N 0.60 -0.47 -0.73 1.64 3.38 0.32 -1.67 115.31 118.38 3htj h LEU 88 Ca 0.24 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.25 3htj h LEU 88 Cb 0.11 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3htj h LEU 88 CO -0.15 -0.19 0.32 0.00 0.09 0.00 0.00 178.44 178.52 3htj h ALA 89 N -0.24 1.01 0.05 1.53 0.00 -0.95 0.11 119.26 120.77 3htj h ALA 89 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3htj h ALA 89 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3htj h ALA 89 CO 0.09 -0.13 -0.04 -0.09 0.00 0.00 0.00 179.25 179.08 3htj h ARG 90 N 0.52 -0.09 -0.10 0.00 2.43 -0.97 -2.01 114.38 114.16 3htj h ARG 90 Ca 0.38 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.58 3htj h ARG 90 Cb 0.50 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3htj h ARG 90 CO -0.33 -0.06 0.08 0.28 -1.51 0.00 0.00 179.97 178.42 3htj h VAL 91 N -0.09 0.86 -0.33 0.20 2.07 -1.18 -1.88 116.25 115.90 3htj h VAL 91 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3htj h VAL 91 Cb 0.08 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3htj h VAL 91 CO -0.00 0.00 0.05 0.25 0.02 0.00 0.00 177.57 177.89 3htj h LEU 92 N 0.00 0.52 -1.70 2.57 7.12 -0.65 -1.81 115.31 121.36 3htj h LEU 92 Ca 0.05 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.80 3htj h LEU 92 Cb 0.20 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 3htj h LEU 92 CO -0.00 0.65 0.00 1.23 -0.13 0.00 0.00 178.44 180.19 3htj h GLY 93 N 0.37 0.00 0.13 3.75 0.00 -0.57 -2.68 103.07 104.06 3htj h GLY 93 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3htj h GLY 93 CO 0.01 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.34 3htj h GLU 94 N 0.00 -0.09 -0.42 4.80 5.08 -1.27 -2.58 114.58 120.10 3htj h GLU 94 Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3htj h GLU 94 Cb 0.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3htj h GLU 94 CO 0.00 0.32 0.28 2.35 -1.00 0.00 0.00 179.01 180.96 3htj h TRP 95 N -0.97 0.32 -0.01 4.33 7.01 -1.17 0.18 115.95 125.64 3htj h TRP 95 Ca -0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3htj h TRP 95 Cb 0.46 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 3htj h TRP 95 CO 0.10 0.17 -0.10 1.28 -2.79 0.00 0.00 178.44 177.11 3htj n LEU 96 N -4.48 0.94 -4.71 0.65 4.32 -1.05 -4.78 117.00 107.90 3htj n LEU 96 Ca 0.05 -0.25 -0.42 0.00 -0.02 0.00 0.00 56.01 55.37 3htj n LEU 96 Cb 0.25 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3htj n LEU 96 CO 0.35 0.17 1.27 -0.83 -1.22 0.00 0.00 177.39 177.12 3htj s GLY 97 N -2.26 1.52 0.00 -0.72 0.00 0.62 -4.81 107.32 101.67 3htj s GLY 97 Ca 0.33 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.42 3htj s GLY 97 CO 0.43 2.72 0.00 0.61 0.00 0.00 0.00 173.10 176.85 3htj n GLY 98 N 3.83 3.73 3.65 0.20 0.00 -1.26 -4.56 105.19 110.78 3htj n GLY 98 Ca 0.15 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 3htj n GLY 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3htj s ASP 99 N -4.00 6.47 -0.33 1.61 -1.08 -1.26 -4.91 116.67 113.17 3htj s ASP 99 Ca 0.00 2.04 0.09 0.00 -0.52 0.00 0.00 52.55 54.16 3htj s ASP 99 Cb 0.00 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.55 3htj s ASP 99 CO 0.00 -1.12 1.68 -2.11 0.52 0.00 0.00 175.17 