#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 1.43 -0.89 3.53 -1.51 -2.02 -2.76 116.25 114.03 3hhe h VAL 24 Ca 0.00 -2.53 0.07 0.00 -1.23 0.00 0.00 66.70 63.01 3hhe h VAL 24 Cb 0.00 2.46 -0.07 0.00 -2.13 0.00 0.00 31.29 31.55 3hhe h VAL 24 CO 0.00 0.75 0.55 -0.61 -1.23 0.00 0.00 177.57 177.03 3hhe h GLN 25 N 0.19 0.94 0.02 5.19 4.15 -2.01 0.24 115.11 123.82 3hhe h GLN 25 Ca -0.07 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.30 3hhe h GLN 25 Cb 1.58 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 3hhe h GLN 25 CO 0.16 0.62 -0.05 1.96 -1.93 0.00 0.00 178.83 179.59 3hhe h GLN 26 N 0.97 -0.10 -0.82 1.69 4.20 -1.99 -1.15 115.11 117.89 3hhe h GLN 26 Ca 0.40 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.15 3hhe h GLN 26 Cb 0.23 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3hhe h GLN 26 CO -0.19 -0.07 0.52 -0.07 -0.67 0.00 0.00 178.83 178.35 3hhe h LEU 27 N -0.11 0.87 -0.29 1.46 3.38 -1.10 0.40 115.31 119.91 3hhe h LEU 27 Ca 0.02 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hhe h LEU 27 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hhe h LEU 27 CO -0.04 0.59 0.12 0.11 0.09 0.00 0.00 178.44 179.31 3hhe h LYS 28 N 1.02 0.26 -0.36 1.13 1.57 -0.25 0.61 116.57 120.54 3hhe h LYS 28 Ca 0.33 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3hhe h LYS 28 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3hhe h LYS 28 CO -0.12 0.17 0.23 0.87 -0.57 0.00 0.00 179.45 180.04 3hhe h LYS 29 N 0.27 0.49 -0.51 3.15 1.57 -0.76 -0.22 116.57 120.56 3hhe h LYS 29 Ca 0.12 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3hhe h LYS 29 Cb 0.07 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3hhe h LYS 29 CO -0.11 0.34 0.27 0.52 -0.57 0.00 0.00 179.45 179.91 3hhe h MET 30 N 0.49 0.52 -0.88 3.15 2.86 -0.60 0.29 114.93 120.76 3hhe h MET 30 Ca 0.13 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3hhe h MET 30 Cb -0.03 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 3hhe h MET 30 CO -0.03 0.35 0.58 0.00 1.06 0.00 0.00 176.91 178.87 3hhe h ALA 31 N 1.26 1.12 -0.27 6.32 0.00 -0.53 -1.94 119.26 125.21 3hhe h ALA 31 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hhe h ALA 31 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hhe h ALA 31 CO -0.13 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 3hhe h ALA 32 N 1.32 0.37 -0.59 0.00 0.00 -0.18 -1.64 119.26 118.54 3hhe h ALA 32 Ca 0.32 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hhe h ALA 32 Cb -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3hhe h ALA 32 CO -0.07 0.18 0.35 -0.07 0.00 0.00 0.00 179.25 179.64 3hhe h LEU 33 N 0.28 0.55 -0.67 0.00 3.38 -0.31 -1.32 115.31 117.21 3hhe h LEU 33 Ca 0.07 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3hhe h LEU 33 Cb 0.54 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3hhe h LEU 33 CO 0.03 0.38 0.17 0.50 0.09 0.00 0.00 178.44 179.60 3hhe h LYS 34 N 0.68 1.07 -0.23 1.13 1.63 -1.16 -2.87 116.57 116.82 3hhe h LYS 34 Ca 0.25 -0.25 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 3hhe h LYS 34 Cb 0.07 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3hhe h LYS 34 CO -0.12 0.95 -0.30 0.00 -3.45 0.00 0.00 179.45 176.53 3hhe h ALA 35 N 1.07 1.06 -0.37 5.00 0.00 -1.04 -2.51 119.26 122.48 3hhe h ALA 35 Ca 0.21 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3hhe h ALA 35 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hhe h ALA 35 CO 0.00 0.58 0.29 1.25 0.00 0.00 0.00 179.25 181.37 3hhe h LEU 36 N 0.39 0.00 -1.94 0.00 5.85 -1.01 -1.72 115.31 116.88 3hhe h LEU 36 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hhe h LEU 36 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3hhe h LEU 36 CO 0.06 0.00 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.74 3hhe h GLU 37 N 0.00 0.00 -0.00 1.25 5.08 -1.46 -1.14 114.58 118.30 3hhe h GLU 37 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hhe h GLU 37 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3hhe h GLU 37 CO -0.00 0.09 -0.13 1.19 -1.00 0.00 0.00 179.01 179.16 3hhe n PHE 38 N -3.46 0.00 -2.80 4.33 3.72 -0.65 -4.77 117.46 113.83 3hhe n PHE 38 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 3hhe n PHE 38 Cb 0.24 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.54 4.71 0.15 -4.37 1.01 -0.43 -5.03 120.40 113.90 3hhe s VAL 39 Ca 0.27 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.90 3hhe s VAL 39 Cb 0.20 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3hhe s VAL 39 CO 0.49 -0.25 -0.09 -1.61 0.00 0.00 0.00 175.10 173.64 3hhe s GLU 40 N 3.15 2.10 0.09 2.72 2.02 -1.26 -5.05 118.70 122.47 3hhe s GLU 40 Ca 0.38 -1.16 -0.35 0.00 0.02 0.00 0.00 54.97 53.86 3hhe s GLU 40 Cb -0.14 -2.23 -0.18 0.00 0.10 0.00 0.00 34.13 31.68 3hhe s GLU 40 CO 0.11 0.46 0.98 -0.25 0.02 0.00 0.00 175.26 176.58 3hhe n ASP 41 N 0.29 0.12 -0.41 -0.19 8.00 -1.26 -2.50 116.55 120.60 3hhe n ASP 41 Ca -0.12 1.15 -0.05 0.00 0.71 0.00 0.00 54.79 56.47 3hhe n ASP 41 Cb 0.54 -1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 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 1.81 -4.04 -4.79 -2.24 8.00 0.45 -4.96 116.55 110.78 3hhe n ASP 42 Ca 0.18 0.13 -0.35 0.00 0.71 0.00 0.00 54.79 55.46 3hhe n ASP 42 Cb 0.17 -2.01 -0.03 0.00 -0.02 0.00 0.00 41.12 39.23 3hhe n ASP 42 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hhe s MET 43 N -2.04 3.80 -0.35 -1.24 -1.94 -1.04 -4.91 119.30 111.58 3hhe s MET 43 Ca 0.00 1.50 -0.13 0.00 -1.71 0.00 0.00 55.69 55.35 3hhe s MET 43 Cb 0.00 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.59 3hhe s MET 43 CO 0.00 -0.45 0.27 1.03 -0.01 0.00 0.00 175.02 175.85 3hhe s ARG 44 N -2.98 3.44 -0.10 2.03 0.52 -1.26 -2.53 118.95 118.07 3hhe s ARG 44 Ca 0.65 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 55.19 3hhe s ARG 44 Cb -0.21 -3.83 -0.03 0.00 0.52 0.00 0.00 34.95 31.40 3hhe s ARG 44 CO 0.25 -0.50 -0.02 -0.51 0.02 0.00 0.00 175.30 174.54 3hhe s LEU 45 N 1.76 3.42 0.07 2.53 1.43 0.19 -0.82 118.68 127.26 3hhe s LEU 45 Ca 0.07 0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 3hhe s LEU 45 Cb -0.17 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 3hhe s LEU 45 CO 0.11 0.32 0.61 -0.83 0.23 0.00 0.00 176.35 176.78 3hhe s GLY 46 N -0.52 2.70 -0.24 -3.19 0.00 0.12 -0.29 107.32 105.91 3hhe s GLY 46 Ca 0.08 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.92 3hhe s GLY 46 CO 0.02 0.59 -0.12 -0.42 0.00 0.00 0.00 173.10 173.17 3hhe s ILE 47 N -0.91 2.05 0.00 0.90 -1.09 0.67 -1.50 121.20 121.32 3hhe s ILE 47 Ca 0.31 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 3hhe s ILE 47 Cb -0.20 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 3hhe s ILE 47 CO 0.20 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 3hhe n GLY 48 N 4.51 -1.64 3.24 6.18 0.00 0.77 -1.71 105.19 116.54 3hhe n GLY 48 Ca -0.15 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.31 0.59 0.00 1.61 0.01 -1.26 -4.49 113.70 108.85 3hhe s SER 49 Ca 0.00 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.91 3hhe s SER 49 Cb 0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 3hhe s SER 49 CO 0.00 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.49 3hhe n GLY 50 N -0.31 2.26 0.28 3.44 0.00 -1.26 -4.12 105.19 105.47 3hhe n GLY 50 Ca -0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 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 0.64 -0.05 1.61 4.64 -2.01 0.22 113.55 118.59 3hhe h SER 51 Ca 0.00 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3hhe h SER 51 Cb 0.00 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3hhe h SER 51 CO 0.00 0.72 0.02 0.74 -0.87 0.00 0.00 176.83 177.44 3hhe h THR 52 N 0.63 1.14 -0.27 2.95 2.02 -1.93 -2.66 112.91 114.79 3hhe h THR 52 Ca 0.12 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hhe