#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhe h VAL 24 N 0.00 1.30 -0.37 3.44 -1.51 -2.02 -1.77 116.25 115.32 3hhe h VAL 24 Ca 0.00 -1.77 0.08 0.00 -1.23 0.00 0.00 66.70 63.78 3hhe h VAL 24 Cb 0.00 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.85 3hhe h VAL 24 CO 0.00 0.56 0.26 -0.61 -1.23 0.00 0.00 177.57 176.55 3hhe h GLN 25 N 0.54 0.12 0.02 5.19 4.15 -2.01 0.34 115.11 123.45 3hhe h GLN 25 Ca 0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hhe h GLN 25 Cb 1.13 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3hhe h GLN 25 CO 0.11 0.08 -0.01 0.37 -1.93 0.00 0.00 178.83 177.45 3hhe h GLN 26 N 0.12 -0.02 -0.97 1.69 4.15 -1.94 -2.38 115.11 115.77 3hhe h GLN 26 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.67 3hhe h GLN 26 Cb 0.53 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 3hhe h GLN 26 CO -0.02 0.54 0.63 -0.07 -1.93 0.00 0.00 178.83 177.98 3hhe h LEU 27 N -0.60 0.98 -0.42 -2.39 3.38 -0.19 -0.93 115.31 115.14 3hhe h LEU 27 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hhe h LEU 27 Cb 0.57 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hhe h LEU 27 CO 0.00 0.61 0.14 0.11 0.09 0.00 0.00 178.44 179.39 3hhe h LYS 28 N 1.10 0.64 -0.59 1.13 1.57 -0.40 -0.67 116.57 119.34 3hhe h LYS 28 Ca 0.43 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 3hhe h LYS 28 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hhe h LYS 28 CO -0.18 0.62 0.07 -0.22 -0.57 0.00 0.00 179.45 179.18 3hhe h LYS 29 N 0.53 1.00 -0.16 3.15 3.64 -0.93 0.60 116.57 124.41 3hhe h LYS 29 Ca 0.14 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3hhe h LYS 29 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3hhe h LYS 29 CO -0.01 0.96 0.09 0.52 -2.27 0.00 0.00 179.45 178.74 3hhe h MET 30 N 0.90 0.18 -0.53 1.90 2.86 -1.04 0.60 114.93 119.80 3hhe h MET 30 Ca 0.18 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3hhe h MET 30 Cb 0.46 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3hhe h MET 30 CO 0.02 0.12 0.29 0.00 1.06 0.00 0.00 176.91 178.40 3hhe h ALA 31 N 1.07 0.68 -0.76 6.32 0.00 -0.89 -2.13 119.26 123.55 3hhe h ALA 31 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hhe h ALA 31 Cb -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hhe h ALA 31 CO -0.03 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.60 3hhe h ALA 32 N 1.26 0.97 -0.45 0.00 0.00 -0.44 -1.33 119.26 119.27 3hhe h ALA 32 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hhe h ALA 32 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hhe h ALA 32 CO -0.13 0.49 0.19 -0.07 0.00 0.00 0.00 179.25 179.74 3hhe h LEU 33 N 1.05 0.62 -0.34 0.00 3.38 -0.46 -1.26 115.31 118.30 3hhe h LEU 33 Ca 0.27 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hhe h LEU 33 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hhe h LEU 33 CO -0.04 0.60 0.05 0.50 0.09 0.00 0.00 178.44 179.65 3hhe h LYS 34 N 0.59 0.56 -0.48 1.13 1.63 -1.27 -2.70 116.57 116.04 3hhe h LYS 34 Ca 0.15 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3hhe h LYS 34 Cb 0.17 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 3hhe h LYS 34 CO -0.01 0.65 0.31 0.00 -3.45 0.00 0.00 179.45 176.94 3hhe h ALA 35 N 0.89 1.65 -0.09 5.00 0.00 -1.05 -2.18 119.26 123.48 3hhe h ALA 35 Ca 0.10 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hhe h ALA 35 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hhe h ALA 35 CO 0.01 0.32 0.08 1.25 0.00 0.00 0.00 179.25 180.91 3hhe h LEU 36 N 0.65 0.00 -2.57 0.00 5.85 -0.89 -2.16 115.31 116.19 3hhe h LEU 36 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hhe h LEU 36 Cb -0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3hhe h LEU 36 CO -0.04 0.00 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.72 3hhe h GLU 37 N 0.00 0.00 -0.01 1.25 5.08 -1.37 -1.71 114.58 117.82 3hhe h GLU 37 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hhe h GLU 37 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hhe h GLU 37 CO -0.00 0.02 -0.13 1.19 -1.00 0.00 0.00 179.01 179.09 3hhe n PHE 38 N -3.39 0.00 -3.01 4.33 3.72 -0.81 -4.82 117.46 113.48 3hhe n PHE 38 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 3hhe n PHE 38 Cb 0.12 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 3hhe n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hhe s VAL 39 N -2.37 4.95 0.32 -4.37 1.01 -0.65 -5.04 120.40 114.25 3hhe s VAL 39 Ca 0.30 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.76 3hhe s VAL 39 Cb 0.20 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3hhe s VAL 39 CO 0.46 0.05 -0.10 -1.61 0.00 0.00 0.00 175.10 173.90 3hhe s GLU 40 N 2.15 1.75 0.39 2.72 2.02 -1.26 -5.08 118.70 121.39 3hhe s GLU 40 Ca 0.33 -1.89 -0.27 0.00 0.02 0.00 0.00 54.97 53.16 3hhe s GLU 40 Cb -0.16 -1.60 -0.11 0.00 0.10 0.00 0.00 34.13 32.36 3hhe s GLU 40 CO 0.11 0.14 1.30 -0.25 0.02 0.00 0.00 175.26 176.58 3hhe n ASP 41 N -0.73 2.75 -0.70 -0.19 8.00 -1.26 -2.74 116.55 121.68 3hhe n ASP 41 Ca -0.05 1.15 -0.09 0.00 0.71 0.00 0.00 54.79 56.51 3hhe n ASP 41 Cb 0.63 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 3hhe n ASP 41 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hhe n ASP 42 N 0.42 -4.49 -4.77 -2.24 9.92 0.21 -4.96 116.55 110.64 3hhe n ASP 42 Ca 0.05 0.22 -0.39 0.00 -0.53 0.00 0.00 54.79 54.15 3hhe n ASP 42 Cb 0.38 -2.79 -0.06 0.00 -0.64 0.00 0.00 41.12 38.01 3hhe n ASP 42 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3hhe s MET 43 N -2.57 4.71 -0.24 -1.24 -1.94 -1.11 -4.95 119.30 111.97 3hhe s MET 43 Ca 0.00 1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 55.24 3hhe s MET 43 Cb 0.00 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3hhe s MET 43 CO 0.00 0.42 0.27 1.03 -0.01 0.00 0.00 175.02 176.73 3hhe s ARG 44 N -1.55 4.08 -0.06 2.03 0.52 -1.26 -2.46 118.95 120.25 3hhe s ARG 44 Ca 0.44 -0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.61 3hhe s ARG 44 Cb -0.23 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 3hhe s ARG 44 CO 0.28 -0.04 -0.19 -0.51 0.02 0.00 0.00 175.30 174.86 3hhe s LEU 45 N 1.35 2.45 0.01 2.53 1.43 0.16 -0.90 118.68 125.72 3hhe s LEU 45 Ca 0.12 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 3hhe s LEU 45 Cb -0.14 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3hhe s LEU 45 CO 0.07 0.29 0.71 -0.83 0.23 0.00 0.00 176.35 176.82 3hhe s GLY 46 N -0.43 2.71 -0.26 -3.19 0.00 0.15 0.03 107.32 106.32 3hhe s GLY 46 Ca 0.05 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 3hhe s GLY 46 CO 0.02 1.02 -0.03 -0.42 0.00 0.00 0.00 173.10 173.69 3hhe s ILE 47 N 0.10 3.00 0.00 0.90 -1.09 0.11 -1.42 121.20 122.80 3hhe s ILE 47 Ca 0.36 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3hhe s ILE 47 Cb -0.19 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 3hhe s ILE 47 CO 0.20 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 3hhe n GLY 48 N 4.68 -1.93 3.18 6.18 0.00 0.73 -1.49 105.19 116.54 3hhe n GLY 48 Ca -0.15 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 3hhe n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hhe s SER 49 N -1.46 0.24 0.00 1.61 0.01 -1.26 -4.50 113.70 108.35 3hhe s SER 49 Ca 0.00 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.42 3hhe s SER 49 Cb 0.00 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 3hhe s SER 49 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 3hhe n GLY 50 N -0.03 1.70 0.28 3.44 0.00 -1.26 -4.34 105.19 104.98 3hhe n GLY 50 Ca -0.13 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.74 3hhe n GLY 50 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hhe h SER 51 N 0.00 0.58 -0.40 1.61 4.64 -2.00 -0.51 113.55 117.47 3hhe h SER 51 Ca 0.00 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3hhe h SER 51 Cb 0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3hhe h SER 51 CO 0.00 0.64 -0.06 0.74 -0.87 0.00 0.00 176.83 177.28 3hhe h THR 52 N 0.59 1.27 0.00 2.95 2.02 -1.92 -2.71 112.91 115.11 3hhe h THR 52 Ca 0.13 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 3hhe h THR 52 Cb 0.34 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3hhe