#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hft n GLY 2 N 0.00 0.75 1.22 0.23 0.00 -1.26 -5.05 105.19 101.07 2hft n GLY 2 Ca 0.00 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.47 2hft n GLY 2 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hft n THR 3 N -0.14 -0.29 -0.02 2.61 -2.24 -1.26 -4.77 114.28 108.17 2hft n THR 3 Ca 0.00 0.55 0.02 0.00 -2.27 0.00 0.00 64.05 62.35 2hft n THR 3 Cb 0.06 -0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 2hft n THR 3 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2hft n THR 4 N -4.01 0.25 -0.06 4.28 -2.24 -1.26 -4.74 114.28 106.49 2hft n THR 4 Ca -0.05 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 2hft n THR 4 Cb 0.57 -0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 2hft n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hft n ASN 5 N -2.07 1.45 -4.84 3.42 3.02 -1.26 -5.02 115.26 109.96 2hft n ASN 5 Ca -0.07 0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.32 2hft n ASN 5 Cb 0.49 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 2hft n ASN 5 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2hft s THR 6 N -2.54 4.76 -0.08 3.41 -4.23 -1.26 -4.79 115.64 110.90 2hft s THR 6 Ca -0.20 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2hft s THR 6 Cb 0.07 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.51 2hft s THR 6 CO 0.74 -0.05 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.90 2hft s VAL 7 N -1.68 1.57 0.31 2.29 1.01 -1.26 -4.84 120.40 117.80 2hft s VAL 7 Ca 0.32 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2hft s VAL 7 Cb -0.11 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 2hft s VAL 7 CO 0.25 0.45 1.31 0.00 0.00 0.00 0.00 175.10 177.11 2hft s ALA 8 N 0.53 3.51 0.65 5.51 0.00 -1.26 -4.81 121.76 125.88 2hft s ALA 8 Ca -0.16 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 2hft s ALA 8 Cb -0.17 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2hft s ALA 8 CO 0.06 -0.61 1.15 0.00 0.00 0.00 0.00 175.76 176.35 2hft s ALA 9 N -0.92 2.43 0.22 0.00 0.00 -1.26 -4.74 121.76 117.50 2hft s ALA 9 Ca 0.50 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 2hft s ALA 9 Cb -0.39 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2hft s ALA 9 CO 0.50 -1.32 0.31 1.52 0.00 0.00 0.00 175.76 176.77 2hft s TYR 10 N -2.06 0.76 -1.31 0.00 1.13 0.44 -4.70 117.35 111.61 2hft s TYR 10 Ca 0.71 -1.05 -0.08 0.00 -1.41 0.00 0.00 57.07 55.24 2hft s TYR 10 Cb -0.24 -0.18 0.01 0.00 -1.10 0.00 0.00 41.96 40.44 2hft s TYR 10 CO 0.39 -0.82 1.14 0.09 -2.51 0.00 0.00 175.55 173.83 2hft n ASN 11 N -0.33 -5.84 -4.67 -0.18 3.02 -1.26 -0.32 115.26 105.68 2hft n ASN 11 Ca 0.00 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.60 2hft n ASN 11 Cb 0.64 -4.92 -0.03 0.00 -0.61 0.00 0.00 39.78 34.86 2hft n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hft s LEU 12 N -7.05 4.39 -0.02 3.41 1.02 -1.26 -4.35 118.68 114.83 2hft s LEU 12 Ca 0.51 2.55 0.01 0.00 0.02 0.00 0.00 54.13 57.22 2hft s LEU 12 Cb -0.23 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.45 2hft s LEU 12 CO 0.71 -0.99 -0.04 -0.89 0.02 0.00 0.00 176.35 175.16 2hft s THR 13 N 3.78 0.39 -0.17 5.49 2.01 0.46 -4.58 115.64 123.03 2hft s THR 13 Ca 0.81 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.50 2hft s THR 13 Cb -0.40 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2hft s THR 13 CO 0.36 0.16 0.55 0.26 -0.69 0.00 0.00 174.62 175.26 2hft s TRP 14 N 0.48 3.41 -0.24 4.92 0.52 -1.26 -0.26 118.94 126.51 2hft s TRP 14 Ca -0.05 0.86 -0.03 0.00 0.02 0.00 0.00 56.10 56.90 2hft s TRP 14 Cb -0.09 -2.69 0.01 0.00 -1.15 0.00 0.00 33.47 29.56 2hft s TRP 14 CO -0.00 -0.06 -0.05 0.15 0.02 0.00 0.00 176.95 177.01 2hft s LYS 15 N 1.46 3.05 -0.11 4.98 -0.14 0.70 -5.00 119.74 124.67 2hft s LYS 15 Ca 0.26 -0.84 -0.06 0.00 -1.36 0.00 0.00 55.97 53.98 2hft s LYS 15 Cb -0.16 -3.00 0.05 0.00 -1.68 0.00 0.00 37.83 33.04 2hft s LYS 15 CO 0.10 -0.32 0.27 0.45 -0.76 0.00 0.00 175.35 175.08 2hft s SER 16 N 1.39 -0.26 -0.05 2.83 0.15 -1.26 -0.54 113.70 115.96 2hft s SER 16 Ca 0.03 0.57 -0.02 0.00 0.70 0.00 0.00 55.95 57.23 2hft s SER 16 Cb -0.16 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2hft s SER 16 CO -0.04 -0.17 0.10 -0.89 1.20 0.00 0.00 173.24 173.44 2hft s THR 17 N 1.34 -0.08 -1.56 6.45 2.01 -0.72 -1.10 115.64 121.99 2hft s THR 17 Ca -0.09 0.23 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 2hft s THR 17 Cb -0.10 -0.19 0.12 0.00 0.01 0.00 0.00 72.50 72.34 2hft s THR 17 CO -0.09 0.09 0.78 0.59 -0.69 0.00 0.00 174.62 175.30 2hft n ASN 18 N 4.38 -3.90 0.00 3.53 4.13 -0.06 -1.17 115.26 122.17 2hft n ASN 18 Ca -0.24 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.23 2hft n ASN 18 Cb 0.51 -3.17 0.00 0.00 -1.54 0.00 0.00 39.78 35.58 2hft n ASN 18 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2hft n PHE 19 N -4.37 0.00 -2.46 3.10 3.72 -1.26 -4.68 117.46 111.52 2hft n PHE 19 Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 2hft n PHE 19 Cb 0.51 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 2hft n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2hft s LYS 20 N -0.05 4.16 -0.10 -1.08 2.20 -0.31 -4.79 119.74 119.77 2hft s LYS 20 Ca 0.00 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 57.15 2hft s LYS 20 Cb 0.00 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2hft s LYS 20 CO 0.00 -0.80 -0.15 0.99 -0.36 0.00 0.00 175.35 175.04 2hft s THR 21 N 3.67 1.43 -0.05 3.43 2.01 -1.26 -1.75 115.64 123.12 2hft s THR 21 Ca 0.54 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2hft s THR 21 Cb -0.19 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.01 2hft s THR 21 CO 0.15 0.43 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.74 2hft s ILE 22 N 0.91 1.24 -0.11 1.82 1.01 0.30 -0.53 121.20 125.83 2hft s ILE 22 Ca -0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 2hft s ILE 22 Cb -0.15 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2hft s ILE 22 CO 0.00 0.37 0.28 -0.22 0.00 0.00 0.00 174.94 175.37 2hft s LEU 23 N 0.27 4.33 0.15 2.97 2.96 -0.48 -0.21 118.68 128.67 2hft s LEU 23 Ca -0.08 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.53 2hft s LEU 23 Cb -0.12 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2hft s LEU 23 CO 0.03 0.23 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.46 2hft s GLU 24 N -0.25 1.29 0.32 1.98 2.02 0.64 -0.77 118.70 123.93 2hft s GLU 24 Ca 0.18 -1.36 -0.15 0.00 0.02 0.00 0.00 54.97 53.65 2hft s GLU 24 Cb -0.14 -1.50 0.03 0.00 0.10 0.00 0.00 34.13 32.62 2hft s GLU 24 CO 0.06 0.32 0.68 1.67 0.02 0.00 0.00 175.26 178.01 2hft s TRP 25 N -1.66 0.18 0.23 1.61 -2.14 -0.78 -0.40 118.94 115.98 2hft s TRP 25 Ca 0.14 -0.68 0.10 0.00 2.66 0.00 0.00 56.10 58.32 2hft s TRP 25 Cb -0.08 0.58 -0.05 0.00 -3.10 0.00 0.00 33.47 30.82 2hft s TRP 25 CO 0.07 -1.32 -0.19 -1.21 -2.66 0.00 0.00 176.95 171.63 2hft s GLU 26 N -3.19 1.51 0.46 3.25 2.02 0.56 -4.80 118.70 118.51 2hft s GLU 26 Ca 0.17 -1.62 0.07 0.00 0.02 0.00 0.00 54.97 53.61 2hft s GLU 26 Cb -0.04 -1.