h THR 52 Cb 0.43 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3hhe h THR 52 CO 0.02 0.12 0.16 0.58 0.37 0.00 0.00 175.52 176.77 3hhe h VAL 53 N -0.08 1.08 0.00 3.16 2.07 -1.74 -1.74 116.25 119.00 3hhe h VAL 53 Ca 0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3hhe h VAL 53 Cb 0.17 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3hhe h VAL 53 CO -0.00 0.08 -0.05 0.78 0.02 0.00 0.00 177.57 178.40 3hhe h ASN 54 N 0.37 0.00 0.82 0.57 2.35 -0.61 -0.77 115.58 118.31 3hhe h ASN 54 Ca 0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3hhe h ASN 54 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3hhe h ASN 54 CO -0.02 0.05 -0.69 -0.33 -1.65 0.00 0.00 177.43 174.79 3hhe h GLU 55 N 0.00 0.00 0.17 0.81 4.39 -1.14 -3.35 114.58 115.46 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 0.11 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3hhe h GLU 55 CO 0.01 0.69 -1.33 0.35 -1.16 0.00 0.00 179.01 177.56 3hhe h PHE 56 N 0.00 1.01 -0.27 4.33 3.57 -0.99 -3.33 116.94 121.25 3hhe h PHE 56 Ca -0.01 -0.67 -0.00 0.00 3.53 0.00 0.00 57.97 60.82 3hhe h PHE 56 Cb 1.28 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3hhe h PHE 56 CO 0.00 1.51 0.17 0.82 -2.23 0.00 0.00 178.31 178.58 3hhe h ILE 57 N 0.22 1.09 -0.75 1.41 2.04 -1.49 -0.64 117.51 119.39 3hhe h ILE 57 Ca -0.22 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3hhe h ILE 57 Cb 2.02 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3hhe h ILE 57 CO 0.25 0.09 0.45 -0.65 0.00 0.00 0.00 178.15 178.30 3hhe h PRO 58 N 0.35 1.02 -0.59 2.37 0.11 -1.73 0.15 132.00 133.68 3hhe h PRO 58 Ca 0.10 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 3hhe h PRO 58 Cb -0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3hhe h PRO 58 CO -0.02 0.71 0.18 -0.07 -0.21 0.00 0.00 178.00 178.60 3hhe h LEU 59 N 1.04 0.86 -0.43 2.35 3.38 -1.55 0.88 115.31 121.83 3hhe h LEU 59 Ca 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hhe h LEU 59 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3hhe h LEU 59 CO -0.05 0.84 0.20 0.25 0.09 0.00 0.00 178.44 179.77 3hhe h LEU 60 N 0.84 0.57 -0.61 1.67 5.85 -0.67 -1.92 115.31 121.05 3hhe h LEU 60 Ca 0.19 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3hhe h LEU 60 Cb 0.29 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3hhe h LEU 60 CO -0.01 0.56 0.26 1.23 -0.34 0.00 0.00 178.44 180.14 3hhe h GLY 61 N 0.55 0.86 1.51 3.75 0.00 -0.09 -0.34 103.07 109.31 3hhe h GLY 61 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3hhe h GLY 61 CO -0.02 0.03 0.20 0.83 0.00 0.00 0.00 176.54 177.59 3hhe h GLU 62 N 0.47 0.64 -0.25 4.80 5.08 -0.42 0.26 114.58 125.16 3hhe h GLU 62 Ca 0.30 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 3hhe h GLU 62 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hhe h GLU 62 CO -0.26 0.52 -0.45 0.00 -1.00 0.00 0.00 179.01 177.81 3hhe h ARG 63 N 0.65 0.64 -0.41 2.33 3.08 -0.57 -2.90 114.38 117.20 3hhe h ARG 63 Ca 0.16 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3hhe h ARG 63 Cb 0.10 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3hhe h ARG 63 CO -0.02 0.96 0.17 0.28 -1.07 0.00 0.00 179.97 180.30 3hhe h VAL 64 N 0.52 1.20 -0.98 2.04 2.07 -0.28 -1.81 116.25 119.01 3hhe h VAL 64 Ca 0.03 -0.60 0.18 0.00 0.82 0.00 0.00 66.70 67.14 3hhe h VAL 64 Cb 0.99 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 3hhe h VAL 64 CO 0.09 0.22 0.61 0.00 0.02 0.00 0.00 177.57 178.51 3hhe h ALA 65 N 1.02 1.80 0.00 1.67 0.00 -0.92 0.75 119.26 123.57 3hhe h ALA 65 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hhe h ALA 65 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hhe h ALA 65 CO -0.01 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.20 3hhe n ASN 66 N -4.67 0.00 0.00 0.00 4.13 -0.84 -4.87 115.26 109.01 3hhe n ASN 66 Ca 0.21 -1.43 0.00 0.00 1.68 0.00 0.00 54.58 55.05 3hhe n ASN 66 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 3hhe n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hhe n GLY 67 N 0.70 0.55 3.76 7.41 0.00 0.26 -5.08 105.19 112.79 3hhe n GLY 67 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3hhe n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hhe s LEU 68 N 0.00 4.35 -0.27 0.99 2.96 -0.74 -4.98 118.68 120.99 3hhe s LEU 68 Ca 0.00 2.91 -0.05 0.00 -0.22 0.00 0.00 54.13 56.77 3hhe s LEU 68 Cb 0.00 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.05 3hhe s LEU 68 CO 0.00 -0.83 0.03 -0.60 -1.32 0.00 0.00 176.35 173.63 3hhe s ARG 69 N -1.08 3.13 0.05 1.98 3.52 -1.26 -4.39 118.95 120.89 3hhe s ARG 69 Ca 0.58 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 3hhe s ARG 69 Cb -0.46 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3hhe s ARG 69 CO 0.52 -0.38 -0.04 0.14 -0.81 0.00 0.00 175.30 174.74 3hhe s VAL 70 N 1.47 0.26 -0.07 7.11 -7.23 -1.26 0.17 120.40 120.86 3hhe s VAL 70 Ca 0.03 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 3hhe s VAL 70 Cb -0.16 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.69 3hhe s VAL 70 CO 0.00 -0.79 -0.16 -0.89 -0.31 0.00 0.00 175.10 172.95 3hhe s THR 71 N -2.96 1.41 -0.02 5.32 2.01 -1.05 -4.34 115.64 116.00 3hhe s THR 71 Ca -0.01 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.41 3hhe s THR 71 Cb 0.01 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 3hhe s THR 71 CO -0.06 0.41 -0.25 0.00 -0.69 0.00 0.00 174.62 174.03 3hhe s VAL 73 N -0.62 4.75 0.37 0.00 1.01 0.61 -1.18 120.40 125.34 3hhe s VAL 73 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3hhe s VAL 73 Cb -0.10 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3hhe s VAL 73 CO -0.01 0.34 0.68 0.00 0.00 0.00 0.00 175.10 176.11 3hhe s ALA 74 N 1.39 3.48 -0.99 5.51 0.00 -1.26 -0.24 121.76 129.65 3hhe s ALA 74 Ca 0.06 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.67 3hhe s ALA 74 Cb -0.15 -2.50 0.12 0.00 0.00 0.00 0.00 23.12 20.59 3hhe s ALA 74 CO 0.05 0.01 0.90 0.25 0.00 0.00 0.00 175.76 176.98 3hhe n THR 75 N -1.38 0.29 -3.79 0.00 -2.24 -0.69 -4.90 114.28 101.57 3hhe n THR 75 Ca 0.00 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 3hhe n THR 75 Cb 0.54 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.81 -0.30 0.06 3.42 1.04 -1.26 -4.35 113.70 111.50 3hhe s SER 76 Ca 0.13 -0.52 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 3hhe s SER 76 Cb 0.08 0.69 -0.19 0.00 0.10 0.00 0.00 66.02 66.71 3hhe s SER 76 CO 0.11 -1.26 1.23 1.56 0.98 0.00 0.00 173.24 175.86 3hhe h GLN 77 N 2.02 0.61 -0.72 4.02 4.20 -1.99 -2.60 115.11 120.66 3hhe h GLN 77 Ca -0.22 -0.53 0.02 0.00 0.06 0.00 0.00 58.65 57.98 3hhe h GLN 77 Cb 1.26 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.12 3hhe h GLN 77 CO 0.27 1.15 0.46 -0.92 -0.67 0.00 0.00 178.83 179.12 3hhe h TYR 78 N 0.24 0.87 -0.47 2.96 3.20 -1.98 0.17 116.97 121.96 3hhe h TYR 78 Ca -0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3hhe h TYR 78 Cb 1.30 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3hhe h TYR 78 CO 0.11 0.52 0.03 0.77 -1.64 0.00 0.00 178.16 177.94 3hhe h SER 79 N 0.92 0.72 -0.46 -2.11 0.02 -1.87 -0.07 113.55 110.71 3hhe h SER 79 Ca 0.28 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3hhe h SER 79 Cb -0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3hhe h SER 79 CO -0.09 0.77 -0.25 -0.08 -1.14 0.00 0.00 176.83 176.05 3hhe h GLU 80 N 0.72 0.98 -0.05 3.45 4.81 -1.03 -0.81 114.58 122.64 3hhe h GLU 80 Ca 0.15 -0.44 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3hhe h GLU 80 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hhe h GLU 80 CO 0.01 1.11 -0.02 0.37 -0.73 0.00 0.00 179.01 179.76 3hhe h GLN 81 N 0.82 -0.01 -0.82 1.92 4.15 -0.07 -1.26 115.11 119.85 3hhe h GLN 81 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3hhe h GLN 81 Cb 0.83 