h THR 52 CO 0.01 0.38 -0.33 0.58 0.37 0.00 0.00 175.52 176.53 3hhe h VAL 53 N 0.57 1.06 0.00 3.16 2.07 -1.66 -2.63 116.25 118.82 3hhe h VAL 53 Ca 0.11 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3hhe h VAL 53 Cb 0.57 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3hhe h VAL 53 CO 0.03 0.32 -0.08 0.78 0.02 0.00 0.00 177.57 178.64 3hhe h ASN 54 N 0.00 0.00 1.75 0.57 2.35 -0.79 -1.86 115.58 117.59 3hhe h ASN 54 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3hhe h ASN 54 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3hhe h ASN 54 CO 0.04 0.08 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.33 3hhe h GLU 55 N 0.00 0.00 0.14 0.81 4.39 -1.29 -3.37 114.58 115.26 3hhe h GLU 55 Ca -0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 3hhe h GLU 55 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3hhe h GLU 55 CO 0.01 0.24 -1.49 0.35 -1.16 0.00 0.00 179.01 176.96 3hhe h PHE 56 N 0.00 0.54 -0.06 4.33 3.57 -1.27 -3.36 116.94 120.69 3hhe h PHE 56 Ca -0.00 -0.39 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 3hhe h PHE 56 Cb 1.19 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 3hhe h PHE 56 CO 0.00 1.41 0.02 0.82 -2.23 0.00 0.00 178.31 178.33 3hhe h ILE 57 N 0.08 1.15 -0.80 1.41 2.04 -1.56 -1.11 117.51 118.72 3hhe h ILE 57 Ca -0.23 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3hhe h ILE 57 Cb 2.03 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 3hhe h ILE 57 CO 0.18 0.12 0.33 1.55 0.00 0.00 0.00 178.15 180.34 3hhe h PRO 58 N -0.06 1.19 -0.67 2.37 0.13 -1.75 -0.24 132.00 132.96 3hhe h PRO 58 Ca 0.02 -0.21 0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3hhe h PRO 58 Cb 0.17 -0.20 -0.07 0.00 0.13 0.00 0.00 31.00 31.04 3hhe h PRO 58 CO -0.00 0.95 0.31 -0.07 -0.23 0.00 0.00 178.00 178.96 3hhe h LEU 59 N 1.16 0.38 -0.53 1.56 3.38 -1.65 0.23 115.31 119.84 3hhe h LEU 59 Ca 0.27 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.34 3hhe h LEU 59 Cb 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3hhe h LEU 59 CO -0.02 0.22 0.30 0.25 0.09 0.00 0.00 178.44 179.28 3hhe h LEU 60 N 0.53 0.47 -1.01 1.67 5.85 -0.73 -2.45 115.31 119.64 3hhe h LEU 60 Ca 0.33 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3hhe h LEU 60 Cb 0.37 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3hhe h LEU 60 CO -0.28 0.33 0.29 1.23 -0.34 0.00 0.00 178.44 179.67 3hhe h GLY 61 N 0.59 1.07 1.26 3.75 0.00 0.83 -1.16 103.07 109.42 3hhe h GLY 61 Ca 0.22 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.03 3hhe h GLY 61 CO -0.12 0.52 0.43 0.83 0.00 0.00 0.00 176.54 178.20 3hhe h GLU 62 N 0.99 0.77 -0.14 4.80 5.08 -0.27 -0.68 114.58 125.13 3hhe h GLU 62 Ca 0.23 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 3hhe h GLU 62 Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hhe h GLU 62 CO -0.02 0.51 -0.61 0.00 -1.00 0.00 0.00 179.01 177.89 3hhe h ARG 63 N 0.80 0.47 -0.36 2.33 3.08 -0.90 -2.88 114.38 116.92 3hhe h ARG 63 Ca 0.26 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3hhe h ARG 63 Cb 0.04 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hhe h ARG 63 CO -0.07 0.94 -0.22 0.28 -1.07 0.00 0.00 179.97 179.83 3hhe h VAL 64 N 0.35 1.27 0.00 2.04 2.07 -0.54 -1.80 116.25 119.65 3hhe h VAL 64 Ca -0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3hhe h VAL 64 Cb 1.16 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3hhe h VAL 64 CO 0.11 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.13 3hhe h ALA 65 N 1.13 1.00 -0.48 1.67 0.00 -1.06 -2.59 119.26 118.93 3hhe h ALA 65 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hhe h ALA 65 Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hhe h ALA 65 CO 0.05 0.00 0.01 0.09 0.00 0.00 0.00 179.25 179.41 3hhe n ASN 66 N -2.81 5.11 0.00 0.00 3.02 -0.75 -4.97 115.26 114.86 3hhe n ASN 66 Ca 0.01 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 3hhe n ASN 66 Cb 0.27 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3hhe n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hhe n GLY 67 N 0.21 2.45 3.70 7.41 0.00 -0.98 -5.05 105.19 112.94 3hhe n GLY 67 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 3hhe n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hhe n LEU 68 N 0.00 3.72 -4.46 0.99 7.94 -0.76 -4.97 117.00 119.46 3hhe n LEU 68 Ca 0.00 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.59 3hhe n LEU 68 Cb 0.00 -1.53 -0.12 0.00 0.53 0.00 0.00 43.42 42.31 3hhe n LEU 68 CO 0.00 0.03 -0.21 -0.13 -1.11 0.00 0.00 177.39 175.97 3hhe s ARG 69 N 1.00 3.45 0.05 1.96 0.52 -1.26 -4.45 118.95 120.21 3hhe s ARG 69 Ca 0.76 -0.64 -0.08 0.00 -0.52 0.00 0.00 55.73 55.25 3hhe s ARG 69 Cb -0.56 -3.56 -0.00 0.00 0.52 0.00 0.00 34.95 31.34 3hhe s ARG 69 CO 0.35 -0.36 0.15 0.14 0.02 0.00 0.00 175.30 175.59 3hhe s VAL 70 N 1.64 0.13 -0.06 3.52 -7.23 -1.26 0.68 120.40 117.82 3hhe s VAL 70 Ca 0.05 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3hhe s VAL 70 Cb -0.17 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.76 3hhe s VAL 70 CO 0.07 -0.58 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.24 3hhe s THR 71 N -2.89 1.26 0.04 5.32 2.01 -1.03 -4.41 115.64 115.94 3hhe s THR 71 Ca -0.03 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3hhe s THR 71 Cb 0.00 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3hhe s THR 71 CO -0.06 0.38 -0.24 0.00 -0.69 0.00 0.00 174.62 174.01 3hhe s VAL 73 N -0.78 3.80 0.43 0.00 1.01 0.10 -0.43 120.40 124.53 3hhe s VAL 73 Ca 0.10 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 3hhe s VAL 73 Cb -0.09 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 3hhe s VAL 73 CO 0.02 0.34 0.89 0.00 0.00 0.00 0.00 175.10 176.34 3hhe s ALA 74 N 1.53 3.15 -1.65 5.51 0.00 -1.26 0.06 121.76 129.10 3hhe s ALA 74 Ca 0.05 0.17 0.14 0.00 0.00 0.00 0.00 51.96 52.32 3hhe s ALA 74 Cb -0.15 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.14 3hhe s ALA 74 CO 0.00 0.04 1.02 0.25 0.00 0.00 0.00 175.76 177.07 3hhe n THR 75 N -0.97 0.19 -3.71 0.00 -2.24 -0.56 -4.88 114.28 102.11 3hhe n THR 75 Ca 0.05 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 3hhe n THR 75 Cb 0.54 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.89 3hhe n THR 75 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hhe s SER 76 N -1.14 -0.36 0.14 3.42 1.04 -1.26 -4.39 113.70 111.15 3hhe s SER 76 Ca 0.19 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 3hhe s SER 76 Cb 0.12 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 3hhe s SER 76 CO 0.18 -1.21 1.55 1.56 0.98 0.00 0.00 173.24 176.30 3hhe h GLN 77 N 2.02 0.84 -0.38 4.02 4.20 -1.99 -0.91 115.11 122.91 3hhe h GLN 77 Ca -0.24 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.06 3hhe h GLN 77 Cb 1.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3hhe h GLN 77 CO 0.29 0.95 -0.10 -0.92 -0.67 0.00 0.00 178.83 178.38 3hhe h TYR 78 N 0.67 0.84 -0.97 2.96 3.20 -1.99 0.73 116.97 122.42 3hhe h TYR 78 Ca 0.11 -0.18 0.07 0.00 3.14 0.00 0.00 58.73 61.87 3hhe h TYR 78 Cb 0.64 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 3hhe h TYR 78 CO 0.05 0.89 0.63 0.77 -1.64 0.00 0.00 178.16 178.86 3hhe h SER 79 N 0.55 0.98 -0.38 -2.11 0.02 -1.86 -1.55 113.55 109.21 3hhe h SER 79 Ca 0.10 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 3hhe h SER 79 Cb 0.62 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3hhe h SER 79 CO 0.04 0.61 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.97 3hhe h GLU 80 N 1.11 0.87 0.03 3.45 4.81 -0.66 -2.00 114.58 122.18 3hhe h GLU 80 Ca 0.43 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3hhe h GLU 80 Cb 0.22 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3hhe h GLU 80 CO -0.18 1.07 -0.19 0.37 -0.73 0.00 0.00 179.01 179.35 3hhe h GLN 81 N 0.67 -0.31 -0.76 1.92 4.15 -0.66 -1.77 115.11 118.35 3hhe h GLN 81 Ca 0.07 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.57 3hhe h GLN 81 Cb 0.87 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.58 3hhe h GLN 81 CO 0.08 -0.21 0.50 -0.07 -1.93 0.00 0.00 178.83 177.20 3hhe