#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hft h TYR 16 N 0.00 0.76 0.00 -1.55 3.20 -2.02 0.65 116.97 118.01 3hft h TYR 16 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hft h TYR 16 Cb 0.00 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3hft h TYR 16 CO 0.00 0.04 -0.05 -0.44 -1.64 0.00 0.00 178.16 176.06 3hft h ASP 17 N 0.43 0.00 -0.27 -2.11 5.19 -2.03 -3.23 116.42 114.40 3hft h ASP 17 Ca 0.63 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 56.32 3hft h ASP 17 Cb 1.50 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.95 3hft h ASP 17 CO -0.36 0.05 2.90 0.59 -3.12 0.00 0.00 179.24 179.30 3hft n ASN 18 N -3.27 4.13 0.11 6.45 4.13 0.23 -4.76 115.26 122.28 3hft n ASN 18 Ca -0.01 -2.88 -0.03 0.00 1.68 0.00 0.00 54.58 53.34 3hft n ASN 18 Cb 0.24 -1.65 0.14 0.00 -1.54 0.00 0.00 39.78 36.97 3hft n ASN 18 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 3hft h LYS 19 N 6.14 0.12 -5.75 3.52 3.64 -1.75 -3.44 116.57 119.04 3hft h LYS 19 Ca 0.53 -0.09 -0.60 0.00 -1.27 0.00 0.00 60.65 59.23 3hft h LYS 19 Cb 0.66 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 3hft h LYS 19 CO 1.81 0.71 -0.23 -0.06 -2.27 0.00 0.00 179.45 179.40 3hft s PHE 20 N -3.66 3.58 0.21 1.91 0.08 -1.26 -0.69 117.98 118.15 3hft s PHE 20 Ca -0.03 0.82 -0.00 0.00 0.12 0.00 0.00 56.93 57.84 3hft s PHE 20 Cb 0.12 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3hft s PHE 20 CO 0.78 0.38 0.12 0.00 -0.10 0.00 0.00 175.22 176.40 3hft s ALA 21 N -0.09 1.31 0.22 5.36 0.00 -0.31 -4.49 121.76 123.76 3hft s ALA 21 Ca 0.22 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 3hft s ALA 21 Cb -0.15 1.26 -0.06 0.00 0.00 0.00 0.00 23.12 24.17 3hft s ALA 21 CO 0.09 -0.55 0.49 1.03 0.00 0.00 0.00 175.76 176.82 3hft s ARG 22 N -4.12 3.67 0.27 0.00 0.52 -1.26 -4.29 118.95 113.75 3hft s ARG 22 Ca 0.38 0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.62 3hft s ARG 22 Cb 0.07 -2.72 0.49 0.00 0.52 0.00 0.00 34.95 33.32 3hft s ARG 22 CO 0.12 0.33 1.83 0.82 0.02 0.00 0.00 175.30 178.42 3hft h ILE 23 N 1.77 0.92 0.00 1.52 1.08 -1.92 -0.54 117.51 120.34 3hft h ILE 23 Ca -0.47 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3hft h ILE 23 Cb 1.18 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3hft h ILE 23 CO 0.69 0.17 0.00 -1.54 -0.69 0.00 0.00 178.15 176.78 3hft n SER 24 N -4.67 0.00 0.04 1.72 3.41 -1.26 -1.71 113.62 111.15 3hft n SER 24 Ca 0.17 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.58 3hft n SER 24 Cb 0.32 -0.09 0.49 0.00 -0.26 0.00 0.00 64.21 64.67 3hft n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hft n ASP 25 N -1.09 0.34 -4.68 4.04 8.00 -0.21 -4.82 116.55 118.13 3hft n ASP 25 Ca 0.11 0.43 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3hft n ASP 25 Cb 0.08 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 3hft n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hft s ILE 26 N -3.04 3.50 -0.29 0.53 1.01 -0.69 -4.88 121.20 117.34 3hft s ILE 26 Ca 0.12 0.84 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3hft s ILE 26 Cb 0.16 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 39.16 3hft s ILE 26 CO 0.58 -0.02 -0.04 -0.62 0.00 0.00 0.00 174.94 174.83 3hft s ASP 27 N 2.39 4.64 0.61 3.58 -1.08 -1.26 -4.99 116.67 120.57 3hft s ASP 27 Ca 0.69 -1.55 0.33 0.00 -0.52 0.00 0.00 52.55 51.50 3hft s ASP 27 Cb -0.34 -1.61 1.92 0.00 -1.46 0.00 0.00 42.92 41.43 3hft s ASP 27 CO 0.28 -0.26 2.22 -0.29 0.52 0.00 0.00 175.17 177.65 3hft h ILE 28 N 6.66 0.35 -0.01 4.11 6.09 -1.98 0.36 117.51 133.09 3hft h ILE 28 Ca -0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3hft h ILE 28 Cb 1.04 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.26 3hft h ILE 28 CO 0.50 0.00 -0.05 0.59 -3.07 0.00 0.00 178.15 176.12 3hft n ASN 29 N -3.59 0.78 -3.47 2.19 3.02 -1.26 -4.65 115.26 108.28 3hft n ASN 29 Ca -0.02 -1.06 -0.28 0.00 -0.03 0.00 0.00 54.58 53.20 3hft n ASN 29 Cb 0.17 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.20 3hft n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hft s GLN 30 N -2.18 0.47 0.62 3.52 -1.52 0.12 -5.00 119.66 115.69 3hft s GLN 30 Ca 0.37 -1.10 0.33 0.00 -1.95 0.00 0.00 55.36 53.00 3hft s GLN 30 Cb 0.21 -1.21 1.84 0.00 -0.22 0.00 0.00 33.01 33.63 3hft s GLN 30 CO 0.40 -1.17 2.14 -1.35 -0.25 0.00 0.00 175.29 175.07 3hft h PRO 31 N 7.34 0.00 -0.03 2.91 0.11 -1.83 0.31 132.00 140.81 3hft h PRO 31 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3hft h PRO 31 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hft h PRO 31 CO 0.30 0.00 0.06 0.93 -0.21 0.00 0.00 178.00 179.08 3hft h GLU 32 N 0.00 0.00 0.00 1.05 5.08 -1.92 0.22 114.58 119.01 3hft h GLU 32 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hft h GLU 32 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hft h GLU 32 CO -0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 3hft n SER 33 N -3.45 0.60 0.00 1.42 3.41 0.10 -4.24 113.62 111.45 3hft n SER 33 Ca -0.02 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3hft n SER 33 Cb 0.14 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3hft n SER 33 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3hft n TRP 34 N -2.13 0.00 -1.92 7.33 2.14 -0.51 -4.58 117.44 117.78 3hft n TRP 34 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 3hft n TRP 34 Cb 0.28 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.75 3hft n TRP 34 CO 0.00 0.00 0.00 0.50 2.07 0.00 0.00 177.69 180.26 3hft s ARG 35 N -0.81 4.18 0.00 -2.67 3.52 -0.05 -1.56 118.95 121.56 3hft s ARG 35 Ca 0.00 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.92 3hft s ARG 35 Cb 0.00 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 3hft s ARG 35 CO 0.00 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 174.06 3hft n GLY 36 N 4.18 0.65 3.95 8.12 0.00 0.72 -4.91 105.19 117.90 3hft n GLY 36 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3hft n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hft s ARG 37 N -0.30 3.27 -0.13 1.61 0.52 -0.60 -4.88 118.95 118.44 3hft s ARG 37 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 3hft s ARG 37 Cb 0.00 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.85 3hft s ARG 37 CO 0.00 -0.08 -0.14 0.42 0.02 0.00 0.00 175.30 175.52 3hft s ILE 38 N -2.45 2.94 -0.37 1.52 1.01 0.13 -2.33 121.20 121.66 3hft s ILE 38 Ca 0.45 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3hft s ILE 38 Cb -0.10 -2.23 0.10 0.00 0.01 0.00 0.00 42.46 40.25 3hft s ILE 38 CO 0.37 0.53 0.11 -0.36 0.00 0.00 0.00 174.94 175.58 3hft s PHE 39 N 0.38 3.70 -0.06 3.97 0.40 0.70 -1.17 117.98 125.91 3hft s PHE 39 Ca -0.11 -2.82 -0.30 0.00 -0.60 0.00 0.00 56.93 53.10 3hft s PHE 39 Cb -0.16 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 3hft s PHE 39 CO 0.06 -0.95 1.04 -0.51 0.70 0.00 0.00 175.22 175.55 3hft s LEU 40 N 0.95 4.29 0.04 -0.37 1.43 -1.26 -1.66 118.68 122.09 3hft s LEU 40 Ca 0.10 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.90 3hft s LEU 40 Cb -0.20 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 3hft s LEU 40 CO -0.07 -0.41 -0.18 0.42 0.23 0.00 0.00 176.35 176.34 3hft s THR 41 N 1.71 1.40 -0.17 5.49 -4.23 0.02 -1.40 115.64 118.46 3hft s THR 41 Ca 0.51 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3hft s THR 41 Cb -0.20 -1.24 0.04 0.00 1.34 0.00 0.00 72.50 72.44 3hft s THR 41 CO 0.22 0.12 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.00 3hft s PHE 42 N -0.80 1.85 -0.48 3.99 0.08 -0.27 -0.80 117.98 121.55 3hft s PHE 42 Ca 0.05 -1.18 -0.23 0.00 0.12 0.00 0.00 56.93 55.69 3hft s PHE 42 Cb -0.08 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 3hft s PHE 42 CO 0.01 -0.64 0.79 -0.51 -0.10 0.00 0.00 175.22 174.77 3hft s ASP 43 N 1.58 6.36 0.30 1.36 1.01 -0.80 0.15 116.67 126.63 3hft s ASP 43 Ca 0.01 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 52.97 3hft s ASP 43 Cb -0.15 -2.38 0.47 0.00 1.01 0.00 0.00 42.92 41.86 3hft s ASP 43 CO -0.08 -0.98 1.83 0.40 0.21 0.00 0.00 175.17 176.55 3hft h ILE 44 N 5.97 1.22 -6.69 0.77 2.04 -1.74 -3.38 117.51 115.70 3hft h ILE 44 Ca -0.26 -0.85 -0.54 0.00 1.00 0.00 0.00 64.86 64.21 3hft h ILE 44 Cb 1.08 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 3hft h ILE 44 CO 0.99 0.30 -0.92 0.47 0.00 0.00 0.00 178.15 178.99 