#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhx s THR 26 N 0.00 0.66 0.03 0.00 -4.23 -1.26 -5.16 115.64 105.68 3hhx s THR 26 Ca 0.00 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 3hhx s THR 26 Cb 0.00 -0.69 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 3hhx s THR 26 CO 0.00 -0.31 -0.05 0.00 -0.54 0.00 0.00 174.62 173.72 3hhx s ALA 27 N -1.26 0.33 -0.67 3.99 0.00 -1.26 -5.09 121.76 117.80 3hhx s ALA 27 Ca -0.07 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 3hhx s ALA 27 Cb -0.09 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.16 3hhx s ALA 27 CO 0.01 -0.08 1.09 -0.51 0.00 0.00 0.00 175.76 176.27 3hhx s ASP 28 N -1.40 6.20 -0.04 0.00 -0.00 -1.26 -4.97 116.67 115.19 3hhx s ASP 28 Ca -0.12 -0.67 -0.01 0.00 -0.00 0.00 0.00 52.55 51.74 3hhx s ASP 28 Cb -0.09 -2.48 0.03 0.00 -0.00 0.00 0.00 42.92 40.38 3hhx s ASP 28 CO -0.00 -1.57 0.08 -0.89 -0.00 0.00 0.00 175.17 172.79 3hhx s THR 29 N 4.72 -0.05 0.53 -1.27 2.01 -1.26 -5.15 115.64 115.17 3hhx s THR 29 Ca 0.29 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.30 3hhx s THR 29 Cb -0.13 -0.15 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 3hhx s THR 29 CO 0.14 0.08 1.01 -0.94 -0.69 0.00 0.00 174.62 174.22 3hhx s SER 30 N 1.04 6.32 0.28 3.53 1.04 -1.26 -4.87 113.70 119.78 3hhx s SER 30 Ca -0.08 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.06 3hhx s SER 30 Cb -0.11 -2.52 0.62 0.00 0.10 0.00 0.00 66.02 64.10 3hhx s SER 30 CO -0.04 -0.80 1.76 -0.65 0.98 0.00 0.00 173.24 174.49 3hhx h PRO 31 N 0.87 0.64 0.19 4.02 0.11 -2.01 -0.87 132.00 134.94 3hhx h PRO 31 Ca -0.47 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3hhx h PRO 31 Cb 1.20 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3hhx h PRO 31 CO 0.60 0.42 -0.34 1.49 -0.21 0.00 0.00 178.00 179.96 3hhx h GLU 32 N 0.66 -0.58 -0.33 1.05 4.81 -1.99 -0.53 114.58 117.68 3hhx h GLU 32 Ca 0.51 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.77 3hhx h GLU 32 Cb 0.77 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3hhx h GLU 32 CO -0.38 -0.39 0.16 -0.09 -0.73 0.00 0.00 179.01 177.57 3hhx h ARG 33 N -0.61 0.47 -0.79 1.92 2.43 -1.86 -0.35 114.38 115.59 3hhx h ARG 33 Ca 0.01 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3hhx h ARG 33 Cb 0.61 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 3hhx h ARG 33 CO -0.15 0.43 0.50 1.25 -1.51 0.00 0.00 179.97 180.49 3hhx h LEU 34 N 0.39 0.83 -0.24 3.80 5.85 -1.09 0.34 115.31 125.19 3hhx h LEU 34 Ca 0.11 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hhx h LEU 34 Cb 0.11 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hhx h LEU 34 CO -0.01 0.57 0.16 0.00 -0.34 0.00 0.00 178.44 178.81 3hhx h ALA 35 N 1.34 0.31 -0.51 1.25 0.00 -0.88 0.23 119.26 121.00 3hhx h ALA 35 Ca 0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3hhx h ALA 35 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hhx h ALA 35 CO -0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 179.25 178.92 3hhx h ALA 36 N 1.08 1.04 -0.02 0.00 0.00 -0.67 -1.33 119.26 119.36 3hhx h ALA 36 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hhx h ALA 36 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hhx h ALA 36 CO -0.02 0.60 -0.00 0.82 0.00 0.00 0.00 179.25 180.64 3hhx h ILE 37 N 0.79 1.28 -0.46 0.00 2.04 -0.47 -2.87 117.51 117.82 3hhx h ILE 37 Ca 0.15 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3hhx h ILE 37 Cb 0.48 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3hhx h ILE 37 CO 0.02 0.22 0.23 0.00 0.00 0.00 0.00 178.15 178.63 3hhx h ALA 38 N 0.66 0.58 -0.20 1.87 0.00 -0.56 -1.17 119.26 120.44 3hhx h ALA 38 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hhx h ALA 38 Cb 0.36 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3hhx h ALA 38 CO 0.00 -0.12 -0.30 -0.22 0.00 0.00 0.00 179.25 178.62 3hhx h LYS 39 N 0.47 -0.32 0.00 0.00 3.64 -1.11 0.55 116.57 119.81 3hhx h LYS 39 Ca 0.20 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3hhx h LYS 39 Cb 0.10 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3hhx h LYS 39 CO -0.14 -0.21 -0.28 0.38 -2.27 0.00 0.00 179.45 176.93 3hhx h ASP 40 N -0.33 0.00 0.49 4.20 3.04 -1.33 0.17 116.42 122.66 3hhx h ASP 40 Ca 0.12 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.89 3hhx h ASP 40 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 3hhx h ASP 40 CO -0.39 0.28 -0.23 0.00 -2.04 0.00 0.00 179.24 176.85 3hhx h ALA 41 N 1.72 -0.66 -0.54 4.15 0.00 -0.80 0.19 119.26 123.33 3hhx h ALA 41 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hhx h ALA 41 Cb 1.18 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 3hhx h ALA 41 CO 0.04 -0.76 0.32 -0.07 0.00 0.00 0.00 179.25 178.77 3hhx h LEU 42 N -0.87 0.51 -1.05 0.00 3.38 -0.93 -1.60 115.31 114.76 3hhx h LEU 42 Ca -0.07 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.07 3hhx h LEU 42 Cb 0.59 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 3hhx h LEU 42 CO 0.11 0.36 0.62 1.23 0.09 0.00 0.00 178.44 180.85 3hhx h GLY 43 N 0.63 1.66 0.79 0.83 0.00 -0.62 0.39 103.07 106.74 3hhx h GLY 43 Ca 0.22 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3hhx h GLY 43 CO -0.10 0.04 -0.34 0.00 0.00 0.00 0.00 176.54 176.14 3hhx h ALA 44 N 1.60 0.20 -0.09 3.60 0.00 0.21 -0.26 119.26 124.52 3hhx h ALA 44 Ca 0.53 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hhx h ALA 44 Cb 0.74 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hhx h ALA 44 CO -0.32 0.26 -0.05 -0.07 0.00 0.00 0.00 179.25 179.07 3hhx h LEU 45 N 0.02 0.21 -0.59 0.00 3.38 -0.92 -1.48 115.31 115.94 3hhx h LEU 45 Ca -0.01 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.64 3hhx h LEU 45 Cb 0.96 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 3hhx h LEU 45 CO 0.07 0.59 0.16 0.78 0.09 0.00 0.00 178.44 180.13 3hhx h ASN 46 N -0.17 0.09 -0.17 -0.43 -0.26 -0.93 -0.52 115.58 113.19 3hhx h ASN 46 Ca 0.02 0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 3hhx h ASN 46 Cb 0.51 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3hhx h ASN 46 CO 0.02 0.06 0.02 0.44 -1.06 0.00 0.00 177.43 176.91 3hhx h ASP 47 N 0.31 0.35 -0.46 5.81 3.32 -0.89 -0.59 116.42 124.28 3hhx h ASP 47 Ca 0.30 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 3hhx h ASP 47 Cb 0.42 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3hhx h ASP 47 CO -0.35 0.40 0.06 0.58 -1.72 0.00 0.00 179.24 178.20 3hhx h VAL 48 N 0.38 1.25 -0.52 -1.35 2.07 -0.09 0.23 116.25 118.22 3hhx h VAL 48 Ca 0.09 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.71 3hhx h VAL 48 Cb 0.22 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3hhx h VAL 48 CO 0.00 0.33 0.29 0.40 0.02 0.00 0.00 177.57 178.61 3hhx h ILE 49 N 0.63 1.00 -0.50 4.57 2.04 -0.54 -1.07 117.51 123.63 3hhx h ILE 49 Ca 0.14 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 3hhx h ILE 49 Cb 0.41 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3hhx h ILE 49 CO 0.01 0.10 -0.12 -0.07 0.00 0.00 0.00 178.15 178.08 3hhx h LEU 50 N 0.56 0.97 0.14 1.44 3.38 -1.02 0.16 115.31 120.94 3hhx h LEU 50 Ca 0.22 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hhx h LEU 50 Cb 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hhx h LEU 50 CO -0.13 1.11 -0.07 0.50 0.09 0.00 0.00 178.44 179.93 3hhx h LYS 51 N 0.82 -0.19 -0.01 1.13 3.64 -0.18 -3.13 116.57 118.66 3hhx h LYS 51 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3hhx h LYS 51 Cb 0.68 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hhx h LYS 51 CO 0.05 -0.12 -0.21 0.72 -2.27 0.00 0.00 179.45 177.62 3hhx n HIS 52 N -5.18 0.00 -3.30 1.91 8.25 -0.44 -4.95 115.22 111.52 3hhx n HIS 52 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 3hhx n HIS 52 Cb 0.11 -0.06 0.08 0.00 1.12 0.00 0.00 29.99 31.24 3hhx n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hhx n GLY 53 N 1.31 -0.42 3.76 -1.41 0.00 -0.04 -4.93 105.19 103.46 3hhx n GLY 53 Ca 0.14 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3hhx n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hhx n VAL 54 N -3.78 2.18 -3.78 1.61 0.31 -0.66 -4.99 118.33 109.22 3hhx n VAL 54 Ca -0.24 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.36 3hhx n VAL 54 Cb 0.65 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 3hhx n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hhx s THR 55 N -1.13 2.15 0.20 2.52 -4.23 -1.26 -4.96 115.64 108.93 3hhx s THR 55 Ca 0.55 -1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 59.53 3hhx s THR 55 Cb -0.49 -2.60 0.12 0.00 1.34 0.00 0.00 72.50 70.87 3hhx s THR 55 CO 0.62 0.00 1.73 1.88 -0.54 0.00 0.00 174.62 178.31 3hhx h TYR 56 N 0.95 1.20 -0.55 3.99 -1.99 -1.99 -0.96 116.97 117.62 3hhx h TYR 56 Ca -0.39 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.15 3hhx h TYR 56 Cb 1.28 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 39.64 3hhx h TYR 56 CO 0.73 0.96 0.14 -1.35 -0.00 0.00 0.00 178.16 178.65 3hhx h PRO 57 N 1.09 0.83 -0.39 4.88 0.11 -1.99 -1.59 132.00 134.94 3hhx h PRO 57 Ca 0.23 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3hhx h PRO 57 Cb 0.36 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3hhx h PRO 57 CO -0.00 0.74 0.08 0.93 -0.21 0.00 0.00 178.00 179.54 3hhx h GLU 58 N 0.81 0.63 -0.71 1.05 5.08 -1.91 -1.17 114.58 118.35 3hhx h GLU 58 Ca 0.18 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3hhx h GLU 58 Cb 0.28 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3hhx h GLU 58 CO -0.00 0.67 0.42 -0.92 -1.00 0.00 0.00 179.01 178.17 3hhx h TYR 59 N 0.48 0.78 -0.02 4.33 3.20 -1.11 0.34 116.97 124.98 3hhx h TYR 59 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3hhx h TYR 59 Cb 0.33 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3hhx h TYR 59 CO 0.02 0.40 -0.14 0.00 -1.64 0.00 0.00 178.16 176.79 3hhx h ARG 60 N 0.79 -0.22 -0.55 1.82 3.08 -1.07 0.00 114.38 118.22 3hhx h ARG 60 Ca 0.31 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.40 3hhx h ARG 60 Cb 0.14 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3hhx h ARG 60 CO -0.16 -0.15 0.34 0.28 -1.07 0.00 0.00 179.97 179.21 3hhx h VAL 61 N -0.23 1.06 -0.82 2.04 2.07 -0.46 -1.19 116.25 118.72 3hhx h VAL 61 Ca 0.05 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3hhx h VAL 61 Cb 0.30 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3hhx h VAL 61 CO -0.15 0.12 0.37 0.15 0.02 0.00 0.00 177.57 178.08 3hhx h PHE 62 N 0.66 1.21 -0.29 1.57 -0.00 0.10 -0.99 116.94 119.20 3hhx h PHE 62 Ca 0.22 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.97 58.09 3hhx h PHE 62 Cb 0.02 -0.37 -0.01 0.00 -0.00 0.00 0.00 35.95 35.59 3hhx h PHE 62 CO -0.06 0.89 0.04 -0.22 -0.00 0.00 0.00 178.31 178.96 3hhx h LYS 63 N 1.18 0.49 -1.01 1.11 3.64 -0.52 -1.75 116.57 119.71 3hhx h LYS 63 Ca 0.28 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3hhx h LYS 63 Cb 0.15 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 3hhx h LYS 63 CO -0.03 0.60 0.67 0.37 -2.27 0.00 0.00 179.45 178.78 3hhx h GLN 64 N 0.30 1.32 -0.20 1.90 5.75 -0.88 -2.55 115.11 120.76 3hhx h GLN 64 Ca 0.09 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3hhx h GLN 64 Cb 0.35 -0.30 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3hhx h GLN 64 CO 0.01 0.88 0.06 2.35 -2.65 0.00 0.00 178.83 179.47 3hhx h TRP 65 N 1.36 0.32 -0.69 3.99 7.01 -1.05 -1.17 115.95 125.72 3hhx h TRP 65 Ca 0.37 -0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.43 3hhx h TRP 65 Cb -0.16 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 26.74 3hhx h TRP 65 CO -0.00 0.41 0.32 -0.07 -2.79 0.00 0.00 178.44 176.31 3hhx h LEU 66 N 0.14 0.39 -0.56 0.65 3.38 -1.12 0.57 115.31 118.75 3hhx h LEU 66 Ca 0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hhx h LEU 66 Cb 0.25 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hhx h LEU 66 CO -0.00 0.22 0.37 0.40 0.09 0.00 0.00 178.44 179.52 3hhx h ILE 67 N 0.54 1.15 -0.37 1.22 2.04 -1.03 -2.86 117.51 118.19 3hhx h ILE 67 Ca 0.35 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3hhx h ILE 67 Cb 0.40 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3hhx h ILE 67 CO -0.29 0.14 -0.05 0.44 0.00 0.00 0.00 178.15 178.39 3hhx h ASP 68 N 0.76 0.57 -0.05 1.72 3.32 -0.41 -0.11 116.42 122.22 3hhx h ASP 68 Ca 0.21 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3hhx h ASP 68 Cb -0.08 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3hhx h ASP 68 CO -0.04 0.68 0.03 0.58 -1.72 0.00 0.00 179.24 178.76 3hhx h VAL 69 N 0.56 1.06 -0.27 -1.35 2.07 -0.69 -0.48 116.25 117.16 3hhx h VAL 69 Ca 0.11 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3hhx h VAL 69 Cb 0.43 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3hhx h VAL 69 CO 0.02 0.05 0.00 1.23 0.02 0.00 0.00 177.57 178.90 3hhx h GLY 70 N 0.01 0.51 2.00 2.17 0.00 -1.38 -0.20 103.07 106.19 3hhx h GLY 70 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hhx h GLY 70 CO -0.00 0.34 0.00 0.83 0.00 0.00 0.00 176.54 177.71 3hhx h GLU 71 N 0.26 0.00 -0.54 4.80 5.08 -0.88 -1.82 114.58 121.48 3hhx h GLU 71 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hhx h GLU 71 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hhx h GLU 71 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3hhx n GLY 72 N -1.02 2.14 3.16 -3.84 0.00 -0.20 -4.94 105.19 100.49 3hhx n GLY 72 Ca -0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 3hhx n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhx n GLY 73 N 1.48 -0.49 1.64 -0.02 0.00 -0.68 -4.93 105.19 102.18 3hhx n GLY 73 Ca 0.21 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.39 3hhx n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hhx n GLU 74 N -3.56 3.93 -0.06 1.61 1.02 -0.13 -4.56 120.64 118.90 3hhx n GLU 74 Ca -0.04 -2.86 -0.11 0.00 -0.02 0.00 0.00 57.16 54.12 3hhx n GLU 74 Cb 0.56 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 3hhx n GLU 74 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hhx h TRP 75 N 3.99 0.32 -0.54 -0.32 4.06 -1.91 0.18 115.95 121.73 3hhx h TRP 75 Ca 0.00 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 60.97 3hhx h TRP 75 Cb 1.54 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 29.56 3hhx h TRP 75 CO 0.83 0.48 0.22 -1.35 -3.56 0.00 0.00 178.44 175.06 3hhx h PRO 76 N 0.07 0.42 0.57 0.49 0.11 -1.97 -0.41 132.00 131.28 3hhx h PRO 76 Ca 0.05 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3hhx h PRO 76 Cb 0.34 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3hhx h PRO 76 CO 0.01 0.27 -0.36 1.25 -0.21 0.00 0.00 178.00 178.96 3hhx h LEU 77 N 0.43 -0.92 -0.61 2.35 5.85 -1.81 -1.80 115.31 118.80 3hhx h LEU 77 Ca 0.25 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hhx h LEU 77 Cb 0.25 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3hhx h LEU 77 CO -0.23 -0.56 0.26 0.15 -0.34 0.00 0.00 178.44 177.71 3hhx h PHE 78 N -0.89 0.92 -0.09 1.25 3.04 -0.40 -1.68 116.94 119.08 3hhx h PHE 78 Ca -0.07 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.76 3hhx h PHE 78 Cb 0.73 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.96 3hhx h PHE 78 CO -0.11 0.72 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.67 3hhx h LEU 79 N 0.85 0.30 -0.81 0.59 3.38 -1.10 0.98 115.31 119.50 3hhx h LEU 79 Ca 0.21 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3hhx h LEU 79 Cb 0.18 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3hhx h LEU 79 CO -0.02 0.79 0.53 0.44 0.09 0.00 0.00 178.44 180.27 3hhx h ASP 80 N -0.18 0.90 -0.00 -0.43 3.32 -1.33 0.61 116.42 119.30 3hhx h ASP 80 Ca 0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hhx h ASP 80 Cb 0.73 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3hhx h ASP 80 CO 0.04 0.63 0.00 0.58 -1.72 0.00 0.00 179.24 178.77 3hhx h VAL 81 N 1.05 1.21 0.00 -1.35 2.07 -1.23 -3.31 116.25 114.70 3hhx h VAL 81 Ca 0.31 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3hhx h VAL 81 Cb -0.07 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hhx h VAL 81 CO -0.09 0.16 -1.35 0.49 0.02 0.00 0.00 177.57 176.81 3hhx n PHE 82 N -4.96 0.06 0.00 1.57 3.72 0.33 -4.23 117.46 113.95 3hhx n PHE 82 Ca -0.08 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3hhx n PHE 82 Cb 0.15 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 3hhx n PHE 82 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hhx n ILE 83 N -1.86 0.00 -0.33 4.37 2.08 0.20 -4.86 119.36 118.96 3hhx n ILE 83 Ca 0.01 0.00 0.24 0.00 0.56 0.00 0.00 62.75 63.56 3hhx n ILE 83 Cb 0.43 -0.67 0.52 0.00 -0.75 0.00 0.00 39.64 39.17 3hhx n ILE 83 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3hhx h GLU 84 N 0.00 0.36 -0.95 0.38 4.81 -1.28 -1.18 114.58 116.71 3hhx h GLU 84 Ca 0.00 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.40 3hhx h GLU 84 Cb 0.77 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 3hhx h GLU 84 CO 0.00 0.24 0.61 1.12 -0.73 0.00 0.00 179.01 180.25 3hhx h HIS 85 N 0.37 0.77 -0.51 0.92 2.07 -1.83 0.10 115.15 117.04 3hhx h HIS 85 Ca 0.62 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 58.13 3hhx h HIS 85 Cb 1.60 -0.23 -0.02 0.00 2.57 0.00 0.00 27.41 31.32 3hhx h HIS 85 CO -0.00 0.20 0.19 0.77 -3.07 0.00 0.00 177.93 176.01 3hhx h SER 86 N 0.57 0.72 -0.67 3.10 0.02 -1.57 0.92 113.55 116.64 3hhx h SER 86 Ca 0.51 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3hhx h SER 86 Cb 1.04 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 3hhx h SER 86 CO -0.26 0.71 0.23 0.58 -1.14 0.00 0.00 176.83 176.95 3hhx h VAL 87 N 0.69 1.25 -0.36 2.27 2.07 -0.93 -1.42 116.25 119.81 3hhx h VAL 87 Ca 0.17 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 3hhx h VAL 87 Cb 0.22 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3hhx h VAL 87 CO -0.01 0.33 -0.25 -0.08 0.02 0.00 0.00 177.57 177.58 3hhx h GLU 88 N 0.97 0.81 -0.84 1.57 4.22 -1.02 -2.44 114.58 117.84 3hhx h GLU 88 Ca 0.22 -0.38 0.10 0.00 0.08 0.00 0.00 59.36 59.38 3hhx h GLU 88 Cb 0.27 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 