174.15 3htj n ARG 100 N 7.45 2.62 0.30 4.34 1.85 -1.26 -4.62 116.66 127.33 3htj n ARG 100 Ca 0.19 -3.07 0.16 0.00 -1.00 0.00 0.00 57.85 54.13 3htj n ARG 100 Cb 0.44 -2.03 0.94 0.00 -1.05 0.00 0.00 32.46 30.76 3htj n ARG 100 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3htj h THR 101 N 1.56 0.40 0.13 8.89 2.02 -1.94 -1.32 112.91 122.65 3htj h THR 101 Ca 0.32 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 3htj h THR 101 Cb 2.17 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 3htj h THR 101 CO 0.67 0.02 -0.06 1.23 0.37 0.00 0.00 175.52 177.75 3htj h GLY 102 N 0.24 -0.18 1.33 2.16 0.00 -1.95 -3.18 103.07 101.48 3htj h GLY 102 Ca -0.00 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.44 3htj h GLY 102 CO 0.00 -0.07 0.36 -0.24 0.00 0.00 0.00 176.54 176.60 3htj h VAL 103 N -1.02 1.04 -0.29 4.60 3.04 -1.83 -1.83 116.25 119.97 3htj h VAL 103 Ca -0.02 -0.20 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 3htj h VAL 103 Cb 0.29 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 3htj h VAL 103 CO 0.03 0.11 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.08 3htj h GLU 104 N 0.59 0.59 -0.03 4.17 5.08 -1.37 0.21 114.58 123.81 3htj h GLU 104 Ca 0.22 -0.25 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 3htj h GLU 104 Cb 0.14 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.39 3htj h GLU 104 CO -0.06 0.81 -0.82 1.37 -1.00 0.00 0.00 179.01 179.31 3htj h LEU 105 N 0.51 0.78 0.37 1.33 8.10 -1.42 -0.32 115.31 124.66 3htj h LEU 105 Ca 0.07 -0.72 -0.01 0.00 0.11 0.00 0.00 57.88 57.33 3htj h LEU 105 Cb 0.75 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 3htj h LEU 105 CO 0.06 1.39 -0.28 -0.33 -4.11 0.00 0.00 178.44 175.17 3htj h GLU 106 N 0.24 -0.63 -0.94 0.17 5.08 -1.18 -1.02 114.58 116.30 3htj h GLU 106 Ca -0.09 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3htj h GLU 106 Cb 1.48 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 3htj h GLU 106 CO 0.16 -0.42 0.59 1.88 -1.00 0.00 0.00 179.01 180.22 3htj h TYR 107 N -0.65 1.23 0.19 4.33 0.05 -0.63 -0.67 116.97 120.82 3htj h TYR 107 Ca -0.03 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3htj h TYR 107 Cb 0.56 -0.41 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 3htj h TYR 107 CO -0.14 0.80 -0.44 1.49 -1.05 0.00 0.00 178.16 178.83 3htj h GLU 108 N 1.29 -0.69 0.61 4.88 4.81 -0.67 0.42 114.58 125.24 3htj h GLU 108 Ca 0.34 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 3htj h GLU 108 Cb -0.09 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3htj h GLU 108 CO -0.07 -0.46 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.20 3htj h LEU 109 N -0.72 -1.28 -0.90 1.64 3.38 -0.85 -1.01 115.31 115.57 3htj h LEU 109 Ca 0.00 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.31 3htj h LEU 109 Cb 0.71 0.40 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 3htj h LEU 109 CO -0.21 -0.68 0.25 0.22 0.09 0.00 0.00 178.44 178.12 3htj h TYR 110 N -1.06 0.38 0.00 1.13 3.20 -0.95 0.37 116.97 120.04 3htj h TYR 110 Ca -0.08 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 3htj h TYR 110 Cb 0.88 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3htj h TYR 110 CO -0.18 -0.24 