3hft n ASP 45 N -4.26 -0.47 -1.91 1.72 9.92 -1.26 -2.30 116.55 117.99 3hft n ASP 45 Ca 0.02 -1.11 -0.20 0.00 -0.53 0.00 0.00 54.79 52.97 3hft n ASP 45 Cb 0.25 -2.54 -0.06 0.00 -0.64 0.00 0.00 41.12 38.14 3hft n ASP 45 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 3hft n TRP 46 N -4.49 -0.43 -1.71 1.24 8.01 -1.26 -4.94 117.44 113.87 3hft n TRP 46 Ca -0.29 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.49 3hft n TRP 46 Cb 0.68 -3.59 0.01 0.00 -2.01 0.00 0.00 31.31 26.39 3hft n TRP 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3hft n ALA 47 N 0.00 1.48 -1.28 6.99 0.00 -0.97 -4.96 120.51 121.77 3hft n ALA 47 Ca -0.22 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 3hft n ALA 47 Cb 0.67 -2.29 0.11 0.00 0.00 0.00 0.00 19.45 17.94 3hft n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hft n ALA 48 N -0.04 0.20 -0.34 0.00 0.00 -1.26 -4.71 120.51 114.36 3hft n ALA 48 Ca 0.05 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.32 3hft n ALA 48 Cb 0.39 -2.24 0.23 0.00 0.00 0.00 0.00 19.45 17.82 3hft n ALA 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hft h ASP 49 N -0.48 0.85 0.00 0.00 3.32 -1.97 -1.28 116.42 116.85 3hft h ASP 49 Ca -0.47 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3hft h ASP 49 Cb 1.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3hft h ASP 49 CO 0.48 0.44 -0.24 2.19 -1.72 0.00 0.00 179.24 180.39 3hft h PHE 50 N 0.92 0.43 -0.12 4.55 -0.00 -1.99 0.20 116.94 120.94 3hft h PHE 50 Ca 0.48 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.97 58.32 3hft h PHE 50 Cb 0.49 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 36.33 3hft h PHE 50 CO -0.02 0.61 -0.09 0.28 -0.00 0.00 0.00 178.31 179.09 3hft h VAL 51 N 0.35 1.34 -0.62 0.88 2.07 -1.71 -2.37 116.25 116.19 3hft h VAL 51 Ca 0.05 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 3hft h VAL 51 Cb 0.62 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3hft h VAL 51 CO 0.04 0.34 0.16 0.25 0.02 0.00 0.00 177.57 178.38 3hft h LEU 52 N -0.11 0.93 -1.20 2.57 5.85 -0.99 -2.67 115.31 119.69 3hft h LEU 52 Ca 0.02 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3hft h LEU 52 Cb 0.58 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hft h LEU 52 CO 0.02 0.92 0.55 -0.61 -0.34 0.00 0.00 178.44 178.98 3hft h GLN 53 N 0.90 0.99 -0.60 1.25 5.75 -0.60 -0.64 115.11 122.15 3hft h GLN 53 Ca 0.19 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 3hft h GLN 53 Cb 0.35 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3hft h GLN 53 CO 0.00 0.65 0.14 0.22 -2.65 0.00 0.00 178.83 177.19 3hft h ASP 54 N 1.02 0.92 -0.10 -0.69 3.58 -1.10 0.13 116.42 120.18 3hft h ASP 54 Ca 0.34 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 3hft h ASP 54 Cb 0.08 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 3hft h ASP 54 CO -0.11 0.92 0.00 0.74 -2.88 0.00 0.00 179.24 177.92 3hft h THR 55 N 0.88 1.24 -0.55 2.25 2.02 -1.10 -2.07 112.91 115.59 3hft h THR 55 Ca 0.19 -0.77 0.11 0.00 0.77 0.00 0.00 66.41 66.70 3hft h THR 55 Cb 0.37 1.55 -0.09 0.00 -1.74 0.00 0.00 68.15 68.24 3hft h THR 55 CO 0.00 0.22 0.05 0.40 0.37 0.00 0.00 175.52 176.56 3hft h ILE 56 N -0.08 0.61 -0.96 3.11 2.04 -1.00 -2.17 117.51 119.06 3hft h ILE 56 Ca 0.03 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3hft h ILE 56 Cb 0.34 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3hft h ILE 56 CO 0.00 0.03 0.63 0.44 0.00 0.00 0.00 178.15 179.26 3hft h ASP 57 N 0.17 1.08 -0.27 1.72 3.32 -0.83 0.95 116.42 122.55 3hft h ASP 57 Ca 0.28 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3hft h ASP 57 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hft h ASP 57 CO -0.42 0.77 0.07 0.25 -1.72 0.00 0.00 179.24 178.19 3hft h LEU 58 N 1.27 0.41 -0.23 1.55 5.85 -0.88 0.07 115.31 123.36 3hft h LEU 58 Ca 0.36 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3hft h LEU 58 Cb -0.10 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 3hft h LEU 58 CO -0.09 0.53 -0.29 0.40 -0.34 0.00 0.00 178.44 178.65 3hft h ILE 59 N 0.28 1.32 -0.96 4.05 1.08 -1.15 -2.94 117.51 119.19 3hft h ILE 59 Ca 0.09 -1.48 0.07 0.00 -0.39 0.00 0.00 64.86 63.14 3hft h ILE 59 Cb 0.28 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 35.69 3hft h ILE 59 CO 0.00 0.46 0.62 -0.33 -0.69 0.00 0.00 178.15 178.21 3hft h GLU 60 N 0.31 1.08 0.00 2.37 5.08 -0.78 -1.61 114.58 121.03 3hft h GLU 60 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3hft h GLU 60 Cb 0.86 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hft h GLU 60 CO 0.07 0.71 -0.10 0.78 -1.00 0.00 0.00 179.01 179.48 3hft h GLY 61 N 1.11 0.00 1.87 -3.84 0.00 -0.86 -1.68 103.07 99.67 3hft h GLY 61 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.67 3hft h GLY 61 CO -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 175.91 3hft h ALA 62 N 1.90 0.75 -1.30 3.60 0.00 -1.15 -3.48 119.26 119.57 3hft h ALA 62 Ca -0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 3hft h ALA 62 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hft h ALA 62 CO 0.01 0.46 -0.24 0.41 0.00 0.00 0.00 179.25 179.90 3hft n GLY 63 N 1.21 0.02 3.79 0.00 0.00 -0.63 -5.04 105.19 104.54 3hft n GLY 63 Ca 0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 3hft n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hft s VAL 64 N -2.46 3.68 0.68 1.61 -7.23 -1.24 -5.08 120.40 110.36 3hft s VAL 64 Ca 0.00 -1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 58.51 3hft s VAL 64 Cb 0.00 -3.16 0.01 0.00 0.56 0.00 0.00 36.38 33.79 3hft s VAL 64 CO 0.00 -0.25 1.12 0.00 -0.31 0.00 0.00 175.10 175.65 3hft s ALA 66 N -2.38 -1.79 -0.04 0.00 0.00 -0.90 -4.64 121.76 112.01 3hft s ALA 66 Ca 0.67 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.75 3hft s ALA 66 Cb -0.21 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3hft s ALA 66 CO 0.44 -0.60 -0.25 0.99 0.00 0.00 0.00 175.76 176.33 3hft s THR 67 N -2.66 2.06 -0.12 0.00 2.01 -0.49 -1.18 115.64 115.27 3hft s THR 67 Ca 0.01 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 60.94 3hft s THR 67 Cb -0.01 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.79 3hft s THR 67 CO -0.06 0.58 -0.15 0.26 -0.69 0.00 0.00 174.62 174.56 3hft s TRP 68 N -0.39 2.02 -0.39 4.92 0.52 0.09 -1.11 118.94 124.62 3hft s TRP 68 Ca 0.03 -1.01 -0.14 0.00 0.02 0.00 0.00 56.10 55.00 3hft s TRP 68 Cb -0.12 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.74 3hft s TRP 68 CO 0.01 -0.54 0.28 -0.06 0.02 0.00 0.00 176.95 176.67 3hft s PHE 69 N 1.15 3.24 0.11 -1.98 0.08 0.12 -0.08 117.98 120.63 3hft s PHE 69 Ca -0.03 -0.46 -0.27 0.00 0.12 0.00 0.00 56.93 56.30 3hft s PHE 69 Cb -0.14 -2.56 -0.07 0.00 -0.57 0.00 0.00 43.02 39.68 3hft s PHE 69 CO -0.04 -0.51 0.82 0.00 -0.10 0.00 0.00 175.22 175.39 3hft s ALA 70 N 1.70 3.37 -0.14 5.36 0.00 -0.18 -2.21 121.76 129.67 3hft s ALA 70 Ca 0.06 0.40 0.17 0.00 0.00 0.00 0.00 51.96 52.58 3hft s ALA 70 Cb -0.18 -3.06 -0.24 0.00 0.00 0.00 0.00 23.12 19.64 3hft s ALA 70 CO 0.10 0.13 0.15 0.25 0.00 0.00 0.00 175.76 176.39 3hft n THR 71 N 2.30 0.93 -3.81 0.00 -2.24 -1.26 -0.38 114.28 109.82 3hft n THR 71 Ca -0.02 -0.68 -0.08 0.00 -2.27 0.00 0.00 64.05 60.99 3hft n THR 71 Cb 0.49 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 3hft n THR 71 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3hft s HIS 72 N -2.65 -0.11 0.02 4.78 -3.43 -1.26 -4.95 115.29 107.69 3hft s HIS 72 Ca -0.08 -0.28 -0.27 0.00 -0.80 0.00 0.00 55.06 53.62 3hft s HIS 72 Cb 0.07 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.70 3hft s HIS 72 CO 0.75 -1.08 0.87 0.45 -2.00 0.00 0.00 174.74 173.73 3hft s SER 73 N -2.91 7.29 -0.12 7.38 0.15 -1.26 -5.00 113.70 119.23 3hft s SER 73 Ca 0.12 1.55 -0.23 0.00 0.70 0.00 0.00 55.95 58.08 3hft s SER 73 Cb -0.03 -2.52 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 3hft s SER 73 CO 0.03 -0.12 0.57 0.28 1.20 0.00 0.00 173.24 175.20 3hft s THR 74 N 0.47 0.01 0.16 6.45 -1.32 -1.26 -5.03 115.64 115.13 3hft s THR 74 Ca 0.45 -0.09 0.31 0.00 -1.21 0.00 0.00 61.69 61.15 3hft s THR 74 Cb -0.21 -0.84 0.31 0.00 -1.51 0.00 0.00 72.50 70.24 3hft s THR 74 CO 0.25 -0.05 1.93 1.55 -2.21 0.00 0.00 174.62 176.10 3hft h PRO 75 N 4.21 0.00 0.00 7.08 0.13 -2.04 -1.74 132.00 139.64 3hft h PRO 75 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hft