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.48 3hhe h GLN 81 CO 0.07 -0.00 0.47 -0.07 -1.93 0.00 0.00 178.83 177.37 3hhe h LEU 82 N -0.01 1.00 0.13 -2.39 3.38 -1.01 -0.28 115.31 116.13 3hhe h LEU 82 Ca 0.03 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hhe h LEU 82 Cb 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hhe h LEU 82 CO -0.06 0.79 -0.36 0.00 0.09 0.00 0.00 178.44 178.90 3hhe h HIS 84 N -0.60 0.39 -0.07 0.00 3.86 -1.01 0.28 115.15 117.99 3hhe h HIS 84 Ca 0.03 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3hhe h HIS 84 Cb 0.62 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3hhe h HIS 84 CO -0.31 0.15 0.06 -0.22 0.86 0.00 0.00 177.93 178.47 3hhe h LYS 85 N 0.42 0.00 -0.28 2.45 3.64 -0.68 -2.86 116.57 119.26 3hhe h LYS 85 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3hhe h LYS 85 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3hhe h LYS 85 CO -0.22 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.15 3hhe n PHE 86 N -4.10 0.38 -2.30 1.91 3.01 -0.41 -4.99 117.46 110.97 3hhe n PHE 86 Ca -0.01 -0.50 -0.08 0.00 1.01 0.00 0.00 57.45 57.87 3hhe n PHE 86 Cb 0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 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 0.32 0.13 3.62 1.37 0.00 -0.56 -4.45 105.19 105.62 3hhe n GLY 87 Ca 0.09 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.53 4.99 0.56 1.61 1.01 -0.02 -4.87 120.40 121.14 3hhe s VAL 88 Ca 0.04 1.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.92 3hhe s VAL 88 Cb -0.02 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3hhe s VAL 88 CO 0.05 0.03 1.19 -2.84 0.00 0.00 0.00 175.10 173.53 3hhe s PRO 89 N 2.49 3.18 -0.07 2.72 0.02 -1.26 -4.33 135.00 137.74 3hhe s PRO 89 Ca 0.26 1.79 0.02 0.00 0.02 0.00 0.00 61.00 63.08 3hhe s PRO 89 Cb -0.15 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.36 3hhe s PRO 89 CO 0.09 -1.03 -0.12 0.42 -0.33 0.00 0.00 177.00 176.02 3hhe s ILE 90 N -1.62 1.14 0.00 2.83 -1.09 -1.26 -1.88 121.20 119.31 3hhe s ILE 90 Ca 0.74 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 3hhe s ILE 90 Cb -0.29 -1.05 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 3hhe s ILE 90 CO 0.32 0.36 0.00 -0.24 -1.23 0.00 0.00 174.94 174.15 3hhe n SER 91 N 3.90 0.38 -4.25 3.58 2.88 -0.32 -4.89 113.62 114.89 3hhe n SER 91 Ca -0.22 -0.60 -0.18 0.00 -1.33 0.00 0.00 58.87 56.54 3hhe n SER 91 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.33 1.35 0.61 2.46 -4.23 -1.26 -4.45 115.64 108.79 3hhe s THR 92 Ca 0.00 -1.79 0.32 0.00 -1.18 0.00 0.00 61.69 59.04 3hhe s THR 92 Cb 0.00 -1.61 0.37 0.00 1.34 0.00 0.00 72.50 72.60 3hhe s THR 92 CO 0.00 -0.46 2.19 -0.07 -0.54 0.00 0.00 174.62 175.74 3hhe h LEU 93 N 3.37 0.00 -0.07 4.79 3.38 -1.96 0.35 115.31 125.17 3hhe h LEU 93 Ca -0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hhe h LEU 93 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hhe h LEU 93 CO 0.53 0.00 0.03 -0.08 0.09 0.00 0.00 178.44 179.01 3hhe h GLU 94 N 0.00 0.10 -0.14 1.13 4.57 -1.96 -2.30 114.58 115.98 3hhe h GLU 94 Ca 0.04 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 3hhe h GLU 94 Cb 0.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3hhe h GLU 94 CO -0.00 0.20 -0.32 0.87 -1.18 0.00 0.00 179.01 178.59 3hhe h LYS 95 N -0.03 0.47 -3.13 1.92 1.57 -1.78 -3.40 116.57 112.19 3hhe h LYS 95 Ca 0.02 -0.31 -0.62 0.00 -1.87 0.00 0.00 60.65 57.87 3hhe h LYS 95 Cb 0.14 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.09 3hhe h LYS 95 CO -0.00 0.92 -0.69 0.96 -0.57 0.00 0.00 179.45 180.06 3hhe s ILE 96 N -3.98 1.89 0.14 1.86 -4.36 0.12 -4.98 121.20 111.89 3hhe s ILE 96 Ca -0.13 -2.92 0.29 0.00 -0.26 0.00 0.00 60.65 57.63 3hhe s ILE 96 Cb 0.06 -2.31 0.32 0.00 1.25 0.00 0.00 42.46 41.77 3hhe s ILE 96 CO 0.79 -0.87 1.93 1.55 0.24 0.00 0.00 174.94 178.58 3hhe h PRO 97 N 6.56 0.00 -4.50 0.37 0.13 -1.64 -3.37 132.00 129.55 3hhe h PRO 97 Ca -0.02 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.56 3hhe h PRO 97 Cb 0.91 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.68 3hhe h PRO 97 CO 0.57 0.10 -0.82 -1.21 -0.23 0.00 0.00 178.00 176.41 3hhe s GLU 98 N -3.70 1.84 0.16 0.86 8.01 -1.26 -4.82 118.70 119.79 3hhe s GLU 98 Ca 0.01 -0.41 0.05 0.00 0.01 0.00 0.00 54.97 54.62 3hhe s GLU 98 Cb 0.10 -1.67 -0.04 0.00 -4.31 0.00 0.00 34.13 28.21 3hhe s GLU 98 CO 0.58 -0.12 0.17 -0.51 0.01 0.00 0.00 175.26 175.39 3hhe s LEU 99 N 1.18 3.91 -0.01 1.80 1.43 0.86 -4.99 118.68 122.87 3hhe s LEU 99 Ca -0.04 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 3hhe s LEU 99 Cb -0.14 -2.51 -0.28 0.00 0.03 0.00 0.00 46.19 43.29 3hhe s LEU 99 CO -0.03 0.06 1.02 0.44 0.23 0.00 0.00 176.35 178.07 3hhe h ASP 100 N 2.32 0.57 -3.40 2.29 3.32 -1.29 0.48 116.42 120.71 3hhe h ASP 100 Ca -0.48 -0.85 -0.15 0.00 0.02 0.00 0.00 57.03 55.58 3hhe h ASP 100 Cb 1.20 -0.18 -0.27 0.00 0.22 0.00 0.00 39.33 40.30 3hhe h ASP 100 CO 0.64 1.36 -0.37 -0.22 -1.72 0.00 0.00 179.24 178.94 3hhe s LEU 101 N -8.07 0.25 -0.14 1.55 2.96 -1.11 -3.04 118.68 111.07 3hhe s LEU 101 Ca -0.13 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3hhe s LEU 101 Cb 0.03 1.10 -0.03 0.00 0.50 0.00 0.00 46.19 47.79 3hhe s LEU 101 CO 0.85 -0.17 -0.04 -0.62 -1.32 0.00 0.00 176.35 175.05 3hhe s ASP 102 N 1.10 4.81 -0.20 3.68 2.15 -0.50 0.11 116.67 127.82 3hhe s ASP 102 Ca -0.07 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.81 3hhe s ASP 102 Cb -0.08 -1.71 0.02 0.00 -0.30 0.00 0.00 42.92 40.85 3hhe s ASP 102 CO -0.09 0.20 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.33 3hhe s ILE 103 N 0.18 2.31 0.09 4.11 -1.09 -0.56 -0.09 121.20 126.16 3hhe s ILE 103 Ca -0.02 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 57.35 3hhe s ILE 103 Cb -0.14 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 3hhe s ILE 103 CO 0.03 0.42 0.15 -0.62 -1.23 0.00 0.00 174.94 173.69 3hhe s ASP 104 N 1.29 0.19 0.43 3.58 -1.08 -0.72 -0.16 116.67 120.20 3hhe s ASP 104 Ca 0.03 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 3hhe s ASP 104 Cb -0.14 0.32 0.03 0.00 -1.46 0.00 0.00 42.92 41.67 3hhe s ASP 104 CO -0.10 -0.73 0.20 0.61 0.52 0.00 0.00 175.17 175.67 3hhe n GLY 105 N -0.05 0.81 3.51 2.66 0.00 -1.26 -0.52 105.19 110.34 3hhe n GLY 105 Ca -0.13 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.80 -1.52 0.13 4.61 0.00 -1.26 -4.83 121.76 116.09 3hhe s ALA 106 Ca 0.13 1.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.64 3hhe s ALA 106 Cb -0.01 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 3hhe s ALA 106 CO 0.09 -0.30 1.33 -0.44 0.00 0.00 0.00 175.76 176.44 3hhe h ASP 107 N 4.83 0.66 -4.47 0.00 3.32 -1.39 -3.45 116.42 115.91 3hhe h ASP 107 Ca -0.28 -0.48 -0.18 0.00 0.02 0.00 0.00 57.03 56.11 3hhe h ASP 107 Cb 1.16 -0.20 -0.24 0.00 0.22 0.00 0.00 39.33 40.28 3hhe h ASP 107 CO 0.17 1.26 -0.61 -1.61 -1.72 0.00 0.00 179.24 176.72 3hhe s GLU 108 N -3.48 0.26 -0.20 3.56 2.02 -0.84 -4.79 118.70 115.24 3hhe s GLU 108 Ca -0.07 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.67 3hhe s GLU 108 Cb 0.09 0.11 0.04 0.00 0.10 0.00 0.00 34.13 34.47 3hhe s GLU 108 CO 0.87 -0.05 -0.10 0.42 0.02 0.00 0.00 175.26 176.42 3hhe s ILE 109 N -0.81 1.65 0.00 -1.63 1.01 0.16 -1.72 121.20 119.86 3hhe s ILE 109 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3hhe s ILE 109 Cb -0.05 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3hhe s ILE 109 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3hhe n GLY 110 N 4.68 7.06 3.61 6.18 0.00 -0.43 -0.73 105.19 125.56 3hhe n GLY 110 Ca -0.15 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 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 1.31 -1.86 1.61 -0.02 -1.26 -1.32 135.00 133.46 3hhe n PRO 111 Ca 0.00 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 3hhe n