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.65 3htj h LEU 111 N 0.19 0.00 0.00 2.82 3.38 -0.66 -2.95 115.31 118.09 3htj h LEU 111 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 3htj h LEU 111 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3htj h LEU 111 CO -0.68 0.38 0.04 0.00 0.09 0.00 0.00 178.44 178.27 3htj n ALA 112 N -2.26 1.02 1.46 1.53 0.00 0.13 -0.61 120.51 121.78 3htj n ALA 112 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3htj n ALA 112 Cb 0.56 -0.88 0.72 0.00 0.00 0.00 0.00 19.45 19.84 3htj n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3htj n ALA 113 N -1.28 2.39 -0.00 0.00 0.00 -1.12 -1.98 120.51 118.52 3htj n ALA 113 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 3htj n ALA 113 Cb 0.04 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 3htj n ALA 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3htj h LEU 114 N 0.00 0.05 -1.97 0.00 6.46 -1.13 -3.34 115.31 115.38 3htj h LEU 114 Ca 0.00 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3htj h LEU 114 Cb 0.09 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3htj h LEU 114 CO 0.00 0.34 0.00 0.54 -0.62 0.00 0.00 178.44 178.70 3htj n ARG 115 N -4.91 1.07 -3.82 1.25 1.74 -1.21 -4.87 116.66 105.90 3htj n ARG 115 Ca -0.07 -1.14 -0.33 0.00 -0.77 0.00 0.00 57.85 55.54 3htj n ARG 115 Cb 0.17 -1.07 -0.11 0.00 -1.02 0.00 0.00 32.46 30.43 3htj n ARG 115 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3htj s ARG 116 N -0.61 2.42 0.28 5.56 3.52 -0.84 -4.98 118.95 124.31 3htj s ARG 116 Ca 0.05 -2.77 0.00 0.00 -0.13 0.00 0.00 55.73 52.88 3htj s ARG 116 Cb 0.03 -3.57 0.66 0.00 -1.56 0.00 0.00 34.95 30.51 3htj s ARG 116 CO 0.04 -1.18 1.65 -1.35 -0.81 0.00 0.00 175.30 173.66 3htj h PRO 117 N 6.48 0.20 -0.73 5.12 0.11 -1.87 0.14 132.00 141.45 3htj h PRO 117 Ca 0.00 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.22 3htj h PRO 117 Cb 0.89 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 3htj h PRO 117 CO 0.72 0.14 0.48 0.00 -0.21 0.00 0.00 178.00 179.13 3htj h ALA 118 N 1.76 1.96 -0.06 -0.75 0.00 -1.96 -0.20 119.26 120.02 3htj h ALA 118 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3htj h ALA 118 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3htj h ALA 118 CO -0.64 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 179.75 3htj n LEU 119 N -4.49 0.41 0.12 0.00 4.77 0.47 -4.21 117.00 114.07 3htj n LEU 119 Ca 0.13 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3htj n LEU 119 Cb 0.42 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3htj n LEU 119 CO 0.33 0.09 0.48 0.03 -1.33 0.00 0.00 177.39 176.99 3htj h ARG 120 N 0.51 -0.33 -0.63 3.23 -0.00 -1.03 -2.67 114.38 113.45 3htj h ARG 120 Ca 0.00 0.02 0.13 0.00 -0.50 0.00 0.00 59.98 59.63 3htj h ARG 120 Cb 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 29.97 30.06 3htj h ARG 120 CO 0.00 0.03 0.09 -1.00 0.00 0.00 0.00 179.97 179.09 3htj h PRO 121 N -0.81 0.20 -0.64 0.04 0.13 -1.78 -1.36 132.00 127.78 3htj h PRO 121 Ca -0.03 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 3htj h PRO 121 Cb 0.51 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 3htj h PRO 121 CO 0.06 0.13 0.04 0.28 -0.23 0.00 0.00 178.00 178.28 3htj