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.61 2hft s GLU 26 CO 0.11 0.30 0.40 -1.25 0.02 0.00 0.00 175.26 174.84 2hft s PRO 27 N -3.25 2.43 0.09 0.39 0.04 -1.26 -0.42 135.00 133.02 2hft s PRO 27 Ca 0.24 -1.68 -0.31 0.00 0.04 0.00 0.00 61.00 59.29 2hft s PRO 27 Cb -0.05 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 2hft s PRO 27 CO 0.11 -0.34 1.89 0.21 0.04 0.00 0.00 177.00 178.90 2hft s LYS 28 N -4.19 4.14 0.28 4.56 2.20 -1.26 -4.88 119.74 120.59 2hft s LYS 28 Ca 0.45 2.61 -0.30 0.00 -0.36 0.00 0.00 55.97 58.37 2hft s LYS 28 Cb -0.03 -3.82 -0.11 0.00 -1.51 0.00 0.00 37.83 32.36 2hft s LYS 28 CO 0.27 -0.89 1.54 -1.25 -0.36 0.00 0.00 175.35 174.66 2hft s PRO 29 N 3.43 4.17 -0.30 4.03 0.04 -1.26 -5.01 135.00 140.10 2hft s PRO 29 Ca 0.84 2.49 0.01 0.00 0.04 0.00 0.00 61.00 64.38 2hft s PRO 29 Cb -0.45 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.11 2hft s PRO 29 CO 0.38 -0.56 -0.02 0.08 0.04 0.00 0.00 177.00 176.92 2hft s VAL 30 N -0.04 2.62 -1.46 -0.36 1.01 -1.26 -4.66 120.40 116.25 2hft s VAL 30 Ca 0.62 -1.66 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 2hft s VAL 30 Cb -0.46 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.38 2hft s VAL 30 CO 0.47 -0.19 0.83 0.59 0.00 0.00 0.00 175.10 176.80 2hft n ASN 31 N 4.50 -5.12 -3.83 3.32 3.02 -1.26 -4.93 115.26 110.96 2hft n ASN 31 Ca -0.10 -0.55 -0.10 0.00 -0.03 0.00 0.00 54.58 53.80 2hft n ASN 31 Cb 0.42 -4.11 -0.05 0.00 -0.61 0.00 0.00 39.78 35.43 2hft n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hft s GLN 32 N -6.25 1.26 0.23 3.52 -2.07 -1.26 -1.91 119.66 113.18 2hft s GLN 32 Ca 0.52 -0.99 0.04 0.00 -1.82 0.00 0.00 55.36 53.11 2hft s GLN 32 Cb -0.25 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.07 2hft s GLN 32 CO 0.64 -0.50 -0.01 0.14 -1.32 0.00 0.00 175.29 174.25 2hft s VAL 33 N -3.91 1.03 0.07 3.63 -7.23 0.25 -4.76 120.40 109.48 2hft s VAL 33 Ca 0.12 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.34 2hft s VAL 33 Cb 0.01 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2hft s VAL 33 CO -0.02 -0.33 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.90 2hft s TYR 34 N -3.42 1.91 -0.12 2.82 2.02 0.20 -0.68 117.35 120.07 2hft s TYR 34 Ca 0.28 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2hft s TYR 34 Cb 0.06 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2hft s TYR 34 CO 0.08 0.16 -0.11 0.99 -1.57 0.00 0.00 175.55 175.10 2hft s THR 35 N -0.94 1.29 -0.15 -0.71 2.01 -0.99 -0.67 115.64 115.47 2hft s THR 35 Ca 0.08 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 2hft s THR 35 Cb -0.09 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2hft s THR 35 CO 0.03 0.41 0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 2hft s VAL 36 N 1.44 4.67 0.22 3.82 1.01 -0.08 -1.36 120.40 130.11 2hft s VAL 36 Ca 0.02 -0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.02 2hft s VAL 36 Cb -0.13 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2hft s VAL 36 CO -0.07 0.51 -0.23 -1.10 0.00 0.00 0.00 175.10 174.21 2hft s GLN 37 N -0.06 1.56 0.09 2.72 -0.21 -0.10 -0.69 119.66 122.97 2hft s GLN 37 Ca 0.06 -1.59 0.05 0.00 0.02 0.00 0.00 55.36 53.90 2hft s GLN 37 Cb -0.12 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 2hft s GLN 37 CO 0.01 0.38 -0.14 -1.50 -2.12 0.00 0.00 175.29 171.92 2hft s ILE 38 N -1.89 1.20 0.13 1.08 2.07 0.25 -1.06 121.20 122.98 2hft s ILE 38 Ca 0.23 -1.49 -0.21 0.00 -1.41 0.00 0.00 60.65 57.76 2hft s ILE 38 Cb -0.07 -1.28 0.06 0.00 0.13 0.00 0.00 42.46 41.30 2hft s ILE 38 CO 0.11 -0.32 0.55 -0.94 -1.91 0.00 0.00 174.94 172.43 2hft s SER 39 N -2.07 -0.48 0.71 4.50 1.04 -0.48 -0.56 113.70 116.36 2hft s SER 39 Ca 0.03 -0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 2hft s SER 39 Cb -0.07 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2hft s SER 39 CO 0.02 -0.91 1.07 0.42 0.98 0.00 0.00 173.24 174.82 2hft s THR 40 N -3.57 3.90 0.21 2.02 -4.23 -1.26 -1.00 115.64 111.71 2hft s THR 40 Ca 0.01 0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 2hft s THR 40 Cb -0.00 -3.32 0.33 0.00 1.34 0.00 0.00 72.50 70.85 2hft s THR 40 CO -0.11 -0.81 1.13 1.17 -0.54 0.00 0.00 174.62 175.46 2hft n LYS 41 N -3.20 -0.06 -0.10 3.99 0.00 0.12 -0.83 118.16 118.07 2hft n LYS 41 Ca 0.08 1.11 0.09 0.00 0.00 0.00 0.00 58.31 59.60 2hft n LYS 41 Cb 0.53 -1.69 0.14 0.00 0.00 0.00 0.00 35.03 34.01 2hft n LYS 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2hft n SER 42 N -5.13 2.23 -3.63 3.14 7.64 -1.26 -4.92 113.62 111.68 2hft n SER 42 Ca 0.13 -3.06 -0.15 0.00 1.01 0.00 0.00 58.87 56.80 2hft n SER 42 Cb 0.40 -0.42 0.08 0.00 -1.01 0.00 0.00 64.21 63.26 2hft n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hft n GLY 43 N -1.37 0.64 3.80 0.23 0.00 -0.01 -5.08 105.19 103.40 2hft n GLY 43 Ca 0.15 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 2hft n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hft s ASP 44 N -3.64 6.56 0.33 1.61 1.01 -1.26 -4.64 116.67 116.64 2hft s ASP 44 Ca 0.43 1.89 -0.24 0.00 0.71 0.00 0.00 52.55 55.35 2hft s ASP 44 Cb -0.02 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2hft s ASP 44 CO 0.29 -0.63 0.91 0.26 0.21 0.00 0.00 175.17 176.21 2hft s TRP 45 N -1.96 3.61 -0.06 4.23 0.52 -1.26 -4.45 118.94 119.56 2hft s TRP 45 Ca 0.64 1.68 -0.00 0.00 0.02 0.00 0.00 56.10 58.44 