PRO 111 Cb 0.00 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.05 -1.77 -3.65 -0.52 -0.00 0.10 -1.92 120.64 112.83 3hhe n GLU 112 Ca 0.10 0.56 -0.27 0.00 -0.00 0.00 0.00 57.16 57.54 3hhe n GLU 112 Cb 0.41 -4.94 0.02 0.00 -0.00 0.00 0.00 31.44 26.93 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 -2.20 -4.83 -2.30 3.44 1.56 -0.44 -4.74 117.12 107.60 3hhe n MET 113 Ca -0.11 0.60 -0.41 0.00 -0.27 0.00 0.00 57.70 57.51 3hhe n MET 113 Cb 0.46 -5.44 -0.03 0.00 2.15 0.00 0.00 33.22 30.36 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 -3.18 3.29 0.20 1.12 2.01 -0.81 -4.48 115.64 113.80 3hhe s THR 114 Ca 0.55 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.76 3hhe s THR 114 Cb -0.28 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3hhe s THR 114 CO 0.68 0.21 0.13 -0.76 -0.69 0.00 0.00 174.62 174.19 3hhe s LEU 115 N -0.66 3.72 -0.15 4.42 1.43 -0.31 -1.32 118.68 125.82 3hhe s LEU 115 Ca 0.52 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3hhe s LEU 115 Cb -0.35 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 3hhe s LEU 115 CO 0.41 0.04 -0.12 -0.63 0.23 0.00 0.00 176.35 176.27 3hhe s ILE 116 N -1.89 3.04 0.16 -0.59 1.01 -0.70 -1.36 121.20 120.87 3hhe s ILE 116 Ca 0.31 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3hhe s ILE 116 Cb -0.09 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3hhe s ILE 116 CO 0.23 0.51 0.01 -0.54 0.00 0.00 0.00 174.94 175.15 3hhe s LYS 117 N 0.56 1.06 0.00 2.79 1.02 0.17 -0.89 119.74 124.46 3hhe s LYS 117 Ca -0.08 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.40 3hhe s LYS 117 Cb -0.16 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 3hhe s LYS 117 CO 0.03 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 3hhe n GLY 118 N -0.21 1.28 0.34 -3.33 0.00 -1.26 -4.15 105.19 97.86 3hhe n GLY 118 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 0.91 0.41 -0.02 0.00 -1.92 -1.99 103.07 100.45 3hhe h GLY 119 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hhe h GLY 119 CO 0.00 0.33 -0.05 0.61 0.00 0.00 0.00 176.54 177.43 3hhe n GLY 120 N -1.44 -0.60 0.77 4.60 0.00 -1.26 -4.93 105.19 102.33 3hhe n GLY 120 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.17 0.72 1.46 -0.02 0.00 -0.75 -4.98 105.19 102.79 3hhe n GLY 121 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.12 3.50 -0.31 4.61 0.00 -1.26 -4.76 120.51 121.16 3hhe n ALA 122 Ca 0.00 -2.10 0.07 0.00 0.00 0.00 0.00 53.44 51.41 3hhe n ALA 122 Cb 0.00 -0.95 0.23 0.00 0.00 0.00 0.00 19.45 18.73 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 3.04 0.62 0.41 0.00 8.10 -1.89 -1.77 115.31 123.83 3hhe h LEU 123 Ca 0.00 0.08 -0.02 0.00 0.11 0.00 0.00 57.88 58.05 3hhe h LEU 123 Cb 1.75 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.95 3hhe h LEU 123 CO 0.38 0.28 -0.20 0.25 -4.11 0.00 0.00 178.44 175.04 3hhe h LEU 124 N 0.71 -0.47 -1.23 0.17 5.85 -1.94 0.10 115.31 118.51 3hhe h LEU 124 Ca 0.47 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.10 3hhe h LEU 124 Cb 0.61 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3hhe h LEU 124 CO -0.33 -0.14 0.53 0.45 -0.34 0.00 0.00 178.44 178.60 3hhe h HIS 125 N -0.81 0.98 -0.74 1.25 3.86 -1.81 -0.47 115.15 117.40 3hhe h HIS 125 Ca -0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3hhe h HIS 125 Cb 0.54 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 3hhe h HIS 125 CO 0.01 0.60 0.43 0.93 0.86 0.00 0.00 177.93 180.76 3hhe h GLU 126 N 1.04 1.00 0.22 2.45 5.08 -0.97 -1.25 114.58 122.15 3hhe h GLU 126 Ca 0.30 -0.09 -0.33 0.00 -1.00 0.00 0.00 59.36 58.24 3hhe h GLU 126 Cb -0.05 -0.21 0.03 0.00 0.50 0.00 0.00 28.75 29.01 3hhe h GLU 126 CO -0.08 0.71 -1.50 -0.22 -1.00 0.00 0.00 179.01 176.93 3hhe h LYS 127 N 1.02 0.46 0.03 2.33 3.64 -0.10 -0.26 116.57 123.69 3hhe h LYS 127 Ca 0.26 -0.79 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3hhe h LYS 127 Cb -0.02 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3hhe h LYS 127 CO -0.05 1.37 -0.11 0.82 -2.27 0.00 0.00 179.45 179.21 3hhe h ILE 128 N 0.13 0.73 0.07 2.00 2.04 -1.11 -0.28 117.51 121.08 3hhe h ILE 128 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3hhe h ILE 128 Cb 2.12 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3hhe h ILE 128 CO 0.24 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.89 3hhe h VAL 129 N -0.21 0.81 -0.57 1.67 2.07 -1.23 -1.29 116.25 117.50 3hhe h VAL 129 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 3hhe h VAL 129 Cb 0.24 0.81 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 3hhe h VAL 129 CO -0.09 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.41 3hhe h ALA 130 N 0.74 0.45 -0.17 1.67 0.00 -1.00 -1.08 119.26 119.87 3hhe h ALA 130 Ca 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hhe h ALA 130 Cb 0.18 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hhe h ALA 130 CO -0.03 -0.42 0.08 0.77 0.00 0.00 0.00 179.25 179.65 3hhe h SER 131 N 0.04 0.20 -0.08 0.00 0.02 -0.65 -2.29 113.55 110.79 3hhe h SER 131 Ca 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3hhe h SER 131 Cb 0.45 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3hhe h SER 131 CO -0.55 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.31 3hhe n ALA 132 N -2.51 2.57 -2.76 3.77 0.00 -0.44 -4.92 120.51 116.22 3hhe n ALA 132 Ca -0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 53.44 52.79 3hhe n ALA 132 Cb 0.10 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.71 5.29 0.24 0.00 0.01 -0.86 -0.10 113.70 116.57 3hhe s SER 133 Ca 0.34 -0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.44 3hhe s SER 133 Cb 0.18 -1.30 0.25 0.00 0.21 0.00 0.00 66.02 65.36 3hhe s SER 133 CO 0.28 0.05 1.55 0.03 0.41 0.00 0.00 173.24 175.56 3hhe h ARG 134 N 2.27 0.05 -3.01 12.44 3.08 -0.87 -3.46 114.38 124.88 3hhe h ARG 134 Ca -0.47 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.41 3hhe h ARG 134 Cb 1.21 0.01 -0.21 0.00 0.08 0.00 0.00 29.97 31.06 3hhe h ARG 134 CO 0.61 0.71 -0.29 0.00 -1.07 0.00 0.00 179.97 179.93 3hhe s ALA 135 N -3.51 -0.79 -0.12 0.04 0.00 -1.17 -5.03 121.76 111.18 3hhe s ALA 135 Ca -0.02 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3hhe s ALA 135 Cb 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3hhe s ALA 135 CO 0.78 -0.23 -0.17 1.41 0.00 0.00 0.00 175.76 177.55 3hhe s MET 136 N -0.92 2.48 -0.24 0.00 1.75 -1.26 -1.40 119.30 119.71 3hhe s MET 136 Ca -0.10 -0.65 -0.09 0.00 -1.25 0.00 0.00 55.69 53.60 3hhe s MET 136 Cb -0.04 -2.09 -0.04 0.00 2.84 0.00 0.00 34.83 35.49 3hhe s MET 136 CO 0.03 -0.08 0.12 -0.06 -0.65 0.00 0.00 175.02 174.39 3hhe s PHE 137 N 1.01 3.23 -0.12 4.11 0.40 0.88 -0.92 117.98 126.57 3hhe s PHE 137 Ca -0.05 0.03 -0.18 0.00 -0.60 0.00 0.00 56.93 56.13 3hhe s PHE 137 Cb -0.15 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 3hhe s PHE 137 CO -0.03 -0.05 0.46 0.08 0.70 0.00 0.00 175.22 176.38 3hhe s VAL 138 N 1.14 5.20 -0.18 -0.44 1.01 0.84 -1.75 120.40 126.21 3hhe s VAL 138 Ca 0.06 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 3hhe s VAL 138 Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3hhe s VAL 138 CO 0.05 0.33 0.04 0.27 0.00 0.00 0.00 175.10 175.78 3hhe s ILE 139 N 0.61 4.52 -0.00 2.22 -4.36 0.32 0.37 121.20 124.87 3hhe s ILE 139 Ca 0.25 -0.13 -0.19 0.00 -0.26 0.00 0.00 60.65 60.32 3hhe s ILE 139 Cb -0.15 -3.03 0.04 0.00 1.25 0.00 0.00 42.46 40.57 3hhe s ILE 139 CO 0.10 0.46 0.42 0.00 0.24 0.00 0.00 174.94 176.16 3hhe s ALA 140 N 0.48 -1.06 0.61 2.27 0.00 -0.16 -4.28 121.76 119.61 3hhe s ALA 140 Ca 0.01 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 3hhe s ALA 140 Cb -0.13 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3hhe s ALA 140 CO 0.01 -0.35 0.97 0.16 0.00 0.00 0.00 175.76 176.55 3hhe s ASP 141 N -1.54 5.83 0.49 0.00 1.47 -1.26 -0.98 116.67 120.69 3hhe s ASP 141 Ca -0.10 1.06 0.30 0.00 1.18 0.00 0.00 52.55 54.98 3hhe s ASP 141 Cb -0.03 -2.06 1.39 0.00 -0.34 0.00 0.00 42.92 41.89 3hhe s ASP 141 CO 0.03 -1.01 1.81 -0.08 0.68 0.00 0.00 175.17 176.60 3hhe h GLU 142 N -0.28 0.13 0.00 2.11 4.81 -1.32 -2.75 114.58 117.27 3hhe h GLU 142 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hhe h GLU 142 Cb 1.