h VAL 122 N 0.21 1.27 -0.30 1.56 2.07 -1.83 -3.00 116.25 116.22 3htj h VAL 122 Ca 0.33 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3htj h VAL 122 Cb 0.53 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3htj h VAL 122 CO -0.47 0.41 0.09 0.00 0.02 0.00 0.00 177.57 177.62 3htj h ALA 123 N 1.02 0.33 0.00 1.67 0.00 -0.94 0.10 119.26 121.44 3htj h ALA 123 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3htj h ALA 123 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3htj h ALA 123 CO 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.96 3htj n ALA 124 N -2.33 1.77 -1.52 0.00 0.00 -0.61 -0.76 120.51 117.07 3htj n ALA 124 Ca -0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3htj n ALA 124 Cb 0.12 -1.12 0.17 0.00 0.00 0.00 0.00 19.45 18.61 3htj n ALA 124 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3htj n GLU 125 N -1.02 2.15 0.00 0.00 1.02 0.35 -4.86 120.64 118.28 3htj n GLU 125 Ca 0.06 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 3htj n GLU 125 Cb 0.03 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 3htj n GLU 125 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3htj n TRP 126 N -1.06 0.00 0.00 -0.32 -0.00 0.06 -3.53 117.44 112.59 3htj n TRP 126 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.89 3htj n TRP 126 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.34 3htj n TRP 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3htj n ALA 127 N -1.71 0.93 -1.48 5.87 0.00 -1.26 -4.57 120.51 118.29 3htj n ALA 127 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3htj n ALA 127 Cb 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3htj n ALA 127 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3htj n GLU 128 N -1.29 0.52 0.00 0.00 4.71 -1.23 0.68 120.64 124.03 3htj n GLU 128 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 3htj n GLU 128 Cb 0.06 -2.25 0.00 0.00 -1.01 0.00 0.00 31.44 28.25 3htj n GLU 128 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3htj n GLY 129 N 6.47 0.06 0.00 0.62 0.00 -1.26 -4.69 105.19 106.39 3htj n GLY 129 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3htj n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3htj n VAL 130 N 0.00 0.00 -0.28 1.61 0.24 0.21 -4.66 118.33 115.45 3htj n VAL 130 Ca 0.00 0.00 0.27 0.00 -2.04 0.00 0.00 64.34 62.57 3htj n VAL 130 Cb 0.00 0.00 0.62 0.00 -1.47 0.00 0.00 33.84 32.99 3htj n VAL 130 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3htj h GLY 131 N 0.00 0.60 0.51 7.63 0.00 -1.70 0.55 103.07 110.65 3htj h GLY 131 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3htj h GLY 131 CO 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 176.54 176.35 3htj h ALA 132 N 1.55 -0.38 -0.14 3.60 0.00 -1.91 -3.14 119.26 118.85 3htj h ALA 132 Ca 0.53 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.29 3htj h ALA 132 Cb 1.70 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 3htj h ALA 132 CO -0.14 -0.46 -0.14 1.25 0.00 0.00 0.00 179.25 179.75 3htj h LEU 133 N -0.87 -0.44 -0.44 0.00 6.46 -0.84 -2.66 115.31 116.52 3htj h LEU 133 Ca -0.04 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3htj h LEU 133 Cb 0.51 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 