2hft s TRP 45 Cb -0.16 -2.85 0.03 0.00 -1.15 0.00 0.00 33.47 29.33 2hft s TRP 45 CO 0.20 0.17 -0.02 0.21 0.02 0.00 0.00 176.95 177.52 2hft s LYS 46 N -2.28 0.77 0.25 4.98 2.20 0.28 -4.94 119.74 121.00 2hft s LYS 46 Ca 0.51 -0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.82 2hft s LYS 46 Cb -0.16 -0.96 -0.09 0.00 -1.51 0.00 0.00 37.83 35.10 2hft s LYS 46 CO 0.21 -0.21 1.18 -1.12 -0.36 0.00 0.00 175.35 175.06 2hft s SER 47 N 1.50 7.10 0.00 1.43 0.01 -1.26 -0.58 113.70 121.89 2hft s SER 47 Ca -0.02 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2hft s SER 47 Cb -0.13 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2hft s SER 47 CO -0.03 -0.31 0.00 0.29 0.41 0.00 0.00 173.24 173.60 2hft n LYS 48 N 1.64 0.00 -4.07 12.44 4.76 0.13 -4.93 118.16 128.12 2hft n LYS 48 Ca 0.01 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.12 2hft n LYS 48 Cb 0.44 -0.63 -0.16 0.00 -1.84 0.00 0.00 35.03 32.84 2hft n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hft s PHE 50 N 1.32 3.36 -0.70 0.00 0.40 -1.26 -0.90 117.98 120.20 2hft s PHE 50 Ca 0.05 0.25 -0.15 0.00 -0.60 0.00 0.00 56.93 56.48 2hft s PHE 50 Cb -0.14 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.32 2hft s PHE 50 CO -0.11 0.29 0.42 0.66 0.70 0.00 0.00 175.22 177.19 2hft n TYR 51 N 3.31 -1.03 -4.21 0.36 4.01 -0.55 -4.93 117.16 114.11 2hft n TYR 51 Ca -0.17 0.21 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 2hft n TYR 51 Cb 0.52 -1.78 -0.06 0.00 -0.31 0.00 0.00 39.34 37.72 2hft n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2hft s THR 52 N -3.54 3.64 -1.03 -0.72 -1.32 0.15 -4.71 115.64 108.11 2hft s THR 52 Ca 0.21 -1.74 0.20 0.00 -1.21 0.00 0.00 61.69 59.14 2hft s THR 52 Cb -0.12 -3.01 -0.19 0.00 -1.51 0.00 0.00 72.50 67.67 2hft s THR 52 CO 0.61 -0.34 0.86 0.35 -2.21 0.00 0.00 174.62 173.89 2hft n THR 53 N -1.01 0.00 -1.03 5.08 -2.24 -1.26 -0.63 114.28 113.18 2hft n THR 53 Ca -0.06 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 2hft n THR 53 Cb 0.59 1.03 0.12 0.00 -2.10 0.00 0.00 70.33 69.97 2hft n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2hft s ASP 54 N -2.80 3.85 -0.25 3.42 1.01 -1.26 -4.58 116.67 116.06 2hft s ASP 54 Ca 0.08 1.98 0.09 0.00 0.71 0.00 0.00 52.55 55.42 2hft s ASP 54 Cb 0.15 -2.54 0.45 0.00 1.01 0.00 0.00 42.92 41.99 2hft s ASP 54 CO 0.78 -2.48 1.29 0.35 0.21 0.00 0.00 175.17 175.32 2hft n THR 55 N -3.80 2.38 -3.69 -1.27 -2.24 -1.26 -4.87 114.28 99.54 2hft n THR 55 Ca 0.10 -3.31 -0.13 0.00 -2.27 0.00 0.00 64.05 58.44 2hft n THR 55 Cb 0.53 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 2hft n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2hft s GLU 56 N -3.32 0.85 -0.13 -0.78 -1.05 -1.26 -1.86 118.70 111.15 2hft s GLU 56 Ca 0.43 -0.27 -0.04 0.00 -0.15 0.00 0.00 54.97 54.93 2hft s GLU 56 Cb 0.39 0.38 0.06 0.00 -0.44 0.00 0.00 34.13 34.52 2hft s GLU 56 CO -0.03 -0.27 0.20 0.00 0.95 0.00 0.00 175.26 176.10 2hft s ASP 58 N 2.32 6.54 -0.11 0.00 -1.08 -1.26 -1.38 116.67 121.70 2hft s ASP 58 Ca 0.04 1.14 0.15 0.00 -0.52 0.00 0.00 52.55 53.35 2hft s ASP 58 Cb -0.13 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.28 2hft s ASP 58 CO -0.08 -1.20 1.40 0.18 0.52 0.00 0.00 175.17 175.99 2hft n LEU 59 N 8.06 3.73 -0.18 -1.34 4.77 0.31 -4.75 117.00 127.61 2hft n LEU 59 Ca 0.16 -2.60 -0.01 0.00 -0.03 0.00 0.00 56.01 53.53 2hft n LEU 59 Cb 0.47 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 2hft n LEU 59 CO 0.65 0.71 0.91 0.74 -1.33 0.00 0.00 177.39 179.07 2hft h THR 60 N 2.22 0.69 -0.14 -5.08 2.02 -1.83 -2.27 112.91 108.51 2hft h THR 60 Ca 0.00 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2hft h THR 60 Cb 1.22 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2hft h THR 60 CO 0.16 0.05 0.11 0.44 0.37 0.00 0.00 175.52 176.64 2hft h ASP 61 N 0.25 0.00 0.01 4.18 3.32 -1.92 -2.18 116.42 120.07 2hft h ASP 61 Ca 0.28 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.16 2hft h ASP 61 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2hft h ASP 61 CO -0.36 0.00 -0.91 -0.33 -1.72 0.00 0.00 179.24 175.92 2hft h GLU 62 N 0.00 0.01 0.00 3.56 4.39 -1.80 -3.38 114.58 117.36 2hft h GLU 62 Ca 0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2hft h GLU 62 Cb 0.29 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2hft h GLU 62 CO -0.00 1.01 -0.07 -0.84 -1.16 0.00 0.00 179.01 177.95 2hft h ILE 63 N -0.96 0.68 0.00 3.13 -0.00 -1.35 -0.92 117.51 118.10 2hft h ILE 63 Ca -0.25 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.34 2hft h ILE 63 Cb 1.24 1.17 0.00 0.00 -0.00 0.00 0.00 36.82 39.23 2hft h ILE 63 CO -0.14 0.07 0.00 1.33 -0.00 0.00 0.00 178.15 179.41 2hft n VAL 64 N -3.92 0.37 0.11 0.16 0.24 -0.83 -3.22 118.33 111.24 2hft n VAL 64 Ca -0.03 -0.01 0.10 0.00 -2.04 0.00 0.00 64.34 62.36 2hft n VAL 64 Cb 0.16 -0.65 0.58 0.00 -1.47 0.00 0.00 33.84 32.46 2hft n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2hft h LYS 65 N 0.00 0.17 -1.27 7.34 1.57 -1.34 -3.36 116.57 119.68 2hft h LYS 65 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2hft h LYS 65 Cb 0.51 -0.04 -0.24 0.00 0.08 0.00 0.00 32.23 32.54 2hft h LYS 65 CO 0.00 0.11 -0.43 0.34 -0.57 0.00 0.00 179.45 178.90 2hft s ASP 66 N -6.71 -0.86 0.53 0.86 -1.08 -1.20 -5.05 116.67 103.16 2hft s ASP 66 Ca -0.06 0.04 0.31 0.00 -0.52 0.00 0.00 52.55 52.31 2hft s ASP 66 Cb 0.18 1.69 1.41 0.00 -1.46 0.00 0.00 42.92 44.75 2hft s ASP 66 CO 0.71 -0.32 2.02 -0.37 0.52 0.00 0.00 175.17 177.73 2hft h VAL 67 N 6.06 0.31 -0.02 1.11 -1.51 -1.71 -2.77 116.25 117.73 2hft h VAL 67 Ca -0.06 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2hft h VAL 67 Cb 1.16 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2hft h VAL 67 CO 0.20 0.09 -0.00 0.29 -1.23 0.00 0.00 177.57 176.92 2hft n LYS 68 N -3.33 1.67 -2.03 5.19 5.02 -1.26 -0.75 118.16 122.66 2hft n LYS 68 Ca -0.01 -0.99 -0.30 0.00 -2.02 0.00 0.00 58.31 54.99 2hft n LYS 68 Cb 0.29 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2hft n LYS 68 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2hft s GLN 69 N -2.01 3.51 -0.16 1.97 2.00 -1.05 -4.97 119.66 118.95 2hft s GLN 69 Ca 0.37 0.60 -0.05 0.00 -2.00 0.00 0.00 55.36 54.28 