h PRO 75 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hft h PRO 75 CO 0.27 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 177.97 3hft h LEU 76 N 0.00 0.00 -1.80 1.56 3.38 -1.99 -1.75 115.31 114.72 3hft h LEU 76 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hft h LEU 76 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hft h LEU 76 CO 0.00 0.00 0.08 -0.07 0.09 0.00 0.00 178.44 178.54 3hft h LEU 77 N 0.00 0.18 -1.13 1.67 3.38 -1.70 -1.57 115.31 116.15 3hft h LEU 77 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hft h LEU 77 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hft h LEU 77 CO 0.00 0.16 -0.24 -0.08 0.09 0.00 0.00 178.44 178.36 3hft h GLU 78 N 0.21 0.32 -0.53 1.13 4.57 -1.51 0.09 114.58 118.86 3hft h GLU 78 Ca 0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3hft h GLU 78 Cb 0.02 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3hft h GLU 78 CO -0.01 0.54 0.35 -0.91 -1.18 0.00 0.00 179.01 177.81 3hft h ASN 79 N 0.29 0.62 -0.15 1.04 4.21 -1.39 -1.02 115.58 119.17 3hft h ASN 79 Ca 0.05 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 3hft h ASN 79 Cb 0.59 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 3hft h ASN 79 CO 0.04 0.45 0.01 0.40 -1.29 0.00 0.00 177.43 177.05 3hft h ILE 80 N 0.72 1.23 -0.24 2.81 2.04 -1.21 -2.57 117.51 120.29 3hft h ILE 80 Ca 0.19 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3hft h ILE 80 Cb -0.07 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3hft h ILE 80 CO -0.04 0.22 -0.03 0.03 0.00 0.00 0.00 178.15 178.33 3hft h ARG 81 N 0.01 0.04 -0.92 2.37 3.08 -0.85 -2.99 114.38 115.12 3hft h ARG 81 Ca 0.04 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3hft h ARG 81 Cb 0.33 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 3hft h ARG 81 CO 0.00 0.03 0.58 0.00 -1.07 0.00 0.00 179.97 179.51 3hft h ARG 82 N 0.04 1.00 -6.25 0.04 3.08 -1.11 -3.41 114.38 107.77 3hft h ARG 82 Ca 0.12 -0.06 -0.56 0.00 0.07 0.00 0.00 59.98 59.55 3hft h ARG 82 Cb 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3hft h ARG 82 CO -0.22 0.66 1.05 1.21 -1.07 0.00 0.00 179.97 181.60 3hft s ASN 83 N -5.79 6.62 0.23 7.04 3.84 -0.98 -4.86 114.94 121.04 3hft s ASN 83 Ca -0.12 1.82 0.22 0.00 0.21 0.00 0.00 52.86 54.98 3hft s ASN 83 Cb 0.19 -2.53 0.94 0.00 -0.55 0.00 0.00 41.25 39.30 3hft s ASN 83 CO 0.80 -1.02 1.66 -0.81 -2.79 0.00 0.00 177.10 174.94 3hft n PRO 84 N 7.22 0.16 0.00 0.43 -0.04 -1.26 -1.50 135.00 140.00 3hft n PRO 84 Ca 0.17 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 3hft n PRO 84 Cb 0.44 -1.83 0.40 0.00 -0.04 0.00 0.00 33.50 32.47 3hft n PRO 84 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hft n LEU 85 N -2.14 0.50 -4.59 1.53 4.77 -1.26 -4.88 117.00 110.94 3hft n LEU 85 Ca 0.02 0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.70 3hft n LEU 85 Cb 0.20 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 3hft n LEU 85 CO 0.18 0.11 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.63 3hft s PHE 86 N -2.82 3.03 -0.10 -1.77 0.08 -0.57 -2.11 117.98 113.72 3hft s PHE 86 Ca 0.17 -0.02 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 3hft s PHE 86 Cb 0.18 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3hft s PHE 86 CO 0.60 0.26 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.94 3hft s GLU 87 N -0.49 3.09 -0.22 0.44 2.12 -0.32 -4.79 118.70 118.53 3hft s GLU 87 Ca 0.08 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.82 3hft s GLU 87 Cb -0.12 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 3hft s GLU 87 CO 0.02 0.55 0.10 -1.17 -0.54 0.00 0.00 175.26 174.21 3hft s LEU 88 N -0.48 3.81 0.00 2.70 2.96 -1.26 -0.73 118.68 125.69 3hft s LEU 88 Ca 0.08 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3hft s LEU 88 Cb -0.12 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 3hft s LEU 88 CO 0.02 0.09 0.01 0.61 -1.32 0.00 0.00 176.35 175.76 3hft n GLY 89 N 4.13 4.06 3.45 7.98 0.00 0.89 -4.65 105.19 121.04 3hft n GLY 89 Ca -0.16 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 3hft n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hft s VAL 90 N -1.45 2.62 -0.56 1.61 -7.23 -0.95 -1.01 120.40 113.43 3hft s VAL 90 Ca 0.01 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 3hft s VAL 90 Cb 0.00 -2.19 0.22 0.00 0.56 0.00 0.00 36.38 34.97 3hft s VAL 90 CO 0.01 0.09 0.58 1.57 -0.31 0.00 0.00 175.10 177.04 3hft n HIS 91 N 0.81 1.94 -2.11 2.82 -0.00 0.49 -2.28 115.22 116.89 3hft n HIS 91 Ca -0.16 -3.93 -0.37 0.00 -0.00 0.00 0.00 57.72 53.26 3hft n HIS 91 Cb 0.53 -0.41 0.01 0.00 -0.00 0.00 0.00 29.99 30.11 3hft n HIS 91 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3hft s PRO 92 N -1.61 3.56 -0.39 1.57 0.04 -1.25 -4.52 135.00 132.39 3hft s PRO 92 Ca 0.35 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 3hft s PRO 92 Cb 0.10 -2.35 0.10 0.00 0.04 0.00 0.00 34.50 32.39 3hft s PRO 92 CO -0.09 -0.76 0.17 1.21 0.04 0.00 0.00 177.00 177.57 3hft s ASN 93 N -1.24 5.21 0.00 6.66 2.47 -1.26 -0.97 114.94 125.81 3hft s ASN 93 Ca 0.66 -1.91 0.23 0.00 0.42 0.00 0.00 52.86 52.27 3hft s ASN 93 Cb -0.32 -1.82 0.43 0.00 -1.45 0.00 0.00 41.25 38.09 3hft s ASN 93 CO 0.39 -0.50 1.40 0.49 -3.72 0.00 0.00 177.10 175.16 3hft n PHE 94 N 4.60 0.39 -0.31 0.43 3.72 -1.26 -4.53 117.46 120.51 3hft n PHE 94 Ca -0.04 -0.20 0.05 0.00 -0.05 0.00 0.00 57.45 57.22 3hft n PHE 94 Cb 0.42 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.16 3hft n PHE 94 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3hft h ASN 95 N 4.31 0.68 -0.11 4.37 2.35 -1.92 -0.66 115.58 124.60 3hft h ASN 95 Ca 0.00 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3hft h ASN 95 Cb 0.94 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 3hft h ASN 95 CO 0.00 0.35 0.18 -0.65 -1.65 0.00 0.00 177.43 175.66 3hft h PRO 96 N 0.78 0.00 -0.01 0.81 0.11 -1.97 0.12 132.00 131.83 3hft h PRO 96 Ca 0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 3hft h PRO 96 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3hft h PRO 96 CO -0.29 0.00 -0.58 -0.07 -0.21 0.00 0.00 178.00 176.86 3hft h LEU 97 N 0.00 0.02 0.00 2.35 3.38 -1.40 -3.16 115.31 116.50 3hft h LEU 97 Ca 0.05 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3hft h LEU 97 Cb 0.41 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3hft h LEU 97 CO -0.00 0.59 -1.41 0.18 0.09 0.00 0.00 178.44 177.89 3hft n LEU 98 N -3.86 0.85 0.22 1.67 4.77 0.25 -4.32 117.00 116.58 3hft n LEU 98 Ca -0.01 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3hft n LEU 98 Cb 0.58 0.07 0.53 0.00 -2.33 0.00 0.00 43.42 42.27 3hft n LEU 98 CO 0.42 0.13 0.85 0.00 -1.33 0.00 0.00 177.39 177.46 3hft h ALA 99 N 1.44 1.35 0.00 -1.18 0.00 -1.08 -3.48 119.26 116.31 3hft h ALA 99 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hft h ALA 99 Cb 1.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hft h ALA 99 CO 0.04 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3hft n GLY 100 N -0.56 -0.75 3.62 0.00 0.00 -1.25 -5.10 105.19 101.14 3hft n GLY 100 Ca -0.02 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 3hft n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hft n ALA 101 N -0.02 0.26 -3.43 4.61 0.00 -1.26 -4.74 120.51 115.92 3hft n ALA 101 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 3hft n ALA 101 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 3hft n ALA 101 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3hft s HIS 102 N -1.44 -0.56 -0.89 0.00 -0.00 -1.26 -5.00 115.29 106.14 3hft s HIS 102 Ca 0.71 0.73 0.25 0.00 -0.00 0.00 0.00 55.06 56.75 3hft s HIS 102 Cb -0.45 0.43 0.48 0.00 -0.00 0.00 0.00 32.58 33.03 3hft s HIS 102 CO 0.50 -0.68 1.40 0.00 -0.00 0.00 0.00 174.74 175.96 3hft n ALA 103 N 0.44 3.34 -2.46 -1.38 0.00 -1.26 -4.96 120.51 114.22 3hft n ALA 103 Ca -0.18 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 3hft n ALA 103 Cb 0.60 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 3hft n ALA 103 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hft s GLU 104 N -3.05 1.71 0.00 0.00 2.02 -1.26 -5.17 118.70 112.96 3hft s GLU 104 Ca 0.10 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.11 3hft s GLU 104 Cb 0.16 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.61 