3htj h LEU 133 CO 0.06 -0.18 0.08 -0.07 -0.62 0.00 0.00 178.44 177.71 3htj h LEU 134 N -0.17 -0.00 -1.55 2.25 3.38 -0.21 0.38 115.31 119.39 3htj h LEU 134 Ca 0.10 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3htj h LEU 134 Cb 0.30 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3htj h LEU 134 CO -0.24 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.32 3htj h ALA 135 N 1.34 1.00 0.00 1.53 0.00 -1.48 1.00 119.26 122.65 3htj h ALA 135 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 3htj h ALA 135 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3htj h ALA 135 CO -0.29 0.00 -1.42 0.00 0.00 0.00 0.00 179.25 177.54 3htj h ALA 136 N 2.06 0.67 0.19 0.00 0.00 -0.54 -3.34 119.26 118.29 3htj h ALA 136 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 54.91 53.46 3htj h ALA 136 Cb 0.35 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3htj h ALA 136 CO 0.00 1.26 -1.61 0.00 0.00 0.00 0.00 179.25 178.89 3htj h ARG 137 N 0.00 0.39 0.00 0.00 2.47 0.64 -3.48 114.38 114.41 3htj h ARG 137 Ca -0.19 -0.67 0.00 0.00 -1.26 0.00 0.00 59.98 57.86 3htj h ARG 137 Cb 1.80 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 3htj h ARG 137 CO 0.07 1.32 0.00 0.25 0.56 0.00 0.00 179.97 182.18 3htj n THR 138 N -3.69 0.00 -4.02 2.04 -2.24 0.34 -5.08 114.28 101.62 3htj n THR 138 Ca -0.23 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 3htj n THR 138 Cb 1.04 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 3htj n THR 138 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3htj s ASP 139 N 0.72 4.56 -0.03 3.42 -4.77 -1.25 -4.66 116.67 114.66 3htj s ASP 139 Ca 0.00 -1.22 0.04 0.00 -3.30 0.00 0.00 52.55 48.07 3htj s ASP 139 Cb 0.00 0.16 0.16 0.00 -1.09 0.00 0.00 42.92 42.14 3htj s ASP 139 CO 0.00 -0.92 0.91 -2.65 0.70 0.00 0.00 175.17 173.21 3htj n PRO 140 N -1.57 1.62 -0.01 2.11 -0.02 -1.26 -1.86 135.00 134.00 3htj n PRO 140 Ca -0.03 -0.61 -0.00 0.00 -2.02 0.00 0.00 63.50 60.83 3htj n PRO 140 Cb 0.64 -1.43 -0.01 0.00 -0.02 0.00 0.00 33.50 32.68 3htj n PRO 140 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3htj n THR 141 N 0.05 0.09 0.09 3.45 -1.04 -1.26 -4.40 114.28 111.26 3htj n THR 141 Ca 0.06 -0.06 0.02 0.00 -2.04 0.00 0.00 64.05 62.02 3htj n THR 141 Cb 0.31 -0.60 -0.03 0.00 -1.82 0.00 0.00 70.33 68.20 3htj n THR 141 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3htj h THR 142 N 0.00 0.59 0.54 12.58 2.02 -1.92 -2.91 112.91 123.81 3htj h THR 142 Ca -0.03 -1.98 -0.03 0.00 0.77 0.00 0.00 66.41 65.14 3htj h THR 142 Cb 0.85 2.14 0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3htj h THR 142 CO 0.00 0.34 -0.26 0.00 0.37 0.00 0.00 175.52 175.97 3htj h ALA 143 N 1.51 -0.90 -0.89 6.16 0.00 -1.61 0.36 119.26 123.88 3htj h ALA 143 Ca -0.08 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.88 3htj h ALA 143 Cb 1.44 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.39 3htj h ALA 143 CO 0.05 -0.85 0.41 0.00 0.00 0.00 0.00 179.25 178.86 3htj h ARG 144 N -0.94 0.45 0.39 0.00 3.08 -1.77 -2.01 114.38 113.58 3htj h ARG 144 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3htj h ARG 144 Cb 0.55 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3htj h ARG 144 