h LEU 82 N -0.33 0.72 -0.11 -2.39 3.38 -1.22 -0.28 115.31 115.08 3hhe h LEU 82 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hhe h LEU 82 Cb 0.38 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hhe h LEU 82 CO -0.16 0.47 0.04 0.00 0.09 0.00 0.00 178.44 178.88 3hhe h HIS 84 N 0.02 0.06 -0.89 0.00 3.86 -0.79 0.52 115.15 117.93 3hhe h HIS 84 Ca 0.04 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.40 3hhe h HIS 84 Cb 0.17 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 3hhe h HIS 84 CO -0.02 0.04 0.57 -0.22 0.86 0.00 0.00 177.93 179.16 3hhe h LYS 85 N 0.07 0.65 -0.38 2.45 3.64 -0.97 -2.49 116.57 119.53 3hhe h LYS 85 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hhe h LYS 85 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3hhe h LYS 85 CO -0.02 0.43 0.00 1.19 -2.27 0.00 0.00 179.45 178.78 3hhe n PHE 86 N -4.56 1.36 -1.67 1.91 3.01 -0.68 -4.97 117.46 111.86 3hhe n PHE 86 Ca 0.18 -0.82 -0.11 0.00 1.01 0.00 0.00 57.45 57.70 3hhe n PHE 86 Cb 0.49 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 3hhe n PHE 86 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hhe n GLY 87 N -0.08 0.74 3.61 1.37 0.00 -0.65 -4.29 105.19 105.88 3hhe n GLY 87 Ca 0.24 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3hhe n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhe s VAL 88 N -2.48 4.69 0.35 1.61 1.01 0.09 -4.87 120.40 120.80 3hhe s VAL 88 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 3hhe s VAL 88 Cb 0.00 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 3hhe s VAL 88 CO 0.00 -0.40 1.49 -2.84 0.00 0.00 0.00 175.10 173.35 3hhe s PRO 89 N 3.21 4.14 -0.07 2.72 0.02 -1.26 -4.37 135.00 139.38 3hhe s PRO 89 Ca 0.35 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.95 3hhe s PRO 89 Cb -0.13 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 3hhe s PRO 89 CO 0.16 -0.52 -0.21 0.42 -0.33 0.00 0.00 177.00 176.52 3hhe s ILE 90 N -0.86 1.77 0.00 2.83 -1.09 -1.26 -1.08 121.20 121.51 3hhe s ILE 90 Ca 0.55 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 3hhe s ILE 90 Cb -0.46 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 3hhe s ILE 90 CO 0.59 0.50 0.00 -0.24 -1.23 0.00 0.00 174.94 174.55 3hhe n SER 91 N 3.34 0.62 -4.24 3.58 2.88 0.42 -4.85 113.62 115.38 3hhe n SER 91 Ca -0.19 -0.09 -0.13 0.00 -1.33 0.00 0.00 58.87 57.12 3hhe n SER 91 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3hhe n SER 91 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hhe s THR 92 N -0.50 0.64 -0.19 2.46 -4.23 -1.26 -4.56 115.64 108.00 3hhe s THR 92 Ca 0.00 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 58.82 3hhe s THR 92 Cb 0.00 -2.15 0.32 0.00 1.34 0.00 0.00 72.50 72.02 3hhe s THR 92 CO 0.00 -0.45 1.85 -0.07 -0.54 0.00 0.00 174.62 175.41 3hhe h LEU 93 N 2.68 0.00 -0.08 4.79 3.38 -1.96 0.11 115.31 124.23 3hhe h LEU 93 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3hhe h LEU 93 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hhe h LEU 93 CO 0.62 0.00 0.02 -0.08 0.09 0.00 0.00 178.44 179.10 3hhe h GLU 94 N 0.00 0.12 -0.06 1.13 4.57 -1.97 -2.63 114.58 115.75 3hhe h GLU 94 Ca 0.00 -0.03 -0.25 0.00 -1.18 0.00 0.00 59.36 57.90 3hhe h GLU 94 Cb 0.46 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.05 3hhe h GLU 94 CO 0.00 0.29 -0.94 0.87 -1.18 0.00 0.00 179.01 178.05 3hhe h LYS 95 N -0.07 0.74 -3.04 1.92 1.57 -1.85 -3.39 116.57 112.44 3hhe h LYS 95 Ca 0.02 -0.72 -0.62 0.00 -1.87 0.00 0.00 60.65 57.47 3hhe h LYS 95 Cb 0.22 0.18 -0.41 0.00 0.08 0.00 0.00 32.23 32.31 3hhe h LYS 95 CO -0.00 1.30 -0.65 0.96 -0.57 0.00 0.00 179.45 180.49 3hhe s ILE 96 N -3.49 2.34 0.41 1.86 -4.36 0.34 -4.97 121.20 113.33 3hhe s ILE 96 Ca -0.10 -3.69 0.17 0.00 -0.26 0.00 0.00 60.65 56.78 3hhe s ILE 96 Cb 0.08 -2.57 0.18 0.00 1.25 0.00 0.00 42.46 41.39 3hhe s ILE 96 CO 0.92 -0.98 1.95 1.55 0.24 0.00 0.00 174.94 178.62 3hhe h PRO 97 N 5.80 0.00 -5.02 0.37 0.13 -1.67 -3.40 132.00 128.21 3hhe h PRO 97 Ca 0.10 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.56 3hhe h PRO 97 Cb 0.82 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.63 3hhe h PRO 97 CO 0.64 0.23 -0.80 -1.21 -0.23 0.00 0.00 178.00 176.63 3hhe s GLU 98 N -4.36 3.09 0.12 0.86 2.02 -1.26 -4.80 118.70 114.37 3hhe s GLU 98 Ca -0.03 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3hhe s GLU 98 Cb 0.15 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 3hhe s GLU 98 CO 0.68 -0.23 0.25 -0.51 0.02 0.00 0.00 175.26 175.47 3hhe s LEU 99 N 1.35 4.32 0.05 1.80 1.43 0.05 -4.97 118.68 122.71 3hhe s LEU 99 Ca 0.05 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 3hhe s LEU 99 Cb -0.14 -2.90 -0.24 0.00 0.03 0.00 0.00 46.19 42.94 3hhe s LEU 99 CO -0.09 0.10 1.14 0.44 0.23 0.00 0.00 176.35 178.17 3hhe h ASP 100 N 2.51 0.77 -3.31 2.29 3.32 -1.33 -0.22 116.42 120.46 3hhe h ASP 100 Ca -0.47 -0.76 -0.10 0.00 0.02 0.00 0.00 57.03 55.73 3hhe h ASP 100 Cb 1.18 -0.24 -0.25 0.00 0.22 0.00 0.00 39.33 40.24 3hhe h ASP 100 CO 0.71 1.43 -0.23 -0.22 -1.72 0.00 0.00 179.24 179.21 3hhe s LEU 101 N -8.16 -0.16 -0.13 1.55 2.96 -1.13 -2.85 118.68 110.77 3hhe s LEU 101 Ca -0.11 0.99 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 3hhe s LEU 101 Cb 0.05 1.54 -0.03 0.00 0.50 0.00 0.00 46.19 48.25 3hhe s LEU 101 CO 0.89 -0.19 0.01 -0.62 -1.32 0.00 0.00 176.35 175.11 3hhe s ASP 102 N 1.23 5.27 -0.21 3.68 2.15 0.12 -0.68 116.67 128.23 3hhe s ASP 102 Ca -0.08 0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.00 3hhe s ASP 102 Cb -0.07 -1.68 0.04 0.00 -0.30 0.00 0.00 42.92 40.91 3hhe s ASP 102 CO -0.11 0.28 -0.14 -0.63 -0.17 0.00 0.00 175.17 174.40 3hhe s ILE 103 N -0.31 1.98 0.19 4.11 -1.09 -0.51 0.01 121.20 125.59 3hhe s ILE 103 Ca 0.07 -1.18 -0.09 0.00 -2.23 0.00 0.00 60.65 57.22 3hhe s ILE 103 Cb -0.12 -1.95 -0.01 0.00 -1.58 0.00 0.00 42.46 38.79 3hhe s ILE 103 CO 0.02 0.26 0.31 -0.62 -1.23 0.00 0.00 174.94 173.68 3hhe s ASP 104 N 1.26 0.02 0.29 3.58 -1.08 -0.82 -0.19 116.67 119.74 3hhe s ASP 104 Ca -0.01 -0.97 0.03 0.00 -0.52 0.00 0.00 52.55 51.07 3hhe s ASP 104 Cb -0.16 0.47 0.04 0.00 -1.46 0.00 0.00 42.92 41.81 3hhe s ASP 104 CO -0.09 -0.95 0.33 0.61 0.52 0.00 0.00 175.17 175.59 3hhe n GLY 105 N -0.27 1.68 3.33 2.66 0.00 -1.26 -0.19 105.19 111.14 3hhe n GLY 105 Ca -0.04 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 3hhe n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhe s ALA 106 N -2.41 -1.11 0.10 4.61 0.00 -1.26 -4.84 121.76 116.84 3hhe s ALA 106 Ca 0.25 0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3hhe s ALA 106 Cb -0.02 0.06 -0.23 0.00 0.00 0.00 0.00 23.12 22.93 3hhe s ALA 106 CO 0.16 -0.30 1.20 -0.44 0.00 0.00 0.00 175.76 176.37 3hhe h ASP 107 N 3.55 0.12 -4.53 0.00 3.32 -1.16 -3.46 116.42 114.25 3hhe h ASP 107 Ca -0.29 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.48 3hhe h ASP 107 Cb 1.17 -0.04 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 3hhe h ASP 107 CO 0.40 1.10 -0.42 -1.61 -1.72 0.00 0.00 179.24 176.99 3hhe s GLU 108 N -2.69 0.45 -0.23 3.56 2.02 -0.91 -4.79 118.70 116.11 3hhe s GLU 108 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.92 3hhe s GLU 108 Cb 0.09 0.20 0.06 0.00 0.10 0.00 0.00 34.13 34.58 3hhe s GLU 108 CO 0.84 -0.10 -0.03 0.42 0.02 0.00 0.00 175.26 176.41 3hhe s ILE 109 N -0.78 1.33 0.00 -1.63 1.01 0.65 -1.55 121.20 120.23 3hhe s ILE 109 Ca -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.43 3hhe s ILE 109 Cb -0.05 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3hhe s ILE 109 CO 0.02 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.41 3hhe n GLY 110 N 4.74 6.54 3.52 6.18 0.00 0.30 -1.40 105.19 125.07 3hhe n GLY 110 Ca -0.11 -2.03 -0.47 0.00 0.00 0.00 0.00 46.02 43.42 3hhe n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hhe n PRO 111 N 0.00 0.82 -1.38 1.61 -0.02 -1.26 -0.37 135.00 134.39 3hhe n PRO 111 Ca 0.00 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 3hhe n PRO 111 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 3hhe n PRO 111 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3hhe