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3hhe h GLU 142 CO 0.62 0.08 0.00 1.79 -0.73 0.00 0.00 179.01 180.77 3hhe h THR 143 N 0.13 0.00 0.00 0.32 1.35 -1.94 -2.99 112.91 109.78 3hhe h THR 143 Ca 0.55 -0.34 -0.09 0.00 -0.55 0.00 0.00 66.41 65.98 3hhe h THR 143 Cb 1.93 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 3hhe h THR 143 CO -0.10 0.00 -0.51 0.11 -0.25 0.00 0.00 175.52 174.77 3hhe h LYS 144 N 0.00 0.00 -6.21 4.72 1.79 -1.79 -3.44 116.57 111.64 3hhe h LYS 144 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3hhe h LYS 144 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 3hhe h LYS 144 CO 0.00 0.39 0.98 -1.64 -1.08 0.00 0.00 179.45 178.10 3hhe s MET 145 N -3.01 4.21 0.10 3.15 -1.94 -1.13 -0.66 119.30 120.02 3hhe s MET 145 Ca 0.04 1.92 0.08 0.00 -1.71 0.00 0.00 55.69 56.01 3hhe s MET 145 Cb 0.07 -3.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 3hhe s MET 145 CO 0.74 -0.76 -0.19 0.14 -0.01 0.00 0.00 175.02 174.93 3hhe s VAL 146 N 3.68 1.61 0.14 -6.03 -7.23 0.09 -4.94 120.40 107.72 3hhe s VAL 146 Ca 0.64 -1.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 3hhe s VAL 146 Cb -0.27 -1.50 -0.18 0.00 0.56 0.00 0.00 36.38 34.99 3hhe s VAL 146 CO 0.22 -0.12 1.33 0.07 -0.31 0.00 0.00 175.10 176.29 3hhe h LYS 147 N 4.03 0.05 -3.83 4.82 -0.00 -1.95 -3.38 116.57 116.30 3hhe h LYS 147 Ca -0.45 -0.07 -0.32 0.00 -0.00 0.00 0.00 60.65 59.82 3hhe h LYS 147 Cb 1.18 0.02 -0.32 0.00 -0.00 0.00 0.00 32.23 33.12 3hhe h LYS 147 CO 0.41 0.95 -0.74 0.99 -0.00 0.00 0.00 179.45 181.06 3hhe s THR 148 N -2.90 0.19 0.65 0.07 2.01 -1.26 -4.54 115.64 109.85 3hhe s THR 148 Ca -0.00 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 3hhe s THR 148 Cb 0.10 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.37 3hhe s THR 148 CO 0.82 0.11 1.08 -0.76 -0.69 0.00 0.00 174.62 175.18 3hhe s LEU 149 N 0.64 3.35 0.00 4.42 1.43 -1.26 -4.63 118.68 122.62 3hhe s LEU 149 Ca -0.06 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3hhe s LEU 149 Cb -0.09 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.60 3hhe s LEU 149 CO -0.01 -1.45 0.00 0.61 0.23 0.00 0.00 176.35 175.73 3hhe n GLY 150 N -1.04 1.87 0.34 -3.19 0.00 -1.26 -1.13 105.19 100.77 3hhe n GLY 150 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 1.61 -2.62 4.61 0.00 -1.74 -2.59 119.26 118.52 3hhe h ALA 151 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 3hhe h ALA 151 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3hhe h ALA 151 CO 0.00 0.33 0.21 0.12 0.00 0.00 0.00 179.25 179.91 3hhe s PHE 152 N -5.71 3.72 0.21 0.00 5.36 -1.26 -4.66 117.98 115.64 3hhe s PHE 152 Ca -0.10 1.53 -0.32 0.00 -0.96 0.00 0.00 56.93 57.08 3hhe s PHE 152 Cb 0.18 -2.89 -0.11 0.00 -0.34 0.00 0.00 43.02 39.86 3hhe s PHE 152 CO 0.77 0.21 1.66 0.00 -1.46 0.00 0.00 175.22 176.40 3hhe s ALA 153 N 0.17 3.87 -0.08 11.12 0.00 -1.26 -4.85 121.76 130.72 3hhe s ALA 153 Ca 0.41 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 3hhe s ALA 153 Cb -0.21 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 3hhe s ALA 153 CO 0.24 -0.89 1.18 -1.17 0.00 0.00 0.00 175.76 175.13 3hhe s LEU 154 N 0.95 4.26 0.33 0.00 2.96 -0.39 -4.71 118.68 122.09 3hhe s LEU 154 Ca 0.72 1.75 -0.23 0.00 -0.22 0.00 0.00 54.13 56.16 3hhe s LEU 154 Cb -0.48 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.56 3hhe s LEU 154 CO 0.34 -0.60 0.89 -2.84 -1.32 0.00 0.00 176.35 172.82 3hhe s PRO 155 N 2.41 4.39 -0.13 0.98 0.02 -1.26 -1.29 135.00 140.11 3hhe s PRO 155 Ca 0.54 1.14 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 3hhe s PRO 155 Cb -0.23 -2.62 0.04 0.00 0.02 0.00 0.00 34.50 31.71 3hhe s PRO 155 CO 0.20 0.21 0.01 0.42 -0.33 0.00 0.00 177.00 177.51 3hhe s ILE 156 N -1.78 0.52 -0.10 2.83 1.01 0.12 -1.08 121.20 122.71 3hhe s ILE 156 Ca 0.52 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 3hhe s ILE 156 Cb -0.15 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 3hhe s ILE 156 CO 0.20 0.05 0.93 -0.70 0.00 0.00 0.00 174.94 175.43 3hhe s GLU 157 N 1.89 4.41 0.15 2.79 2.12 0.60 -0.21 118.70 130.46 3hhe s GLU 157 Ca 0.02 1.26 0.06 0.00 0.36 0.00 0.00 54.97 56.67 3hhe s GLU 157 Cb -0.15 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3hhe s GLU 157 CO -0.07 -0.25 -0.13 0.14 -0.54 0.00 0.00 175.26 174.42 3hhe s VAL 158 N 1.79 1.37 0.22 3.70 -7.23 -0.47 -0.17 120.40 119.61 3hhe s VAL 158 Ca 0.46 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 3hhe s VAL 158 Cb -0.18 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 3hhe s VAL 158 CO 0.18 -0.59 1.04 0.20 -0.31 0.00 0.00 175.10 175.63 3hhe s ASN 159 N -2.94 7.39 0.14 4.85 0.01 0.61 -1.85 114.94 123.15 3hhe s ASN 159 Ca 0.15 2.09 -0.18 0.00 -0.71 0.00 0.00 52.86 54.21 3hhe s ASN 159 Cb -0.01 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.05 3hhe s ASN 159 CO 0.03 -0.07 1.75 -0.65 -1.51 0.00 0.00 177.10 176.64 3hhe h PRO 160 N 4.44 0.21 -6.24 -0.60 0.11 -1.91 -3.36 132.00 124.65 3hhe h PRO 160 Ca -0.45 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 3hhe h PRO 160 Cb 1.21 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.29 3hhe h PRO 160 CO 0.69 0.14 0.98 0.34 -0.21 0.00 0.00 178.00 179.94 3hhe n PHE 161 N -5.04 2.19 -1.68 0.65 7.35 -1.26 -2.10 117.46 117.57 3hhe n PHE 161 Ca -0.01 0.24 -0.09 0.00 -0.76 0.00 0.00 57.45 56.83 3hhe n PHE 161 Cb 0.10 -2.57 -0.02 0.00 0.35 0.00 0.00 39.48 37.34 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 4.17 0.59 0.37 7.13 0.00 -1.26 -4.92 105.19 111.27 3hhe n GLY 162 Ca 0.23 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.20 -0.25 -0.61 2.10 -1.57 -0.74 117.51 117.63 3hhe h ILE 163 Ca -0.20 -0.41 0.05 0.00 1.08 0.00 0.00 64.86 65.38 3hhe h ILE 163 Cb 0.85 -0.10 -0.05 0.00 -1.09 0.00 0.00 36.82 36.43 3hhe h ILE 163 CO 0.27 0.22 -0.07 -0.74 -1.08 0.00 0.00 178.15 176.74 3hhe h HIS 164 N 1.20 -0.16 -0.85 2.19 2.76 -1.91 0.30 115.15 118.67 3hhe h HIS 164 Ca 0.35 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 3hhe h HIS 164 Cb -0.07 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3hhe h HIS 164 CO -0.00 -0.12 0.56 0.00 -1.30 0.00 0.00 177.93 177.07 3hhe h ALA 165 N 1.23 1.39 -0.39 5.26 0.00 -1.59 -2.50 119.26 122.66 3hhe h ALA 165 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hhe h ALA 165 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hhe h ALA 165 CO -0.27 0.57 -0.13 1.15 0.00 0.00 0.00 179.25 180.57 3hhe h THR 166 N 1.16 1.28 -0.53 0.00 2.02 -0.52 -1.79 112.91 114.52 3hhe h THR 166 Ca 0.31 -1.23 0.10 0.00 0.77 0.00 0.00 66.41 66.37 3hhe h THR 166 Cb -0.13 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 3hhe h THR 166 CO -0.07 0.41 0.01 -0.09 0.37 0.00 0.00 175.52 176.15 3hhe h ARG 167 N 0.58 0.12 -0.43 6.66 2.43 -0.03 -0.62 114.38 123.09 3hhe h ARG 167 Ca 0.09 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3hhe h ARG 167 Cb 0.66 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 3hhe h ARG 167 CO 0.04 0.08 0.25 0.82 -1.51 0.00 0.00 179.97 179.65 3hhe h ILE 168 N 0.12 1.03 -0.37 1.20 2.04 -1.33 -0.84 117.51 119.36 3hhe h ILE 168 Ca 0.27 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 3hhe h ILE 168 Cb 0.41 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3hhe h ILE 168 CO -0.44 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 177.77 3hhe h ALA 169 N 1.20 1.27 -0.31 1.87 0.00 -0.57 0.09 119.26 122.81 3hhe