CO 0.12 0.29 -0.38 0.00 -1.07 0.00 0.00 179.97 178.93 3htj h ALA 145 N 1.68 -1.06 -0.86 0.04 0.00 -1.37 -0.48 119.26 117.20 3htj h ALA 145 Ca 0.54 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.45 3htj h ALA 145 Cb 0.98 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 3htj h ALA 145 CO -0.49 -1.08 0.45 -0.07 0.00 0.00 0.00 179.25 178.06 3htj h LEU 146 N -0.77 0.57 -1.09 0.00 3.38 -0.36 0.15 115.31 117.19 3htj h LEU 146 Ca -0.05 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3htj h LEU 146 Cb 0.66 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3htj h LEU 146 CO -0.04 0.25 -0.41 0.58 0.09 0.00 0.00 178.44 178.91 3htj h VAL 147 N 0.66 1.13 -0.06 1.22 2.07 -1.28 -0.90 116.25 119.09 3htj h VAL 147 Ca 0.46 -1.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.34 3htj h VAL 147 Cb 0.63 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3htj h VAL 147 CO -0.35 0.40 -0.62 0.00 0.02 0.00 0.00 177.57 177.02 3htj h ALA 148 N 1.59 0.84 -0.01 1.67 0.00 0.95 -1.65 119.26 122.65 3htj h ALA 148 Ca -0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 3htj h ALA 148 Cb 0.81 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3htj h ALA 148 CO 0.05 0.75 -0.71 0.28 0.00 0.00 0.00 179.25 179.62 3htj h VAL 149 N 0.16 1.39 -0.26 0.00 2.07 -0.75 -2.79 116.25 116.06 3htj h VAL 149 Ca -0.01 -2.11 0.04 0.00 0.82 0.00 0.00 66.70 65.45 3htj h VAL 149 Cb 1.13 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 3htj h VAL 149 CO 0.10 0.62 -0.01 -0.07 0.02 0.00 0.00 177.57 178.23 3htj h LEU 150 N 0.04 -0.11 0.06 2.57 -0.00 -1.08 0.45 115.31 117.24 3htj h LEU 150 Ca -0.09 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 3htj h LEU 150 Cb 1.40 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 42.14 3htj h LEU 150 CO 0.14 -0.03 -0.15 0.44 -0.00 0.00 0.00 178.44 178.84 3htj h ASP 151 N 0.07 -0.43 -0.85 -0.43 3.32 -1.37 0.31 116.42 117.04 3htj h ASP 151 Ca 0.12 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3htj h ASP 151 Cb 0.16 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3htj h ASP 151 CO -0.21 -0.22 0.48 1.23 -1.72 0.00 0.00 179.24 178.80 3htj h GLY 152 N -0.29 1.27 1.53 2.75 0.00 -1.20 0.11 103.07 107.25 3htj h GLY 152 Ca 0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3htj h GLY 152 CO -0.10 0.54 -0.22 -2.22 0.00 0.00 0.00 176.54 174.53 3htj h ILE 153 N 1.20 1.26 0.00 2.60 2.04 0.47 -2.38 117.51 122.70 3htj h ILE 153 Ca 0.30 -1.25 -0.18 0.00 1.00 0.00 0.00 64.86 64.74 3htj h ILE 153 Cb 0.01 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3htj h ILE 153 CO -0.05 0.40 -0.86 0.00 0.00 0.00 0.00 178.15 177.64 3htj h LEU 155 N 0.00 0.27 -0.80 0.00 5.85 -0.72 -2.59 115.31 117.33 3htj h LEU 155 Ca -0.02 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 3htj h LEU 155 Cb 1.64 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 3htj h LEU 155 CO 0.10 0.89 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.38 3htj h GLN 156 N 0.16 0.79 0.05 1.25 4.15 -1.44 -1.76 115.11 118.30 3htj h GLN 156 Ca -0.02 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 3htj h GLN 156 Cb 1.