n GLU 112 N 0.95 -1.29 -3.30 -0.52 -0.00 -1.26 -1.41 120.64 113.81 3hhe n GLU 112 Ca 0.13 0.71 -0.21 0.00 -0.00 0.00 0.00 57.16 57.79 3hhe n GLU 112 Cb 0.28 -4.94 0.06 0.00 -0.00 0.00 0.00 31.44 26.83 3hhe n GLU 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 3hhe n MET 113 N -1.83 -6.28 -2.35 3.44 1.56 0.50 -4.75 117.12 107.42 3hhe n MET 113 Ca -0.12 0.78 -0.39 0.00 -0.27 0.00 0.00 57.70 57.69 3hhe n MET 113 Cb 0.40 -5.55 -0.03 0.00 2.15 0.00 0.00 33.22 30.20 3hhe n MET 113 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3hhe s THR 114 N -3.23 3.24 0.23 1.12 2.01 -0.50 -4.52 115.64 113.99 3hhe s THR 114 Ca 0.44 1.15 0.11 0.00 0.31 0.00 0.00 61.69 63.70 3hhe s THR 114 Cb -0.20 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3hhe s THR 114 CO 0.55 0.20 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.74 3hhe s LEU 115 N -1.99 2.66 -0.11 4.42 1.43 -0.63 -0.54 118.68 123.91 3hhe s LEU 115 Ca 0.51 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3hhe s LEU 115 Cb -0.32 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3hhe s LEU 115 CO 0.41 0.07 -0.08 -0.63 0.23 0.00 0.00 176.35 176.35 3hhe s ILE 116 N -2.08 3.53 0.13 -0.59 1.01 -0.59 -1.98 121.20 120.63 3hhe s ILE 116 Ca 0.26 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3hhe s ILE 116 Cb -0.07 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 3hhe s ILE 116 CO 0.14 0.54 0.08 -0.54 0.00 0.00 0.00 174.94 175.16 3hhe s LYS 117 N -0.08 0.94 0.00 2.79 1.02 -0.12 -0.49 119.74 123.79 3hhe s LYS 117 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.60 3hhe s LYS 117 Cb -0.13 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 3hhe s LYS 117 CO 0.03 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 3hhe n GLY 118 N -0.10 1.05 0.35 -3.33 0.00 -1.26 -4.18 105.19 97.72 3hhe n GLY 118 Ca -0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.13 3hhe n GLY 118 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hhe h GLY 119 N 0.00 0.00 -0.53 -0.02 0.00 -1.92 0.49 103.07 101.09 3hhe h GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hhe h GLY 119 CO 0.00 0.00 -0.05 0.61 0.00 0.00 0.00 176.54 177.10 3hhe n GLY 120 N -1.61 0.02 1.59 4.60 0.00 -1.26 -4.96 105.19 103.56 3hhe n GLY 120 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3hhe n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhe n GLY 121 N 1.23 0.70 1.50 -0.02 0.00 0.16 -4.97 105.19 103.79 3hhe n GLY 121 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3hhe n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhe n ALA 122 N 0.11 2.92 -0.00 4.61 0.00 -1.26 -4.73 120.51 122.15 3hhe n ALA 122 Ca 0.00 -1.45 0.08 0.00 0.00 0.00 0.00 53.44 52.07 3hhe n ALA 122 Cb 0.00 -1.01 0.49 0.00 0.00 0.00 0.00 19.45 18.93 3hhe n ALA 122 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3hhe h LEU 123 N 4.00 0.35 0.66 0.00 -0.00 -1.90 -1.98 115.31 116.45 3hhe h LEU 123 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 3hhe h LEU 123 Cb 1.30 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.89 3hhe h LEU 123 CO 0.17 0.24 -0.32 0.25 -0.00 0.00 0.00 178.44 178.78 3hhe h LEU 124 N 0.40 -0.75 -0.94 0.17 5.85 -1.94 0.19 115.31 118.30 3hhe h LEU 124 Ca 0.19 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3hhe h LEU 124 Cb 0.23 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 3hhe h LEU 124 CO -0.04 -0.40 0.61 0.45 -0.34 0.00 0.00 178.44 178.71 3hhe h HIS 125 N -1.12 1.14 -0.91 1.25 3.86 -1.79 -1.24 115.15 116.35 3hhe h HIS 125 Ca -0.09 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.21 3hhe h HIS 125 Cb 0.72 -0.38 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 3hhe h HIS 125 CO 0.00 0.66 0.59 0.93 0.86 0.00 0.00 177.93 180.97 3hhe h GLU 126 N 1.18 1.02 0.17 2.45 5.08 -1.23 0.11 114.58 123.35 3hhe h GLU 126 Ca 0.38 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.39 3hhe h GLU 126 Cb 0.01 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 29.06 3hhe h GLU 126 CO -0.12 0.67 -1.22 -0.22 -1.00 0.00 0.00 179.01 177.12 3hhe h LYS 127 N 1.05 0.53 -0.13 2.33 3.64 0.23 -1.12 116.57 123.11 3hhe h LYS 127 Ca 0.38 -0.80 0.01 0.00 -1.27 0.00 0.00 60.65 58.98 3hhe h LYS 127 Cb 0.16 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3hhe h LYS 127 CO -0.14 1.37 0.03 0.82 -2.27 0.00 0.00 179.45 179.26 3hhe h ILE 128 N 0.10 0.95 -0.86 2.00 2.04 -1.17 -1.72 117.51 118.85 3hhe h ILE 128 Ca -0.20 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3hhe h ILE 128 Cb 1.93 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 3hhe h ILE 128 CO 0.23 0.02 0.46 0.58 0.00 0.00 0.00 178.15 179.44 3hhe h VAL 129 N 0.10 1.25 -0.87 1.67 2.07 -0.94 -1.93 116.25 117.60 3hhe h VAL 129 Ca 0.06 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3hhe h VAL 129 Cb 0.04 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 3hhe h VAL 129 CO -0.07 0.29 0.48 0.00 0.02 0.00 0.00 177.57 178.29 3hhe h ALA 130 N 1.25 1.11 0.00 1.67 0.00 -0.97 -2.40 119.26 119.92 3hhe h ALA 130 Ca 0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hhe h ALA 130 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3hhe h ALA 130 CO -0.05 0.62 -0.19 0.77 0.00 0.00 0.00 179.25 180.40 3hhe h SER 131 N 1.21 0.00 -0.05 0.00 0.02 -1.00 -2.72 113.55 111.01 3hhe h SER 131 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3hhe h SER 131 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hhe h SER 131 CO -0.05 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 3hhe n ALA 132 N -2.24 2.58 -2.63 3.77 0.00 -0.75 -4.91 120.51 116.32 3hhe n ALA 132 Ca -0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 3hhe n ALA 132 Cb 0.37 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3hhe n ALA 132 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hhe s SER 133 N -1.88 4.86 0.43 0.00 0.01 -1.03 -0.77 113.70 115.32 3hhe s SER 133 Ca 0.37 -0.06 0.17 0.00 1.31 0.00 0.00 55.95 57.74 3hhe s SER 133 Cb 0.20 -1.22 0.96 0.00 0.21 0.00 0.00 66.02 66.18 3hhe s SER 133 CO 0.32 0.30 1.92 0.03 0.41 0.00 0.00 173.24 176.22 3hhe h ARG 134 N 4.57 0.00 -2.95 12.44 3.08 -1.07 -3.44 114.38 127.01 3hhe h ARG 134 Ca -0.49 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.43 3hhe h ARG 134 Cb 1.17 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.99 3hhe h ARG 134 CO 0.55 0.26 -0.30 0.00 -1.07 0.00 0.00 179.97 179.41 3hhe s ALA 135 N -4.29 -0.83 -0.18 0.04 0.00 -1.13 -5.01 121.76 110.35 3hhe s ALA 135 Ca -0.03 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3hhe s ALA 135 Cb 0.14 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3hhe s ALA 135 CO 0.68 -0.20 -0.20 1.41 0.00 0.00 0.00 175.76 177.46 3hhe s MET 136 N -0.38 2.97 -0.18 0.00 1.75 -1.26 0.10 119.30 122.30 3hhe s MET 136 Ca -0.05 -0.84 -0.07 0.00 -1.25 0.00 0.00 55.69 53.47 3hhe s MET 136 Cb -0.03 -2.58 -0.04 0.00 2.84 0.00 0.00 34.83 35.01 3hhe s MET 136 CO 0.02 -0.22 0.06 -0.06 -0.65 0.00 0.00 175.02 174.17 3hhe s PHE 137 N 1.29 3.24 -0.17 4.11 0.40 0.10 -0.15 117.98 126.80 3hhe s PHE 137 Ca 0.05 0.05 -0.13 0.00 -0.60 0.00 0.00 56.93 56.29 3hhe s PHE 137 Cb -0.13 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 3hhe s PHE 137 CO -0.13 0.13 0.28 0.08 0.70 0.00 0.00 175.22 176.28 3hhe s VAL 138 N 0.42 5.32 -0.17 -0.44 1.01 0.94 -1.94 120.40 125.53 3hhe s VAL 138 Ca 0.03 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 3hhe s VAL 138 Cb -0.12 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3hhe s VAL 138 CO 0.00 0.39 0.06 0.27 0.00 0.00 0.00 175.10 175.83 3hhe s ILE 139 N 0.49 4.81 -0.02 2.22 -4.36 0.74 0.36 121.20 125.44 3hhe s ILE 139 Ca 0.16 -0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 60.22 3hhe s ILE 139 Cb -0.13 -3.15 0.07 0.00 1.25 0.00 0.00 42.46 40.50 3hhe s ILE 139 CO 0.03 0.48 0.66 0.00 0.24 0.00 0.00 174.94 176.35 3hhe s ALA 140 N 0.23 -1.71 0.57 2.27 0.00 -0.75 -4.28 121.76 118.09 3hhe s ALA 140 Ca 0.04 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 3hhe s ALA 140 Cb -0.12 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3hhe s ALA 140 