h ALA 169 Ca 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hhe h ALA 169 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hhe h ALA 169 CO -0.09 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 3hhe h ILE 170 N 0.56 1.26 -1.00 0.00 2.04 -0.91 0.28 117.51 119.74 3hhe h ILE 170 Ca 0.11 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3hhe h ILE 170 Cb 0.40 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3hhe h ILE 170 CO 0.02 0.32 0.64 -0.33 0.00 0.00 0.00 178.15 178.80 3hhe h GLU 171 N 0.34 1.12 -0.32 2.37 5.08 -0.80 -0.01 114.58 122.35 3hhe h GLU 171 Ca 0.08 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3hhe h GLU 171 Cb 0.47 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hhe h GLU 171 CO 0.02 0.74 -0.16 0.87 -1.00 0.00 0.00 179.01 179.48 3hhe h LYS 172 N 1.15 0.67 -0.30 2.33 1.57 -0.76 -2.03 116.57 119.20 3hhe h LYS 172 Ca 0.43 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3hhe h LYS 172 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3hhe h LYS 172 CO -0.18 0.89 0.15 0.00 -0.57 0.00 0.00 179.45 179.74 3hhe h ALA 173 N 0.76 0.39 -0.33 3.86 0.00 -0.51 -2.36 119.26 121.06 3hhe h ALA 173 Ca 0.07 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hhe h ALA 173 Cb 0.69 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3hhe h ALA 173 CO 0.05 -0.06 -0.33 0.00 0.00 0.00 0.00 179.25 178.90 3hhe h ALA 174 N 1.01 -0.25 -0.79 0.00 0.00 -1.03 -2.12 119.26 116.09 3hhe h ALA 174 Ca 0.10 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.24 3hhe h ALA 174 Cb 0.11 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 3hhe h ALA 174 CO -0.01 -0.76 0.33 -0.44 0.00 0.00 0.00 179.25 178.37 3hhe h ASP 175 N -0.30 0.31 0.33 0.00 3.32 -1.19 0.17 116.42 119.06 3hhe h ASP 175 Ca 0.15 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 3hhe h ASP 175 Cb 0.54 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3hhe h ASP 175 CO -0.49 0.10 -0.21 0.78 -1.72 0.00 0.00 179.24 177.69 3hhe h ASN 176 N 0.46 0.00 -0.32 6.45 2.35 -0.87 -2.06 115.58 121.59 3hhe h ASN 176 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3hhe h ASN 176 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3hhe h ASN 176 CO -0.42 0.21 0.00 0.18 -1.65 0.00 0.00 177.43 175.76 3hhe n LEU 177 N -3.97 2.92 -1.68 1.61 4.77 -0.67 -4.97 117.00 115.01 3hhe n LEU 177 Ca -0.02 -1.24 -0.12 0.00 -0.03 0.00 0.00 56.01 54.60 3hhe n LEU 177 Cb 0.30 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3hhe n LEU 177 CO 0.35 0.62 -0.01 0.61 -1.33 0.00 0.00 177.39 177.63 3hhe n GLY 178 N 1.39 0.04 3.79 -0.72 0.00 -0.41 -5.03 105.19 104.25 3hhe n GLY 178 Ca 0.18 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.71 3.95 0.01 0.99 1.43 -0.09 -5.00 118.68 116.25 3hhe s LEU 179 Ca 0.15 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3hhe s LEU 179 Cb -0.07 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 3hhe s LEU 179 CO 0.19 0.30 0.03 -0.44 0.23 0.00 0.00 176.35 176.66 3hhe s SER 180 N -1.58 0.13 0.00 2.29 0.01 -1.26 -3.99 113.70 109.30 3hhe s SER 180 Ca 0.21 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.16 3hhe s SER 180 Cb -0.12 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.24 3hhe s SER 180 CO 0.12 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.11 3hhe n GLY 181 N 1.82 2.75 3.77 3.44 0.00 -1.26 -4.34 105.19 111.37 3hhe n GLY 181 Ca -0.22 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 3hhe n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hhe s GLU 182 N -2.08 4.25 -0.40 1.61 8.01 -1.26 -4.80 118.70 124.04 3hhe s GLU 182 Ca 0.00 2.09 -0.05 0.00 0.01 0.00 0.00 54.97 57.02 3hhe s GLU 182 Cb 0.00 -2.95 0.09 0.00 -4.31 0.00 0.00 34.13 26.96 3hhe s GLU 182 CO 0.00 -0.23 0.19 0.42 0.01 0.00 0.00 175.26 175.65 3hhe s ILE 183 N -1.21 3.56 0.07 -1.63 -1.09 -1.26 -1.48 121.20 118.16 3hhe s ILE 183 Ca 0.51 -1.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.23 3hhe s ILE 183 Cb -0.37 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3hhe s ILE 183 CO 0.48 -0.55 0.03 0.42 -1.23 0.00 0.00 174.94 174.09 3hhe s THR 184 N 1.25 4.23 0.01 2.92 -4.23 -0.62 -4.94 115.64 114.26 3hhe s THR 184 Ca 0.04 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.42 3hhe s THR 184 Cb -0.23 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 3hhe s THR 184 CO -0.02 0.16 0.87 -0.22 -0.54 0.00 0.00 174.62 174.86 3hhe s LEU 185 N -2.24 4.39 0.06 4.79 2.96 -1.26 -0.28 118.68 127.10 3hhe s LEU 185 Ca 0.26 1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 55.39 3hhe s LEU 185 Cb -0.12 -3.38 -0.09 0.00 0.50 0.00 0.00 46.19 43.10 3hhe s LEU 185 CO 0.19 -0.14 1.88 -0.60 -1.32 0.00 0.00 176.35 176.35 3hhe s ARG 186 N 0.59 4.15 0.12 1.98 6.06 0.12 -4.90 118.95 127.07 3hhe s ARG 186 Ca 0.45 2.56 0.06 0.00 -2.50 0.00 0.00 55.73 56.30 3hhe s ARG 186 Cb -0.20 -3.92 -0.04 0.00 0.06 0.00 0.00 34.95 30.84 3hhe s ARG 186 CO 0.25 -0.90 -0.01 -1.64 -2.50 0.00 0.00 175.30 170.50 3hhe s MET 187 N 3.73 2.46 -0.40 5.12 -1.94 -1.26 -0.91 119.30 126.10 3hhe s MET 187 Ca 0.84 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 53.89 3hhe s MET 187 Cb -0.43 -2.46 0.16 0.00 2.01 0.00 0.00 34.83 34.11 3hhe s MET 187 CO 0.38 0.51 0.29 1.21 -0.01 0.00 0.00 175.02 177.40 3hhe s ASN 188 N -2.53 2.30 0.00 3.03 3.84 -0.76 -4.60 114.94 116.22 3hhe s ASN 188 Ca 0.26 -2.71 0.00 0.00 0.21 0.00 0.00 52.86 50.62 3hhe s ASN 188 Cb -0.11 -0.50 0.00 0.00 -0.55 0.00 0.00 41.25 40.10 3hhe s ASN 188 CO 0.18 -0.23 0.00 0.61 -2.79 0.00 0.00 177.10 174.87 3hhe n GLY 189 N 3.34 0.71 2.46 1.21 0.00 -1.26 -3.64 105.19 108.01 3hhe n GLY 189 Ca 0.21 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 3hhe n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hhe n ASP 190 N 1.12 6.83 -3.93 1.61 -0.08 -1.26 -4.94 116.55 115.90 3hhe n ASP 190 Ca 0.00 -3.79 -0.21 0.00 -1.51 0.00 0.00 54.79 49.29 3hhe n ASP 190 Cb 0.00 -0.83 -0.16 0.00 2.34 0.00 0.00 41.12 42.47 3hhe n ASP 190 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3hhe s ASP 191 N -2.13 1.09 0.37 1.67 1.01 -1.24 -5.12 116.67 112.32 3hhe s ASP 191 Ca 0.57 -0.16 -0.27 0.00 0.71 0.00 0.00 52.55 53.40 3hhe s ASP 191 Cb 0.46 -0.49 -0.11 0.00 1.01 0.00 0.00 42.92 43.79 3hhe s ASP 191 CO -0.14 -0.02 1.30 -2.65 0.21 0.00 0.00 175.17 173.87 3hhe n PRO 192 N 3.88 2.11 -2.00 8.23 -0.02 -1.26 -1.82 135.00 144.12 3hhe n PRO 192 Ca -0.24 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3hhe n PRO 192 Cb 0.51 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3hhe n PRO 192 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3hhe s PHE 193 N -1.13 2.21 -0.27 6.00 5.36 -0.08 -4.66 117.98 125.40 3hhe s PHE 193 Ca 0.57 0.29 -0.10 0.00 -0.96 0.00 0.00 56.93 56.73 3hhe s PHE 193 Cb -0.54 -3.91 -0.05 0.00 -0.34 0.00 0.00 43.02 38.18 3hhe s PHE 193 CO 0.61 -3.73 0.17 0.21 -1.46 0.00 0.00 175.22 171.02 3hhe s LYS 194 N 3.39 3.94 1.01 10.12 2.20 -1.26 -4.30 119.74 134.83 3hhe s LYS 194 Ca 0.73 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.88 3hhe s LYS 194 Cb -0.35 -3.60 0.19 0.00 -1.51 0.00 0.00 37.83 32.56 3hhe s LYS 194 CO 0.30 -0.14 1.09 0.95 -0.36 0.00 0.00 175.35 177.19 3hhe s THR 195 N 1.61 2.14 0.50 3.43 -4.23 0.47 -4.86 115.64 114.71 3hhe s THR 195 Ca 0.07 0.05 0.18 0.00 -1.18 0.00 0.00 61.69 60.80 3hhe s THR 195 Cb -0.15 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.52 3hhe s THR 195 CO 0.09 -0.06 2.08 0.44 -0.54 0.00 0.00 174.62 176.63 3hhe h ASP 196 N -1.95 0.08 0.38 3.99 3.32 -1.89 -1.16 116.42 119.19 3hhe h ASP 196 Ca -0.55 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 3hhe h ASP 196 Cb 1.32 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3hhe h ASP 196 CO 0.56 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 3hhe n GLY 197 N -1.56 -0.94 1.91 2.75 0.00 -1.26 -4.88 105.19 101.21 3hhe n GLY 197 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.40 0.47 3.67 -0.02 0.00 -0.44 -5.08 105.19 104.19 3hhe n GLY 198 Ca 0.09 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.28 2.44 0.54 1.61 3.76 -1.25 -4.72 115.29 115.38 3hhe s HIS 199 Ca 0.01 -0.69 0.08 0.00 -0.15 0.00 0.00 55.06 54.31 3hhe s HIS 199 Cb -0.00 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.93 3hhe s HIS 199 CO 0.01 0.33 0.61 -0.06 -0.85 0.00 0.00 174.74 174.78 3hhe s PHE 200 N -2.70 1.72 -0.02 1.40 0.08 -0.77 -0.39 117.98 117.29 3hhe s PHE 200 Ca 0.33 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3hhe s PHE 200 Cb 0.07 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 3hhe s PHE 200 CO 0.17 -0.78 -0.01 0.42 -0.10 0.00 0.00 175.22 174.93 3hhe s ILE 201 N -2.65 0.18 -0.15 0.64 1.01 -1.26 -1.37 121.20 117.60 3hhe s ILE 201 Ca 0.51 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 61.10 3hhe s ILE 201 Cb -0.05 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 3hhe s ILE 201 CO 0.32 0.12 0.20 -0.36 0.00 0.00 0.00 174.94 175.22 3hhe s PHE 202 N 0.75 3.51 -0.25 3.97 0.08 0.71 0.12 117.98 126.86 3hhe s PHE 202 Ca -0.07 0.52 -0.11 0.00 0.12 0.00 0.00 56.93 57.39 3hhe s PHE 202 Cb -0.11 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3hhe s PHE 202 CO -0.01 0.46 0.19 -0.51 -0.10 0.00 0.00 175.22 175.24 3hhe s ASP 203 N -0.20 6.10 -0.38 1.36 1.01 0.61 0.11 116.67 125.30 3hhe s ASP 203 Ca 0.14 0.09 -0.12 0.00 0.71 0.00 0.00 52.55 53.37 3hhe s ASP 203 Cb -0.12 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.71 3hhe s ASP 203 CO 0.03 0.01 0.23 0.00 0.21 0.00 0.00 175.17 175.64 3hhe s ALA 204 N 1.36 3.35 -1.35 5.23 0.00 -0.41 -1.59 121.76 128.36 3hhe s ALA 204 Ca 0.08 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.30 3hhe s ALA 204 Cb -0.15 -2.66 0.11 0.00 0.00 0.00 0.00 23.12 20.43 3hhe s ALA 204 CO 0.07 -1.33 2.21 1.19 0.00 0.00 0.00 175.76 177.91 3hhe n PHE 205 N 5.05 2.79 0.89 0.00 3.72 -0.55 -1.26 117.46 128.10 3hhe n PHE 205 Ca -0.12 -2.84 0.13 0.00 -0.05 0.00 0.00 57.45 54.57 3hhe n PHE 205 Cb 0.47 -2.00 0.47 0.00 -0.94 0.00 0.00 39.48 37.48 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 3.15 0.24 0.00 1.38 8.01 -1.26 -4.15 117.44 124.80 3hhe n TRP 206 Ca 0.53 0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.79 3hhe n TRP 206 Cb 0.31 -0.56 0.00 0.00 -2.01 0.00 0.00 31.31 29.05 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 1.45 1.42 3.63 6.99 0.00 -0.98 -4.57 105.19 113.12 3hhe n GLY 207 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.67 -0.37 1.61 3.52 -1.24 -2.42 118.95 120.72 3hhe s ARG 208 Ca 0.00 1.27 0.01 0.00 -0.13 0.00 0.00 55.73 56.88 3hhe s ARG 208 Cb 0.00 0.31 0.12 0.00 -1.56 0.00 0.00 34.95 33.82 3hhe s ARG 208 CO 0.00 -0.16 0.16 0.42 -0.81 0.00 0.00 175.30 174.91 3hhe s ILE 209 N 1.93 1.12 -0.12 4.11 1.01 -0.29 -4.92 121.20 124.04 3hhe s ILE 209 Ca -0.09 -1.95 0.16 0.00 0.00 0.00 0.00 60.65 58.76 3hhe s ILE 209 Cb -0.07 -1.81 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 3hhe s ILE 209 CO -0.20 -0.79 1.01 -0.07 0.00 0.00 0.00 174.94 174.89 3hhe h LEU 210 N 7.42 0.00 -6.65 2.97 3.38 -1.97 -3.38 115.31 117.07 3hhe h LEU 210 Ca -0.07 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.27 3hhe h LEU 210 Cb 0.97 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.32 3hhe h LEU 210 CO 0.47 0.58 -0.41 0.00 0.09 0.00 0.00 178.44 179.16 3hhe n GLN 211 N -3.00 2.50 -0.05 1.13 1.13 -1.26 -4.95 117.38 112.89 3hhe n GLN 211 Ca -0.06 -4.59 -0.06 0.00 -1.94 0.00 0.00 57.00 50.34 3hhe n GLN 211 Cb 0.82 -2.31 0.13 0.00 0.11 0.00 0.00 30.24 28.98 3hhe n GLN 211 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3hhe h PRO 212 N 4.86 0.66 -0.38 -1.09 0.11 -2.00 -2.18 132.00 131.98 3hhe h PRO 212 Ca 0.18 -0.27 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 3hhe h PRO 212 Cb 0.70 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3hhe h PRO 212 CO 0.85 0.85 0.06 0.87 -0.21 0.00 0.00 178.00 180.41 3hhe h LYS 213 N 0.58 0.64 -0.70 1.05 6.56 -1.97 -0.28 116.57 122.44 3hhe h LYS 213 Ca 0.08 -0.17 -0.07 0.00 -1.06 0.00 0.00 60.65 59.42 3hhe h LYS 213 Cb 0.73 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.29 3hhe h LYS 213 CO 0.06 0.70 0.16 -0.07 -2.06 0.00 0.00 179.45 178.23 3hhe h LEU 214 N 0.48 1.07 -0.59 2.94 3.38 -1.97 -1.36 115.31 119.25 3hhe h LEU 214 Ca 0.12 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3hhe h LEU 214 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hhe h LEU 214 CO 0.01 1.03 -0.29 0.25 0.09 0.00 0.00 178.44 179.53 3hhe h LEU 215 N 1.06 0.84 0.46 1.67 5.85 -1.26 -1.23 115.31 122.70 3hhe h LEU 215 Ca 0.22 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hhe h LEU 215 Cb 0.39 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hhe h LEU 215 CO 0.00 1.07 -0.23 -1.28 -0.34 0.00 0.00 178.44 177.67 3hhe h SER 216 N 0.69 -0.55 -0.62 1.25 0.87 -0.81 -1.59 113.55 112.79 3hhe h SER 216 Ca 0.08 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.79 3hhe h SER 216 Cb 0.83 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 62.83 3hhe h SER 216 CO 0.07 -0.38 -0.01 -0.33 -0.53 0.00 0.00 176.83 175.64 3hhe h GLU 217 N -0.63 0.10 -0.46 2.24 5.08 -1.20 -2.12 114.58 117.60 3hhe h GLU 217 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3hhe h GLU 217 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3hhe h GLU 217 CO 0.09 0.07 0.21 0.00 -1.00 0.00 0.00 179.01 178.38 3hhe h ALA 218 N 1.57 0.59 -0.23 3.43 0.00 -1.11 -2.49 119.26 121.03 3hhe h ALA 218 Ca 0.32 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3hhe h ALA 218 Cb 0.52 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hhe h ALA 218 CO -0.54 0.17 -0.37 -0.07 0.00 0.00 0.00 179.25 178.44 3hhe h LEU 219 N 0.60 0.73 -1.58 0.00 3.38 -1.08 -2.99 115.31 114.36 3hhe h LEU 219 Ca 0.16 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3hhe h LEU 219 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hhe h LEU 219 CO -0.02 1.11 -0.19 -0.07 0.09 0.00 0.00 178.44 179.36 3hhe h LEU 220 N 0.37 0.02 -1.94 1.67 3.38 -1.39 -2.24 115.31 115.19 3hhe h LEU 220 Ca 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hhe h LEU 220 Cb 0.96 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3hhe h LEU 220 CO 0.08 0.22 -0.02 0.00 0.09 0.00 0.00 178.44 178.81 3hhe h ALA 221 N 1.79 1.03 -2.13 1.53 0.00 -1.29 -3.43 119.26 116.75 3hhe h ALA 221 Ca 0.00 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 3hhe h ALA 221 Cb 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hhe h ALA 221 CO 0.03 0.03 0.86 0.42 0.00 0.00 0.00 179.25 180.58 3hhe s ILE 222 N -3.86 4.43 0.39 0.00 1.01 -0.84 -4.93 121.20 117.41 3hhe s ILE 222 Ca -0.01 1.73 0.15 0.00 0.00 0.00 0.00 60.65 62.52 3hhe s ILE 222 Cb 0.11 -4.12 0.36 0.00 0.01 0.00 0.00 42.46 38.82 3hhe s ILE 222 CO 0.51 -0.15 1.83 -0.65 0.00 0.00 0.00 174.94 176.49 3hhe h PRO 223 N 7.90 0.49 0.00 2.79 0.11 -1.87 -0.55 132.00 140.86 3hhe h PRO 223 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hhe h PRO 223 Cb 1.