3hft s GLU 104 CO 0.70 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3hft n GLY 105 N -0.74 5.41 0.23 -1.39 0.00 -1.26 -4.95 105.19 102.50 3hft n GLY 105 Ca -0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 3hft n GLY 105 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hft h VAL 106 N 0.50 1.01 -0.35 1.61 2.07 -2.00 -3.22 116.25 115.86 3hft h VAL 106 Ca 0.00 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.36 3hft h VAL 106 Cb 0.00 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 3hft h VAL 106 CO 0.00 0.12 0.00 -0.61 0.02 0.00 0.00 177.57 177.10 3hft h GLN 107 N 0.64 0.10 -0.46 1.57 -0.00 -1.98 0.57 115.11 115.54 3hft h GLN 107 Ca 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.88 3hft h GLN 107 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.54 3hft h GLN 107 CO -0.14 0.06 0.24 0.93 0.00 0.00 0.00 178.83 179.93 3hft h GLU 108 N 0.10 0.64 -0.40 1.69 3.07 -1.97 -0.50 114.58 117.20 3hft h GLU 108 Ca 0.17 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3hft h GLU 108 Cb 0.23 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3hft h GLU 108 CO -0.28 0.52 0.01 0.82 -1.40 0.00 0.00 179.01 178.67 3hft h ILE 109 N 0.60 1.26 -0.22 3.13 2.04 -1.40 -1.74 117.51 121.17 3hft h ILE 109 Ca 0.16 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3hft h ILE 109 Cb 0.07 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3hft h ILE 109 CO -0.02 0.34 0.08 0.25 0.00 0.00 0.00 178.15 178.79 3hft h LEU 110 N 0.54 0.32 -0.81 1.44 5.85 -0.79 -1.17 115.31 120.69 3hft h LEU 110 Ca 0.12 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3hft h LEU 110 Cb 0.47 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3hft h LEU 110 CO 0.02 0.42 0.35 0.44 -0.34 0.00 0.00 178.44 179.33 3hft h ASP 111 N 0.20 1.09 -0.55 1.25 3.32 -1.04 -0.68 116.42 120.01 3hft h ASP 111 Ca 0.07 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3hft h ASP 111 Cb 0.21 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3hft h ASP 111 CO -0.00 0.95 0.20 0.03 -1.72 0.00 0.00 179.24 178.69 3hft h ARG 112 N 1.17 0.83 -0.60 3.56 3.08 -1.18 -2.94 114.38 118.31 3hft h ARG 112 Ca 0.27 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3hft h ARG 112 Cb 0.18 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3hft h ARG 112 CO -0.03 0.74 0.13 1.15 -1.07 0.00 0.00 179.97 180.90 3hft h THR 113 N 0.75 1.24 0.00 2.04 2.02 -0.82 -2.61 112.91 115.53 3hft h THR 113 Ca 0.18 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3hft h THR 113 Cb 0.23 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3hft h THR 113 CO -0.01 0.34 -0.05 -0.07 0.37 0.00 0.00 175.52 176.09 3hft h LEU 114 N 0.91 0.00 -2.45 2.58 3.38 -0.96 -0.99 115.31 117.78 3hft h LEU 114 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hft h LEU 114 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hft h LEU 114 CO 0.00 0.05 -0.02 -0.33 0.09 0.00 0.00 178.44 178.23 3hft h GLU 115 N 0.00 0.00 0.00 1.13 5.08 -1.33 -1.80 114.58 117.67 3hft h GLU 115 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hft h GLU 115 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hft h GLU 115 CO 0.01 0.02 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.83 3hft h LEU 116 N 0.00 0.00 -5.49 1.33 3.38 -1.32 -3.38 115.31 109.82 3hft h LEU 116 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3hft h LEU 116 Cb 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.64 3hft h LEU 116 CO 0.00 0.14 -0.79 0.00 0.09 0.00 0.00 178.44 177.89 3hft n ALA 117 N -2.16 0.44 -1.76 1.53 0.00 -0.69 -5.08 120.51 112.79 3hft n ALA 117 Ca 0.01 -2.35 -0.41 0.00 0.00 0.00 0.00 53.44 50.69 3hft n ALA 117 Cb 0.43 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 3hft n ALA 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hft n PRO 118 N 1.61 2.56 -0.88 0.00 -0.04 -1.14 -1.68 135.00 135.42 3hft n PRO 118 Ca 0.15 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 3hft n PRO 118 Cb 0.58 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3hft n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hft n GLY 119 N 0.65 1.15 3.64 0.55 0.00 -1.26 -5.02 105.19 104.89 3hft n GLY 119 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3hft n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hft n VAL 121 N -4.32 0.00 -5.13 0.00 0.24 -1.26 -4.49 118.33 103.38 3hft n VAL 121 Ca 0.08 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.72 3hft n VAL 121 Cb 0.53 0.92 -0.15 0.00 -1.47 0.00 0.00 33.84 33.67 3hft n VAL 121 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hft s SER 122 N -0.92 3.30 -0.03 -1.34 0.01 -1.26 -0.09 113.70 113.37 3hft s SER 122 Ca 0.00 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 3hft s SER 122 Cb 0.00 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.79 3hft s SER 122 CO 0.00 0.31 0.11 0.54 0.41 0.00 0.00 173.24 174.61 3hft s VAL 123 N -0.68 0.02 -0.03 3.43 0.11 -0.56 -2.24 120.40 120.43 3hft s VAL 123 Ca 0.11 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3hft s VAL 123 Cb -0.10 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3hft s VAL 123 CO 0.00 -0.08 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.05 3hft s ARG 124 N -0.23 0.68 0.19 1.54 3.52 -0.97 -0.99 118.95 122.69 3hft s ARG 124 Ca -0.03 -0.12 -0.28 0.00 -0.13 0.00 0.00 55.73 55.18 3hft s ARG 124 Cb -0.02 -0.70 -0.08 0.00 -1.56 0.00 0.00 34.95 32.59 3hft s ARG 124 CO 0.00 -0.02 0.86 -1.12 -0.81 0.00 0.00 175.30 174.20 3hft s SER 125 N 0.62 7.49 0.28 -2.12 0.01 -1.26 -3.97 113.70 114.76 3hft s SER 125 Ca -0.08 1.77 -0.30 0.00 1.31 0.00 0.00 55.95 58.65 3hft s SER 125 Cb -0.11 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 3hft s SER 125 CO -0.00 0.16 1.61 1.57 0.41 0.00 0.00 173.24 176.99 3hft n HIS 126 N 1.71 2.83 -1.40 2.43 -0.00 -0.14 -0.81 115.22 119.84 3hft n HIS 126 Ca -0.03 0.22 -0.14 0.00 0.46 0.00 0.00 57.72 58.23 3hft n HIS 126 Cb 0.48 -2.61 -0.06 0.00 -0.12 0.00 0.00 29.99 27.68 3hft n HIS 126 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 3hft n SER 127 N 2.44 -5.61 -3.36 0.26 7.64 -1.26 -3.00 113.62 110.73 3hft n SER 127 Ca 0.10 0.34 -0.24 0.00 1.01 0.00 0.00 58.87 60.08 3hft n SER 127 Cb 0.36 -4.32 0.04 0.00 -1.01 0.00 0.00 64.21 59.28 3hft n SER 127 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hft n LEU 128 N -1.57 -2.63 -4.68 -3.43 4.77 0.01 -4.91 117.00 104.57 3hft n LEU 128 Ca -0.14 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 3hft n LEU 128 Cb 0.61 -2.77 -0.03 0.00 -2.33 0.00 0.00 43.42 38.90 3hft n LEU 128 CO 0.21 0.36 1.17 -0.69 -1.33 0.00 0.00 177.39 177.11 3hft s VAL 129 N -3.19 3.77 0.13 4.08 1.01 -1.16 -4.97 120.40 120.07 3hft s VAL 129 Ca 0.45 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 63.36 3hft s VAL 129 Cb -0.21 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3hft s VAL 129 CO 0.55 -0.04 0.39 0.00 0.00 0.00 0.00 175.10 176.01 3hft s GLN 130 N 2.94 1.09 -0.07 2.72 -2.07 -1.26 -4.68 119.66 118.33 3hft s GLN 130 Ca 0.64 -0.77 -0.31 0.00 -1.82 0.00 0.00 55.36 53.10 3hft s GLN 130 Cb -0.30 0.46 0.12 0.00 -1.09 0.00 0.00 33.01 32.19 3hft s GLN 130 CO 0.25 -0.42 1.03 0.00 -1.32 0.00 0.00 175.29 174.83 3hft s ALA 131 N -3.83 -1.93 0.23 2.60 0.00 -1.26 -4.98 121.76 112.59 3hft s ALA 131 Ca 0.05 1.