CO 0.00 -0.43 0.96 0.16 0.00 0.00 0.00 175.76 176.45 3hhe s ASP 141 N -1.43 6.26 0.65 0.00 1.47 -1.26 -1.21 116.67 121.16 3hhe s ASP 141 Ca -0.09 1.29 0.41 0.00 1.18 0.00 0.00 52.55 55.34 3hhe s ASP 141 Cb -0.00 -2.41 2.30 0.00 -0.34 0.00 0.00 42.92 42.47 3hhe s ASP 141 CO 0.06 -0.77 2.35 1.05 0.68 0.00 0.00 175.17 178.54 3hhe h GLU 142 N -0.08 0.00 0.00 2.11 4.11 -1.67 -2.58 114.58 116.47 3hhe h GLU 142 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3hhe h GLU 142 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hhe h GLU 142 CO 0.62 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.95 3hhe n THR 143 N -3.25 0.96 0.52 -1.06 -2.24 -1.26 -2.09 114.28 105.86 3hhe n THR 143 Ca -0.03 0.28 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 3hhe n THR 143 Cb 0.08 -1.14 0.33 0.00 -2.10 0.00 0.00 70.33 67.50 3hhe n THR 143 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hhe h LYS 144 N 0.00 0.00 -6.09 -0.78 1.79 -1.76 -3.44 116.57 106.28 3hhe h LYS 144 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3hhe h LYS 144 Cb 0.28 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.88 3hhe h LYS 144 CO 0.00 0.00 0.67 -1.64 -1.08 0.00 0.00 179.45 177.40 3hhe s MET 145 N -3.13 4.30 0.07 3.15 -1.94 -0.89 -0.25 119.30 120.61 3hhe s MET 145 Ca 0.09 1.30 0.07 0.00 -1.71 0.00 0.00 55.69 55.44 3hhe s MET 145 Cb 0.11 -3.61 -0.03 0.00 2.01 0.00 0.00 34.83 33.31 3hhe s MET 145 CO 0.62 -0.51 -0.18 0.14 -0.01 0.00 0.00 175.02 175.09 3hhe s VAL 146 N 2.75 1.44 0.14 -6.03 -7.23 -0.49 -4.94 120.40 106.04 3hhe s VAL 146 Ca 0.44 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 59.19 3hhe s VAL 146 Cb -0.16 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3hhe s VAL 146 CO 0.10 -0.03 1.48 0.07 -0.31 0.00 0.00 175.10 176.41 3hhe h LYS 147 N 4.47 0.90 -4.29 4.82 -0.00 -1.96 -3.39 116.57 117.12 3hhe h LYS 147 Ca -0.43 -0.45 -0.35 0.00 -0.00 0.00 0.00 60.65 59.43 3hhe h LYS 147 Cb 1.18 0.00 -0.30 0.00 -0.00 0.00 0.00 32.23 33.11 3hhe h LYS 147 CO 0.41 1.10 -0.76 0.95 -0.00 0.00 0.00 179.45 181.15 3hhe s THR 148 N -4.47 0.46 0.63 0.07 -4.23 -1.26 -4.42 115.64 102.42 3hhe s THR 148 Ca -0.11 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.01 3hhe s THR 148 Cb 0.11 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 3hhe s THR 148 CO 0.87 0.15 1.18 -0.76 -0.54 0.00 0.00 174.62 175.52 3hhe s LEU 149 N 0.10 3.55 0.00 4.79 1.43 -1.26 -4.62 118.68 122.68 3hhe s LEU 149 Ca -0.01 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3hhe s LEU 149 Cb -0.05 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.58 3hhe s LEU 149 CO -0.00 -1.69 0.00 0.61 0.23 0.00 0.00 176.35 175.50 3hhe n GLY 150 N 0.25 1.57 0.38 -3.19 0.00 -1.26 0.14 105.19 103.09 3hhe n GLY 150 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.31 3hhe n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhe h ALA 151 N 0.00 2.18 -2.57 4.61 0.00 -1.44 -2.28 119.26 119.76 3hhe h ALA 151 Ca 0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 3hhe h ALA 151 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 3hhe h ALA 151 CO 0.00 -0.39 0.16 0.12 0.00 0.00 0.00 179.25 179.14 3hhe s PHE 152 N -5.36 3.42 0.15 0.00 5.36 -1.26 -4.76 117.98 115.53 3hhe s PHE 152 Ca -0.08 1.04 -0.34 0.00 -0.96 0.00 0.00 56.93 56.59 3hhe s PHE 152 Cb 0.21 -2.83 -0.15 0.00 -0.34 0.00 0.00 43.02 39.91 3hhe s PHE 152 CO 0.76 -0.13 1.43 0.00 -1.46 0.00 0.00 175.22 175.82 3hhe n ALA 153 N 4.82 0.30 -2.51 11.12 0.00 -1.26 -4.87 120.51 128.11 3hhe n ALA 153 Ca -0.00 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 3hhe n ALA 153 Cb 0.50 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 3hhe n ALA 153 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hhe s LEU 154 N 0.62 4.31 0.23 0.00 2.96 -0.21 -4.71 118.68 121.88 3hhe s LEU 154 Ca 0.78 1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 56.31 3hhe s LEU 154 Cb -0.79 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.26 3hhe s LEU 154 CO 0.44 -0.50 0.72 -2.84 -1.32 0.00 0.00 176.35 172.85 3hhe s PRO 155 N 1.79 4.20 -0.16 0.98 0.02 -1.26 -0.51 135.00 140.05 3hhe s PRO 155 Ca 0.55 0.82 -0.04 0.00 0.02 0.00 0.00 61.00 62.35 3hhe s PRO 155 Cb -0.24 -2.81 0.06 0.00 0.02 0.00 0.00 34.50 31.52 3hhe s PRO 155 CO 0.24 0.36 0.07 0.42 -0.33 0.00 0.00 177.00 177.76 3hhe s ILE 156 N -1.59 0.06 -0.05 2.83 1.01 0.29 -0.26 121.20 123.49 3hhe s ILE 156 Ca 0.44 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3hhe s ILE 156 Cb -0.16 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3hhe s ILE 156 CO 0.20 -0.19 1.02 -0.70 0.00 0.00 0.00 174.94 175.27 3hhe s GLU 157 N 2.07 4.47 0.09 2.79 2.12 0.55 -0.55 118.70 130.24 3hhe s GLU 157 Ca 0.02 1.44 0.04 0.00 0.36 0.00 0.00 54.97 56.83 3hhe s GLU 157 Cb -0.16 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3hhe s GLU 157 CO -0.08 -0.22 -0.12 0.14 -0.54 0.00 0.00 175.26 174.44 3hhe s VAL 158 N 1.60 1.02 0.24 3.70 -7.23 0.90 -0.97 120.40 119.66 3hhe s VAL 158 Ca 0.51 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 3hhe s VAL 158 Cb -0.20 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.39 3hhe s VAL 158 CO 0.23 -0.44 1.10 0.20 -0.31 0.00 0.00 175.10 175.88 3hhe s ASN 159 N -2.20 7.28 0.19 4.85 0.01 -0.16 -1.22 114.94 123.69 3hhe s ASN 159 Ca 0.03 2.19 -0.12 0.00 -0.71 0.00 0.00 52.86 54.25 3hhe s ASN 159 Cb -0.06 -2.62 0.16 0.00 0.41 0.00 0.00 41.25 39.15 3hhe s ASN 159 CO 0.01 -0.16 1.79 -0.65 -1.51 0.00 0.00 177.10 176.58 3hhe h PRO 160 N 4.34 0.53 -6.35 -0.60 0.11 -1.91 -3.36 132.00 124.77 3hhe h PRO 160 Ca -0.46 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.05 3hhe h PRO 160 Cb 1.21 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hhe h PRO 160 CO 0.69 0.35 1.13 0.34 -0.21 0.00 0.00 178.00 180.31 3hhe n PHE 161 N -4.86 2.43 -1.64 0.65 7.35 -1.26 -2.24 117.46 117.89 3hhe n PHE 161 Ca 0.05 -0.15 -0.09 0.00 -0.76 0.00 0.00 57.45 56.51 3hhe n PHE 161 Cb 0.14 -2.72 -0.02 0.00 0.35 0.00 0.00 39.48 37.23 3hhe n PHE 161 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hhe n GLY 162 N 4.39 0.61 0.35 7.13 0.00 -1.26 -4.91 105.19 111.50 3hhe n GLY 162 Ca 0.21 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.68 3hhe n GLY 162 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hhe h ILE 163 N 0.00 1.07 -0.66 -0.61 2.10 -1.60 0.33 117.51 118.14 3hhe h ILE 163 Ca -0.19 -0.29 0.05 0.00 1.08 0.00 0.00 64.86 65.51 3hhe h ILE 163 Cb 0.82 0.14 -0.05 0.00 -1.09 0.00 0.00 36.82 36.64 3hhe h ILE 163 CO 0.25 0.16 0.38 -0.74 -1.08 0.00 0.00 178.15 177.12 3hhe h HIS 164 N 0.85 0.70 -0.03 2.19 2.76 -1.91 0.36 115.15 120.07 3hhe h HIS 164 Ca 0.31 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.38 3hhe h HIS 164 Cb 0.16 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3hhe h HIS 164 CO -0.00 0.36 -0.58 0.00 -1.30 0.00 0.00 177.93 176.41 3hhe h ALA 165 N 1.32 0.97 -0.46 5.26 0.00 -1.55 -2.25 119.26 122.57 3hhe h ALA 165 Ca 0.29 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3hhe h ALA 165 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hhe h ALA 165 CO -0.16 0.72 -0.12 1.15 0.00 0.00 0.00 179.25 180.84 3hhe h THR 166 N 0.08 1.27 -0.21 0.00 2.02 -0.11 -1.92 112.91 114.04 3hhe h THR 166 Ca -0.00 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 65.96 3hhe h THR 166 Cb 1.05 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3hhe h THR 166 CO 0.08 0.43 0.03 -0.09 0.37 0.00 0.00 175.52 176.33 3hhe h ARG 167 N 0.73 0.10 -0.93 6.66 2.43 -0.12 -1.57 114.38 121.67 3hhe h ARG 167 Ca 0.12 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3hhe h ARG 167 Cb 0.67 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 3hhe h ARG 167 CO 0.05 0.07 0.59 0.82 -1.51 0.00 0.00 179.97 179.98 3hhe h ILE 168 N 0.10 1.02 -0.25 1.20 2.04 -1.26 -0.50 117.51 119.87 3hhe h ILE 168 Ca 0.10 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3hhe h ILE 168 Cb 0.10 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 3hhe h ILE 168 CO -0.14 0.19 -0.18 0.00 0.00 0.00 0.00 178.15 178.02 3hhe h ALA 169 N 1.45 1.22 -0.17 1.87 0.00 -0.92 -0.93 119.26 121.78 3hhe h ALA 169 Ca 0.42 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3hhe h ALA 169 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hhe h ALA 169 CO -0.20 0.50 -0.76 0.82 0.00 0.00 0.00 179.25 179.62 3hhe h ILE 170 N 0.41 1.27 -0.13 0.00 2.04 -0.66 -1.06 117.51 119.38 3hhe h ILE 170 Ca 0.07 -1.95 0.03 0.00 1.00 0.00 0.00 64.86 64.02 3hhe h ILE 170 Cb 0.55 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3hhe h ILE 170 CO 0.04 0.62 -0.07 -0.33 0.00 0.00 0.00 178.15 178.41 3hhe h GLU 171 N 0.56 -0.06 -0.50 2.37 5.08 -0.84 -0.41 114.58 120.78 3hhe h GLU 171 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3hhe h GLU 171 Cb 1.39 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 3hhe h GLU 171 CO 0.16 -0.04 0.09 0.87 -1.00 0.00 0.00 179.01 179.09 3hhe h LYS 172 N -0.06 0.82 -0.58 2.33 1.57 -1.16 -0.08 116.57 119.41 3hhe h LYS 172 Ca 0.08 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3hhe h LYS 172 Cb 0.17 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3hhe h LYS 172 CO -0.17 0.81 0.34 0.00 -0.57 0.00 0.00 179.45 179.86 3hhe h ALA 173 N 0.97 0.76 -0.45 3.86 0.00 -1.12 -1.45 119.26 121.84 3hhe h ALA 173 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3hhe h ALA 173 Cb 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3hhe h ALA 173 CO 0.01 0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.47 3hhe h ALA 174 N 1.28 0.54 -0.30 0.00 0.00 -0.52 -2.06 119.26 118.20 3hhe h ALA 174 Ca 0.24 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3hhe h ALA 174 Cb 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hhe h ALA 174 CO -0.13 -0.21 0.05 -0.44 0.00 0.00 0.00 179.25 178.53 3hhe h ASP 175 N 0.36 -0.01 -0.59 0.00 3.32 -0.70 0.19 116.42 118.99 3hhe h ASP 175 Ca 0.21 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3hhe h ASP 175 Cb 0.18 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3hhe h ASP 175 CO -0.19 0.03 0.36 0.78 -1.72 0.00 0.00 179.24 178.49 3hhe h ASN 176 N 0.16 0.72 0.24 6.45 4.21 -0.96 -2.09 115.58 124.31 3hhe h ASN 176 Ca 0.14 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.61 3hhe h ASN 176 Cb 0.16 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 3hhe h ASN 176 CO -0.19 0.56 -0.23 0.18 -1.29 0.00 0.00 177.43 176.46 3hhe n LEU 177 N -4.41 0.98 -0.75 1.61 4.77 -0.80 -4.95 117.00 113.45 3hhe n LEU 177 Ca 0.06 -0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 3hhe n LEU 177 Cb 0.08 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3hhe n LEU 177 CO 0.37 0.18 0.01 0.61 -1.33 0.00 0.00 177.39 177.23 3hhe n GLY 178 N 1.32 0.80 3.60 -0.72 0.00 -0.36 -5.06 105.19 104.78 3hhe n GLY 178 Ca 0.13 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3hhe n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhe s LEU 179 N -1.50 3.34 0.05 0.99 1.43 0.51 -5.02 118.68 118.49 3hhe s LEU 179 Ca 0.03 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3hhe s LEU 179 Cb -0.01 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3hhe s LEU 179 CO 0.04 0.33 -0.15 -0.44 0.23 0.00 0.00 176.35 176.36 3hhe s SER 180 N -0.61 1.80 0.00 2.29 0.01 -1.26 -4.26 113.70 111.66 3hhe s SER 180 Ca 0.10 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3hhe s SER 180 Cb -0.12 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3hhe s SER 180 CO 0.02 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3hhe n GLY 181 N 1.68 4.43 3.70 3.44 0.00 -1.26 -4.15 105.19 113.03 3hhe n GLY 181 Ca -0.19 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3hhe n GLY 181 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hhe n GLU 182 N -1.89 2.07 -4.10 1.61 0.28 -1.26 -4.72 120.64 112.62 3hhe n GLU 182 Ca 0.00 0.73 -0.34 0.00 -0.16 0.00 0.00 57.16 57.39 3hhe n GLU 182 Cb 0.00 -2.37 -0.15 0.00 1.43 0.00 0.00 31.44 30.36 3hhe n GLU 182 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hhe s ILE 183 N -1.14 2.94 -0.06 3.84 1.01 -1.26 -1.72 121.20 124.81 3hhe s ILE 183 Ca 0.58 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.63 3hhe s ILE 183 Cb -0.54 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 3hhe s ILE 183 CO 0.61 0.47 -0.21 -0.89 0.00 0.00 0.00 174.94 174.91 3hhe s THR 184 N 1.26 1.79 -0.07 2.92 2.01 -0.69 -4.98 115.64 117.90 3hhe s THR 184 Ca 0.03 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3hhe s THR 184 Cb -0.14 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 3hhe s THR 184 CO -0.05 0.50 1.23 -0.22 -0.69 0.00 0.00 174.62 175.40 3hhe s LEU 185 N 0.07 4.27 0.06 4.42 2.96 -1.26 -0.43 118.68 128.77 3hhe s LEU 185 Ca -0.08 1.83 -0.31 0.00 -0.22 0.00 0.00 54.13 55.36 3hhe s LEU 185 Cb -0.14 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3hhe s LEU 185 CO 0.04 -0.63 1.32 -0.60 -1.32 0.00 0.00 176.35 175.17 3hhe s ARG 186 N 2.44 4.35 0.08 1.98 3.52 -0.36 -4.94 118.95 126.02 3hhe s ARG 186 Ca 0.57 1.93 0.05 0.00 -0.13 0.00 0.00 55.73 58.14 3hhe s ARG 186 Cb -0.25 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 3hhe s ARG 186 CO 0.21 -0.42 0.00 -1.64 -0.81 0.00 0.00 175.30 172.65 3hhe s MET 187 N 1.48 2.57 -0.50 5.12 -1.94 -1.26 -0.96 119.30 123.81 3hhe s MET 187 Ca 0.62 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.77 3hhe s MET 187 Cb -0.32 -2.55 0.13 0.00 2.01 0.00 0.00 34.83 34.10 3hhe s MET 187 CO 0.28 0.55 0.28 1.21 -0.01 0.00 0.00 175.02 177.33 3hhe s ASN 188 N -2.25 5.01 1.59 3.03 3.84 0.22 -4.55 114.94 121.83 3hhe s ASN 188 Ca 0.25 -2.54 0.00 0.00 0.21 0.00 0.00 52.86 50.79 3hhe s ASN 188 Cb -0.12 -1.78 0.00 0.00 -0.55 0.00 0.00 41.25 38.81 3hhe s ASN 188 CO 0.18 -0.40 0.00 0.61 -2.79 0.00 0.00 177.10 174.70 3hhe n GLY 189 N 3.86 3.62 0.12 1.21 0.00 -1.26 -2.19 105.19 110.55 3hhe n GLY 189 Ca 0.04 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.41 3hhe n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hhe n ASP 190 N 7.91 0.70 -4.75 1.61 8.00 -1.26 -4.90 116.55 123.86 3hhe n ASP 190 Ca 0.00 -0.53 -0.24 0.00 0.71 0.00 0.00 54.79 54.73 3hhe n ASP 190 Cb 0.00 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3hhe n ASP 190 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hhe s ASP 191 N -2.72 5.15 0.41 -2.24 1.01 -0.93 -5.09 116.67 112.26 3hhe s ASP 191 Ca 0.19 -0.35 -0.26 0.00 0.71 0.00 0.00 52.55 52.83 3hhe s ASP 191 Cb 0.19 -1.20 -0.09 0.00 1.01 0.00 0.00 42.92 42.82 3hhe s ASP 191 CO 0.59 0.01 1.39 -2.84 0.21 0.00 0.00 175.17 174.52 3hhe s PRO 192 N -3.53 3.94 0.22 8.23 0.02 -1.26 0.73 135.00 143.34 3hhe s PRO 192 Ca 0.31 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 3hhe s PRO 192 Cb -0.08 -2.80 -0.10 0.00 0.02 0.00 0.00 34.50 31.54 3hhe s PRO 192 CO 0.22 -0.59 1.43 0.12 -0.33 0.00 0.00 177.00 177.86 3hhe s PHE 193 N -1.20 3.07 -0.15 6.54 5.36 -0.13 -4.50 117.98 126.97 3hhe s PHE 193 Ca 0.57 1.00 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 3hhe s PHE 193 Cb -0.42 -3.79 -0.00 0.00 -0.34 0.00 0.00 43.02 38.47 3hhe s PHE 193 CO 0.55 -2.63 -0.16 0.21 -1.46 0.00 0.00 175.22 171.73 3hhe s LYS 194 N -0.06 3.19 0.82 10.12 2.20 -1.26 -4.14 119.74 130.61 3hhe s LYS 194 Ca 0.61 -0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 55.34 3hhe s LYS 194 Cb -0.41 -2.60 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 3hhe s LYS 194 CO 0.40 0.01 1.10 0.95 -0.36 0.00 0.00 175.35 177.46 3hhe s THR 195 N 0.82 2.86 0.32 3.43 -4.23 0.42 -4.86 115.64 114.39 3hhe s THR 195 Ca -0.05 0.28 0.10 0.00 -1.18 0.00 0.00 61.69 60.83 3hhe s THR 195 Cb -0.15 -3.02 0.31 0.00 1.34 0.00 0.00 72.50 70.98 3hhe s THR 195 CO -0.00 -0.36 1.72 0.44 -0.54 0.00 0.00 174.62 175.88 3hhe h ASP 196 N -1.17 0.65 0.00 3.99 3.32 -1.90 0.02 116.42 121.33 3hhe h ASP 196 Ca -0.48 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hhe h ASP 196 Cb 1.28 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3hhe h ASP 196 CO 0.60 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.81 3hhe n GLY 197 N -1.31 -0.91 2.01 2.75 0.00 -1.26 -4.87 105.19 101.60 3hhe n GLY 197 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hhe