3hhx h GLU 88 CO -0.01 1.01 0.48 1.49 -2.18 0.00 0.00 179.01 179.80 3hhx h GLU 89 N 0.60 0.76 0.10 1.92 4.81 -0.42 1.03 114.58 123.37 3hhx h GLU 89 Ca 0.07 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3hhx h GLU 89 Cb 0.81 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 3hhx h GLU 89 CO 0.07 0.50 -0.50 0.28 -0.73 0.00 0.00 179.01 178.63 3hhx h VAL 90 N 0.78 0.00 -0.72 0.32 2.07 -1.15 -2.86 116.25 114.69 3hhx h VAL 90 Ca 0.41 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.05 3hhx h VAL 90 Cb 0.40 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 3hhx h VAL 90 CO -0.26 0.00 0.31 0.25 0.02 0.00 0.00 177.57 177.89 3hhx h LEU 91 N -0.70 0.33 -1.43 2.57 5.85 -0.27 -2.46 115.31 119.20 3hhx h LEU 91 Ca -0.00 0.09 0.35 0.00 0.84 0.00 0.00 57.88 59.16 3hhx h LEU 91 Cb 0.71 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.68 3hhx h LEU 91 CO -0.28 0.16 0.77 0.00 -0.34 0.00 0.00 178.44 178.75 3hhx h ALA 92 N 1.50 2.54 -0.00 1.25 0.00 0.12 -1.48 119.26 123.18 3hhx h ALA 92 Ca 0.38 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 3hhx h ALA 92 Cb 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hhx h ALA 92 CO -0.35 -1.04 -0.21 0.00 0.00 0.00 0.00 179.25 177.65 3hhx h ARG 93 N 0.22 0.01 -0.21 0.00 3.08 -1.38 -2.61 114.38 113.48 3hhx h ARG 93 Ca 0.70 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.75 3hhx h ARG 93 Cb 2.07 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.11 3hhx h ARG 93 CO -0.33 0.22 0.00 -1.13 -1.07 0.00 0.00 179.97 177.66 3hhx n SER 94 N -4.29 1.92 -4.22 7.04 3.41 -0.56 -4.94 113.62 111.99 3hhx n SER 94 Ca -0.02 -1.77 -0.29 0.00 -0.26 0.00 0.00 58.87 56.53 3hhx n SER 94 Cb 0.27 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 63.93 3hhx n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hhx s ARG 95 N -1.73 2.16 -0.03 4.33 0.52 -0.99 -5.01 118.95 118.20 3hhx s ARG 95 Ca 0.32 -0.79 0.21 0.00 -0.52 0.00 0.00 55.73 54.95 3hhx s ARG 95 Cb 0.18 -1.88 -0.31 0.00 0.52 0.00 0.00 34.95 33.45 3hhx s ARG 95 CO 0.26 0.35 0.50 1.63 0.02 0.00 0.00 175.30 178.07 3hhx n LYS 96 N 2.93 0.60 0.00 3.54 5.02 -1.26 -5.00 118.16 123.99 3hhx n LYS 96 Ca -0.17 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3hhx n LYS 96 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3hhx n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hhx n GLY 97 N 1.34 -1.76 3.77 0.72 0.00 -1.26 -4.95 105.19 103.05 3hhx n GLY 97 Ca -0.03 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3hhx n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hhx n THR 98 N -0.36 2.23 -1.65 2.61 -1.04 -0.08 -4.89 114.28 111.11 3hhx n THR 98 Ca 0.00 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.05 61.06 3hhx n THR 98 Cb 0.00 -1.95 -0.02 0.00 -1.82 0.00 0.00 70.33 66.54 3hhx n THR 98 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3hhx n MET 99 N 0.25 1.77 -1.62 -2.82 0.00 -1.26 -4.96 117.12 108.48 3hhx n MET 99 Ca 0.02 0.62 -0.16 0.00 0.00 0.00 0.00 57.70 58.19 3hhx n MET 99 Cb 0.40 -2.16 0.09 0.00 0.00 0.00 0.00 33.22 31.54 3hhx n MET 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hhx n GLY 100 N 1.50 0.03 3.24 3.03 0.00 -1.26 -4.78 105.19 106.94 3hhx n GLY 100 Ca 0.10 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 3hhx n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hhx n SER 101 N -3.13 -1.85 -4.77 1.61 2.88 -0.95 -4.77 113.62 102.63 3hhx n SER 101 Ca 0.10 -2.46 -0.36 0.00 -1.33 0.00 0.00 58.87 54.83 3hhx n SER 101 Cb 0.36 3.13 0.00 0.00 -0.75 0.00 0.00 64.21 66.96 3hhx n SER 101 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3hhx s ILE 102 N -2.33 3.06 0.14 2.46 -4.36 -1.26 -4.36 121.20 114.55 3hhx s ILE 102 Ca 0.16 0.69 -0.13 0.00 -0.26 0.00 0.00 60.65 61.11 3hhx s ILE 102 Cb -0.04 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.38 3hhx s ILE 102 CO 0.12 -0.12 1.59 -0.08 0.24 0.00 0.00 174.94 176.69 3hhx h GLU 103 N 1.30 0.80 -0.53 0.37 4.81 -1.93 -3.44 114.58 115.96 3hhx h GLU 103 Ca -0.50 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 58.54 3hhx h GLU 103 Cb 1.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3hhx h GLU 103 CO 0.57 0.85 -0.14 0.41 -0.73 0.00 0.00 179.01 179.97 3hhx n GLY 104 N -0.38 -2.04 0.00 1.92 0.00 -1.26 -4.63 105.19 98.80 3hhx n GLY 104 Ca 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.70 3hhx n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hhx n PRO 105 N -2.75 0.03 -0.58 1.61 -0.05 -1.26 -4.32 135.00 127.68 3hhx n PRO 105 Ca -0.01 0.07 0.05 0.00 -0.05 0.00 0.00 63.50 63.57 3hhx n PRO 105 Cb 0.11 -1.50 0.27 0.00 -0.05 0.00 0.00 33.50 32.32 3hhx n PRO 105 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3hhx n TYR 106 N -1.48 1.20 -3.05 0.54 4.02 -1.26 -4.98 117.16 112.14 3hhx n TYR 106 Ca 0.07 -1.00 -0.39 0.00 -0.01 0.00 0.00 57.90 56.56 3hhx n TYR 106 Cb 0.28 -0.39 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 3hhx n TYR 106 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3hhx s TYR 107 N -2.90 3.82 -0.12 -0.72 5.04 -1.26 -5.02 117.35 116.19 3hhx s TYR 107 Ca 0.45 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.57 3hhx s TYR 107 Cb 0.37 -2.72 0.02 0.00 0.35 0.00 0.00 41.96 39.97 3hhx s TYR 107 CO 0.09 0.44 -0.12 0.42 -1.34 0.00 0.00 175.55 175.04 3hhx s ILE 108 N -0.74 1.33 0.94 3.14 1.01 -1.26 -5.12 121.20 120.50 3hhx s ILE 108 Ca 0.35 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 3hhx s ILE 108 Cb -0.21 -1.27 0.16 0.00 0.01 0.00 0.00 42.46 41.15 3hhx s ILE 108 CO 0.23 0.42 1.10 -1.61 0.00 0.00 0.00 174.94 175.08 3hhx s GLU 109 N 1.43 0.82 -1.39 2.79 2.02 -1.26 -4.01 118.70 119.10 3hhx s GLU 109 Ca 0.02 1.21 -0.09 0.00 0.02 0.00 0.00 54.97 56.13 3hhx s GLU 109 Cb -0.13 -1.73 0.06 0.00 0.10 0.00 0.00 34.13 32.43 3hhx s GLU 109 CO -0.07 -2.66 0.60 0.09 0.02 0.00 0.00 175.26 173.23 3hhx n ASN 110 N -4.22 -4.46 -4.67 -0.19 4.13 -1.26 -4.98 115.26 99.61 3hhx n ASN 110 Ca 0.09 -0.43 -0.42 0.00 1.68 0.00 0.00 54.58 55.50 3hhx n ASN 110 Cb 0.53 -3.64 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 3hhx n ASN 110 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3hhx n SER 111 N -2.43 2.18 -4.74 6.41 3.41 -1.26 -4.87 113.62 112.32 3hhx n SER 111 Ca -0.03 1.12 -0.37 0.00 -0.26 0.00 0.00 58.87 59.33 3hhx n SER 111 Cb 0.56 -1.44 0.06 0.00 -0.26 0.00 0.00 64.21 63.13 3hhx n SER 111 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3hhx s PRO 112 N -2.03 2.69 0.38 4.33 0.02 -1.26 -3.55 135.00 135.58 3hhx s PRO 112 Ca 0.60 2.06 -0.26 0.00 0.02 0.00 0.00 61.00 63.42 3hhx s PRO 112 Cb -0.55 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 31.97 3hhx s PRO 112 CO 0.59 -1.49 1.14 -1.21 -0.33 0.00 0.00 177.00 175.69 3hhx s GLU 113 N -3.30 4.19 0.14 5.54 2.02 -1.26 -1.17 118.70 124.86 3hhx s GLU 113 Ca 0.81 1.78 0.06 0.00 0.02 0.00 0.00 54.97 57.64 3hhx s GLU 113 Cb -0.37 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 3hhx s GLU 113 CO 0.40 -0.19 -0.14 -0.51 0.02 0.00 0.00 175.26 174.84 3hhx s LEU 114 N -2.32 2.44 0.66 1.80 1.43 0.37 -4.83 118.68 118.23 3hhx s LEU 114 Ca 0.55 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3hhx s LEU 114 Cb -0.29 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.33 3hhx s LEU 114 CO 0.37 -0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.76 3hhx s PRO 115 N -2.88 2.79 0.41 1.29 0.04 -1.26 -0.21 135.00 135.18 3hhx s PRO 115 Ca 0.12 1.39 0.15 0.00 0.04 0.00 0.00 61.00 62.70 3hhx s PRO 115 Cb -0.04 -1.95 1.02 0.00 0.04 0.00 0.00 34.50 33.57 3hhx s PRO 115 CO 0.04 -1.26 1.87 0.66 0.04 0.00 0.00 177.00 178.35 3hhx h SER 116 N 0.02 0.45 -3.35 6.66 4.64 -1.64 -3.26 113.55 117.06 3hhx h SER 116 Ca -0.47 0.04 -0.62 0.00 -0.47 0.00 0.00 61.79 60.27 3hhx h SER 116 Cb 1.25 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.11 3hhx h SER 116 CO 0.54 0.20 -0.58 -0.75 -0.87 0.00 0.00 176.83 175.37 3hhx s LYS 117 N -5.47 3.90 0.12 4.77 2.20 -1.26 0.37 119.74 124.37 3hhx s LYS 117 Ca -0.08 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 54.89 3hhx s LYS 117 Cb 0.22 -3.21 0.08 0.00 -1.51 0.00 0.00 37.83 33.41 3hhx s LYS 117 CO 0.78 0.20 1.07 0.00 -0.36 0.00 0.00 175.35 177.04 3hhx s THR 119 N -2.72 1.59 0.55 0.00 -1.32 -1.26 -1.81 115.64 110.66 3hhx s THR 119 Ca 0.16 -0.97 -0.21 0.00 -1.21 0.00 0.00 61.69 59.46 3hhx s THR 119 Cb -0.00 -1.35 -0.05 0.00 -1.51 0.00 0.00 72.50 69.59 3hhx s THR 119 CO 0.02 0.35 1.25 -0.76 -2.21 0.00 0.00 174.62 173.27 3hhx s LEU 120 N -0.73 3.81 0.34 9.08 1.43 -0.64 -4.94 118.68 127.03 3hhx s LEU 120 Ca 0.07 2.50 -0.28 0.00 -1.03 0.00 0.00 54.13 55.40 3hhx s LEU 120 Cb -0.08 -4.41 -0.12 0.00 0.03 0.00 0.00 46.19 41.61 3hhx s LEU 120 CO 0.00 -1.43 1.22 -2.65 0.23 0.00 0.00 176.35 173.72 3hhx n PRO 121 N -1.14 1.91 -3.53 1.29 -0.02 -1.26 -4.83 135.00 127.42 3hhx n PRO 121 Ca 0.11 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 3hhx n PRO 121 Cb 0.48 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3hhx