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 3hft s ALA 131 Cb 0.02 0.21 0.35 0.00 0.00 0.00 0.00 23.12 23.69 3hft s ALA 131 CO -0.10 -0.67 1.77 1.15 0.00 0.00 0.00 175.76 177.90 3hft h THR 132 N 2.00 0.81 -0.17 0.00 2.02 -2.02 -0.82 112.91 114.74 3hft h THR 132 Ca -0.17 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 3hft h THR 132 Cb 1.21 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3hft h THR 132 CO 0.27 0.10 -0.40 0.77 0.37 0.00 0.00 175.52 176.63 3hft h SER 133 N 0.55 0.40 -0.01 4.18 4.64 -1.99 -0.87 113.55 120.46 3hft h SER 133 Ca 0.35 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3hft h SER 133 Cb 0.41 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hft h SER 133 CO -0.29 0.76 0.01 0.40 -0.87 0.00 0.00 176.83 176.84 3hft h ILE 134 N 0.32 1.08 -0.62 0.95 2.04 -1.75 -2.60 117.51 116.92 3hft h ILE 134 Ca 0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3hft h ILE 134 Cb 0.85 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3hft h ILE 134 CO 0.07 0.06 0.30 -0.07 0.00 0.00 0.00 178.15 178.51 3hft h LEU 135 N -0.08 0.78 -1.08 1.44 4.07 -1.02 0.73 115.31 120.16 3hft h LEU 135 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3hft h LEU 135 Cb 0.09 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.63 3hft h LEU 135 CO -0.00 0.66 0.00 0.59 -1.08 0.00 0.00 178.44 178.61 3hft n ASN 136 N -4.35 0.02 0.00 -0.43 3.02 -0.35 -1.58 115.26 111.58 3hft n ASN 136 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3hft n ASN 136 Cb 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3hft n ASN 136 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hft n PHE 138 N 0.53 0.00 -0.24 3.10 3.72 0.25 -1.31 117.46 123.52 3hft n PHE 138 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3hft n PHE 138 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.59 3hft n PHE 138 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hft h GLY 139 N 0.00 1.01 1.22 1.37 0.00 -1.48 -1.74 103.07 103.44 3hft h GLY 139 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3hft h GLY 139 CO 0.00 0.47 0.43 0.83 0.00 0.00 0.00 176.54 178.27 3hft h GLU 140 N 0.91 0.72 -0.46 4.80 5.08 -1.47 -1.47 114.58 122.69 3hft h GLU 140 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hft h GLU 140 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3hft h GLU 140 CO -0.03 0.48 0.00 0.54 -1.00 0.00 0.00 179.01 179.00 3hft n ARG 141 N -4.47 1.74 -1.45 2.33 3.00 -0.71 -4.89 116.66 112.21 3hft n ARG 141 Ca 0.08 -0.84 -0.10 0.00 -0.01 0.00 0.00 57.85 56.99 3hft n ARG 141 Cb 0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 32.46 31.21 3hft n ARG 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3hft n ARG 142 N 0.16 -0.68 -2.49 5.56 1.74 -0.55 -4.99 116.66 115.40 3hft n ARG 142 Ca 0.08 0.76 -0.39 0.00 -0.77 0.00 0.00 57.85 57.53 3hft n ARG 142 Cb 0.31 -4.69 -0.04 0.00 -1.02 0.00 0.00 32.46 27.02 3hft n ARG 142 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hft s LEU 143 N -2.28 4.44 -0.02 0.55 1.43 -0.85 -4.68 118.68 117.27 3hft s LEU 143 Ca 0.00 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 3hft s LEU 143 Cb 0.00 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3hft s LEU 143 CO 0.00 -0.24 0.04 0.54 0.23 0.00 0.00 176.35 176.92 3hft n ARG 144 N 0.83 1.97 -4.06 1.70 3.00 0.87 -4.32 116.66 116.65 3hft n ARG 144 Ca 0.01 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.85 57.50 3hft n ARG 144 Cb 0.46 -1.09 -0.15 0.00 0.00 0.00 0.00 32.46 31.68 3hft n ARG 144 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3hft s TYR 145 N -2.17 2.97 -0.18 -1.55 2.02 0.36 -0.27 117.35 118.55 3hft s TYR 145 Ca -0.02 -1.77 -0.16 0.00 -0.37 0.00 0.00 57.07 54.75 3hft s TYR 145 Cb 0.02 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3hft s TYR 145 CO 0.15 -0.80 0.40 0.34 -1.57 0.00 0.00 175.55 174.07 3hft s ASP 146 N 1.26 6.49 -0.29 2.29 -1.08 -0.02 -1.50 116.67 123.80 3hft s ASP 146 Ca 0.00 0.58 0.08 0.00 -0.52 0.00 0.00 52.55 52.69 3hft s ASP 146 Cb -0.16 -2.24 0.46 0.00 -1.46 0.00 0.00 42.92 39.53 3hft s ASP 146 CO -0.09 -0.04 1.32 0.00 0.52 0.00 0.00 175.17 176.88 3hft n ASN 148 N -0.94 0.98 -4.61 0.00 3.02 -1.26 -4.79 115.26 107.65 3hft n ASN 148 Ca 0.36 -0.82 -0.40 0.00 -0.03 0.00 0.00 54.58 53.68 3hft n ASN 148 Cb 0.88 0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 40.59 3hft n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hft s ILE 149 N -2.89 5.09 -0.33 2.41 -1.09 -1.26 -4.91 121.20 118.23 3hft s ILE 149 Ca 0.12 0.81 -0.07 0.00 -2.23 0.00 0.00 60.65 59.28 3hft s ILE 149 Cb 0.17 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3hft s ILE 149 CO 0.75 0.10 0.11 -0.22 -1.23 0.00 0.00 174.94 174.44 3hft s LEU 150 N 2.26 4.20 -0.28 2.97 0.20 -1.26 -0.76 118.68 126.01 3hft s LEU 150 Ca 0.20 -0.99 -0.04 0.00 0.69 0.00 0.00 54.13 53.99 3hft s LEU 150 Cb -0.16 -1.89 0.03 0.00 -0.43 0.00 0.00 46.19 43.74 3hft s LEU 150 CO 0.09 -0.29 0.01 -0.69 -0.29 0.00 0.00 176.35 175.18 3hft s VAL 151 N 1.45 3.33 0.36 1.68 1.01 -0.07 -4.94 120.40 123.22 3hft s VAL 151 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 3hft s VAL 151 Cb -0.19 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.32 3hft s VAL 151 CO 0.03 0.08 1.36 -2.65 0.00 0.00 0.00 175.10 173.92 3hft n PRO 152 N 4.74 2.31 0.15 2.72 -0.02 -1.26 -3.99 135.00 139.65 3hft n PRO 152 Ca -0.15 0.81 0.19 0.00 -2.02 0.00 0.00 63.50 62.33 3hft n PRO 152 Cb 0.47 -2.45 0.76 0.00 -0.02 0.00 0.00 33.50 32.25 3hft n PRO 152 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3hft h TRP 153 N 2.66 0.00 -0.66 6.00 5.08 -1.50 -1.31 115.95 126.22 3hft h TRP 153 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3hft h TRP 153 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 3hft h TRP 153 CO 0.51 0.00 0.00 -0.40 -1.28 0.00 0.00 178.44 177.27 3hft n ASP 154 N -3.50 4.05 0.04 0.11 5.75 -1.26 -4.36 116.55 117.37 3hft n ASP 154 Ca 0.05 -2.14 0.11 0.00 -0.01 0.00 0.00 54.79 52.80 3hft n ASP 154 Cb 0.56 -0.48 0.46 0.00 -1.03 0.00 0.00 41.12 40.63 3hft n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hft n ALA 155 N 1.33 1.97 -0.73 2.12 0.00 -0.50 -4.90 120.51 119.80 3hft n ALA 155 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3hft n ALA 155 Cb 0.68 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3hft n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hft n GLY 156 N 0.68 0.55 3.25 0.00 0.00 -1.26 -5.04 105.19 103.35 3hft n GLY 156 Ca 0.05 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 3hft n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hft s ILE 157 N -2.00 2.69 -0.16 -0.61 1.01 -1.26 -5.09 121.20 115.78 3hft s ILE 157 Ca 0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 3hft s ILE 157 Cb 0.00 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3hft s ILE 157 CO 0.00 0.50 0.85 -0.69 0.00 0.00 0.00 174.94 175.60 3hft s VAL 158 N 1.05 4.87 -0.01 2.92 1.01 -1.26 -4.97 120.40 124.02 3hft s VAL 158 Ca -0.01 1.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 3hft s VAL 158 Cb -0.15 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3hft s VAL 158 CO -0.03 0.03 0.24 -0.76 0.00 0.00 0.00 175.10 174.58 3hft s LEU 159 N 2.11 4.37 0.09 3.92 1.43 -1.26 -5.01 118.68 124.33 3hft s LEU 159 Ca 0.39 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 3hft s LEU 159 Cb -0.17 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3hft s LEU 159 CO 0.13 0.27 -0.06 -1.10 0.23 0.00 0.00 176.35 175.82 3hft s GLN 160 N -1.72 0.80 0.64 1.70 -0.21 -1.26 -0.84 119.66 118.76 3hft s GLN 160 Ca 0.26 -1.30 -0.10 0.00 0.02 0.00 0.00 55.36 54.24 3hft s GLN 160 Cb -0.13 -0.17 -0.02 0.00 1.00 0.00 0.00 33.01 33.69 3hft s GLN 160 CO 0.15 -0.02 1.02 -1.25 -2.12 0.00 0.00 175.29 173.07 3hft s PRO 161 N -3.76 3.28 0.10 2.91 0.04 -1.26 -4.55 135.00 131.75 3hft s PRO 161 Ca 0.11 0.54 -0.06 0.00 0.04 0.00 0.00 61.00 61.62 3hft s PRO 161 Cb 0.05 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3hft s PRO 161 CO -0.05 -0.71 0.15 1.67 0.04 0.00 0.00 177.00 178.10 3hft s TRP 162 N -3.19 0.34 0.05 0.56 -2.14 -0.64 -4.98 118.94 108.93 3hft s TRP 162 Ca 0.55 -0.78 -0.30 0.00 2.66 0.00 0.00 56.10 58.23 3hft s TRP 162 Cb -0.11 -0.16 -0.05 0.00 -3.10 0.00 0.00 33.47 30.05 3hft s TRP 162 CO 0.52 -0.55 1.07 1.03 -2.66 0.00 0.00 176.95 176.36 3hft s ARG 163 N -3.91 4.53 0.61 3.25 0.52 -1.26 -0.39 118.95 122.30 3hft s ARG 163 Ca 0.10 1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 3hft s ARG 163 Cb 0.05 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3hft s ARG 163 CO -0.07 -0.09 1.03 -1.58 0.02 0.00 0.00 175.30 174.60 3hft s HIS 164 N 0.82 3.54 -1.27 -0.53 5.65 -1.26 -4.86 115.29 117.38 3hft s HIS 164 Ca 0.54 1.33 0.25 0.00 0.25 0.00 0.00 55.06 57.43 3hft s HIS 164 Cb -0.25 -2.75 1.19 0.00 -1.18 0.00 0.00 32.58 29.58 3hft s HIS 164 CO 0.29 -0.71 1.82 -2.67 -0.65 0.00 0.00 174.74 172.82 3hft n TRP 165 N -2.62 0.00 -4.08 3.88 2.14 -1.26 -4.72 117.44 110.78 3hft n TRP 165 Ca 0.06 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.56 3hft n TRP 165 Cb 0.54 -0.36 -0.10 0.00 -0.81 0.00 0.00 31.31 30.57 3hft n TRP 165 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 3hft s THR 166 N -2.73 0.21 -0.31 -1.67 -4.23 -1.26 -4.92 115.64 100.73 