n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhe n GLY 198 N 0.69 0.36 3.77 -0.02 0.00 -0.01 -5.06 105.19 104.93 3hhe n GLY 198 Ca 0.15 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 3hhe n GLY 198 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhe s HIS 199 N -2.02 2.35 0.43 1.61 3.76 -1.25 -4.74 115.29 115.43 3hhe s HIS 199 Ca 0.00 -0.67 0.08 0.00 -0.15 0.00 0.00 55.06 54.31 3hhe s HIS 199 Cb 0.00 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 3hhe s HIS 199 CO 0.00 0.07 0.43 -0.06 -0.85 0.00 0.00 174.74 174.33 3hhe s PHE 200 N -2.66 2.65 -0.03 1.40 0.08 -0.35 -0.43 117.98 118.63 3hhe s PHE 200 Ca 0.36 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.93 3hhe s PHE 200 Cb 0.02 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 3hhe s PHE 200 CO 0.20 -0.23 -0.06 0.42 -0.10 0.00 0.00 175.22 175.45 3hhe s ILE 201 N -2.46 0.62 -0.13 0.64 1.01 -1.26 -0.07 121.20 119.54 3hhe s ILE 201 Ca 0.50 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.81 3hhe s ILE 201 Cb -0.05 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 3hhe s ILE 201 CO 0.29 0.22 0.23 -0.36 0.00 0.00 0.00 174.94 175.32 3hhe s PHE 202 N 0.52 3.53 -0.25 3.97 0.08 0.29 -1.22 117.98 124.91 3hhe s PHE 202 Ca -0.07 0.58 -0.09 0.00 0.12 0.00 0.00 56.93 57.46 3hhe s PHE 202 Cb -0.11 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 3hhe s PHE 202 CO 0.00 0.46 0.12 -0.51 -0.10 0.00 0.00 175.22 175.19 3hhe s ASP 203 N -0.24 5.60 -0.39 1.36 1.01 0.43 -0.55 116.67 123.89 3hhe s ASP 203 Ca 0.15 -0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.24 3hhe s ASP 203 Cb -0.13 -2.01 0.04 0.00 1.01 0.00 0.00 42.92 41.83 3hhe s ASP 203 CO 0.04 0.01 0.23 0.00 0.21 0.00 0.00 175.17 175.65 3hhe s ALA 204 N 1.39 3.29 -1.30 5.23 0.00 0.33 -1.70 121.76 129.01 3hhe s ALA 204 Ca 0.06 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 3hhe s ALA 204 Cb -0.15 -2.63 0.14 0.00 0.00 0.00 0.00 23.12 20.48 3hhe s ALA 204 CO 0.06 -1.45 1.86 1.19 0.00 0.00 0.00 175.76 177.41 3hhe n PHE 205 N 5.00 3.48 1.16 0.00 3.72 -0.70 -1.04 117.46 129.07 3hhe n PHE 205 Ca -0.12 -2.92 0.13 0.00 -0.05 0.00 0.00 57.45 54.49 3hhe n PHE 205 Cb 0.45 -2.13 0.37 0.00 -0.94 0.00 0.00 39.48 37.23 3hhe n PHE 205 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3hhe n TRP 206 N 4.80 0.00 0.00 1.38 8.01 -1.26 -4.08 117.44 126.28 3hhe n TRP 206 Ca 0.42 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.61 3hhe n TRP 206 Cb 0.38 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 3hhe n TRP 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hhe n GLY 207 N 1.40 0.78 3.03 6.99 0.00 -0.86 -4.47 105.19 112.06 3hhe n GLY 207 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hhe n GLY 207 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hhe s ARG 208 N 0.00 0.17 -0.39 1.61 3.52 -1.26 -1.28 118.95 121.33 3hhe s ARG 208 Ca 0.00 0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 56.22 3hhe s ARG 208 Cb 0.00 -0.08 0.10 0.00 -1.56 0.00 0.00 34.95 33.41 3hhe s ARG 208 CO 0.00 -0.23 0.16 0.42 -0.81 0.00 0.00 175.30 174.84 3hhe s ILE 209 N 1.88 3.17 0.06 4.11 -1.09 0.12 -4.91 121.20 124.55 3hhe s ILE 209 Ca -0.04 -1.96 0.01 0.00 -2.23 0.00 0.00 60.65 56.44 3hhe s ILE 209 Cb -0.11 -3.13 -0.25 0.00 -1.58 0.00 0.00 42.46 37.39 3hhe s ILE 209 CO -0.08 -0.58 1.08 -0.07 -1.23 0.00 0.00 174.94 174.06 3hhe h LEU 210 N 8.01 0.23 -6.26 2.97 3.38 -1.99 -3.39 115.31 118.27 3hhe h LEU 210 Ca -0.14 -0.27 -0.60 0.00 0.09 0.00 0.00 57.88 56.96 3hhe h LEU 210 Cb 1.05 -0.08 -0.42 0.00 0.09 0.00 0.00 40.66 41.30 3hhe h LEU 210 CO 0.66 1.22 -0.59 0.00 0.09 0.00 0.00 178.44 179.81 3hhe n GLN 211 N -3.41 2.47 -0.02 1.13 1.13 -1.26 -4.93 117.38 112.49 3hhe n GLN 211 Ca -0.08 -4.65 -0.01 0.00 -1.94 0.00 0.00 57.00 50.31 3hhe n GLN 211 Cb 1.00 -2.25 0.26 0.00 0.11 0.00 0.00 30.24 29.36 3hhe n GLN 211 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3hhe h PRO 212 N 4.26 0.56 -0.63 -1.09 0.13 -2.00 -1.50 132.00 131.74 3hhe h PRO 212 Ca 0.20 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3hhe h PRO 212 Cb 0.67 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 3hhe h PRO 212 CO 0.83 0.62 0.30 0.87 -0.23 0.00 0.00 178.00 180.38 3hhe h LYS 213 N 0.53 0.89 -0.01 0.86 6.56 -1.98 0.53 116.57 123.96 3hhe h LYS 213 Ca 0.11 -0.12 -0.26 0.00 -1.06 0.00 0.00 60.65 59.32 3hhe h LYS 213 Cb 0.41 -0.17 0.02 0.00 -0.57 0.00 0.00 32.23 31.92 3hhe h LYS 213 CO 0.02 0.69 -1.01 -0.07 -2.06 0.00 0.00 179.45 177.02 3hhe h LEU 214 N 0.89 0.90 -1.12 2.94 3.38 -1.83 -2.49 115.31 117.98 3hhe h LEU 214 Ca 0.22 -0.73 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3hhe h LEU 214 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hhe h LEU 214 CO -0.03 1.52 0.15 0.25 0.09 0.00 0.00 178.44 180.41 3hhe h LEU 215 N 0.38 0.71 -0.28 1.67 5.85 -1.11 -1.17 115.31 121.35 3hhe h LEU 215 Ca -0.12 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 3hhe h LEU 215 Cb 1.67 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3hhe h LEU 215 CO 0.20 0.68 -0.19 -1.28 -0.34 0.00 0.00 178.44 177.51 3hhe h SER 216 N 0.75 0.65 -0.46 1.25 0.87 -0.89 -1.42 113.55 114.31 3hhe h SER 216 Ca 0.17 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 3hhe h SER 216 Cb 0.24 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3hhe h SER 216 CO -0.01 0.95 0.24 -0.33 -0.53 0.00 0.00 176.83 177.16 3hhe h GLU 217 N 0.36 0.64 -0.26 2.24 4.39 -1.25 -1.50 114.58 119.21 3hhe h GLU 217 Ca 0.06 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3hhe h GLU 217 Cb 0.73 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3hhe h GLU 217 CO 0.05 0.52 -0.16 0.00 -1.16 0.00 0.00 179.01 178.27 3hhe h ALA 218 N 1.09 1.25 0.01 3.43 0.00 -1.16 -2.37 119.26 121.51 3hhe h ALA 218 Ca 0.16 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hhe h ALA 218 Cb 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hhe h ALA 218 CO -0.02 0.49 -0.51 -0.07 0.00 0.00 0.00 179.25 179.14 3hhe h LEU 219 N 0.42 0.43 -1.81 0.00 3.38 -1.12 -3.20 115.31 113.39 3hhe h LEU 219 Ca 0.07 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.28 3hhe h LEU 219 Cb 0.52 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hhe h LEU 219 CO 0.03 1.16 0.16 -0.07 0.09 0.00 0.00 178.44 179.82 3hhe h LEU 220 N -0.26 0.22 -1.33 1.67 3.38 -1.23 -1.60 115.31 116.16 3hhe h LEU 220 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hhe h LEU 220 Cb 1.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hhe h LEU 220 CO 0.10 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3hhe h ALA 221 N 1.86 1.00 -2.16 1.53 0.00 -1.42 -3.43 119.26 116.63 3hhe h ALA 221 Ca 0.10 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.45 3hhe h ALA 221 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hhe h ALA 221 CO -0.02 0.00 1.02 0.42 0.00 0.00 0.00 179.25 180.67 3hhe s ILE 222 N -3.61 3.89 0.31 0.00 1.01 -0.60 -4.92 121.20 117.28 3hhe s ILE 222 Ca 0.02 1.07 0.09 0.00 0.00 0.00 0.00 60.65 61.82 3hhe s ILE 222 Cb 0.09 -3.74 0.31 0.00 0.01 0.00 0.00 42.46 39.13 3hhe s ILE 222 CO 0.53 -0.15 1.71 -0.65 0.00 0.00 0.00 174.94 176.38 3hhe h PRO 223 N 9.23 0.48 0.00 2.79 0.11 -1.87 -1.65 132.00 141.09 3hhe h PRO 223 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hhe h PRO 223 Cb 1.