n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhx s MET 122 N -1.85 1.34 0.62 -0.52 0.23 -1.26 -1.10 119.30 116.75 3hhx s MET 122 Ca 0.57 -0.60 -0.04 0.00 -1.03 0.00 0.00 55.69 54.60 3hhx s MET 122 Cb -0.59 0.58 0.04 0.00 -1.53 0.00 0.00 34.83 33.33 3hhx s MET 122 CO 0.61 -0.58 0.90 1.03 -2.03 0.00 0.00 175.02 174.95 3hhx s ARG 123 N -3.79 2.48 0.41 3.16 0.52 -1.26 -4.95 118.95 115.52 3hhx s ARG 123 Ca 0.03 -0.40 0.15 0.00 -0.52 0.00 0.00 55.73 54.99 3hhx s ARG 123 Cb -0.01 -2.31 1.01 0.00 0.52 0.00 0.00 34.95 34.16 3hhx s ARG 123 CO -0.09 -0.93 1.90 0.93 0.02 0.00 0.00 175.30 177.13 3hhx h GLU 124 N -0.26 0.45 -1.01 3.54 5.08 -2.02 -0.92 114.58 119.44 3hhx h GLU 124 Ca -0.44 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.93 3hhx h GLU 124 Cb 1.30 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3hhx h GLU 124 CO 0.58 0.30 0.66 0.93 -1.00 0.00 0.00 179.01 180.47 3hhx h GLU 125 N 0.47 1.23 -0.13 2.33 3.07 -2.03 -3.04 114.58 116.48 3hhx h GLU 125 Ca 0.40 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 59.01 3hhx h GLU 125 Cb 0.88 -0.28 0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3hhx h GLU 125 CO -0.14 0.81 -0.63 -0.44 -1.40 0.00 0.00 179.01 177.21 3hhx h ASP 126 N 1.27 0.79 -0.65 1.42 3.32 -1.55 -2.96 116.42 118.06 3hhx h ASP 126 Ca 0.40 -0.63 0.19 0.00 0.02 0.00 0.00 57.03 57.01 3hhx h ASP 126 Cb 0.02 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3hhx h ASP 126 CO -0.13 1.29 0.83 -0.33 -1.72 0.00 0.00 179.24 179.18 3hhx h GLU 127 N 0.34 0.00 0.00 3.56 5.08 -1.32 0.25 114.58 122.49 3hhx h GLU 127 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hhx h GLU 127 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3hhx h GLU 127 CO 0.13 0.00 0.00 -0.22 -1.00 0.00 0.00 179.01 177.92 3hhx h LYS 128 N 0.00 0.00 -6.52 2.33 3.64 -1.59 -3.46 116.57 110.97 3hhx h LYS 128 Ca 0.31 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.16 3hhx h LYS 128 Cb 1.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.77 3hhx h LYS 128 CO -0.00 0.00 -0.07 0.42 -2.27 0.00 0.00 179.45 177.53 3hhx s ILE 129 N -3.35 4.90 -0.15 2.00 -1.09 0.86 -4.98 121.20 119.39 3hhx s ILE 129 Ca 0.04 0.47 -0.37 0.00 -2.23 0.00 0.00 60.65 58.56 3hhx s ILE 129 Cb 0.09 -3.65 -0.14 0.00 -1.58 0.00 0.00 42.46 37.18 3hhx s ILE 129 CO 0.45 -0.18 1.75 0.41 -1.23 0.00 0.00 174.94 176.14 3hhx n THR 130 N -0.43 0.36 -1.90 2.92 -1.04 -1.26 -4.84 114.28 108.08 3hhx n THR 130 Ca 0.01 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.05 61.59 3hhx n THR 130 Cb 0.53 -1.44 0.05 0.00 -1.82 0.00 0.00 70.33 67.64 3hhx n THR 130 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3hhx s PRO 131 N 3.30 2.81 -0.11 -2.82 0.02 -1.26 -1.33 135.00 135.60 3hhx s PRO 131 Ca 0.94 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.87 3hhx s PRO 131 Cb -0.90 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 31.73 3hhx s PRO 131 CO 0.57 -1.35 -0.21 -1.17 -0.33 0.00 0.00 177.00 174.52 3hhx s LEU 132 N -4.22 2.00 -0.29 -5.54 2.96 0.56 -1.27 118.68 112.88 3hhx s LEU 132 Ca 0.79 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3hhx s LEU 132 Cb -0.32 -1.32 0.05 0.00 0.50 0.00 0.00 46.19 45.09 3hhx s LEU 132 CO 0.36 0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.77 3hhx s VAL 133 N 0.67 2.90 -0.29 1.68 1.01 0.56 0.34 120.40 127.27 3hhx s VAL 133 Ca -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.45 3hhx s VAL 133 Cb -0.16 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.60 3hhx s VAL 133 CO 0.02 -0.08 -0.00 0.12 0.00 0.00 0.00 175.10 175.16 3hhx s PHE 134 N 1.24 3.20 0.21 5.22 5.36 0.20 -1.54 117.98 131.86 3hhx s PHE 134 Ca -0.05 -1.67 0.09 0.00 -0.96 0.00 0.00 56.93 54.33 3hhx s PHE 134 Cb -0.20 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.32 3hhx s PHE 134 CO -0.02 -0.76 -0.08 -1.12 -1.46 0.00 0.00 175.22 171.78 3hhx s SER 135 N 1.31 4.26 0.00 6.13 0.01 0.72 -0.23 113.70 125.90 3hhx s SER 135 Ca -0.03 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.60 3hhx s SER 135 Cb -0.19 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.33 3hhx s SER 135 CO -0.01 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.32 3hhx n GLY 136 N -0.21 -0.85 2.90 3.44 0.00 -0.82 0.37 105.19 110.02 3hhx n GLY 136 Ca -0.09 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3hhx n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hhx s GLN 137 N -1.13 0.06 -0.25 1.61 0.74 -1.25 -2.27 119.66 117.17 3hhx s GLN 137 Ca 0.00 -0.09 -0.16 0.00 0.05 0.00 0.00 55.36 55.16 3hhx s GLN 137 Cb 0.00 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 3hhx s GLN 137 CO 0.00 -0.01 0.41 0.08 -0.55 0.00 0.00 175.29 175.22 3hhx s VAL 138 N -0.25 5.16 0.25 1.34 1.01 0.58 -0.73 120.40 127.76 3hhx s VAL 138 Ca -0.03 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.66 3hhx s VAL 138 Cb -0.02 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3hhx s VAL 138 CO -0.00 0.17 0.01 0.42 0.00 0.00 0.00 175.10 175.69 3hhx s THR 139 N 1.91 1.10 0.34 3.92 -4.23 0.11 -1.90 115.64 116.89 3hhx s THR 139 Ca 0.17 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.59 3hhx s THR 139 Cb -0.15 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.33 3hhx s THR 139 CO 0.09 -0.26 0.44 -0.90 -0.54 0.00 0.00 174.62 173.46 3hhx n ASP 140 N -0.48 -0.14 0.20 3.99 5.68 0.15 -1.43 116.55 124.51 3hhx n ASP 140 Ca -0.04 -1.11 0.04 0.00 -0.50 0.00 0.00 54.79 53.18 3hhx n ASP 140 Cb 0.64 -0.35 0.47 0.00 -1.14 0.00 0.00 41.12 40.75 3hhx n ASP 140 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3hhx h LEU 141 N 0.00 0.05 -0.60 -2.12 4.07 -1.89 -2.21 115.31 112.61 3hhx h LEU 141 Ca -0.15 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.80 3hhx h LEU 141 Cb 0.41 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3hhx h LEU 141 CO 0.10 0.24 0.00 0.47 -1.08 0.00 0.00 178.44 178.17 3hhx n ASP 142 N -4.30 0.93 0.00 -0.43 8.00 -1.26 -4.90 116.55 114.58 3hhx n ASP 142 Ca -0.02 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.07 3hhx n ASP 142 Cb 0.26 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3hhx n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hhx n GLY 143 N 1.06 0.77 3.73 0.44 0.00 -0.83 -5.06 105.19 105.29 3hhx n GLY 143 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hhx n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhx s ASN 144 N -2.09 7.45 0.46 1.61 -0.87 -1.26 -4.78 114.94 115.47 3hhx s ASN 144 Ca 0.00 1.79 -0.21 0.00 -1.57 0.00 0.00 52.86 52.87 3hhx s ASN 144 Cb 0.00 -2.59 -0.09 0.00 -0.02 0.00 0.00 41.25 38.56 3hhx s ASN 144 CO 0.00 -0.12 1.03 -0.83 -2.57 0.00 0.00 177.10 174.61 3hhx s GLY 145 N 0.19 2.54 -0.11 0.66 0.00 -1.26 0.31 107.32 109.64 3hhx s GLY 145 Ca 0.48 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.83 3hhx s GLY 145 CO 0.30 0.93 -0.20 1.08 0.00 0.00 0.00 173.10 175.21 3hhx s LEU 146 N -3.28 1.98 0.44 0.66 1.43 -0.80 -4.77 118.68 114.34 3hhx s LEU 146 Ca 0.65 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 3hhx s LEU 146 Cb -0.16 -1.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 3hhx s LEU 146 CO 0.20 0.09 0.81 0.00 0.23 0.00 0.00 176.35 177.68 3hhx s ALA 147 N 0.67 3.32 -1.24 4.21 0.00 -1.25 -2.59 121.76 124.88 3hhx s ALA 147 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3hhx s ALA 147 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3hhx s ALA 147 CO 0.02 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3hhx n GLY 148 N -1.54 0.93 3.83 0.00 0.00 -1.26 -4.55 105.19 102.60 3hhx n GLY 148 Ca 0.03 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3hhx n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhx s ALA 149 N -2.50 3.65 0.00 4.61 0.00 -1.25 -4.21 121.76 122.06 3hhx s ALA 149 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.89 3hhx s ALA 149 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 3hhx s ALA 149 CO 0.00 0.46 -0.21 0.15 0.00 0.00 0.00 175.76 176.15 3hhx s LYS 150 N -1.26 1.64 -0.27 0.00 1.02 0.78 -1.07 119.74 120.58 3hhx s LYS 150 Ca 0.28 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.46 3hhx s LYS 150 Cb -0.17 -1.65 0.06 0.00 -0.52 0.00 0.00 37.83 35.55 3hhx s LYS 150 CO 0.16 0.44 -0.08 0.08 -0.92 0.00 0.00 175.35 175.03 3hhx s VAL 151 N -0.60 2.33 -0.27 3.17 1.01 -0.63 -0.96 120.40 124.45 3hhx s VAL 151 Ca 0.08 -1.63 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 3hhx s VAL 151 Cb -0.08 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3hhx s VAL 151 CO 0.00 -0.08 0.47 -1.61 0.00 0.00 0.00 175.10 173.88 3hhx s GLU 152 N 1.12 4.04 -0.06 2.72 2.02 -0.51 -0.85 118.70 127.18 3hhx s GLU 152 Ca -0.07 0.22 0.05 0.00 0.02 0.00 0.00 54.97 55.18 3hhx s GLU 152 Cb -0.20 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 3hhx s GLU 152 CO -0.04 -0.33 -0.19 -1.17 0.02 0.00 0.00 175.26 173.54 3hhx s LEU 153 N 2.23 2.41 -0.07 1.80 2.96 -0.68 -0.91 118.68 126.42 3hhx s LEU 153 Ca 0.19 