3hft s THR 166 Ca 0.19 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3hft s THR 166 Cb 0.17 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3hft s THR 166 CO 0.41 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 3hft n GLY 167 N 0.29 0.53 2.92 3.99 0.00 -1.26 -4.91 105.19 106.75 3hft n GLY 167 Ca -0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 3hft n GLY 167 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hft n ASP 168 N -0.18 -5.34 -3.65 1.61 5.68 -1.26 -4.92 116.55 108.49 3hft n ASP 168 Ca -0.03 1.04 -0.08 0.00 -0.50 0.00 0.00 54.79 55.22 3hft n ASP 168 Cb 0.26 -3.09 -0.08 0.00 -1.14 0.00 0.00 41.12 37.06 3hft n ASP 168 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hft s VAL 170 N -0.55 -0.04 -0.15 2.12 1.01 0.63 -4.92 120.40 118.50 3hft s VAL 170 Ca -0.09 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 3hft s VAL 170 Cb 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3hft s VAL 170 CO 0.33 0.01 0.48 -0.13 0.00 0.00 0.00 175.10 175.79 3hft s ARG 171 N 1.62 4.29 -0.32 2.72 0.52 0.48 -0.85 118.95 127.42 3hft s ARG 171 Ca -0.10 0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.52 3hft s ARG 171 Cb -0.06 -3.47 0.07 0.00 0.52 0.00 0.00 34.95 32.00 3hft s ARG 171 CO -0.18 0.07 0.03 0.08 0.02 0.00 0.00 175.30 175.32 3hft s VAL 172 N 0.93 2.89 0.37 3.52 1.01 0.62 -1.63 120.40 128.12 3hft s VAL 172 Ca 0.25 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 3hft s VAL 172 Cb -0.15 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3hft s VAL 172 CO 0.10 -0.26 0.84 -2.16 0.00 0.00 0.00 175.10 173.62 3hft s PRO 173 N 1.18 4.10 0.14 2.72 0.04 -1.26 -4.38 135.00 137.54 3hft s PRO 173 Ca -0.02 0.87 0.08 0.00 0.04 0.00 0.00 61.00 61.98 3hft s PRO 173 Cb -0.20 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3hft s PRO 173 CO -0.03 0.06 -0.19 1.52 0.04 0.00 0.00 177.00 178.40 3hft s TYR 174 N -2.09 1.81 0.00 0.56 1.13 0.06 -4.53 117.35 114.29 3hft s TYR 174 Ca 0.58 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.79 3hft s TYR 174 Cb -0.10 -0.94 0.00 0.00 -1.10 0.00 0.00 41.96 39.82 3hft s TYR 174 CO 0.16 0.27 0.32 1.47 -2.51 0.00 0.00 175.55 175.26 3hft n LEU 175 N 0.66 0.65 -3.71 -3.49 -0.00 -0.59 -0.89 117.00 109.63 3hft n LEU 175 Ca -0.16 -0.81 -0.13 0.00 -0.00 0.00 0.00 56.01 54.90 3hft n LEU 175 Cb 0.55 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.88 3hft n LEU 175 CO 0.26 0.16 0.15 0.86 -0.00 0.00 0.00 177.39 178.82 3hft s TRP 176 N -0.33 -0.51 -0.11 1.47 -0.00 -1.22 -1.22 118.94 117.01 3hft s TRP 176 Ca 0.00 1.24 -0.12 0.00 -0.00 0.00 0.00 56.10 57.22 3hft s TRP 176 Cb 0.00 0.18 0.03 0.00 -0.00 0.00 0.00 33.47 33.68 3hft s TRP 176 CO 0.00 -0.26 0.33 -2.00 -0.00 0.00 0.00 176.95 175.02 3hft s GLU 177 N 0.18 0.43 0.08 5.86 2.12 -1.26 -0.76 118.70 125.35 3hft s GLU 177 Ca -0.01 0.37 -0.28 0.00 0.36 0.00 0.00 54.97 55.42 3hft s GLU 177 Cb -0.03 0.21 -0.17 0.00 0.26 0.00 0.00 34.13 34.39 3hft s GLU 177 CO 0.01 -0.07 1.66 0.38 -0.54 0.00 0.00 175.26 176.71 3hft h ASP 178 N 5.37 -0.40 0.12 -1.70 3.04 -1.80 0.22 116.42 121.27 3hft h ASP 178 Ca -0.27 0.01 -0.09 0.00 -3.24 0.00 0.00 57.03 53.44 3hft h ASP 178 Cb 1.19 0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 39.57 3hft h ASP 178 CO 0.31 -0.28 -0.30 -2.24 -2.04 0.00 0.00 179.24 174.70 3hft h ASP 179 N -0.49 0.29 0.00 4.15 2.03 -1.96 -2.48 116.42 117.95 3hft h ASP 179 Ca -0.05 -0.10 -0.08 0.00 -0.73 0.00 0.00 57.03 56.08 3hft h ASP 179 Cb 0.37 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 3hft h ASP 179 CO 0.08 0.58 -0.20 0.58 -1.03 0.00 0.00 179.24 179.25 3hft h VAL 180 N 0.25 1.24 -0.71 4.15 2.07 -1.90 -1.87 116.25 119.48 3hft h VAL 180 Ca 0.04 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 3hft h VAL 180 Cb 0.66 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3hft h VAL 180 CO 0.05 0.34 0.26 0.00 0.02 0.00 0.00 177.57 178.24 3hft h ALA 181 N 1.46 0.92 -0.19 1.67 0.00 -0.13 0.51 119.26 123.50 3hft h ALA 181 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hft h ALA 181 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hft h ALA 181 CO 0.04 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.97 3hft h LEU 183 N 0.24 0.72 -0.47 0.00 3.38 -0.72 -2.34 115.31 116.12 3hft h LEU 183 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hft h LEU 183 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hft h LEU 183 CO -0.01 0.74 -0.14 -1.22 0.09 0.00 0.00 178.44 177.90 3hft n TYR 184 N -4.26 0.00 -3.40 1.13 4.01 0.11 -4.95 117.16 109.80 3hft n TYR 184 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 3hft n TYR 184 Cb 0.25 -0.11 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3hft n TYR 184 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hft n ASP 185 N -0.60 -6.23 -4.80 7.72 2.03 -0.10 -5.00 116.55 109.56 3hft n ASP 185 Ca 0.15 -0.45 -0.33 0.00 0.52 0.00 0.00 54.79 54.68 3hft n ASP 185 Cb 0.31 -4.91 0.02 0.00 -0.72 0.00 0.00 41.12 35.81 3hft n ASP 185 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3hft s TRP 186 N -3.27 2.92 0.21 -0.67 0.51 -0.15 -5.02 118.94 113.47 3hft s TRP 186 Ca 0.49 1.52 -0.29 0.00 -2.12 0.00 0.00 56.10 55.71 3hft s TRP 186 Cb -0.22 -3.04 -0.09 0.00 -0.81 0.00 0.00 33.47 29.31 3hft s TRP 186 CO 0.61 -1.21 0.89 -1.21 -0.51 0.00 0.00 176.95 175.52 3hft s GLU 187 N -4.03 4.77 -0.00 4.98 2.02 -1.26 -4.75 118.70 120.42 3hft s GLU 187 Ca 0.64 1.39 0.21 0.00 0.02 0.00 0.00 54.97 57.24 3hft s GLU 187 Cb -0.17 -3.28 -0.22 0.00 0.10 0.00 0.00 34.13 30.56 3hft s GLU 187 CO 0.37 0.52 0.83 1.19 0.02 0.00 0.00 175.26 178.19 3hft n PHE 188 N 1.57 0.01 -1.71 1.61 3.72 -1.26 -4.58 117.46 116.83 3hft n PHE 188 Ca -0.03 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.40 3hft n PHE 188 Cb 0.48 -0.14 0.18 0.00 -0.94 0.00 0.00 39.48 39.06 3hft n PHE 188 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3hft n ASP 189 N -1.69 1.97 -4.77 4.37 5.75 -1.26 -4.15 116.55 116.77 3hft n ASP 189 Ca 0.02 -3.76 -0.35 0.00 -0.01 0.00 0.00 54.79 50.69 3hft n ASP 189 Cb 0.39 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 3hft n ASP 189 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hft s SER 190 N -3.20 5.67 0.00 -1.12 0.15 -1.26 -4.95 113.70 108.99 3hft s SER 190 Ca 0.39 2.14 0.26 0.00 0.70 0.00 0.00 55.95 59.44 3hft s SER 190 Cb 0.37 -2.58 1.17 0.00 -1.71 0.00 0.00 66.02 63.28 3hft s SER 190 CO -0.07 -1.25 1.80 0.35 1.20 0.00 0.00 173.24 175.27 3hft n THR 191 N -1.43 0.05 -3.96 6.45 -2.24 -1.26 -4.90 114.28 106.98 3hft n THR 191 Ca 0.11 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3hft n THR 191 Cb 0.51 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 3hft n THR 191 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3hft s PHE 192 N -1.95 0.40 -1.24 4.78 -0.71 -1.26 -5.07 117.98 112.92 3hft s PHE 192 Ca 0.38 -0.79 -0.18 0.00 -1.04 0.00 0.00 56.93 55.30 3hft s PHE 192 Cb 0.19 -0.13 0.09 0.00 -1.21 0.00 0.00 43.02 41.97 3hft s PHE 192 CO 0.31 -0.63 1.63 -0.51 -1.34 0.00 0.00 175.22 174.67 3hft s ASP 193 N -2.95 6.85 0.56 1.98 1.01 -1.26 -4.81 116.67 118.06 3hft s ASP 193 Ca 0.14 -2.47 0.24 0.00 0.71 0.00 0.00 52.55 51.18 3hft s ASP 193 Cb 0.04 -2.53 1.52 0.00 1.01 0.00 0.00 42.92 42.96 3hft s ASP 193 CO -0.03 -1.10 2.13 0.10 0.21 0.00 0.00 175.17 176.47 3hft h TYR 194 N 7.72 0.00 0.00 4.23 -0.00 -1.97 -1.79 116.97 125.16 3hft h TYR 194 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.12 3hft h TYR 194 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 3hft h TYR 194 CO 1.33 0.00 -0.32 -2.67 -0.00 0.00 0.00 178.16 176.50 3hft n TRP 195 N -4.14 0.31 -2.16 0.10 4.27 -1.26 -4.95 117.44 109.60 3hft n TRP 195 Ca 0.01 0.09 -0.42 0.00 -3.89 0.00 0.00 57.50 53.29 3hft n TRP 195 Cb 0.25 -0.54 -0.03 0.00 -1.36 0.00 0.00 31.31 29.63 3hft n TRP 195 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 3hft s TYR 196 N -3.06 3.23 -0.36 -2.67 5.04 -0.68 -4.92 117.35 113.94 3hft s TYR 196 Ca 0.10 1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 3hft s TYR 196 Cb 0.16 -3.68 0.07 0.00 0.35 0.00 0.00 41.96 38.86 3hft s TYR 196 CO 0.64 -2.33 0.11 -0.65 -1.34 0.00 0.00 175.55 171.99 3hft s GLN 197 N 0.79 2.30 0.57 4.97 -0.21 -1.26 -4.95 119.66 121.87 3hft s GLN 197 Ca 0.63 -1.48 