2hft s GLN 69 Cb 0.21 -2.14 -0.03 0.00 0.80 0.00 0.00 33.01 31.85 2hft s GLN 69 CO 0.34 -0.54 0.00 0.99 -0.50 0.00 0.00 175.29 175.58 2hft s THR 70 N -3.10 4.25 0.18 -0.34 2.01 -1.26 -4.17 115.64 113.21 2hft s THR 70 Ca 0.54 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.39 2hft s THR 70 Cb -0.11 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2hft s THR 70 CO 0.52 0.48 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.55 2hft s TYR 71 N 0.35 2.68 -0.02 4.92 1.51 0.55 0.10 117.35 127.44 2hft s TYR 71 Ca -0.01 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2hft s TYR 71 Cb -0.13 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 2hft s TYR 71 CO 0.02 0.52 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.38 2hft s LEU 72 N -2.87 1.81 0.18 -1.29 1.43 -0.17 -1.21 118.68 116.56 2hft s LEU 72 Ca 0.26 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2hft s LEU 72 Cb -0.09 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 2hft s LEU 72 CO 0.16 0.06 -0.05 0.00 0.23 0.00 0.00 176.35 176.75 2hft s ALA 73 N 0.15 3.05 -0.02 4.21 0.00 -1.26 -1.39 121.76 126.50 2hft s ALA 73 Ca -0.02 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2hft s ALA 73 Cb -0.07 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.24 2hft s ALA 73 CO 0.00 0.46 0.02 0.50 0.00 0.00 0.00 175.76 176.74 2hft s ARG 74 N -2.93 0.09 -0.28 0.00 3.52 -0.22 -0.76 118.95 118.37 2hft s ARG 74 Ca 0.26 0.13 -0.07 0.00 -0.13 0.00 0.00 55.73 55.93 2hft s ARG 74 Cb -0.09 -0.33 -0.00 0.00 -1.56 0.00 0.00 34.95 32.97 2hft s ARG 74 CO 0.17 -0.15 0.07 0.08 -0.81 0.00 0.00 175.30 174.67 2hft s VAL 75 N 0.99 4.07 0.14 7.11 1.01 -0.23 -0.93 120.40 132.57 2hft s VAL 75 Ca -0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2hft s VAL 75 Cb -0.13 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2hft s VAL 75 CO -0.02 0.18 0.37 -0.36 0.00 0.00 0.00 175.10 175.27 2hft s PHE 76 N 1.54 3.48 -0.12 5.22 0.40 -0.47 -1.66 117.98 126.37 2hft s PHE 76 Ca 0.04 0.56 0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2hft s PHE 76 Cb -0.16 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 2hft s PHE 76 CO 0.03 0.44 -0.15 -1.12 0.70 0.00 0.00 175.22 175.11 2hft s SER 77 N -2.40 3.82 0.01 1.36 0.01 -0.38 -2.34 113.70 113.77 2hft s SER 77 Ca 0.41 -0.37 0.07 0.00 1.31 0.00 0.00 55.95 57.36 2hft s SER 77 Cb -0.12 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2hft s SER 77 CO 0.24 0.17 -0.20 -0.31 0.41 0.00 0.00 173.24 173.55 2hft s TYR 78 N 0.33 1.77 0.59 2.43 2.02 0.14 -4.11 117.35 120.53 2hft s TYR 78 Ca -0.12 -0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.03 2hft s TYR 78 Cb -0.16 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 2hft s TYR 78 CO 0.06 0.03 1.27 -1.25 -1.57 0.00 0.00 175.55 174.09 2hft s PRO 79 N -0.80 2.95 -0.04 -1.71 0.04 -1.26 -0.58 135.00 133.60 2hft s PRO 79 Ca 0.07 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2hft s PRO 79 Cb -0.08 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2hft s PRO 79 CO 0.00 -1.27 -0.13 0.00 0.04 0.00 0.00 177.00 175.65 2hft s ALA 80 N -1.46 1.19 0.00 8.56 0.00 -0.80 -4.59 121.76 124.65 2hft s ALA 80 Ca 0.77 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2hft s ALA 80 Cb -0.35 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2hft s ALA 80 CO 0.39 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.75 2hft n GLY 81 N 3.29 -1.96 3.56 0.00 0.00 -1.26 -4.57 105.19 104.24 2hft n GLY 81 Ca -0.19 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 2hft n GLY 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hft s ASN 82 N -3.73 6.02 0.08 1.61 3.84 -1.26 -4.93 114.94 116.57 2hft s ASN 82 Ca 0.00 -0.74 -0.04 0.00 0.21 0.00 0.00 52.86 52.29 2hft s ASN 82 Cb 0.00 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.11 2hft s ASN 82 CO 0.00 -1.92 0.07 0.68 -2.79 0.00 0.00 177.10 173.14 2hft s VAL 83 N 6.53 0.17 -0.63 -5.21 -7.23 -1.26 -5.10 120.40 107.66 2hft s VAL 83 Ca 0.48 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 2hft s VAL 83 Cb -0.06 -1.60 0.16 0.00 0.56 0.00 0.00 36.38 35.44 2hft s VAL 83 CO 0.04 -0.75 0.53 -1.61 -0.31 0.00 0.00 175.10 173.00 2hft s GLU 84 N -3.93 2.97 -0.53 4.82 0.41 -1.26 -5.03 118.70 116.14 2hft s GLU 84 Ca 0.11 -2.11 -0.28 0.00 -0.41 0.00 0.00 54.97 52.28 2hft s GLU 84 Cb 0.07 -4.14 0.01 0.00 -1.78 0.00 0.00 34.13 28.29 2hft s GLU 84 CO -0.07 -1.25 1.45 0.45 -0.49 0.00 0.00 175.26 175.34 2hft s SER 85 N 2.38 6.11 -1.10 -0.19 0.15 -1.26 -4.81 113.70 114.98 2hft s SER 85 Ca 0.11 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 2hft s SER 85 Cb -0.21 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.75 2hft s SER 85 CO -0.03 -1.70 2.22 0.35 1.20 0.00 0.00 173.24 175.28 2hft n THR 86 N 6.93 5.22 -3.70 6.45 -2.24 -1.26 -5.06 114.28 120.62 2hft n THR 86 Ca 0.14 -4.73 -0.23 0.00 -2.27 0.00 0.00 64.05 56.96 2hft n THR 86 Cb 0.49 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 2hft n THR 86 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2hft n GLU 91 N 0.88 -1.42 -1.35 -0.78 2.13 -1.26 -4.73 120.64 114.10 2hft n GLU 91 Ca 0.55 0.81 -0.31 0.00 0.66 0.00 0.00 57.16 58.88 2hft n GLU 91 Cb 0.28 -2.85 0.09 0.00 0.27 0.00 0.00 31.44 29.22 2hft n GLU 91 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2hft s PRO 92 N -4.85 2.32 0.54 5.31 0.04 -1.26 -5.00 135.00 132.11 2hft s PRO 92 Ca 0.04 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 2hft s PRO 92 Cb -0.02 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2hft s PRO 92 CO 0.88 -1.56 1.10 -0.51 0.04 0.00 0.00 177.00 176.94 2hft s LEU 93 N -5.85 3.73 0.14 -3.56 1.43 -1.26 -4.92 118.68 108.40 2hft s LEU 93 Ca 0.61 2.07 -0.24 0.00 -1.03 0.00 0.00 54.13 55.53 2hft s LEU 93 Cb -0.16 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.55 2hft s LEU 93 CO 0.56 -1.13 0.78 -0.72 0.23 0.00 0.00 176.35 176.06 2hft s TYR 94 N -1.91 -0.33 -0.06 0.29 -0.85 -1.26 -1.25 117.35 111.97 2hft s TYR 94 Ca 0.70 0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 57.28 2hft s TYR 94 Cb -0.21 0.60 0.03 0.00 0.38 0.00 0.00 41.96 42.76 2hft s TYR 94 CO 0.27 -0.85 0.15 -2.00 -1.52 0.00 0.00 175.55 171.60 2hft s GLU 95 