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 3hhx s LEU 153 Cb -0.16 -1.47 0.04 0.00 0.50 0.00 0.00 46.19 45.10 3hhx s LEU 153 CO 0.09 0.28 0.40 -1.66 -1.32 0.00 0.00 176.35 174.15 3hhx s TRP 154 N -0.37 -0.35 0.17 5.38 -2.14 -0.40 -2.17 118.94 119.06 3hhx s TRP 154 Ca 0.03 0.71 -0.24 0.00 2.66 0.00 0.00 56.10 59.27 3hhx s TRP 154 Cb -0.12 0.16 0.07 0.00 -3.10 0.00 0.00 33.47 30.48 3hhx s TRP 154 CO 0.02 -0.36 0.97 -3.38 -2.66 0.00 0.00 176.95 171.54 3hhx s HIS 155 N -0.73 -0.07 0.44 1.66 -3.43 -1.14 -1.07 115.29 110.95 3hhx s HIS 155 Ca -0.08 -0.28 -0.21 0.00 -0.80 0.00 0.00 55.06 53.69 3hhx s HIS 155 Cb -0.04 0.67 -0.11 0.00 -1.43 0.00 0.00 32.58 31.67 3hhx s HIS 155 CO 0.04 -0.89 0.96 0.00 -2.00 0.00 0.00 174.74 172.84 3hhx s ALA 156 N -2.98 3.03 1.02 -1.38 0.00 -1.26 -4.79 121.76 115.40 3hhx s ALA 156 Ca 0.15 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 3hhx s ALA 156 Cb -0.02 -3.15 0.20 0.00 0.00 0.00 0.00 23.12 20.14 3hhx s ALA 156 CO 0.04 0.07 1.10 0.16 0.00 0.00 0.00 175.76 177.13 3hhx s ASP 157 N -2.24 2.49 0.25 0.00 1.47 -0.24 -4.78 116.67 113.62 3hhx s ASP 157 Ca 0.62 1.06 0.19 0.00 1.18 0.00 0.00 52.55 55.60 3hhx s ASP 157 Cb -0.10 -1.67 0.95 0.00 -0.34 0.00 0.00 42.92 41.77 3hhx s ASP 157 CO 0.15 -3.20 1.58 -3.20 0.68 0.00 0.00 175.17 171.18 3hhx n ASN 158 N -4.20 0.49 0.02 2.11 5.15 -1.26 -0.29 115.26 117.28 3hhx n ASN 158 Ca 0.06 0.69 0.13 0.00 -0.60 0.00 0.00 54.58 54.86 3hhx n ASN 158 Cb 0.58 -0.77 0.41 0.00 -0.53 0.00 0.00 39.78 39.47 3hhx n ASN 158 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hhx n ASP 159 N -2.12 0.37 0.00 1.20 8.00 -1.26 -4.95 116.55 117.79 3hhx n ASP 159 Ca -0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3hhx n ASP 159 Cb 0.08 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3hhx n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hhx n GLY 160 N 1.45 0.77 3.86 0.44 0.00 0.60 -5.04 105.19 107.27 3hhx n GLY 160 Ca 0.06 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3hhx n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hhx s TYR 161 N -2.00 3.37 -0.08 1.61 1.51 -1.26 -4.84 117.35 115.66 3hhx s TYR 161 Ca 0.00 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 3hhx s TYR 161 Cb 0.00 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3hhx s TYR 161 CO 0.00 0.56 -0.10 0.71 -1.11 0.00 0.00 175.55 175.61 3hhx s TYR 162 N -1.48 2.85 0.41 2.71 1.51 -1.26 -1.08 117.35 121.02 3hhx s TYR 162 Ca 0.32 -0.19 -0.26 0.00 -1.01 0.00 0.00 57.07 55.94 3hhx s TYR 162 Cb -0.12 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 3hhx s TYR 162 CO 0.25 0.15 1.32 -1.54 -1.11 0.00 0.00 175.55 174.62 3hhx s SER 163 N -0.44 6.24 -0.04 2.29 1.04 -1.26 -1.29 113.70 120.24 3hhx s SER 163 Ca 0.06 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.17 3hhx s SER 163 Cb -0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3hhx s SER 163 CO 0.02 -0.90 0.00 0.00 0.98 0.00 0.00 173.24 173.34 3hhx n GLN 164 N 0.06 -0.62 -0.40 4.02 6.02 -1.26 -4.74 117.38 120.46 3hhx n GLN 164 Ca 0.04 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3hhx n GLN 164 Cb 0.43 -3.68 0.00 0.00 1.02 0.00 0.00 30.24 28.02 3hhx n GLN 164 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hhx n PHE 165 N -2.69 0.00 -3.45 1.08 3.01 -0.41 -4.98 117.46 110.01 3hhx n PHE 165 Ca -0.00 -0.01 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 3hhx n PHE 165 Cb 0.16 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.55 3hhx n PHE 165 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hhx s ALA 166 N -0.04 -1.90 0.54 4.37 0.00 -1.14 -4.71 121.76 118.87 3hhx s ALA 166 Ca 0.00 1.93 0.31 0.00 0.00 0.00 0.00 51.96 54.20 3hhx s ALA 166 Cb 0.00 -1.84 1.78 0.00 0.00 0.00 0.00 23.12 23.06 3hhx s ALA 166 CO 0.00 -1.07 2.21 -1.35 0.00 0.00 0.00 175.76 175.55 3hhx h PRO 167 N 8.04 0.00 0.00 0.00 0.11 -1.94 -2.65 132.00 135.57 3hhx h PRO 167 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3hhx h PRO 167 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hhx h PRO 167 CO 0.17 0.04 0.00 -2.39 -0.21 0.00 0.00 178.00 175.61 3hhx n HIS 168 N -3.69 0.62 -3.82 0.65 1.44 -1.26 -4.88 115.22 104.29 3hhx n HIS 168 Ca -0.03 0.21 -0.35 0.00 -2.01 0.00 0.00 57.72 55.54 3hhx n HIS 168 Cb 0.13 -0.84 -0.05 0.00 0.12 0.00 0.00 29.99 29.35 3hhx n HIS 168 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hhx s LEU 169 N -4.07 4.39 0.59 2.39 1.43 -1.00 -5.07 118.68 117.33 3hhx s LEU 169 Ca 0.09 0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 53.50 3hhx s LEU 169 Cb 0.12 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3hhx s LEU 169 CO 0.47 0.32 1.18 -2.65 0.23 0.00 0.00 176.35 175.90 3hhx n PRO 170 N 1.47 1.22 0.28 1.29 -0.02 -1.26 -4.64 135.00 133.33 3hhx n PRO 170 Ca -0.15 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 61.97 3hhx n PRO 170 Cb 0.54 -2.38 0.68 0.00 -0.02 0.00 0.00 33.50 32.31 3hhx n PRO 170 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hhx h GLU 171 N 0.84 0.00 -0.15 -0.52 4.11 -1.96 -1.48 114.58 115.42 3hhx h GLU 171 Ca -0.50 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 3hhx h GLU 171 Cb 1.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3hhx h GLU 171 CO 0.54 0.01 -0.12 0.91 0.07 0.00 0.00 179.01 180.42 3hhx n TRP 172 N -3.10 0.49 -1.79 2.06 7.02 -1.26 -4.24 117.44 116.62 3hhx n TRP 172 Ca 0.01 -1.21 -0.42 0.00 -1.02 0.00 0.00 57.50 54.85 3hhx n TRP 172 Cb 0.31 -0.29 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 3hhx n TRP 172 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3hhx s ASN 173 N -2.64 6.48 -1.37 -0.99 3.84 -0.56 -1.72 114.94 117.99 3hhx s ASN 173 Ca 0.39 2.68 -0.09 0.00 0.21 0.00 0.00 52.86 56.05 3hhx s ASN 173 Cb 0.34 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 38.49 3hhx s ASN 173 CO 0.02 -0.95 1.14 0.18 -2.79 0.00 0.00 177.10 174.70 3hhx n LEU 174 N 5.31 -3.36 -3.81 3.21 4.77 -0.26 -4.38 117.00 118.47 3hhx n LEU 174 Ca 0.17 -0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 3hhx n LEU 174 Cb 0.38 -2.98 -0.13 0.00 -2.33 0.00 0.00 43.42 38.36 3hhx n LEU 174 CO 0.64 0.61 -0.22 -0.13 -1.33 0.00 0.00 177.39 176.96 3hhx s ARG 175 N -6.27 0.13 -0.02 3.23 0.52 -0.70 -2.90 118.95 112.95 3hhx s ARG 175 Ca 0.54 0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 55.68 3hhx s ARG 175 Cb -0.24 0.01 0.11 0.00 0.52 0.00 0.00 34.95 35.35 3hhx s ARG 175 CO 0.74 -0.05 0.91 0.20 0.02 0.00 0.00 175.30 177.12 3hhx s GLY 176 N 0.32 -0.45 -0.37 -3.53 0.00 -0.92 -4.47 107.32 97.90 3hhx s GLY 176 Ca -0.02 1.06 -0.05 0.00 0.00 0.00 0.00 44.72 45.71 3hhx s GLY 176 CO -0.01 0.35 0.14 -1.08 0.00 0.00 0.00 173.10 172.50 3hhx s THR 177 N -3.06 3.55 -0.16 0.90 -1.32 -0.31 -1.68 115.64 113.56 3hhx s THR 177 Ca 0.05 -1.51 -0.27 0.00 -1.21 0.00 0.00 61.69 58.75 3hhx s THR 177 Cb -0.01 -3.17 -0.01 0.00 -1.51 0.00 0.00 72.50 67.80 3hhx s THR 177 CO -0.09 -0.38 0.90 -0.63 -2.21 0.00 0.00 174.62 172.21 3hhx s ILE 178 N 1.30 4.84 -0.72 5.08 1.09 -0.03 -0.48 121.20 132.27 3hhx s ILE 178 Ca 0.01 1.78 -0.23 0.00 -1.10 0.00 0.00 60.65 61.11 3hhx s ILE 178 Cb -0.21 -4.20 0.06 0.00 -1.06 0.00 0.00 42.46 37.05 3hhx s ILE 178 CO -0.00 0.00 1.09 -0.63 -0.10 0.00 0.00 174.94 175.30 3hhx s ILE 179 N 2.19 4.17 0.77 2.92 -1.09 0.70 -1.60 121.20 129.26 3hhx s ILE 179 Ca 0.42 -0.28 -0.13 0.00 -2.23 0.00 0.00 60.65 58.43 3hhx s ILE 179 Cb -0.17 -4.78 0.06 0.00 -1.58 0.00 0.00 42.46 36.00 3hhx s ILE 179 CO 0.13 -1.60 1.16 0.00 -1.23 0.00 0.00 174.94 173.41 3hhx s ALA 180 N 4.45 2.03 1.05 9.38 0.00 -0.24 -1.67 121.76 136.76 3hhx s ALA 180 Ca 0.28 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 3hhx s ALA 180 Cb -0.13 -3.41 0.24 0.00 0.00 0.00 0.00 23.12 19.83 3hhx s ALA 180 CO 0.09 -2.00 1.29 0.16 0.00 0.00 0.00 175.76 175.30 3hhx s ASP 181 N -2.51 2.31 0.65 0.00 1.47 0.18 -4.52 116.67 114.25 3hhx s ASP 181 Ca 0.69 0.26 0.31 0.00 1.18 0.00 0.00 52.55 54.99 3hhx s ASP 181 Cb -0.24 -0.27 1.68 0.00 -0.34 0.00 0.00 42.92 43.74 3hhx s ASP 181 CO 0.50 -3.23 1.94 -0.33 0.68 0.00 0.00 175.17 174.72 3hhx h GLU 182 N -1.99 0.00 -0.01 2.11 3.07 -1.90 0.38 114.58 116.25 3hhx h GLU 182 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3hhx h GLU 182 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3hhx h GLU 182 CO 0.32 0.00 -0.42 0.39 -1.40 0.00 0.00 179.01 177.90 3hhx n GLU 183 N -2.87 0.62 -0.73 2.33 -0.58 -1.26 -3.85 120.64 114.29 3hhx n GLU 183 Ca -0.02 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 3hhx n GLU 183 Cb 0.35 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3hhx n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hhx n GLY 184 N 1.41 0.59 3.94 0.62 0.00 0.13 -3.32 105.19 108.55 3hhx n GLY 184 Ca 0.09 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 3hhx n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hhx s ARG 185 N -0.88 3.51 0.00 1.61 0.52 -1.25 -0.31 118.95 122.15 3hhx s ARG 185 Ca 0.00 -0.37 -0.24 0.00 -0.52 0.00 