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3htj h GLN 156 CO 0.11 0.86 -0.02 0.28 -1.93 0.00 0.00 178.83 178.13 3htj h VAL 157 N 0.71 1.23 -0.23 2.39 2.07 -1.55 -3.09 116.25 117.78 3htj h VAL 157 Ca 0.12 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 3htj h VAL 157 Cb 0.59 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3htj h VAL 157 CO 0.04 0.37 -0.18 -0.07 0.02 0.00 0.00 177.57 177.75 3htj h LEU 158 N -0.89 0.38 0.00 2.57 3.38 -1.52 -2.42 115.31 116.80 3htj h LEU 158 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3htj h LEU 158 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3htj h LEU 158 CO 0.01 0.58 -1.37 0.18 0.09 0.00 0.00 178.44 177.93 3htj n LEU 159 N -4.19 0.48 -0.19 1.67 4.77 -0.66 -4.57 117.00 114.30 3htj n LEU 159 Ca -0.00 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.04 3htj n LEU 159 Cb 0.34 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3htj n LEU 159 CO 0.40 -0.01 0.41 0.35 -1.33 0.00 0.00 177.39 177.21 3htj n THR 160 N -2.19 0.85 -0.63 -5.08 -2.24 -1.17 -5.01 114.28 98.81 3htj n THR 160 Ca -0.00 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3htj n THR 160 Cb 0.50 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3htj n THR 160 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3htj n ASP 161 N -0.60 -0.97 -4.71 3.42 9.92 -0.91 -4.94 116.55 117.76 3htj n ASP 161 Ca 0.06 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 3htj n ASP 161 Cb 0.58 -2.42 -0.03 0.00 -0.64 0.00 0.00 41.12 38.61 3htj n ASP 161 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3htj s THR 162 N -1.26 3.38 0.81 -3.53 2.01 -1.24 -4.98 115.64 110.83 3htj s THR 162 Ca 0.00 0.92 -0.10 0.00 0.31 0.00 0.00 61.69 62.82 3htj s THR 162 Cb 0.00 -3.59 0.08 0.00 0.01 0.00 0.00 72.50 69.00 3htj s THR 162 CO 0.00 0.04 1.11 -2.16 -0.69 0.00 0.00 174.62 172.92 3htj s PRO 163 N 1.62 1.91 -0.10 4.92 0.04 -1.26 -4.23 135.00 137.89 3htj s PRO 163 Ca 0.65 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 3htj s PRO 163 Cb -0.36 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3htj s PRO 163 CO 0.29 -1.92 1.28 -0.47 0.04 0.00 0.00 177.00 176.22 3htj s TYR 164 N -2.81 2.91 -0.73 0.56 5.04 -1.26 -4.92 117.35 116.13 3htj s TYR 164 Ca 0.63 1.01 -0.09 0.00 -2.44 0.00 0.00 57.07 56.18 3htj s TYR 164 Cb -0.19 -3.52 0.19 0.00 0.35 0.00 0.00 41.96 38.79 3htj s TYR 164 CO 0.56 -1.78 0.61 0.34 -1.34 0.00 0.00 175.55 173.94 3htj s ASP 165 N 1.88 6.02 0.34 4.32 -1.08 -1.26 -4.96 116.67 121.93 3htj s ASP 165 Ca 0.57 -2.78 0.05 0.00 -0.52 0.00 0.00 52.55 49.87 3htj s ASP 165 Cb -0.24 -2.04 0.68 0.00 -1.46 0.00 0.00 42.92 39.86 3htj s ASP 165 CO 0.19 -0.47 1.92 -0.08 0.52 0.00 0.00 175.17 177.25 3htj h GLU 166 N 7.40 0.82 -0.01 4.34 4.81 -1.93 -2.01 114.58 128.00 3htj h GLU 166 Ca 0.05 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 3htj h GLU 166 Cb 1.