N -3.52 0.13 0.21 -3.49 2.56 -0.67 -4.87 118.70 109.04 2hft s GLU 95 Ca 0.07 0.30 -0.17 0.00 0.00 0.00 0.00 54.97 55.16 2hft s GLU 95 Cb -0.02 -0.06 -0.08 0.00 2.00 0.00 0.00 34.13 35.97 2hft s GLU 95 CO -0.04 -0.10 0.66 -0.80 -0.56 0.00 0.00 175.26 174.42 2hft s ASN 96 N 0.66 6.94 0.75 -1.70 0.01 -1.26 -1.06 114.94 119.28 2hft s ASN 96 Ca -0.05 1.27 -0.08 0.00 -0.71 0.00 0.00 52.86 53.30 2hft s ASN 96 Cb -0.06 -2.36 0.09 0.00 0.41 0.00 0.00 41.25 39.32 2hft s ASN 96 CO -0.03 0.03 1.08 -0.94 -1.51 0.00 0.00 177.10 175.72 2hft s SER 97 N -1.75 4.51 0.82 -1.22 1.04 0.06 -4.95 113.70 112.21 2hft s SER 97 Ca 0.42 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 2hft s SER 97 Cb -0.15 -0.93 0.09 0.00 0.10 0.00 0.00 66.02 65.12 2hft s SER 97 CO 0.20 -1.81 1.10 -2.84 0.98 0.00 0.00 173.24 170.87 2hft s PRO 98 N -5.37 1.86 0.55 4.02 0.02 -1.26 -4.70 135.00 130.13 2hft s PRO 98 Ca 0.63 0.69 -0.19 0.00 0.02 0.00 0.00 61.00 62.14 2hft s PRO 98 Cb -0.09 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2hft s PRO 98 CO 0.46 -1.79 1.13 -1.21 -0.33 0.00 0.00 177.00 175.27 2hft s GLU 99 N -5.10 3.29 -0.04 5.54 2.02 -1.26 -4.62 118.70 118.53 2hft s GLU 99 Ca 0.61 1.61 -0.02 0.00 0.02 0.00 0.00 54.97 57.20 2hft s GLU 99 Cb -0.15 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.11 2hft s GLU 99 CO 0.55 -0.90 0.07 0.12 0.02 0.00 0.00 175.26 175.12 2hft s PHE 100 N -1.80 0.02 -0.42 1.61 5.36 -0.35 -4.96 117.98 117.43 2hft s PHE 100 Ca 0.73 0.29 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 2hft s PHE 100 Cb -0.24 -0.40 0.11 0.00 -0.34 0.00 0.00 43.02 42.15 2hft s PHE 100 CO 0.28 -0.18 0.18 0.99 -1.46 0.00 0.00 175.22 175.03 2hft s THR 101 N 1.96 2.88 0.25 0.12 2.01 -1.26 -0.33 115.64 121.27 2hft s THR 101 Ca 0.02 -2.43 -0.08 0.00 0.31 0.00 0.00 61.69 59.52 2hft s THR 101 Cb -0.12 -3.01 0.30 0.00 0.01 0.00 0.00 72.50 69.68 2hft s THR 101 CO -0.03 -0.69 1.62 -0.65 -0.69 0.00 0.00 174.62 174.17 2hft h PRO 102 N 7.58 0.06 -1.01 4.92 0.11 -1.72 -0.43 132.00 141.51 2hft h PRO 102 Ca -0.08 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.07 2hft h PRO 102 Cb 1.01 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 2hft h PRO 102 CO 0.63 0.04 0.66 -0.92 -0.21 0.00 0.00 178.00 178.20 2hft h TYR 103 N 0.06 1.23 0.00 0.65 3.20 -1.26 -0.84 116.97 120.02 2hft h TYR 103 Ca 0.41 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2hft h TYR 103 Cb 0.72 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2hft h TYR 103 CO -0.49 0.70 -1.24 1.28 -1.64 0.00 0.00 178.16 176.77 2hft n LEU 104 N -4.45 0.55 -0.02 2.82 4.77 -0.94 -4.62 117.00 115.11 2hft n LEU 104 Ca 0.14 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2hft n LEU 104 Cb 0.11 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2hft n LEU 104 CO 0.34 -0.03 -0.67 -0.62 -1.33 0.00 0.00 177.39 175.07 2hft n GLU 105 N -2.24 1.47 -1.73 3.23 1.02 -0.21 -4.86 120.64 117.31 2hft n GLU 105 Ca 0.00 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 2hft n GLU 105 Cb 0.50 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.71 2hft n GLU 105 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2hft n THR 106 N -2.03 1.22 -2.42 2.62 5.66 -0.34 -4.93 114.28 114.05 2hft n THR 106 Ca -0.07 -0.30 -0.38 0.00 -3.05 0.00 0.00 64.05 60.25 2hft n THR 106 Cb 0.48 -1.86 -0.03 0.00 -1.55 0.00 0.00 70.33 67.37 2hft n THR 106 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2hft s ASN 107 N 0.32 6.70 -0.17 1.09 0.01 -0.26 -4.78 114.94 117.85 2hft s ASN 107 Ca 0.63 2.20 -0.27 0.00 -0.71 0.00 0.00 52.86 54.71 2hft s ASN 107 Cb -0.52 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.53 2hft s ASN 107 CO 0.52 -0.54 0.93 -0.76 -1.51 0.00 0.00 177.10 175.73 2hft s LEU 108 N -2.44 4.17 0.76 0.60 1.43 -1.26 -0.88 118.68 121.06 2hft s LEU 108 Ca 0.56 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 2hft s LEU 108 Cb -0.27 -3.39 0.05 0.00 0.03 0.00 0.00 46.19 42.60 2hft s LEU 108 CO 0.34 -0.48 1.08 -0.83 0.23 0.00 0.00 176.35 176.69 2hft s GLY 109 N 1.16 1.65 0.14 -3.19 0.00 -1.26 -4.51 107.32 101.32 2hft s GLY 109 Ca 0.42 0.05 -0.31 0.00 0.00 0.00 0.00 44.72 44.88 2hft s GLY 109 CO 0.12 0.41 1.72 1.62 0.00 0.00 0.00 173.10 176.97 2hft s GLN 110 N -5.03 4.16 1.00 2.90 0.74 -1.26 -4.75 119.66 117.42 2hft s GLN 110 Ca 0.60 2.50 -0.12 0.00 0.05 0.00 0.00 55.36 58.39 2hft s GLN 110 Cb -0.15 -3.39 0.19 0.00 1.10 0.00 0.00 33.01 30.76 2hft s GLN 110 CO 0.55 -0.76 1.09 -2.14 -0.55 0.00 0.00 175.29 173.49 2hft s PRO 111 N 2.04 0.44 -0.04 1.67 0.02 -1.26 -4.99 135.00 132.88 2hft s PRO 111 Ca 0.76 0.55 -0.02 0.00 0.02 0.00 0.00 61.00 62.32 2hft s PRO 111 Cb -0.45 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.36 2hft s PRO 111 CO 0.33 -2.73 0.10 0.99 -0.33 0.00 0.00 177.00 175.36 2hft s THR 112 N -2.95 -0.05 -0.27 0.99 2.01 -1.26 -4.32 115.64 109.80 2hft s THR 112 Ca 0.65 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 2hft s THR 112 Cb -0.19 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.17 2hft s THR 112 CO 0.58 0.07 1.10 -0.63 -0.69 0.00 0.00 174.62 175.04 2hft s ILE 113 N 0.96 4.52 0.07 1.82 1.01 -1.26 -0.65 121.20 127.67 2hft s ILE 113 Ca -0.08 1.80 -0.16 0.00 0.00 0.00 0.00 60.65 62.21 2hft s ILE 113 Cb -0.10 -4.32 -0.16 0.00 0.01 0.00 0.00 42.46 37.88 2hft s ILE 113 CO -0.04 -0.34 1.27 -0.61 0.00 0.00 0.00 174.94 175.22 2hft h GLN 114 N 7.96 0.64 -1.57 2.79 4.15 -0.70 -3.45 115.11 124.93 2hft h GLN 114 Ca -0.21 -0.50 0.27 0.00 0.77 0.00 0.00 58.65 58.98 2hft h GLN 114 Cb 1.07 0.10 -0.15 0.00 0.21 0.00 0.00 27.48 28.71 2hft h GLN 114 CO 1.01 1.12 0.78 -1.54 -1.93 0.00 0.00 178.83 178.27 2hft s SER 115 N -6.83 -0.12 0.03 -0.69 1.04 -1.04 -5.00 113.70 101.09 2hft s SER 115 Ca -0.12 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.25 2hft s SER 115 Cb 0.07 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 2hft s SER 115 CO 0.86 -0.33 -0.10 0.72 0.98 0.00 0.00 173.24 175.37 2hft s PHE 116 N -2.52 0.85 -0.20 5.02 -0.12 -1.26 -0.51 117.98 119.24 2hft s PHE 116 Ca 0.11 -0.33 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2hft s PHE 116 Cb 0.02 -0.51 0.07 0.00 -0.63 0.00 0.00 43.02 41.96 2hft s PHE 116 CO -0.04 -0.02 0.08 -2.00 -0.05 0.00 0.00 175.22 173.19 2hft s GLU 117 N -1.02 0.29 -0.13 1.99 2.12 0.21 -4.95 118.70 117.20 2hft s GLU 117 Ca -0.02 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.73 2hft s GLU 117 Cb -0.07 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.47 2hft s GLU 117 CO 0.01 -0.72 1.14 -1.14 -0.54 0.00 0.00 175.26 174.00 2hft s GLN 118 N 2.02 4.32 -0.51 4.30 0.74 -1.26 -1.92 119.66 127.36 2hft s GLN 118 Ca 0.02 1.55 0.02 0.00 0.05 0.00 0.00 55.36 57.00 2hft s GLN 118 Cb -0.16 -3.62 0.13 0.00 1.10 0.00 0.00 33.01 30.46 2hft s GLN 118 CO -0.13 -0.51 0.26 0.14 -0.55 0.00 0.00 175.29 174.50 2hft s VAL 119 N 2.66 2.85 0.00 1.34 -7.23 0.30 -4.97 120.40 115.35 2hft s VAL 119 Ca 0.52 -2.99 0.00 0.00 -1.81 0.00 0.00 61.98 57.70 2hft s VAL 119 Cb -0.21 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2hft s VAL 119 CO 0.16 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 2hft n GLY 120 N 3.49 1.45 0.82 2.32 0.00 -1.26 -1.69 105.19 110.32 2hft n GLY 120 Ca 0.05 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2hft n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hft n THR 121 N 0.00 0.90 -4.35 2.61 5.66 -1.26 -4.97 114.28 112.87 2hft n THR 121 Ca 0.00 -0.95 -0.28 0.00 -3.05 0.00 0.00 64.05 59.77 2hft n THR 121 Cb 0.00 0.58 -0.11 0.00 -1.55 0.00 0.00 70.33 69.25 2hft n THR 121 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2hft s LYS 122 N -1.02 1.67 -0.08 1.09 1.02 -0.68 -2.07 119.74 119.66 2hft s LYS 122 Ca 0.29 -1.32 0.03 0.00 0.02 0.00 0.00 55.97 54.98 2hft s LYS 122 Cb 0.16 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2hft s LYS 122 CO 0.21 0.44 -0.16 0.08 -0.92 0.00 0.00 175.35 175.01 2hft s VAL 123 N -1.35 1.43 -0.25 3.17 1.01 -0.51 0.11 120.40 124.01 2hft s VAL 123 Ca 0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2hft s VAL 123 Cb -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2hft s VAL 123 CO 0.10 0.42 0.11 0.21 0.00 0.00 0.00 175.10 175.94 2hft s ASN 124 N 0.66 5.53 -0.22 3.32 3.84 -0.81 -0.65 114.94 126.61 2hft s ASN 124 Ca -0.14 -0.09 -0.04 0.00 0.21 0.00 0.00 52.86 52.80 2hft s ASN 124 Cb -0.16 -2.00 -0.01 0.00 -0.55 0.00 0.00 41.25 38.53 2hft s ASN 124 CO 0.04 -0.01 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.63 2hft s VAL 125 N 1.46 3.60 -0.11 -5.21 1.01 0.37 -0.62 120.40 120.89 2hft s VAL 125 Ca 0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2hft s VAL 125 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2hft s VAL 125 CO 0.06 0.42 -0.04 -0.89 0.00 0.00 0.00 175.10 174.64 2hft s THR 126 N 1.35 3.87 -0.14 3.92 2.01 0.33 -0.64 115.64 126.34 2hft s THR 126 Ca 0.04 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 2hft s THR 126 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2hft s THR 126 CO -0.01 0.55 0.12 -0.69 -0.69 0.00 0.00 174.62 173.91 2hft s VAL 127 N -0.28 5.36 0.16 3.82 1.01 0.53 0.02 120.40 131.01 2hft s VAL 127 Ca 0.05 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 2hft s VAL 127 Cb -0.13 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 2hft s VAL 127 CO 0.02 0.56 1.63 -0.70 0.00 0.00 0.00 175.10 176.61 2hft s GLU 128 N -0.55 4.19 -0.48 2.72 2.12 0.17 -4.72 118.70 122.15 2hft s GLU 128 Ca 0.12 2.42 -0.13 0.00 0.36 0.00 0.00 54.97 57.74 2hft s GLU 128 Cb -0.12 -3.24 0.10 0.00 0.26 0.00 0.00 34.13 31.13 2hft s GLU 128 CO 0.02 -0.67 0.39 0.34 -0.54 0.00 0.00 175.26 174.80 2hft s ASP 129 N 1.45 5.99 0.28 -1.70 2.15 -1.26 -4.75 116.67 118.84 2hft s ASP 129 Ca 0.72 -1.60 -0.29 0.00 0.43 0.00 0.00 52.55 51.81 2hft s ASP 129 Cb -0.44 -2.13 -0.10 0.00 -0.30 0.00 0.00 42.92 39.95 2hft s ASP 129 CO 0.32 -0.70 1.22 -1.61 -0.17 0.00 0.00 175.17 174.23 2hft s GLU 130 N 1.54 4.48 0.58 4.34 2.02 -1.26 -4.83 118.70 125.57 2hft s GLU 130 Ca 0.04 2.01 -0.17 0.00 0.02 0.00 0.00 54.97 56.87 2hft s GLU 130 Cb -0.26 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2hft s GLU 130 CO 0.03 -0.04 1.07 -0.98 0.02 0.00 0.00 175.26 175.36 2hft s ARG 131 N -1.29 3.32 0.33 1.61 1.70 -1.26 -1.05 118.95 122.32 2hft s ARG 131 Ca 0.49 1.31 0.03 0.00 -0.47 0.00 0.00 55.73 57.09 2hft s ARG 131 Cb -0.36 -2.03 -0.04 0.00 -0.57 0.00 0.00 34.95 31.95 2hft s ARG 131 CO 0.45 -0.82 0.11 0.95 -1.08 0.00 0.00 175.30 174.91 2hft s THR 132 N -2.27 0.70 -2.32 4.99 -4.23 -0.85 -4.77 115.64 106.88 2hft s THR 132 Ca 0.66 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.38 2hft s THR 132 Cb -0.18 -2.57 0.44 0.00 1.34 0.00 0.00 72.50 71.53 2hft s THR 132 CO 0.33 0.00 1.48 0.18 -0.54 0.00 0.00 174.62 176.08 2hft n LEU 133 N -0.69 2.23 -4.71 4.79 4.77 -1.26 -4.27 117.00 117.85 2hft n LEU 133 Ca -0.02 -0.95 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 2hft n LEU 133 Cb 0.66 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2hft n LEU 133 CO 0.38 0.48 0.98 -0.69 -1.33 0.00 0.00 177.39 177.20 2hft s VAL 134 N -1.68 3.70 0.18 4.08 1.01 -1.26 -4.92 120.40 121.51 2hft s VAL 134 Ca 0.34 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.57 2hft s VAL 134 Cb 0.19 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2hft s VAL 134 CO 0.27 0.08 0.22 -0.13 0.00 0.00 0.00 175.10 175.55 2hft s ARG 135 N 1.21 3.16 -0.25 2.72 1.81 -1.26 0.09 118.95 126.43 2hft s ARG 135 Ca 0.62 -0.78 -0.02 0.00 -1.72 0.00 0.00 55.73 53.83 2hft s ARG 135 Cb -0.33 -2.78 0.13 0.00 -0.45 0.00 0.00 34.95 31.52 2hft s ARG 135 CO 0.29 0.48 0.33 0.50 -0.68 0.00 0.00 175.30 176.22 2hft s ARG 136 N -3.34 0.31 7.80 3.54 3.52 -0.74 -4.86 118.95 125.19 2hft s ARG 136 Ca 0.33 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2hft s ARG 136 Cb -0.10 -0.67 0.00 0.00 -1.56 0.00 0.00 34.95 32.62 2hft s ARG 136 CO 0.26 -0.77 0.00 0.09 -0.81 0.00 0.00 175.30 174.07 2hft n ASN 137 N 5.34 0.00 -2.49 -2.12 3.02 -1.26 -2.77 115.26 114.97 2hft n ASN 137 Ca -0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 2hft n ASN 137 Cb 0.49 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.69 2hft n ASN 137 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2hft n ASN 138 N 7.14 6.21 -3.83 6.41 4.13 -1.26 -4.96 115.26 129.10 2hft n ASN 138 Ca 0.00 -3.78 -0.09 0.00 1.68 0.00 0.00 54.58 52.39 2hft n ASN 138 Cb 0.00 -0.72 -0.07 0.00 -1.54 0.00 0.00 39.78 37.44 2hft n ASN 138 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2hft s THR 139 N -5.08 0.13 -0.05 3.41 -1.32 -1.12 -5.16 115.64 106.45 2hft s THR 139 Ca 0.53 -1.05 -0.04 0.00 -1.21 0.00 0.00 61.69 59.92 2hft s THR 139 Cb 0.44 -1.