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hhe h PRO 223 CO 0.97 0.32 -0.11 0.41 -0.21 0.00 0.00 178.00 179.39 3hhe n GLY 224 N -1.32 -1.45 3.58 -0.55 0.00 -1.26 -4.74 105.19 99.45 3hhe n GLY 224 Ca 0.26 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3hhe n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhe s VAL 225 N -3.00 4.64 -0.05 1.61 1.01 -0.62 -0.98 120.40 122.99 3hhe s VAL 225 Ca 0.13 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 62.72 3hhe s VAL 225 Cb 0.18 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 32.07 3hhe s VAL 225 CO 0.57 -0.58 1.06 0.58 0.00 0.00 0.00 175.10 176.73 3hhe h VAL 226 N 5.87 1.29 -2.57 2.92 2.07 -1.34 -3.46 116.25 121.02 3hhe h VAL 226 Ca -0.24 -1.35 0.14 0.00 0.82 0.00 0.00 66.70 66.06 3hhe h VAL 226 Cb 1.09 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.94 3hhe h VAL 226 CO 0.96 0.33 0.41 -1.61 0.02 0.00 0.00 177.57 177.67 3hhe s GLU 227 N -3.63 1.43 0.18 1.57 0.41 -1.16 -5.02 118.70 112.48 3hhe s GLU 227 Ca -0.15 -0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 53.59 3hhe s GLU 227 Cb 0.00 0.48 -0.04 0.00 -1.78 0.00 0.00 34.13 32.79 3hhe s GLU 227 CO 0.62 -0.65 0.10 -3.38 -0.49 0.00 0.00 175.26 171.45 3hhe s HIS 228 N -3.37 1.09 -1.71 1.61 -3.43 -1.26 -0.33 115.29 107.89 3hhe s HIS 228 Ca 0.13 -1.32 0.01 0.00 -0.80 0.00 0.00 55.06 53.08 3hhe s HIS 228 Cb -0.03 -0.55 0.03 0.00 -1.43 0.00 0.00 32.58 30.60 3hhe s HIS 228 CO 0.04 -0.58 0.89 0.41 -2.00 0.00 0.00 174.74 173.51 3hhe n GLY 229 N -0.22 -0.16 3.54 -1.38 0.00 0.64 -4.78 105.19 102.83 3hhe n GLY 229 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3hhe n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhe s LEU 230 N -0.75 4.34 -0.41 0.99 1.43 -1.26 -0.94 118.68 122.08 3hhe s LEU 230 Ca 0.02 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 3hhe s LEU 230 Cb 0.01 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.40 3hhe s LEU 230 CO 0.01 -0.80 0.43 -0.36 0.23 0.00 0.00 176.35 175.86 3hhe s PHE 231 N 3.01 3.17 -0.16 0.29 2.99 -0.84 -4.96 117.98 121.49 3hhe s PHE 231 Ca 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 56.93 56.87 3hhe s PHE 231 Cb -0.13 -2.87 -0.01 0.00 0.00 0.00 0.00 43.02 40.01 3hhe s PHE 231 CO 0.20 -0.66 -0.10 -0.51 -0.00 0.00 0.00 175.22 174.15 3hhe s LEU 232 N 2.14 2.80 -1.47 -0.37 1.02 -1.26 -1.61 118.68 119.93 3hhe s LEU 232 Ca 0.12 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 53.92 3hhe s LEU 232 Cb -0.17 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.39 3hhe s LEU 232 CO 0.13 0.10 0.14 0.61 0.02 0.00 0.00 176.35 177.36 3hhe n GLY 233 N 3.96 -0.50 0.18 -3.19 0.00 -1.26 -4.87 105.19 99.51 3hhe n GLY 233 Ca -0.18 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3hhe n GLY 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hhe n LEU 234 N -3.18 2.35 -4.69 0.99 4.77 -1.26 -4.97 117.00 111.01 3hhe n LEU 234 Ca -0.17 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3hhe n LEU 234 Cb 0.64 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3hhe n LEU 234 CO 0.30 0.69 1.10 0.00 -1.33 0.00 0.00 177.39 178.15 3hhe s ALA 235 N -2.44 3.57 -0.17 -1.18 0.00 -1.26 -4.11 121.76 116.17 3hhe s ALA 235 Ca -0.32 0.93 0.16 0.00 0.00 0.00 0.00 51.96 52.73 3hhe s ALA 235 Cb 0.10 -3.58 -0.24 0.00 0.00 0.00 0.00 23.12 19.40 3hhe s ALA 235 CO 0.47 -0.84 0.17 -1.13 0.00 0.00 0.00 175.76 174.43 3hhe n SER 236 N 5.04 0.28 -3.91 0.00 3.41 0.78 -4.83 113.62 114.39 3hhe n SER 236 Ca 0.13 0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 3hhe n SER 236 Cb 0.43 0.71 -0.14 0.00 -0.26 0.00 0.00 64.21 64.96 3hhe n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hhe s ARG 237 N -2.51 0.16 -0.21 4.33 1.81 -1.09 -4.24 118.95 117.20 3hhe s ARG 237 Ca -0.10 -0.10 -0.04 0.00 -1.72 0.00 0.00 55.73 53.76 3hhe s ARG 237 Cb 0.07 -0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.42 3hhe s ARG 237 CO 0.82 0.03 -0.04 0.00 -0.68 0.00 0.00 175.30 175.44 3hhe s ALA 238 N -0.14 2.86 -0.49 2.13 0.00 -0.29 -0.04 121.76 125.80 3hhe s ALA 238 Ca -0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 3hhe s ALA 238 Cb -0.01 -1.69 0.10 0.00 0.00 0.00 0.00 23.12 21.51 3hhe s ALA 238 CO -0.00 -0.29 0.41 0.42 0.00 0.00 0.00 175.76 176.30 3hhe s ILE 239 N 1.25 5.03 -0.19 0.00 1.01 0.16 -0.53 121.20 127.93 3hhe s ILE 239 Ca 0.03 -1.30 -0.00 0.00 0.00 0.00 0.00 60.65 59.38 3hhe s ILE 239 Cb -0.14 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.23 3hhe s ILE 239 CO -0.01 -0.68 -0.16 -0.69 0.00 0.00 0.00 174.94 173.40 3hhe s VAL 240 N 1.58 2.41 -0.14 2.92 1.01 -0.62 -1.81 120.40 125.74 3hhe s VAL 240 Ca 0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 3hhe s VAL 240 Cb -0.26 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3hhe s VAL 240 CO 0.04 0.51 0.72 0.00 0.00 0.00 0.00 175.10 176.38 3hhe s ALA 241 N 1.34 3.47 0.33 5.51 0.00 -0.35 -1.31 121.76 130.75 3hhe s ALA 241 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 3hhe s ALA 241 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3hhe s ALA 241 CO -0.10 -0.44 0.56 -1.64 0.00 0.00 0.00 175.76 174.14 3hhe s MET 242 N 1.63 3.53 0.38 0.00 -1.94 0.22 -1.69 119.30 121.43 3hhe s MET 242 Ca 0.35 -0.19 0.07 0.00 -1.71 0.00 0.00 55.69 54.22 3hhe s MET 242 Cb -0.17 -2.64 0.80 0.00 2.01 0.00 0.00 34.83 34.83 3hhe s MET 242 CO 0.14 0.15 1.96 0.00 -0.01 0.00 0.00 175.02 177.26 3hhe h ALA 243 N 1.07 1.76 -0.21 3.03 0.00 -1.97 -0.95 119.26 121.99 3hhe h ALA 243 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hhe h ALA 243 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hhe h ALA 243 CO 0.63 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 3hhe n ASP 244 N -4.48 1.74 0.00 0.00 5.68 -1.26 -4.89 116.55 113.34 3hhe n ASP 244 Ca 0.10 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 3hhe n ASP 244 Cb 0.26 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3hhe n ASP 244 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hhe n SER 245 N 0.18 0.00 -4.74 -1.12 7.64 -0.36 -5.03 113.62 110.18 3hhe n SER 245 Ca 0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 3hhe n SER 245 Cb 0.34 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 3hhe n SER 245 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3hhe s GLN 246 N -0.31 4.21 -0.39 1.43 0.74 -1.26 -4.71 119.66 119.37 3hhe s GLN 246 Ca 0.00 2.41 -0.07 0.00 0.05 0.00 0.00 55.36 57.76 3hhe s GLN 246 Cb 0.00 -3.09 0.07 0.00 1.10 0.00 0.00 33.01 31.10 3hhe s GLN 246 CO 0.00 -0.53 0.19 0.42 -0.55 0.00 0.00 175.29 174.82 3hhe s ILE 247 N 0.19 3.81 -0.06 -2.34 1.01 -1.26 0.70 121.20 123.25 3hhe s ILE 247 Ca 0.63 -1.46 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 3hhe s ILE 247 Cb -0.44 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3hhe s ILE 247 CO 0.43 -0.42 0.55 -0.54 0.00 0.00 0.00 174.94 174.96 3hhe s LYS 248 N 1.35 4.32 -0.45 2.79 1.02 -0.42 -4.91 119.74 123.43 3hhe s LYS 248 Ca 0.02 0.62 -0.16 0.00 0.02 0.00 0.00 55.97 56.47 3hhe s LYS 248 Cb -0.22 -3.39 0.04 0.00 -0.52 0.00 0.00 37.83 33.75 3hhe s LYS 248 CO 0.01 0.26 0.41 0.08 -0.92 0.00 0.00 175.35 175.18 3hhe s VAL 249 N 0.23 5.16 0.14 3.17 1.01 -1.26 -1.59 120.40 127.26 3hhe s VAL 249 Ca 0.30 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3hhe s VAL 249 Cb -0.17 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3hhe s VAL 249 CO 0.14 -0.50 -0.08 -0.76 0.00 0.00 0.00 175.10 173.91 3hhe s LEU 250 N 1.89 3.09 0.37 3.92 1.43 0.31 -4.97 118.68 124.73 3hhe s LEU 250 Ca 0.08 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3hhe s LEU 250 Cb -0.20 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3hhe s LEU 250 CO 0.10 0.14 0.10 -1.61 0.23 0.00 0.00 176.35 175.31 3hhe s GLU 251 N -2.51 2.19 0.50 1.70 2.02 -1.26 -1.14 118.70 120.20 3hhe s GLU 251 Ca 0.24 -1.76 0.15 0.00 0.02 0.00 0.00 54.97 53.62 3hhe s GLU 251 Cb -0.10 -1.98 1.20 0.00 0.10 0.00 0.00 34.13 33.34 3hhe s GLU 251 CO 0.15 0.02 2.11 -1.35 0.02 0.00 0.00 175.26 176.22 3hhe h PRO 252 N 1.60 0.02 0.00 0.39 0.11 -1.86 -0.89 132.00 131.37 3hhe h PRO 252 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hhe h PRO 252 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hhe h PRO 252 CO 0.68 0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 3hhe h PHE 253 N 0.02 0.00 -0.00 0.65 -5.15 -1.96 -1.43 116.94 109.06 3hhe h PHE 253 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hhe h PHE 253 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.24 3hhe h PHE 253 CO 0.00 0.00 -0.02 -0.25 -2.00 0.00 0.00 178.31 176.04 3hhe n ASP 254 N -2.55 0.11 -0.15 -0.68 8.00 -0.34 -5.05 116.55 115.89 3hhe n ASP 254 Ca -0.01 -0.44 0.02 0.00 0.71 0.00 0.00 54.79 55.07 3hhe n ASP 254 Cb 0.12 -0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 3hhe n ASP 254 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30