0.37 0.00 0.02 0.00 0.00 55.36 54.90 3hft s GLN 197 Cb -0.37 -3.42 1.71 0.00 1.00 0.00 0.00 33.01 31.93 3hft s GLN 197 CO 0.32 -0.82 2.10 -1.00 -2.12 0.00 0.00 175.29 173.77 3hft h PRO 198 N 8.08 0.00 -0.45 2.91 0.13 -1.95 -2.86 132.00 137.86 3hft h PRO 198 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3hft h PRO 198 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hft h PRO 198 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 3hft n ASP 199 N -3.02 3.20 -2.50 1.44 5.75 -1.26 -2.98 116.55 117.18 3hft n ASP 199 Ca -0.01 -2.00 -0.13 0.00 -0.01 0.00 0.00 54.79 52.64 3hft n ASP 199 Cb 0.21 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 3hft n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hft n GLY 200 N 0.81 3.19 3.78 6.12 0.00 -1.08 -4.78 105.19 113.22 3hft n GLY 200 Ca 0.15 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 3hft n GLY 200 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hft s ILE 201 N -2.90 4.83 -0.50 -0.61 2.07 -0.02 -0.20 121.20 123.86 3hft s ILE 201 Ca 0.26 1.25 0.03 0.00 -1.41 0.00 0.00 60.65 60.79 3hft s ILE 201 Cb 0.01 -3.93 0.13 0.00 0.13 0.00 0.00 42.46 38.80 3hft s ILE 201 CO 0.19 0.47 0.25 0.20 -1.91 0.00 0.00 174.94 174.14 3hft s ASN 202 N -0.57 4.46 -0.19 4.50 0.01 -0.98 -4.73 114.94 117.44 3hft s ASN 202 Ca 0.30 -2.88 -0.07 0.00 -0.71 0.00 0.00 52.86 49.51 3hft s ASN 202 Cb -0.19 -1.66 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 3hft s ASN 202 CO 0.18 -0.27 0.04 -0.69 -1.51 0.00 0.00 177.10 174.86 3hft s VAL 203 N -0.10 4.51 0.07 1.60 1.01 -1.26 -0.21 120.40 126.02 3hft s VAL 203 Ca 0.16 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.11 3hft s VAL 203 Cb -0.25 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3hft s VAL 203 CO -0.01 0.44 -0.26 -0.76 0.00 0.00 0.00 175.10 174.51 3hft s LEU 204 N 0.63 2.25 -0.18 3.92 1.02 -0.67 -1.54 118.68 124.11 3hft s LEU 204 Ca 0.02 -0.62 0.01 0.00 0.02 0.00 0.00 54.13 53.56 3hft s LEU 204 Cb -0.13 -1.29 0.02 0.00 0.02 0.00 0.00 46.19 44.80 3hft s LEU 204 CO 0.02 0.24 -0.19 -0.62 0.02 0.00 0.00 176.35 175.81 3hft s ASP 205 N -1.48 3.20 0.13 2.29 2.15 0.06 -0.80 116.67 122.22 3hft s ASP 205 Ca 0.13 -0.63 0.10 0.00 0.43 0.00 0.00 52.55 52.57 3hft s ASP 205 Cb -0.10 -1.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.98 3hft s ASP 205 CO 0.03 0.00 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.47 3hft s PHE 206 N 1.29 2.46 -0.14 -5.34 0.40 0.02 -1.99 117.98 114.70 3hft s PHE 206 Ca 0.05 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3hft s PHE 206 Cb -0.13 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 3hft s PHE 206 CO -0.12 0.39 -0.06 -1.01 0.70 0.00 0.00 175.22 175.12 3hft s HIS 207 N -1.19 2.98 0.29 0.36 3.76 -1.26 -1.90 115.29 118.33 3hft s HIS 207 Ca 0.17 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 54.83 3hft s HIS 207 Cb -0.10 -1.90 0.76 0.00 1.11 0.00 0.00 32.58 32.44 3hft s HIS 207 CO 0.09 -0.00 1.68 -1.35 -0.85 0.00 0.00 174.74 174.32 3hft h PRO 208 N 6.47 0.35 -0.90 8.40 0.11 -1.82 -0.10 132.00 144.51 3hft h PRO 208 Ca -0.33 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.79 3hft h PRO 208 Cb 1.19 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3hft h PRO 208 CO 0.60 0.23 0.58 0.97 -0.21 0.00 0.00 178.00 180.18 3hft h ILE 209 N 0.36 1.16 0.02 4.15 6.09 -1.88 0.25 117.51 127.65 3hft h ILE 209 Ca 0.57 -0.39 -0.20 0.00 -1.37 0.00 0.00 64.86 63.47 3hft h ILE 209 Cb 1.12 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 3hft h ILE 209 CO -0.56 0.21 -0.93 0.45 -3.07 0.00 0.00 178.15 174.25 3hft h HIS 210 N 1.14 0.25 -0.38 2.19 3.86 -1.49 -3.07 115.15 117.65 3hft h HIS 210 Ca 0.36 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3hft h HIS 210 Cb -0.01 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3hft h HIS 210 CO -0.01 1.00 0.04 0.28 0.86 0.00 0.00 177.93 180.09 3hft h VAL 211 N 0.08 1.25 0.00 2.45 2.07 -0.72 0.19 116.25 121.57 3hft h VAL 211 Ca -0.05 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3hft h VAL 211 Cb 1.58 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3hft h VAL 211 CO 0.14 0.31 0.00 0.00 0.02 0.00 0.00 177.57 178.04 3hft n TYR 212 N -4.51 0.00 -2.62 1.57 9.36 0.84 -4.42 117.16 117.38 3hft n TYR 212 Ca -0.01 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.18 3hft n TYR 212 Cb 0.25 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.98 3hft n TYR 212 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3hft n ASN 214 N 0.05 -0.93 -4.68 2.98 5.15 0.60 -4.77 115.26 113.65 3hft n ASN 214 Ca 0.00 -1.61 -0.45 0.00 -0.60 0.00 0.00 54.58 51.92 3hft n ASN 214 Cb 0.00 0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 39.89 3hft n ASN 214 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3hft n THR 215 N -0.50 0.21 0.20 -0.44 -1.04 -0.67 -3.78 114.28 108.26 3hft n THR 215 Ca -0.16 -0.04 0.03 0.00 -2.04 0.00 0.00 64.05 61.84 3hft n THR 215 Cb 0.65 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 3hft n THR 215 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3hft n GLU 216 N 4.71 3.99 -3.71 -2.82 0.00 -1.26 -1.27 120.64 120.28 3hft n GLU 216 Ca 0.18 -0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.21 3hft n GLU 216 Cb 0.32 -0.85 -0.10 0.00 0.00 0.00 0.00 31.44 30.81 3hft n GLU 216 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3hft s SER 217 N -1.79 -0.47 0.28 -1.84 1.04 -1.26 -4.85 113.70 104.81 3hft s SER 217 Ca 0.01 0.86 0.22 0.00 0.48 0.00 0.00 55.95 57.53 3hft s SER 217 Cb 0.04 0.81 1.06 0.00 0.10 0.00 0.00 66.02 68.03 3hft s SER 217 CO 0.23 -0.17 1.68 0.18 0.98 0.00 0.00 173.24 176.14 3hft n LEU 218 N 3.54 0.61 0.08 2.42 4.77 -1.26 -1.48 117.00 125.67 3hft n LEU 218 Ca -0.18 0.71 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 3hft n LEU 218 Cb 0.56 -0.70 0.22 0.00 -2.33 0.00 0.00 43.42 41.18 3hft n LEU 218 CO 0.11 -0.74 0.67 -0.09 -1.33 0.00 0.00 177.39 176.00 3hft h ARG 219 N 0.00 0.29 -0.52 3.23 9.65 -1.98 0.26 114.38 125.31 3hft h ARG 219 Ca 0.00 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 3hft h ARG 219 Cb 0.19 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 3hft h ARG 219 CO 0.00 0.63 0.26 -0.09 2.80 0.00 0.00 179.97 183.57 3hft h ARG 220 N 0.25 0.74 -0.32 0.20 2.43 -1.69 0.14 114.38 116.14 3hft h ARG 220 Ca 0.03 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hft h ARG 220 Cb 0.78 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3hft h ARG 220 CO 0.06 0.61 0.18 -0.92 -1.51 0.00 0.00 179.97 178.39 3hft h TYR 221 N 0.69 0.42 -0.44 2.20 3.20 -1.51 -1.94 116.97 119.60 3hft h TYR 221 Ca 0.18 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3hft h TYR 221 Cb 0.11 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3hft h TYR 221 CO -0.01 0.33 -0.23 0.93 -1.64 0.00 0.00 178.16 177.54 3hft h GLU 222 N 0.40 0.93 0.00 1.82 4.39 -0.75 -3.08 114.58 118.30 3hft h GLU 222 Ca 0.11 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 3hft h GLU 222 Cb 0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3hft h GLU 222 CO -0.02 1.07 -0.17 -0.44 -1.16 0.00 0.00 179.01 178.29 3hft h ASP 223 N 0.76 0.00 -0.48 1.42 3.32 -0.53 -2.97 116.42 117.94 3hft h ASP 223 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hft h ASP 223 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3hft h ASP 223 CO 0.07 0.17 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 3hft n SER 224 N -4.24 3.05 -0.30 6.45 3.41 -0.74 -4.68 113.62 116.56 3hft n SER 224 Ca -0.02 -1.96 0.13 0.00 -0.26 0.00 0.00 58.87 56.75 3hft n SER 224 Cb 0.24 -0.32 0.30 0.00 -0.26 0.00 0.00 64.21 64.17 3hft n SER 224 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hft h ARG 225 N 3.57 0.40 0.00 4.33 3.08 -1.45 0.17 114.38 124.48 3hft h ARG 225 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hft h ARG 225 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3hft h ARG 225 CO 0.00 0.26 0.00 0.39 -1.07 0.00 0.00 179.97 179.55 3hft n GLU 226 N -5.04 0.02 -0.09 0.04 -0.58 -1.26 -2.98 120.64 110.76 3hft n GLU 226 Ca 0.22 0.25 0.03 0.00 -0.42 0.00 0.00 57.16 57.25 3hft n GLU 226 Cb 0.64 -1.54 0.08 0.00 -0.57 0.00 0.00 31.44 30.05 3hft n GLU 226 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3hft n VAL 227 N -1.59 0.78 0.27 2.62 0.24 0.58 -4.70 118.33 116.53 3hft n VAL 227 Ca 0.04 -0.89 0.17 0.00 -2.04 0.00 0.00 64.34 61.62 3hft n VAL 227 Cb 0.19 0.64 0.93 0.00 -1.47 0.00 0.00 33.84 34.13 3hft n VAL 227 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3hft h HIS 228 N 1.28 0.00 -0.06 6.34 3.86 -1.45 -0.31 115.15 124.81 3hft h HIS 228 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hft h HIS 228 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3hft h HIS 228 CO 0.11 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.44 3hft n ARG 229 N -2.73 1.85 -3.46 2.45 1.74 -1.26 -4.62 116.66 110.62 3hft n ARG 229 Ca -0.02 -2.50 -0.43 0.00 -0.77 0.00 0.00 57.85 54.13 3hft n ARG 229 Cb 0.10 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 3hft n ARG 229 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hft s ASN 230 N -2.43 5.92 0.13 0.55 3.84 -0.13 -4.96 114.94 117.87 3hft s ASN 230 Ca 0.30 -1.65 0.17 0.00 0.21 0.00 0.00 52.86 51.89 3hft s ASN 230 Cb 0.26 -2.10 0.74 0.00 -0.55 0.00 0.00 41.25 39.60 3hft s ASN 230 CO 0.04 -0.69 1.52 -0.81 -2.79 0.00 0.00 177.10 174.37 3hft n PRO 231 N 5.07 0.09 -0.07 0.43 -0.04 -1.26 -1.44 135.00 137.78 3hft n PRO 231 Ca -0.11 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 3hft n PRO 231 Cb 0.42 -1.69 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3hft n PRO 231 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hft n VAL 232 N -1.86 1.62 0.02 0.52 0.31 -1.26 -4.61 118.33 113.07 3hft n VAL 232 Ca 0.02 -0.30 -0.03 0.00 -0.01 0.00 0.00 64.34 64.03 3hft n VAL 232 Cb 0.16 -1.90 -0.10 0.00 -0.91 0.00 0.00 33.84 31.09 3hft n VAL 232 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3hft h ASP 233 N -0.58 0.00 -0.73 4.52 5.19 -1.88 -3.39 116.42 119.54 3hft h ASP 233 Ca -0.41 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.03 3hft h ASP 233 Cb 1.61 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.08 3hft h ASP 233 CO -0.11 0.71 0.48 0.25 -3.12 0.00 0.00 179.24 177.45 3hft h LEU 234 N 0.00 0.76 -2.24 1.55 5.85 -1.44 -1.71 115.31 118.08 3hft h LEU 234 Ca -0.20 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3hft h LEU 234 Cb 1.72 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 3hft h LEU 234 CO 0.06 0.53 -0.01 -0.29 -0.34 0.00 0.00 178.44 178.39 3hft h ILE 235 N 0.89 0.75 0.00 4.05 6.09 -1.83 -0.98 117.51 126.48 3hft h ILE 235 Ca 0.29 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.73 3hft h ILE 235 Cb 0.05 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.35 3hft h ILE 235 CO -0.08 0.01 -0.09 0.03 -3.07 0.00 0.00 178.15 174.94 3hft h ARG 236 N 0.00 0.00 -0.07 2.19 3.08 -1.58 -2.24 114.38 115.76 3hft h ARG 236 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hft h ARG 236 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hft h ARG 236 CO 0.00 0.09 0.00 0.91 -1.07 0.00 0.00 179.97 179.90 3hft n TRP 237 N -3.39 0.07 -2.02 3.04 7.02 -0.37 -4.91 117.44 116.88 3hft n TRP 237 Ca -0.01 -0.04 -0.42 0.00 -1.02 0.00 0.00 57.50 56.01 3hft n TRP 237 Cb 0.26 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.12 3hft n TRP 237 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3hft s ARG 238 N -1.93 4.21 0.22 -0.99 3.52 -0.85 -4.91 118.95 118.23 3hft s ARG 238 Ca 0.36 2.21 -0.31 0.00 -0.13 0.00 0.00 55.73 57.86 3hft s ARG 238 Cb 0.19 -3.67 -0.11 0.00 -1.56 0.00 0.00 34.95 29.80 3hft s ARG 238 CO 0.31 -0.72 1.66 1.21 -0.81 0.00 0.00 175.30 176.95 3hft s ASN 239 N 2.47 6.42 0.00 -2.12 2.47 -1.26 -4.92 114.94 118.00 3hft s ASN 239 Ca 0.71 2.83 0.23 0.00 0.42 0.00 0.00 52.86 57.06 3hft s ASN 239 Cb -0.36 -2.61 0.17 0.00 -1.45 0.00 0.00 41.25 37.00 3hft s ASN 239 CO 0.30 -0.93 1.18 0.35 -3.72 0.00 0.00 177.10 174.28 3hft n THR 240 N 3.62 0.00 -2.13 -5.21 -2.24 -1.26 -4.79 114.28 102.27 3hft n THR 240 Ca 0.14 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3hft n THR 240 Cb 0.36 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3hft n THR 240 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hft n SER 241 N -1.36 0.00 -4.77 3.42 7.64 -1.26 -5.04 113.62 112.25 3hft n SER 241 Ca 0.05 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.64 3hft n SER 241 Cb 0.34 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 3hft n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hft s ALA 242 N -2.77 3.32 0.00 -0.43 0.00 -1.26 -4.90 121.76 115.72 3hft s ALA 242 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3hft s ALA 242 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3hft s ALA 242 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3hft n GLY 243 N 0.71 2.53 0.37 0.00 0.00 -1.26 -4.62 105.19 102.92 3hft n GLY 243 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.35 3hft n GLY 243 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hft h SER 244 N 0.00 0.94 -0.08 1.61 0.02 -1.27 -0.40 113.55 114.38 3hft h SER 244 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3hft h SER 244 Cb 0.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3hft h SER 244 CO 0.00 0.63 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.11 3hft h ARG 245 N 1.08 0.22 -0.06 3.45 2.43 -1.77 -2.10 114.38 117.62 3hft h ARG 245 Ca 0.37 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 3hft h ARG 245 Cb 0.09 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hft h ARG 245 CO -0.12 0.70 -0.41 1.79 -1.51 0.00 0.00 179.97 180.42 3hft h THR 246 N -0.24 1.30 -0.17 0.20 1.35 -1.85 0.11 112.91 113.61 3hft h THR 246 Ca 0.01 -1.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 3hft h THR 246 Cb 0.68 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3hft h THR 246 CO 0.03 0.43 0.08 0.15 -0.25 0.00 0.00 175.52 175.96 3hft h PHE 247 N 0.11 0.24 -0.44 4.73 3.04 -1.06 -0.48 116.94 123.08 3hft h PHE 247 Ca 0.01 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 3hft h PHE 247 Cb 0.77 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.19 3hft h PHE 247 CO 0.01 0.27 0.07 1.25 -2.02 0.00 0.00 178.31 177.89 3hft h LEU 248 N 0.15 0.70 -0.74 0.59 5.85 -0.99 -1.28 115.31 119.59 3hft h LEU 248 Ca 0.06 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3hft h LEU 248 Cb 0.11 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3hft h LEU 248 CO -0.01 0.78 0.45 1.56 -0.34 0.00 0.00 178.44 180.89 3hft h GLN 249 N 0.59 0.99 -0.59 1.25 4.20 -0.62 -1.42 115.11 119.51 3hft h GLN 249 Ca 0.13 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 3hft h GLN 249 Cb 0.38 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3hft h GLN 249 CO 0.01 0.69 0.07 0.77 -0.67 0.00 0.00 178.83 179.70 3hft h SER 250 N 1.00 0.97 -0.62 1.46 0.02 -0.91 -1.04 113.55 114.42 3hft h SER 250 Ca 0.27 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3hft h SER 250 Cb -0.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 3hft h SER 250 CO -0.05 1.00 0.35 0.25 -1.14 0.00 0.00 176.83 177.24 3hft h LEU 251 N 0.90 0.77 -0.03 5.07 6.46 -1.02 0.04 115.31 127.50 3hft h LEU 251 Ca 0.18 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3hft h LEU 251 Cb 0.46 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3hft h LEU 251 CO 0.02 0.63 0.01 -0.07 -0.62 0.00 0.00 178.44 178.41 3hft h LEU 252 N 0.85 0.04 -0.68 2.25 3.38 -1.11 -2.57 115.31 117.48 3hft h LEU 252 Ca 0.22 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hft h LEU 252 Cb 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3hft h LEU 252 CO -0.04 0.22 0.43 0.00 0.09 0.00 0.00 178.44 179.14 3hft h ALA 253 N 0.82 0.88 0.00 1.53 0.00 -0.93 -1.59 119.26 119.97 3hft h ALA 253 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hft h ALA 253 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hft h ALA 253 CO -0.00 0.21 -0.14 0.00 0.00 0.00 0.00 179.25 179.32 3hft h ARG 254 N 0.85 0.00 -0.00 0.00 3.08 -0.99 -3.34 114.38 113.97 3hft h ARG 254 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3hft h ARG 254 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3hft h ARG 254 CO -0.09 0.14 -0.06 0.09 -1.07 0.00 0.00 179.97 178.98 3hft n ASN 255 N -3.34 1.11 -0.56 7.04 3.02 -0.86 -5.09 115.26 116.57 3hft n ASN 255 Ca -0.00 -1.05 0.14 0.00 -0.03 0.00 0.00 54.58 53.63 3hft n ASN 255 Cb 0.35 0.26 0.45 0.00 -0.61 0.00 0.00 39.78 40.24 3hft n ASN 255 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94