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3htj h GLU 166 CO 0.73 0.54 -0.67 0.93 -0.73 0.00 0.00 179.01 179.81 3htj h GLU 167 N 0.84 0.05 0.09 1.92 4.39 -1.95 0.14 114.58 120.06 3htj h GLU 167 Ca 0.38 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 3htj h GLU 167 Cb 0.35 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3htj h GLU 167 CO -0.15 0.70 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.44 3htj h TYR 168 N 0.04 -0.11 -0.50 4.33 3.20 -1.85 0.22 116.97 122.29 3htj h TYR 168 Ca -0.01 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3htj h TYR 168 Cb 1.19 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3htj h TYR 168 CO 0.01 0.18 0.09 0.00 -1.64 0.00 0.00 178.16 176.80 3htj h ALA 169 N 0.47 0.67 0.00 1.82 0.00 -1.32 0.13 119.26 121.03 3htj h ALA 169 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3htj h ALA 169 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3htj h ALA 169 CO 0.02 0.39 -0.21 -0.09 0.00 0.00 0.00 179.25 179.36 3htj h ARG 170 N 0.70 0.00 0.09 0.00 2.43 -0.69 -1.54 114.38 115.38 3htj h ARG 170 Ca 0.15 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 3htj h ARG 170 Cb 0.39 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3htj h ARG 170 CO 0.01 0.21 -0.77 1.49 -1.51 0.00 0.00 179.97 179.39 3htj h GLU 171 N 0.00 0.36 0.00 0.20 4.57 -0.32 -3.32 114.58 116.08 3htj h GLU 171 Ca -0.00 -0.51 -0.19 0.00 -1.18 0.00 0.00 59.36 57.48 3htj h GLU 171 Cb 0.51 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3htj h GLU 171 CO 0.03 1.20 -0.87 -0.39 -1.18 0.00 0.00 179.01 177.80 3htj h VAL 172 N -0.23 1.58 -0.81 0.32 -1.51 -0.58 -3.25 116.25 111.78 3htj h VAL 172 Ca -0.12 -2.84 0.03 0.00 -1.23 0.00 0.00 66.70 62.54 3htj h VAL 172 Cb 1.55 2.55 -0.05 0.00 -2.13 0.00 0.00 31.29 33.21 3htj h VAL 172 CO 0.15 0.82 0.52 -0.07 -1.23 0.00 0.00 177.57 177.75 3htj h LEU 173 N 0.03 0.85 0.23 4.19 3.38 -1.42 -3.07 115.31 119.49 3htj h LEU 173 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3htj h LEU 173 Cb 1.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3htj h LEU 173 CO 0.12 0.59 -0.22 0.74 0.09 0.00 0.00 178.44 179.76 3htj h THR 174 N 1.00 0.53 -0.99 0.22 2.02 -1.65 -2.89 112.91 111.15 3htj h THR 174 Ca 0.32 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.83 3htj h THR 174 Cb 0.01 0.53 -0.18 0.00 -1.74 0.00 0.00 68.15 66.77 3htj h THR 174 CO -0.11 0.00 0.26 0.03 0.37 0.00 0.00 175.52 176.07 3htj h ARG 175 N -0.47 0.03 -0.14 6.66 3.08 -1.62 0.24 114.38 122.15 3htj h ARG 175 Ca -0.00 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3htj h ARG 175 Cb 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3htj h ARG 175 CO -0.05 0.02 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.53 3htj h LEU 176 N 0.03 0.48 -8.89 3.04 -0.00 -1.58 -3.42 115.31 104.96 3htj h LEU 176 Ca 0.70 -0.55 -0.57 0.00 -0.00 0.00 0.00 57.88 57.46 3htj h LEU 176 Cb 1.65 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 42.13 3htj h LEU 176 CO -0.84 0.94 1.12 -0.51 -0.00 0.00 0.00 178.44 179.15 3htj s ILE 177 N -4.03 3.79 1.21 1.22 2.07 0.07 -4.96 121.20 120.57 3htj s ILE 177 Ca -0.14 0.84 -0.20 0.00 -1.41 0.00 0.00 60.65 59.74 3htj s ILE 177 Cb 0.05 -3.95 0.29 0.00 0.13 0.00 0.00 42.46 38.98 3htj s ILE 177 CO 0.78 -0.53 1.13 -2.84 -1.91 0.00 0.00 174.94 171.57 3htj s PRO 178 N 4.94 -1.26 0.00 3.50 0.02 -1.26 -4.90 135.00 136.05 3htj s PRO 178 Ca 0.67 -0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.53 3htj s PRO 178 Cb -0.19 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.73 3htj s PRO 178 CO 0.31 -3.72 0.21 1.33 -0.33 0.00 0.00 177.00 174.80