0.00 55.73 54.60 3hhx s ARG 185 Cb 0.00 -2.79 0.05 0.00 0.52 0.00 0.00 34.95 32.74 3hhx s ARG 185 CO 0.00 0.32 0.53 1.52 0.02 0.00 0.00 175.30 177.70 3hhx s TYR 186 N -2.02 -0.46 -0.22 -0.53 1.13 -0.96 -0.64 117.35 113.65 3hhx s TYR 186 Ca 0.39 0.66 -0.04 0.00 -1.41 0.00 0.00 57.07 56.66 3hhx s TYR 186 Cb -0.10 0.32 0.08 0.00 -1.10 0.00 0.00 41.96 41.15 3hhx s TYR 186 CO 0.31 -0.58 0.10 -2.00 -2.51 0.00 0.00 175.55 170.87 3hhx s GLU 187 N -1.80 0.14 -0.17 -3.49 2.12 0.16 -1.95 118.70 113.72 3hhx s GLU 187 Ca -0.09 -0.28 -0.00 0.00 0.36 0.00 0.00 54.97 54.95 3hhx s GLU 187 Cb -0.01 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.80 3hhx s GLU 187 CO 0.03 -0.81 -0.15 0.42 -0.54 0.00 0.00 175.26 174.22 3hhx s ILE 188 N 2.11 2.62 -0.13 -3.70 1.01 0.68 -1.65 121.20 122.14 3hhx s ILE 188 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3hhx s ILE 188 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3hhx s ILE 188 CO -0.20 0.51 0.07 -0.89 0.00 0.00 0.00 174.94 174.42 3hhx s THR 189 N 1.05 4.87 0.00 2.92 2.01 -0.75 0.61 115.64 126.35 3hhx s THR 189 Ca -0.01 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3hhx s THR 189 Cb -0.15 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3hhx s THR 189 CO -0.04 0.56 0.00 1.07 -0.69 0.00 0.00 174.62 175.53 3hhx n THR 190 N 2.52 0.00 -4.07 -0.82 5.66 0.15 -1.62 114.28 116.10 3hhx n THR 190 Ca -0.18 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 3hhx n THR 190 Cb 0.54 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 3hhx n THR 190 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3hhx s ILE 191 N -2.09 4.57 0.04 1.09 -4.36 -1.26 -0.32 121.20 118.86 3hhx s ILE 191 Ca 0.00 -0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 59.41 3hhx s ILE 191 Cb 0.00 -3.17 -0.08 0.00 1.25 0.00 0.00 42.46 40.46 3hhx s ILE 191 CO 0.00 0.19 1.85 -1.58 0.24 0.00 0.00 174.94 175.63 3hhx s GLN 192 N -2.21 4.15 0.74 0.37 2.00 -0.44 -4.58 119.66 119.69 3hhx s GLN 192 Ca 0.28 2.50 -0.12 0.00 -2.00 0.00 0.00 55.36 56.01 3hhx s GLN 192 Cb -0.12 -3.96 0.04 0.00 0.80 0.00 0.00 33.01 29.77 3hhx s GLN 192 CO 0.20 -0.89 1.09 -2.14 -0.50 0.00 0.00 175.29 173.05 3hhx s PRO 193 N 3.87 2.42 0.19 1.67 0.02 -1.26 -4.90 135.00 137.01 3hhx s PRO 193 Ca 0.83 1.22 0.11 0.00 0.02 0.00 0.00 61.00 63.17 3hhx s PRO 193 Cb -0.41 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.15 3hhx s PRO 193 CO 0.37 -1.52 -0.21 0.00 -0.33 0.00 0.00 177.00 175.31 3hhx s ALA 194 N -2.76 2.62 0.50 -1.55 0.00 -1.26 -4.76 121.76 114.55 3hhx s ALA 194 Ca 0.63 -1.61 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 3hhx s ALA 194 Cb -0.18 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 3hhx s ALA 194 CO 0.52 0.44 0.80 -2.30 0.00 0.00 0.00 175.76 175.22 3hhx n PRO 195 N 0.22 0.90 -4.56 0.00 -0.02 -1.26 -4.03 135.00 126.24 3hhx n PRO 195 Ca -0.12 0.33 -0.24 0.00 -2.02 0.00 0.00 63.50 61.45 3hhx n PRO 195 Cb 0.56 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.97 3hhx n PRO 195 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hhx s TYR 196 N -1.48 1.37 -0.25 6.00 5.04 0.28 -4.78 117.35 123.52 3hhx s TYR 196 Ca 0.68 -0.47 -0.15 0.00 -2.44 0.00 0.00 57.07 54.69 3hhx s TYR 196 Cb -0.50 -1.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.77 3hhx s TYR 196 CO 0.54 -0.24 0.35 -1.14 -1.34 0.00 0.00 175.55 173.72 3hhx s GLN 197 N 0.55 4.05 0.76 4.97 0.74 -1.26 0.34 119.66 129.82 3hhx s GLN 197 Ca -0.12 0.03 -0.15 0.00 0.05 0.00 0.00 55.36 55.18 3hhx s GLN 197 Cb -0.14 -3.62 0.03 0.00 1.10 0.00 0.00 33.01 30.38 3hhx s GLN 197 CO 0.03 -0.19 1.02 0.44 -0.55 0.00 0.00 175.29 176.04 3hhx n ILE 198 N 4.87 2.41 -1.72 -2.34 -5.35 -0.43 -4.91 119.36 111.89 3hhx n ILE 198 Ca -0.09 -0.30 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 3hhx n ILE 198 Cb 0.51 -1.11 -0.01 0.00 -1.74 0.00 0.00 39.64 37.28 3hhx n ILE 198 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 3hhx n PRO 199 N -2.34 2.44 0.00 6.28 -0.02 -1.26 -4.90 135.00 135.20 3hhx n PRO 199 Ca 0.13 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3hhx n PRO 199 Cb 0.50 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3hhx n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hhx n THR 200 N 1.47 0.63 1.95 3.45 -2.24 -1.26 -4.14 114.28 114.15 3hhx n THR 200 Ca 0.07 -0.66 0.15 0.00 -2.27 0.00 0.00 64.05 61.33 3hhx n THR 200 Cb 0.36 0.71 0.83 0.00 -2.10 0.00 0.00 70.33 70.13 3hhx n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hhx n ASP 201 N -0.32 0.15 -0.09 3.42 5.68 -1.26 -4.39 116.55 119.73 3hhx n ASP 201 Ca 0.00 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 3hhx n ASP 201 Cb 0.31 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3hhx n ASP 201 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hhx n GLY 202 N 0.98 6.20 0.20 6.12 0.00 -1.26 -5.00 105.19 112.42 3hhx n GLY 202 Ca 0.22 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.59 3hhx n GLY 202 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hhx h PRO 203 N 0.00 0.00 -0.50 1.61 0.13 -1.92 -0.78 132.00 130.54 3hhx h PRO 203 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3hhx h PRO 203 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3hhx h PRO 203 CO 0.00 0.34 0.00 1.15 -0.23 0.00 0.00 178.00 179.26 3hhx h THR 204 N 0.00 1.26 -0.54 1.56 2.02 -1.94 0.68 112.91 115.96 3hhx h THR 204 Ca -0.00 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 65.99 3hhx h THR 204 Cb 0.68 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3hhx h THR 204 CO 0.04 0.38 -0.09 1.23 0.37 0.00 0.00 175.52 177.46 3hhx h GLY 205 N 0.75 1.09 0.83 2.16 0.00 -1.58 -2.07 103.07 104.26 3hhx h GLY 205 Ca 0.14 -0.87 0.03 0.00 0.00 0.00 0.00 47.33 46.63 3hhx h GLY 205 CO 0.03 0.80 0.19 1.46 0.00 0.00 0.00 176.54 179.01 3hhx h GLN 206 N 0.89 0.38 -0.55 4.80 4.20 -1.02 0.15 115.11 123.95 3hhx h GLN 206 Ca 0.14 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3hhx h GLN 206 Cb 0.65 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3hhx h GLN 206 CO 0.04 0.25 0.37 0.35 -0.67 0.00 0.00 178.83 179.17 3hhx h PHE 207 N 0.39 0.62 0.17 2.96 3.57 -0.55 -1.17 116.94 122.93 3hhx h PHE 207 Ca 0.16 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.42 3hhx h PHE 207 Cb 0.06 -0.21 0.03 0.00 2.79 0.00 0.00 35.95 38.62 3hhx h PHE 207 CO -0.10 0.37 -1.08 0.82 -2.23 0.00 0.00 178.31 176.09 3hhx h ILE 208 N 0.65 1.41 -0.48 1.41 2.04 -1.12 -3.30 117.51 118.11 3hhx h ILE 208 Ca 0.22 -2.56 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 3hhx h ILE 208 Cb 0.08 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 3hhx h ILE 208 CO -0.06 0.75 0.25 -0.08 0.00 0.00 0.00 178.15 179.01 3hhx h GLU 209 N -0.11 0.68 0.00 2.37 4.57 -0.70 -1.60 114.58 119.78 3hhx h GLU 209 Ca -0.18 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3hhx h GLU 209 Cb 1.84 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 30.30 3hhx h GLU 209 CO 0.20 0.55 -0.01 0.00 -1.18 0.00 0.00 179.01 178.58 3hhx h ALA 210 N 1.09 1.51 -0.41 2.92 0.00 -1.34 -2.39 119.26 120.64 3hhx h ALA 210 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hhx h ALA 210 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hhx h ALA 210 CO -0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3hhx n GLN 211 N -3.83 3.48 -4.07 0.00 10.64 -1.14 -5.00 117.38 117.46 3hhx n GLN 211 Ca -0.03 -2.80 -0.28 0.00 -1.83 0.00 0.00 57.00 52.06 3hhx n GLN 211 Cb 0.09 -1.85 -0.04 0.00 -0.86 0.00 0.00 30.24 27.58 3hhx n GLN 211 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hhx n ASN 212 N 0.19 -0.38 -2.28 2.61 3.02 -0.90 -5.03 115.26 112.49 3hhx n ASN 212 Ca 0.22 -1.07 -0.02 0.00 -0.03 0.00 0.00 54.58 53.68 3hhx n ASN 212 Cb 0.88 -2.67 0.01 0.00 -0.61 0.00 0.00 39.78 37.39 3hhx n ASN 212 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hhx n GLY 213 N -2.04 1.40 3.27 7.41 0.00 -0.61 -5.05 105.19 109.57 3hhx n GLY 213 Ca -0.27 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 43.47 3hhx n GLY 213 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hhx s HIS 214 N 0.30 1.69 -0.41 1.61 -3.43 -1.26 -4.75 115.29 109.04 3hhx s HIS 214 Ca 0.06 -0.44 0.03 0.00 -0.80 0.00 0.00 55.06 53.91 3hhx s HIS 214 Cb -0.00 -0.92 0.54 0.00 -1.43 0.00 0.00 32.58 30.77 3hhx s HIS 214 CO 0.04 0.20 1.81 -0.35 -2.00 0.00 0.00 174.74 174.44 3hhx n PRO 215 N 0.99 2.11 -4.12 -0.38 -0.04 -1.26 -4.76 135.00 127.53 3hhx n PRO 215 Ca -0.19 -2.58 -0.36 0.00 -0.04 0.00 0.00 63.50 60.33 3hhx n PRO 215 Cb 0.54 -2.01 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 3hhx n PRO 215 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3hhx s TRP 216 N -2.86 3.34 0.03 0.54 0.52 -1.26 -1.31 118.94 117.94 3hhx s TRP 216 Ca 0.49 0.29 0.04 0.00 0.02 0.00 0.00 56.10 56.94 3hhx s TRP 216 Cb 0.41 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 3hhx s TRP 216 CO 0.08 0.51 -0.05 1.03 0.02 0.00 0.00 176.95 178.54 3hhx s ARG 217 N -0.69 2.53 0.88 4.98 0.52 0.15 -2.09 118.95 125.23 3hhx s ARG 217 Ca 0.12 -0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 54.43 3hhx s ARG 217 Cb -0.12 -2.51 0.07 0.00 0.52 0.00 0.00 34.95 32.91 3hhx s ARG 217 CO 0.02 0.58 0.84 -0.35 0.02 0.00 0.00 175.30 176.41 3hhx n PRO 218 N 1.20 -0.15 -1.63 3.54 -0.04 -1.26 -0.55 135.00 136.11 3hhx n PRO 218 Ca -0.14 0.02 -0.53 0.00 -0.04 0.00 0.00 63.50 62.81 3hhx n PRO 218 Cb 0.52 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 3hhx n PRO 218 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hhx n ALA 219 N -3.57 -0.60 -3.27 0.55 0.00 -1.26 -4.23 120.51 108.13 3hhx n ALA 219 Ca 0.10 0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.87 3hhx n ALA 219 Cb 0.52 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 3hhx n ALA 219 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3hhx s HIS 220 N 1.44 -0.35 0.01 0.00 -3.43 -1.26 -4.11 115.29 107.59 3hhx s HIS 220 Ca 0.88 0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 55.59 3hhx s HIS 220 Cb -0.97 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.39 3hhx s HIS 220 CO 0.52 -0.54 0.14 -0.51 -2.00 0.00 0.00 174.74 172.34 3hhx s LEU 221 N -1.66 4.14 -0.10 5.38 1.43 0.02 -4.64 118.68 123.25 3hhx s LEU 221 Ca -0.09 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3hhx s LEU 221 Cb -0.02 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3hhx s LEU 221 CO 0.02 0.25 -0.08 -1.00 0.23 0.00 0.00 176.35 175.76 3hhx s HIS 222 N -1.31 2.90 -0.05 0.29 3.76 -0.23 -0.66 115.29 119.99 3hhx s HIS 222 Ca 0.27 -0.24 -0.08 0.00 -0.15 0.00 0.00 55.06 54.86 3hhx s HIS 222 Cb -0.12 -1.80 0.02 0.00 1.11 0.00 0.00 32.58 31.78 3hhx s HIS 222 CO 0.18 0.09 0.20 -0.51 -0.85 0.00 0.00 174.74 173.85 3hhx s LEU 223 N -0.21 1.26 -0.20 0.89 1.02 -0.43 -1.27 118.68 119.74 3hhx s LEU 223 Ca 0.02 0.25 -0.02 0.00 0.02 0.00 0.00 54.13 54.41 3hhx s LEU 223 Cb -0.13 0.74 0.00 0.00 0.02 0.00 0.00 46.19 46.82 3hhx s LEU 223 CO 0.03 -0.17 -0.11 -0.63 0.02 0.00 0.00 176.35 175.49 3hhx s ILE 224 N -0.33 2.86 -0.16 -0.59 1.01 -0.09 -0.31 121.20 123.60 3hhx s ILE 224 Ca -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3hhx s ILE 224 Cb -0.03 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3hhx s ILE 224 CO 0.01 0.47 -0.08 -0.69 0.00 0.00 0.00 174.94 174.65 3hhx s VAL 225 N 1.30 3.34 0.08 2.92 1.01 0.21 -1.42 120.40 127.83 3hhx s VAL 225 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hhx s VAL 225 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3hhx s VAL 225 CO -0.06 0.49 -0.06 -0.94 0.00 0.00 0.00 175.10 174.53 3hhx s SER 226 N 0.66 0.94 -0.11 3.32 1.04 -0.14 -1.25 113.70 118.16 3hhx s SER 226 Ca -0.05 -0.90 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 3hhx s SER 226 Cb -0.15 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.13 3hhx s SER 226 CO 0.02 -0.43 0.62 0.00 0.98 0.00 0.00 173.24 174.43 3hhx s ALA 227 N -3.18 -1.59 0.24 5.32 0.00 -1.26 -0.16 121.76 121.14 3hhx s ALA 227 Ca 0.06 1.35 -0.31 0.00 0.00 0.00 0.00 51.96 53.06 3hhx s ALA 227 Cb 0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 23.12 22.68 3hhx s ALA 227 CO -0.05 -0.34 1.24 -2.30 0.00 0.00 0.00 175.76 174.32 3hhx n PRO 228 N 1.53 1.65 -1.39 0.00 -0.02 -1.26 -0.76 135.00 134.75 3hhx n PRO 228 Ca -0.18 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 3hhx n PRO 228 Cb 0.56 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 3hhx n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hhx n GLY 229 N 1.77 1.35 3.51 -1.23 0.00 -1.26 -5.00 105.19 104.33 3hhx n GLY 229 Ca 0.11 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3hhx n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhx s LYS 230 N -3.06 1.84 -0.23 1.61 -0.14 0.06 -2.23 119.74 117.59 3hhx s LYS 230 Ca 0.00 -1.38 -0.29 0.00 -1.36 0.00 0.00 55.97 52.94 3hhx s LYS 230 Cb 0.00 -2.03 -0.00 0.00 -1.68 0.00 0.00 37.83 34.12 3hhx s LYS 230 CO 0.00 0.42 1.19 -2.00 -0.76 0.00 0.00 175.35 174.20 3hhx s GLU 231 N -2.79 4.14 0.72 1.68 2.12 0.12 -4.26 118.70 120.44 3hhx s GLU 231 Ca 0.23 1.41 -0.16 0.00 0.36 0.00 0.00 54.97 56.81 3hhx s GLU 231 Cb -0.08 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 3hhx s GLU 231 CO 0.13 -0.81 0.81 0.43 -0.54 0.00 0.00 175.26 175.28 3hhx n SER 232 N 6.82 -0.13 -4.19 -1.70 7.64 -1.26 -3.98 113.62 116.81 3hhx n SER 232 Ca 0.13 0.64 -0.30 0.00 1.01 0.00 0.00 58.87 60.35 3hhx n SER 232 Cb 0.46 -1.34 -0.17 0.00 -1.01 0.00 0.00 64.21 62.15 3hhx n SER 232 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hhx s VAL 233 N -1.87 1.82 -0.25 0.44 0.11 -0.38 -4.94 120.40 115.33 3hhx s VAL 233 Ca 0.70 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 58.77 3hhx s VAL 233 Cb -0.34 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 3hhx s VAL 233 CO 0.53 0.51 0.09 -0.89 -3.33 0.00 0.00 175.10 172.01 3hhx s THR 234 N 0.21 4.54 0.31 5.04 2.01 -1.26 0.66 115.64 127.16 3hhx s THR 234 Ca -0.12 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 3hhx s THR 234 Cb -0.16 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 3hhx s THR 234 CO 0.06 0.34 0.41 0.28 -0.69 0.00 0.00 174.62 175.01 3hhx s THR 235 N 1.51 0.00 -0.00 -0.82 -1.32 0.58 -2.25 115.64 113.34 3hhx s THR 235 Ca 0.06 -1.68 -0.00 0.00 -1.21 0.00 0.00 61.69 58.86 3hhx s THR 235 Cb -0.15 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 3hhx s THR 235 CO 0.05 0.00 0.01 -1.10 -2.21 0.00 0.00 174.62 171.37 3hhx s GLN 236 N -3.36 0.03 -0.07 7.08 -0.21 -1.26 -1.31 119.66 120.55 3hhx s GLN 236 Ca 0.32 -0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.72 3hhx s GLN 236 Cb 0.01 0.01 -0.02 0.00 1.00 0.00 0.00 33.01 34.01 3hhx s GLN 236 CO 0.19 -0.00 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.69 3hhx s LEU 237 N -0.06 2.66 0.46 2.90 1.43 0.17 -4.83 118.68 121.42 3hhx s LEU 237 Ca -0.01 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3hhx s LEU 237 Cb -0.00 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3hhx s LEU 237 CO -0.00 0.30 0.02 -0.31 0.23 0.00 0.00 176.35 176.58 3hhx s TYR 238 N -0.45 2.07 -0.11 0.29 2.02 0.83 -0.80 117.35 121.19 3hhx s TYR 238 Ca 0.05 -0.89 0.02 0.00 -0.37 0.00 0.00 57.07 55.89 3hhx s TYR 238 Cb -0.12 -1.62 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3hhx s TYR 238 CO 0.02 0.25 -0.18 -0.06 -1.57 0.00 0.00 175.55 174.00 3hhx s PHE 239 N -2.87 2.23 0.20 2.71 0.40 -1.26 0.53 117.98 119.92 3hhx s PHE 239 Ca 0.18 -1.03 -0.32 0.00 -0.60 0.00 0.00 56.93 55.15 3hhx s PHE 239 Cb 0.05 -1.55 -0.13 0.00 0.51 0.00 0.00 43.02 41.89 3hhx s PHE 239 CO 0.09 -0.48 1.59 1.17 0.70 0.00 0.00 175.22 178.28 3hhx n LYS 240 N 4.00 2.35 -0.62 0.44 4.81 0.25 -1.12 118.16 128.27 3hhx n LYS 240 Ca -0.20 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3hhx n LYS 240 Cb 0.52 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3hhx n LYS 240 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hhx n GLY 241 N 3.17 1.59 3.73 3.14 0.00 -1.26 -5.00 105.19 110.57 3hhx n GLY 241 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3hhx n GLY 241 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhx s GLY 242 N -1.96 2.11 0.44 -0.02 0.00 -0.27 -4.98 107.32 102.64 3hhx s GLY 242 Ca 0.00 0.66 -0.24 0.00 0.00 0.00 0.00 44.72 45.14 3hhx s GLY 242 CO 0.00 1.05 1.24 1.85 0.00 0.00 0.00 173.10 177.24 3hhx s GLU 243 N -4.19 3.80 -0.48 2.90 2.56 -1.26 -3.68 118.70 118.34 3hhx s GLU 243 Ca 0.69 1.99 0.00 0.00 0.00 0.00 0.00 54.97 57.65 3hhx s GLU 243 Cb -0.24 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.33 3hhx s GLU 243 CO 0.47 -0.58 0.00 0.91 -0.56 0.00 0.00 175.26 175.50 3hhx n TRP 244 N -0.24 0.00 0.09 5.30 7.02 -1.26 -4.21 117.44 124.14 3hhx n TRP 244 Ca 0.06 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.52 3hhx n TRP 244 Cb 0.46 -1.77 0.22 0.00 -2.42 0.00 0.00 31.31 27.79 3hhx n TRP 244 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3hhx h ILE 245 N 0.00 1.31 0.00 -0.99 2.04 -1.96 -1.00 117.51 116.91 3hhx h ILE 245 Ca -0.09 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3hhx h ILE 245 Cb 0.78 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3hhx h ILE 245 CO 0.14 0.46 -0.16 -2.24 0.00 0.00 0.00 178.15 176.34 3hhx h ASP 246 N 0.22 0.00 -0.86 1.72 2.03 -1.89 -3.35 116.42 114.27 3hhx h ASP 246 Ca 0.02 -0.05 -0.42 0.00 -0.73 0.00 0.00 57.03 55.85 3hhx h ASP 246 Cb 0.83 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.91 3hhx h ASP 246 CO 0.07 0.02 -0.98 -1.54 -1.03 0.00 0.00 179.24 175.78 3hhx n SER 247 N -2.30 3.05 -4.70 4.15 3.41 -0.81 -5.08 113.62 111.34 3hhx n SER 247 Ca 0.05 -2.97 -0.43 0.00 -0.26 0.00 0.00 58.87 55.25 3hhx n SER 247 Cb 0.44 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3hhx n SER 247 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hhx n ASP 248 N -0.48 3.69 0.12 4.04 2.03 -0.44 -4.88 116.55 120.62 3hhx n ASP 248 Ca 0.24 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.61 3hhx n ASP 248 Cb 0.82 -1.52 0.30 0.00 -0.72 0.00 0.00 41.12 40.00 3hhx n ASP 248 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3hhx h VAL 249 N 3.78 1.26 -0.00 5.18 3.04 -1.72 -2.41 116.25 125.39 3hhx h VAL 249 Ca -0.44 -1.26 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 3hhx h VAL 249 Cb 1.22 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 3hhx h VAL 249 CO 0.93 0.38 -0.02 0.00 -1.01 0.00 0.00 177.57 177.85 3hhx n ALA 250 N -2.48 2.65 -3.93 3.17 0.00 -1.26 -4.76 120.51 113.91 3hhx n ALA 250 Ca -0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 3hhx n ALA 250 Cb 0.40 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 3hhx n ALA 250 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hhx n SER 251 N -0.90 -4.01 -0.54 0.00 7.64 -0.91 -4.67 113.62 110.24 3hhx n SER 251 Ca 0.20 -0.80 0.05 0.00 1.01 0.00 0.00 58.87 59.34 3hhx n SER 251 Cb 0.19 -3.25 0.13 0.00 -1.01 0.00 0.00 64.21 60.27 3hhx n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhx n ALA 252 N -4.32 2.16 -2.59 -0.43 0.00 -1.26 -4.88 120.51 109.19 3hhx n ALA 252 Ca 0.05 -1.