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hhe h PRO 223 CO 0.97 0.33 -0.45 0.41 -0.21 0.00 0.00 178.00 179.04 3hhe n GLY 224 N -1.47 -1.38 3.62 -0.55 0.00 -1.26 -4.76 105.19 99.39 3hhe n GLY 224 Ca 0.21 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.08 4.13 -0.05 1.61 1.01 -0.22 -0.29 120.40 123.52 3hhe s VAL 225 Ca 0.09 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 63.06 3hhe s VAL 225 Cb 0.16 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 32.05 3hhe s VAL 225 CO 0.68 -0.63 1.09 0.58 0.00 0.00 0.00 175.10 176.83 3hhe h VAL 226 N 6.10 1.52 -2.32 2.92 2.07 -0.86 -3.46 116.25 122.22 3hhe h VAL 226 Ca -0.25 -1.67 0.19 0.00 0.82 0.00 0.00 66.70 65.79 3hhe h VAL 226 Cb 1.09 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 33.38 3hhe h VAL 226 CO 1.06 0.45 0.57 -1.61 0.02 0.00 0.00 177.57 178.06 3hhe s GLU 227 N -3.48 1.15 0.21 1.57 0.41 -1.09 -5.02 118.70 112.45 3hhe s GLU 227 Ca -0.16 -0.69 -0.07 0.00 -0.41 0.00 0.00 54.97 53.63 3hhe s GLU 227 Cb 0.01 0.35 -0.02 0.00 -1.78 0.00 0.00 34.13 32.69 3hhe s GLU 227 CO 0.71 -0.53 0.30 -3.38 -0.49 0.00 0.00 175.26 171.86 3hhe s HIS 228 N -2.67 0.65 -2.00 1.61 -3.43 -1.26 -0.29 115.29 107.89 3hhe s HIS 228 Ca 0.17 -0.97 0.08 0.00 -0.80 0.00 0.00 55.06 53.54 3hhe s HIS 228 Cb -0.01 -0.14 0.45 0.00 -1.43 0.00 0.00 32.58 31.45 3hhe s HIS 228 CO 0.03 -0.79 1.29 0.41 -2.00 0.00 0.00 174.74 173.68 3hhe n GLY 229 N -0.29 -0.99 3.55 -1.38 0.00 -0.24 -4.76 105.19 101.07 3hhe n GLY 229 Ca -0.02 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.24 4.27 -0.47 0.99 1.43 -1.26 0.43 118.68 122.82 3hhe s LEU 230 Ca 0.11 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3hhe s LEU 230 Cb 0.05 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.44 3hhe s LEU 230 CO 0.09 -0.81 0.39 -0.36 0.23 0.00 0.00 176.35 175.89 3hhe s PHE 231 N 3.09 3.26 -0.23 0.29 0.40 -0.47 -4.94 117.98 119.39 3hhe s PHE 231 Ca 0.28 -1.07 -0.08 0.00 -0.60 0.00 0.00 56.93 55.46 3hhe s PHE 231 Cb -0.13 -3.22 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 3hhe s PHE 231 CO 0.20 -0.83 0.10 -0.51 0.70 0.00 0.00 175.22 174.87 3hhe s LEU 232 N 1.60 3.73 -1.44 -0.37 1.02 -1.26 -1.17 118.68 120.79 3hhe s LEU 232 Ca 0.04 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.10 3hhe s LEU 232 Cb -0.25 -1.99 0.02 0.00 0.02 0.00 0.00 46.19 44.00 3hhe s LEU 232 CO 0.05 0.04 0.37 0.61 0.02 0.00 0.00 176.35 177.45 3hhe n GLY 233 N 4.43 -0.51 0.12 -3.19 0.00 -1.26 -4.87 105.19 99.91 3hhe n GLY 233 Ca -0.16 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.58 2.84 -4.73 0.99 4.77 -1.26 -4.97 117.00 111.06 3hhe n LEU 234 Ca -0.12 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 3hhe n LEU 234 Cb 0.61 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3hhe n LEU 234 CO 0.40 0.79 0.86 0.00 -1.33 0.00 0.00 177.39 178.11 3hhe s ALA 235 N -2.39 3.41 -0.03 -1.18 0.00 -1.26 -4.23 121.76 116.08 3hhe s ALA 235 Ca -0.26 0.89 0.07 0.00 0.00 0.00 0.00 51.96 52.66 3hhe s ALA 235 Cb 0.07 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 3hhe s ALA 235 CO 0.44 -0.35 0.11 -1.13 0.00 0.00 0.00 175.76 174.84 3hhe n SER 236 N 2.79 3.26 -3.85 0.00 3.41 -0.09 -4.80 113.62 114.33 3hhe n SER 236 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 3hhe n SER 236 Cb 0.45 1.10 -0.12 0.00 -0.26 0.00 0.00 64.21 65.38 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 -2.39 0.20 -0.15 4.33 3.00 -1.06 -4.22 118.95 118.65 3hhe s ARG 237 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 55.73 55.71 3hhe s ARG 237 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 34.95 35.07 3hhe s ARG 237 CO 0.31 -0.03 -0.11 0.00 0.00 0.00 0.00 175.30 175.46 3hhe s ALA 238 N -0.26 2.65 -0.37 2.13 0.00 -0.08 -0.11 121.76 125.71 3hhe s ALA 238 Ca -0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 3hhe s ALA 238 Cb -0.02 -1.33 0.06 0.00 0.00 0.00 0.00 23.12 21.83 3hhe s ALA 238 CO 0.00 0.05 0.17 0.42 0.00 0.00 0.00 175.76 176.40 3hhe s ILE 239 N 0.68 3.89 -0.19 0.00 1.01 0.16 -0.39 121.20 126.37 3hhe s ILE 239 Ca -0.06 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.28 3hhe s ILE 239 Cb -0.15 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.04 3hhe s ILE 239 CO 0.02 -0.35 -0.14 -0.69 0.00 0.00 0.00 174.94 173.78 3hhe s VAL 240 N 1.38 1.79 -0.19 2.92 1.01 -0.26 -0.99 120.40 126.07 3hhe s VAL 240 Ca 0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3hhe s VAL 240 Cb -0.21 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3hhe s VAL 240 CO 0.02 0.34 0.68 0.00 0.00 0.00 0.00 175.10 176.13 3hhe s ALA 241 N 1.36 3.54 0.20 5.51 0.00 -0.15 -1.71 121.76 130.51 3hhe s ALA 241 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3hhe s ALA 241 Cb -0.15 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3hhe s ALA 241 CO -0.10 -0.57 0.38 -1.64 0.00 0.00 0.00 175.76 173.83 3hhe s MET 242 N 1.95 3.50 0.54 0.00 -1.94 -0.40 -0.83 119.30 122.12 3hhe s MET 242 Ca 0.31 -0.41 0.24 0.00 -1.71 0.00 0.00 55.69 54.12 3hhe s MET 242 Cb -0.16 -2.85 1.52 0.00 2.01 0.00 0.00 34.83 35.35 3hhe s MET 242 CO 0.11 0.41 2.16 0.00 -0.01 0.00 0.00 175.02 177.68 3hhe h ALA 243 N 1.89 1.59 -0.05 3.03 0.00 -1.97 -0.40 119.26 123.35 3hhe h ALA 243 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hhe h ALA 243 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hhe h ALA 243 CO 0.67 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 3hhe n ASP 244 N -4.00 0.63 0.00 0.00 5.68 -1.26 -4.90 116.55 112.70 3hhe n ASP 244 Ca -0.03 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 3hhe n ASP 244 Cb 0.14 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.22 0.00 -4.77 -1.12 7.64 -0.16 -5.02 113.62 109.98 3hhe n SER 245 Ca 0.02 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 3hhe n SER 245 Cb 0.14 -0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.03 4.14 -0.27 1.43 0.74 -1.26 -4.80 119.66 119.62 3hhe s GLN 246 Ca 0.00 2.33 0.01 0.00 0.05 0.00 0.00 55.36 57.74 3hhe s GLN 246 Cb 0.00 -2.94 0.05 0.00 1.10 0.00 0.00 33.01 31.22 3hhe s GLN 246 CO 0.00 -0.41 -0.07 0.42 -0.55 0.00 0.00 175.29 174.68 3hhe s ILE 247 N -1.17 2.53 -0.18 -2.34 1.01 -1.26 -1.28 121.20 118.51 3hhe s ILE 247 Ca 0.53 -1.45 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 3hhe s ILE 247 Cb -0.42 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3hhe s ILE 247 CO 0.55 -0.01 0.29 -0.54 0.00 0.00 0.00 174.94 175.24 3hhe s LYS 248 N 1.19 4.23 -0.39 2.79 1.02 -0.70 -4.90 119.74 122.97 3hhe s LYS 248 Ca -0.06 0.07 -0.14 0.00 0.02 0.00 0.00 55.97 55.86 3hhe s LYS 248 Cb -0.19 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.68 3hhe s LYS 248 CO -0.04 0.18 0.27 0.08 -0.92 0.00 0.00 175.35 174.92 3hhe s VAL 249 N 0.65 5.11 0.17 3.17 1.01 -1.26 -1.10 120.40 128.15 3hhe s VAL 249 Ca 0.16 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.59 3hhe s VAL 249 Cb -0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hhe s VAL 249 CO 0.04 -0.26 -0.19 -0.76 0.00 0.00 0.00 175.10 173.94 3hhe s LEU 250 N 1.66 2.64 0.34 3.92 1.43 0.48 -4.96 118.68 124.19 3hhe s LEU 250 Ca 0.04 -0.72 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 3hhe s LEU 250 Cb -0.19 -1.39 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 3hhe s LEU 250 CO 0.09 0.13 -0.02 -0.70 0.23 0.00 0.00 176.35 176.08 3hhe s GLU 251 N -2.60 2.01 0.40 1.70 2.56 -1.26 -0.91 118.70 120.60 3hhe s GLU 251 Ca 0.21 -1.80 0.08 0.00 0.00 0.00 0.00 54.97 53.46 3hhe s GLU 251 Cb -0.09 -1.87 0.85 0.00 2.00 0.00 0.00 34.13 35.02 3hhe s GLU 251 CO 0.11 0.14 2.02 -1.35 -0.56 0.00 0.00 175.26 175.62 3hhe h PRO 252 N 1.86 0.58 0.00 4.30 0.11 -1.87 -0.91 132.00 136.07 3hhe h PRO 252 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hhe h PRO 252 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hhe h PRO 252 CO 0.68 0.38 0.25 0.27 -0.21 0.00 0.00 178.00 179.37 3hhe h PHE 253 N 0.59 0.00 -0.01 0.65 -5.15 -1.95 -0.20 116.94 110.88 3hhe h PHE 253 Ca 0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.98 3hhe h PHE 253 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.28 3hhe h PHE 253 CO -0.00 0.00 -0.23 -0.25 -2.00 0.00 0.00 178.31 175.83 3hhe n ASP 254 N -2.48 1.01 -0.47 -0.68 8.00 -0.35 -5.08 116.55 116.50 3hhe n ASP 254 Ca -0.02 -0.90 0.06 0.00 0.71 0.00 0.00 54.79 54.64 3hhe n ASP 254 Cb 0.29 0.11 0.05 0.00 -0.02 0.00 0.00 41.12 41.54 3hhe n ASP 254 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30