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.01 3hhx n ALA 252 Cb 0.51 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 3hhx n ALA 252 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hhx s THR 253 N -0.99 5.14 0.03 0.00 -4.23 -1.26 -4.75 115.64 109.57 3hhx s THR 253 Ca 0.19 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.44 3hhx s THR 253 Cb 0.10 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 3hhx s THR 253 CO 0.13 0.57 -0.17 -0.54 -0.54 0.00 0.00 174.62 174.07 3hhx s LYS 254 N -1.12 1.18 0.29 3.99 1.02 -1.26 -5.05 119.74 118.80 3hhx s LYS 254 Ca 0.22 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.48 3hhx s LYS 254 Cb -0.16 -1.22 0.67 0.00 -0.52 0.00 0.00 37.83 36.61 3hhx s LYS 254 CO 0.12 0.31 1.80 -1.35 -0.92 0.00 0.00 175.35 175.31 3hhx h PRO 255 N 5.11 0.82 0.00 -1.68 0.11 -1.99 -1.17 132.00 133.20 3hhx h PRO 255 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hhx h PRO 255 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hhx h PRO 255 CO 0.45 0.54 0.00 0.93 -0.21 0.00 0.00 178.00 179.71 3hhx h GLU 256 N 0.85 0.00 -0.47 1.05 3.07 -2.01 -2.78 114.58 114.29 3hhx h GLU 256 Ca 0.55 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3hhx h GLU 256 Cb 0.75 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3hhx h GLU 256 CO -0.34 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.55 3hhx n LEU 257 N -2.72 5.13 -4.57 1.33 4.77 -0.44 -4.94 117.00 115.56 3hhx n LEU 257 Ca -0.01 -2.97 -0.36 0.00 -0.03 0.00 0.00 56.01 52.64 3hhx n LEU 257 Cb 0.12 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.46 3hhx n LEU 257 CO 0.18 0.65 -0.24 -0.63 -1.33 0.00 0.00 177.39 176.02 3hhx s ILE 258 N -2.80 4.79 0.17 -0.08 1.01 -1.05 -0.12 121.20 123.12 3hhx s ILE 258 Ca 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 3hhx s ILE 258 Cb 0.39 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.59 3hhx s ILE 258 CO 0.14 0.38 0.46 -0.76 0.00 0.00 0.00 174.94 175.15 3hhx s LEU 259 N 1.05 4.24 -0.60 2.97 1.43 0.19 -4.84 118.68 123.12 3hhx s LEU 259 Ca 0.05 0.78 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 3hhx s LEU 259 Cb -0.14 -3.42 0.19 0.00 0.03 0.00 0.00 46.19 42.85 3hhx s LEU 259 CO 0.04 0.02 0.51 -0.67 0.23 0.00 0.00 176.35 176.47 3hhx n ASP 260 N 0.14 2.11 -4.79 2.29 2.03 -1.26 0.88 116.55 117.95 3hhx n ASP 260 Ca -0.02 -3.02 -0.35 0.00 0.52 0.00 0.00 54.79 51.92 3hhx n ASP 260 Cb 0.52 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 3hhx n ASP 260 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3hhx s PRO 261 N -1.29 3.78 -0.07 -0.67 0.02 -1.26 -4.95 135.00 130.56 3hhx s PRO 261 Ca 0.31 1.46 -0.01 0.00 0.02 0.00 0.00 61.00 62.78 3hhx s PRO 261 Cb 0.03 -2.18 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 3hhx s PRO 261 CO -0.14 -0.47 -0.01 0.15 -0.33 0.00 0.00 177.00 176.20 3hhx s LYS 262 N -3.08 2.90 0.01 5.54 -0.14 -0.09 -4.83 119.74 120.06 3hhx s LYS 262 Ca 0.66 -0.47 -0.27 0.00 -1.36 0.00 0.00 55.97 54.54 3hhx s LYS 262 Cb -0.20 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.18 3hhx s LYS 262 CO 0.23 0.68 0.84 0.99 -0.76 0.00 0.00 175.35 177.34 3hhx s THR 263 N -0.91 4.83 0.87 2.17 2.01 -1.26 -0.41 115.64 122.94 3hhx s THR 263 Ca 0.14 1.77 -0.13 0.00 0.31 0.00 0.00 61.69 63.79 3hhx s THR 263 Cb -0.11 -4.19 0.15 0.00 0.01 0.00 0.00 72.50 68.36 3hhx s THR 263 CO 0.04 0.26 1.22 -0.83 -0.69 0.00 0.00 174.62 174.62 3hhx s GLY 264 N 0.51 1.72 0.17 4.40 0.00 0.41 -4.93 107.32 109.60 3hhx s GLY 264 Ca 0.44 -1.07 0.25 0.00 0.00 0.00 0.00 44.72 44.33 3hhx s GLY 264 CO 0.24 -0.43 1.55 1.22 0.00 0.00 0.00 173.10 175.68 3hhx n ASP 265 N -3.48 0.78 0.00 1.64 9.92 -1.26 -1.48 116.55 122.67 3hhx n ASP 265 Ca 0.13 0.36 0.09 0.00 -0.53 0.00 0.00 54.79 54.83 3hhx n ASP 265 Cb 0.60 -0.34 0.52 0.00 -0.64 0.00 0.00 41.12 41.26 3hhx n ASP 265 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3hhx n ASP 266 N -2.21 0.00 -0.52 -2.24 3.85 -1.26 -4.92 116.55 109.26 3hhx n ASP 266 Ca 0.04 -0.99 -0.07 0.00 -0.71 0.00 0.00 54.79 53.07 3hhx n ASP 266 Cb 0.44 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.18 3hhx n ASP 266 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hhx n GLY 267 N 0.46 0.78 3.86 6.12 0.00 -0.55 -5.02 105.19 110.85 3hhx n GLY 267 Ca 0.13 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3hhx n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhx s LYS 268 N -2.24 3.88 -0.07 1.61 1.02 -1.26 -4.70 119.74 117.99 3hhx s LYS 268 Ca 0.00 0.39 -0.24 0.00 0.02 0.00 0.00 55.97 56.14 3hhx s LYS 268 Cb 0.00 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3hhx s LYS 268 CO 0.00 0.31 0.72 -0.80 -0.92 0.00 0.00 175.35 174.67 3hhx s ASN 269 N -2.23 7.01 -0.11 2.83 0.02 -0.40 -0.44 114.94 121.62 3hhx s ASN 269 Ca 0.47 1.22 0.02 0.00 -1.02 0.00 0.00 52.86 53.55 3hhx s ASN 269 Cb -0.12 -2.42 -0.01 0.00 0.02 0.00 0.00 41.25 38.72 3hhx s ASN 269 CO 0.20 -0.14 -0.17 -0.31 0.02 0.00 0.00 177.10 176.71 3hhx s TYR 270 N 0.87 2.71 -0.09 2.20 1.51 0.45 -0.32 117.35 124.68 3hhx s TYR 270 Ca 0.39 -0.68 -0.19 0.00 -1.01 0.00 0.00 57.07 55.57 3hhx s TYR 270 Cb -0.18 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.94 3hhx s TYR 270 CO 0.19 -0.21 0.46 0.54 -1.11 0.00 0.00 175.55 175.42 3hhx s VAL 271 N 0.18 0.02 -0.11 0.71 0.11 -0.59 -0.91 120.40 119.81 3hhx s VAL 271 Ca -0.09 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3hhx s VAL 271 Cb -0.16 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 3hhx s VAL 271 CO 0.06 -0.10 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.64 3hhx s THR 272 N -0.69 2.46 -0.03 5.04 2.01 -1.26 -0.20 115.64 122.97 3hhx s THR 272 Ca -0.08 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 3hhx s THR 272 Cb -0.03 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.53 3hhx s THR 272 CO 0.04 0.55 0.05 -0.47 -0.69 0.00 0.00 174.62 174.10 3hhx s TYR 273 N 0.33 -0.01 -0.10 4.92 6.14 0.16 -4.94 117.35 123.86 3hhx s TYR 273 Ca -0.16 0.18 -0.08 0.00 0.64 0.00 0.00 57.07 57.66 3hhx s TYR 273 Cb -0.17 -0.18 -0.04 0.00 0.42 0.00 0.00 41.96 41.99 3hhx s TYR 273 CO 0.08 -0.09 0.18 -0.80 0.64 0.00 0.00 175.55 175.55 3hhx s ASN 274 N 0.95 6.44 -0.06 4.32 0.02 -1.26 -3.78 114.94 121.58 3hhx s ASN 274 Ca -0.08 0.53 -0.07 0.00 -1.02 0.00 0.00 52.86 52.22 3hhx s ASN 274 Cb -0.11 -2.09 -0.04 0.00 0.02 0.00 0.00 41.25 39.03 3hhx s ASN 274 CO -0.03 0.39 0.21 -0.36 0.02 0.00 0.00 177.10 177.33 3hhx s PHE 275 N -1.05 3.60 -0.24 2.20 0.40 0.09 -4.94 117.98 118.04 3hhx s PHE 275 Ca 0.17 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 3hhx s PHE 275 Cb -0.13 -1.98 0.06 0.00 0.51 0.00 0.00 43.02 41.49 3hhx s PHE 275 CO 0.06 0.68 -0.03 0.08 0.70 0.00 0.00 175.22 176.71 3hhx s VAL 276 N -1.15 1.44 -0.07 -0.44 1.01 -1.26 0.05 120.40 119.99 3hhx s VAL 276 Ca 0.21 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 3hhx s VAL 276 Cb -0.13 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3hhx s VAL 276 CO 0.10 -0.16 0.24 -0.76 0.00 0.00 0.00 175.10 174.52 3hhx s LEU 277 N 1.42 4.42 0.60 3.92 1.43 -0.51 -0.90 118.68 129.05 3hhx s LEU 277 Ca -0.04 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 3hhx s LEU 277 Cb -0.19 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3hhx s LEU 277 CO -0.07 0.36 1.02 -1.81 0.23 0.00 0.00 176.35 176.08 3hhx s ASP 278 N -1.13 6.31 0.33 2.29 1.01 -1.26 -3.51 116.67 120.71 3hhx s ASP 278 Ca 0.19 1.46 -0.27 0.00 0.71 0.00 0.00 52.55 54.64 3hhx s ASP 278 Cb -0.14 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 3hhx s ASP 278 CO 0.08 -0.81 1.08 -2.16 0.21 0.00 0.00 175.17 173.58 3hhx s PRO 279 N -4.93 4.45 0.00 8.23 0.04 -1.26 0.15 135.00 141.67 3hhx s PRO 279 Ca 0.56 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.35 3hhx s PRO 279 Cb -0.11 -2.94 0.33 0.00 0.04 0.00 0.00 34.50 31.82 3hhx s PRO 279 CO 0.49 0.07 0.80 0.00 0.04 0.00 0.00 177.00 178.39