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.15 2hft s THR 139 CO -0.18 -0.58 0.16 -0.36 -2.21 0.00 0.00 174.62 171.46 2hft s PHE 140 N -3.58 3.56 0.16 9.09 0.08 -1.26 -1.79 117.98 124.23 2hft s PHE 140 Ca 0.03 0.42 -0.18 0.00 0.12 0.00 0.00 56.93 57.32 2hft s PHE 140 Cb 0.03 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.54 2hft s PHE 140 CO -0.10 0.68 0.63 -0.51 -0.10 0.00 0.00 175.22 175.82 2hft s LEU 141 N -1.58 4.40 0.80 -0.37 1.43 0.11 -4.88 118.68 118.59 2hft s LEU 141 Ca 0.22 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 2hft s LEU 141 Cb -0.12 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 42.90 2hft s LEU 141 CO 0.13 0.13 1.15 -0.94 0.23 0.00 0.00 176.35 177.05 2hft s SER 142 N -1.52 4.41 0.21 2.29 1.04 -1.26 -2.01 113.70 116.86 2hft s SER 142 Ca 0.37 0.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 2hft s SER 142 Cb -0.17 -1.09 0.19 0.00 0.10 0.00 0.00 66.02 65.05 2hft s SER 142 CO 0.20 -1.93 1.87 0.25 0.98 0.00 0.00 173.24 174.61 2hft h LEU 143 N -1.00 0.82 -0.94 2.42 5.85 -1.39 -1.13 115.31 119.94 2hft h LEU 143 Ca -0.45 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 2hft h LEU 143 Cb 1.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2hft h LEU 143 CO 0.61 0.58 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.95 2hft h ARG 144 N 0.97 0.49 -0.70 1.25 9.65 -1.93 -1.76 114.38 122.35 2hft h ARG 144 Ca 0.29 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2hft h ARG 144 Cb -0.03 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 2hft h ARG 144 CO -0.09 0.70 0.27 -0.44 2.80 0.00 0.00 179.97 183.21 2hft h ASP 145 N 0.44 0.97 0.03 -3.80 3.32 -1.60 0.14 116.42 115.92 2hft h ASP 145 Ca 0.07 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2hft h ASP 145 Cb 0.66 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2hft h ASP 145 CO 0.05 0.88 -0.01 0.58 -1.72 0.00 0.00 179.24 179.02 2hft h VAL 146 N 1.00 1.29 0.00 -1.35 2.07 -0.92 -3.35 116.25 114.99 2hft h VAL 146 Ca 0.23 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 2hft h VAL 146 Cb 0.22 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2hft h VAL 146 CO -0.02 0.26 -0.67 -0.26 0.02 0.00 0.00 177.57 176.91 2hft h PHE 147 N -0.49 0.00 0.00 1.57 0.04 -1.35 -3.49 116.94 113.21 2hft h PHE 147 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2hft h PHE 147 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2hft h PHE 147 CO 0.08 0.26 0.00 0.41 -0.60 0.00 0.00 178.31 178.46 2hft n GLY 148 N 1.21 3.29 0.05 -1.45 0.00 0.04 -1.56 105.19 106.77 2hft n GLY 148 Ca -0.00 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.98 2hft n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hft n LYS 149 N 14.00 0.07 0.23 1.61 5.02 -1.26 -2.57 118.16 135.25 2hft n LYS 149 Ca 0.00 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.71 2hft n LYS 149 Cb 0.00 -1.64 0.54 0.00 -0.02 0.00 0.00 35.03 33.91 2hft n LYS 149 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2hft h ASP 150 N 0.00 0.00 -3.44 4.39 3.32 -1.68 -3.43 116.42 115.58 2hft h ASP 150 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2hft h ASP 150 Cb 0.27 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.72 2hft h ASP 150 CO 0.00 0.23 -0.04 -0.22 -1.72 0.00 0.00 179.24 177.49 2hft s LEU 151 N -7.45 4.16 -0.04 1.55 2.96 -1.06 -4.24 118.68 114.56 2hft s LEU 151 Ca -0.02 0.71 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 2hft s LEU 151 Cb 0.13 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2hft s LEU 151 CO 0.64 -0.16 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.69 2hft s ILE 152 N 1.52 1.56 -0.04 6.68 -1.09 -0.13 -4.52 121.20 125.19 2hft s ILE 152 Ca 0.25 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2hft s ILE 152 Cb -0.15 -1.34 -0.03 0.00 -1.58 0.00 0.00 42.46 39.36 2hft s ILE 152 CO 0.10 0.45 0.00 -0.31 -1.23 0.00 0.00 174.94 173.94 2hft s TYR 153 N -0.05 3.11 -0.15 3.97 2.02 -0.13 -0.55 117.35 125.56 2hft s TYR 153 Ca -0.03 0.13 -0.03 0.00 -0.37 0.00 0.00 57.07 56.77 2hft s TYR 153 Cb -0.12 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2hft s TYR 153 CO 0.02 0.46 -0.06 0.99 -1.57 0.00 0.00 175.55 175.39 2hft s THR 154 N -0.99 3.65 -0.18 -0.71 2.01 0.38 -1.66 115.64 118.14 2hft s THR 154 Ca 0.17 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 2hft s THR 154 Cb -0.11 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2hft s THR 154 CO 0.07 0.49 0.07 -0.22 -0.69 0.00 0.00 174.62 174.34 2hft s LEU 155 N 0.44 3.87 -0.14 4.42 2.96 0.33 -0.88 118.68 129.67 2hft s LEU 155 Ca -0.05 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2hft s LEU 155 Cb -0.15 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2hft s LEU 155 CO 0.03 0.19 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.84 2hft s TYR 156 N 0.26 2.87 0.03 5.38 2.02 0.49 -1.65 117.35 126.74 2hft s TYR 156 Ca 0.04 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2hft s TYR 156 Cb -0.12 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2hft s TYR 156 CO 0.00 -0.20 -0.02 1.52 -1.57 0.00 0.00 175.55 175.27 2hft s TYR 157 N 0.44 0.31 -0.12 2.71 1.13 -0.47 -1.48 117.35 119.87 2hft s TYR 157 Ca -0.08 -0.64 -0.32 0.00 -1.41 0.00 0.00 57.07 54.62 2hft s TYR 157 Cb -0.15 -0.23 0.13 0.00 -1.10 0.00 0.00 41.96 40.60 2hft s TYR 157 CO 0.04 -0.24 1.08 1.67 -2.51 0.00 0.00 175.55 175.59 2hft s TRP 158 N -2.03 -0.22 0.42 -3.49 -2.14 -0.99 -0.83 118.94 109.66 2hft s TRP 158 Ca -0.11 0.17 0.07 0.00 2.66 0.00 0.00 56.10 58.90 2hft s TRP 158 Cb -0.06 0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 30.80 2hft s TRP 158 CO -0.03 -0.33 0.27 -1.59 -2.66 0.00 0.00 176.95 172.60 2hft s LYS 159 N -2.52 2.34 -0.34 3.25 -2.85 -1.26 -0.81 119.74 117.55 2hft s LYS 159 Ca 0.07 -1.74 -0.10 0.00 -1.00 0.00 0.00 55.97 53.20 2hft s LYS 159 Cb -0.01 -2.14 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 2hft s LYS 159 CO -0.06 -0.18 0.16 -1.12 0.10 0.00 0.00 175.35 174.26 2hft s SER 160 N -4.01 5.56 0.38 0.03 0.01 -1.26 -4.96 113.70 109.44 2hft s SER 160 Ca 0.43 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2hft s SER 160 Cb 0.01 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2hft s SER 160 CO 0.24 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.39 2hft n SER 163 N 4.95 -3.44 -4.00 2.44 7.64 -1.26 -5.19 113.62 114.76 2hft n SER 163 Ca -0.13 0.76 -0.09 0.00 1.01 0.00 0.00 58.87 60.43 2hft n SER 163 Cb 0.47 3.28 -0.11 0.00 -1.01 0.00 0.00 64.21 66.84 2hft n SER 163 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hft s GLY 164 N -1.82 0.29 0.01 0.23 0.00 -1.26 -5.15 107.32 99.61 2hft s GLY 164 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 2hft s GLY 164 CO 0.00 -0.82 0.49 0.54 0.00 0.00 0.00 173.10 173.31 2hft s LYS 165 N -2.10 4.10 0.36 2.90 1.02 -1.26 -4.84 119.74 119.92 2hft s LYS 165 Ca -0.10 0.55 -0.03 0.00 0.02 0.00 0.00 55.97 56.41 2hft s LYS 165 Cb -0.05 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2hft s LYS 165 CO -0.03 0.58 0.62 0.15 -0.92 0.00 0.00 175.35 175.74 2hft s LYS 166 N -0.79 3.57 0.10 1.68 1.02 -0.01 -4.88 119.74 120.43 2hft s LYS 166 Ca 0.26 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.25 2hft s LYS 166 Cb -0.18 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 2hft s LYS 166 CO 0.15 0.08 -0.09 0.95 -0.92 0.00 0.00 175.35 175.52 2hft s THR 167 N -2.33 0.84 0.06 2.17 -4.23 -1.26 -1.37 115.64 109.52 2hft s THR 167 Ca 0.44 -1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 2hft s THR 167 Cb -0.10 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 2hft s THR 167 CO 0.36 -0.67 0.13 0.00 -0.54 0.00 0.00 174.62 173.90 2hft s ALA 168 N -2.85 -0.10 0.10 3.99 0.00 -0.66 -4.98 121.76 117.26 2hft s ALA 168 Ca 0.07 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2hft s ALA 168 Cb -0.00 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2hft s ALA 168 CO -0.02 -0.41 -0.10 0.15 0.00 0.00 0.00 175.76 175.38 2hft s LYS 169 N -3.31 0.85 -0.05 0.00 1.02 -1.26 -0.52 119.74 116.48 2hft s LYS 169 Ca 0.01 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.56 2hft s LYS 169 Cb 0.03 -0.52 0.06 0.00 -0.52 0.00 0.00 37.83 36.88 2hft s LYS 169 CO -0.08 0.08 0.59 -0.08 -0.92 0.00 0.00 175.35 174.94 2hft s THR 170 N -2.51 0.01 -0.55 2.17 -1.32 -0.66 -4.99 115.64 107.79 2hft s THR 170 Ca 0.06 -0.11 0.16 0.00 -1.21 0.00 0.00 61.69 60.59 2hft s THR 170 Cb -0.02 -0.91 0.69 0.00 -1.51 0.00 0.00 72.50 70.75 2hft s THR 170 CO -0.00 -0.06 1.61 -0.46 -2.21 0.00 0.00 174.62 173.50 2hft n ASN 171 N 1.04 4.85 -0.25 8.08 6.94 -1.26 -0.96 115.26 133.69 2hft n ASN 171 Ca -0.19 -2.74 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 2hft n ASN 171 Cb 0.57 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 2hft n ASN 171 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2hft n THR 172 N 0.52 0.00 -0.71 5.53 -2.24 -1.26 -4.80 114.28 111.32 2hft n THR 172 Ca 0.25 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.10 2hft n THR 172 Cb 0.99 -0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.46 2hft n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hft n ASN 173 N -0.13 3.78 -3.90 3.42 4.13 -1.26 -4.73 115.26 116.57 2hft n ASN 173 Ca 0.00 -2.65 -0.10 0.00 1.68 0.00 0.00 54.58 53.51 2hft n ASN 173 Cb 0.00 -0.46 -0.09 0.00 -1.54 0.00 0.00 39.78 37.69 2hft n ASN 173 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2hft s GLU 174 N -2.18 0.64 0.01 3.52 -1.05 -1.26 -0.35 118.70 118.03 2hft s GLU 174 Ca 0.38 -0.74 0.06 0.00 -0.15 0.00 0.00 54.97 54.52 2hft s GLU 174 Cb 0.28 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2hft s GLU 174 CO 0.13 -0.17 -0.18 -0.06 0.95 0.00 0.00 175.26 175.93 2hft s PHE 175 N -2.70 1.62 -0.22 4.83 0.40 0.19 -4.88 117.98 117.22 2hft s PHE 175 Ca -0.04 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2hft s PHE 175 Cb -0.01 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.56 2hft s PHE 175 CO -0.05 0.01 -0.08 -1.17 0.70 0.00 0.00 175.22 174.63 2hft s LEU 176 N -0.71 2.49 0.33 -0.37 2.96 -1.26 -0.48 118.68 121.65 2hft s LEU 176 Ca 0.06 -1.05 0.10 0.00 -0.22 0.00 0.00 54.13 53.03 2hft s LEU 176 Cb -0.08 -1.23 -0.06 0.00 0.50 0.00 0.00 46.19 45.32 2hft s LEU 176 CO 0.00 -0.19 -0.11 0.27 -1.32 0.00 0.00 176.35 175.01 2hft s ILE 177 N 1.37 2.30 -0.17 6.68 -4.36 0.18 -4.97 121.20 122.23 2hft s ILE 177 Ca -0.04 -2.23 -0.11 0.00 -0.26 0.00 0.00 60.65 58.02 2hft s ILE 177 Cb -0.18 -2.60 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 2hft s ILE 177 CO -0.07 -0.23 0.19 -1.81 0.24 0.00 0.00 174.94 173.26 2hft s ASP 178 N -3.60 6.33 0.16 4.36 1.01 -1.26 -1.42 116.67 122.25 2hft s ASP 178 Ca 0.32 0.38 0.10 0.00 0.71 0.00 0.00 52.55 54.06 2hft s ASP 178 Cb 0.01 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2hft s ASP 178 CO 0.16 0.20 -0.18 0.68 0.21 0.00 0.00 175.17 176.25 2hft s VAL 179 N 0.09 2.79 0.05 -1.27 -7.23 -0.88 -4.95 120.40 109.01 2hft s VAL 179 Ca 0.12 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.28 2hft s VAL 179 Cb -0.12 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2hft s VAL 179 CO 0.01 -0.02 1.20 -1.81 -0.31 0.00 0.00 175.10 174.17 2hft s ASP 180 N -2.49 7.08 0.30 4.85 1.01 -1.26 -4.88 116.67 121.28 2hft s ASP 180 Ca 0.21 2.00 -0.30 0.00 0.71 0.00 0.00 52.55 55.17 2hft s ASP 180 Cb -0.09 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 2hft s ASP 180 CO 0.11 -0.48 1.52 1.17 0.21 0.00 0.00 175.17 177.71 2hft n LYS 181 N 4.01 2.53 -3.14 8.23 4.81 -1.26 -2.84 118.16 130.49 2hft n LYS 181 Ca 0.09 0.90 -0.15 0.00 -0.87 0.00 0.00 58.31 58.28 2hft n LYS 181 Cb 0.46 -2.63 0.06 0.00 0.02 0.00 0.00 35.03 32.94 2hft n LYS 181 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hft n GLY 182 N 1.82 -0.08 2.91 3.14 0.00 -1.26 -5.03 105.19 106.68 2hft n GLY 182 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2hft n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hft s GLU 183 N -5.53 0.07 -0.29 1.61 0.41 -1.13 -5.12 118.70 108.72 2hft s GLU 183 Ca 0.25 0.23 -0.16 0.00 -0.41 0.00 0.00 54.97 54.88 2hft s GLU 183 Cb -0.11 -0.10 -0.03 0.00 -1.78 0.00 0.00 34.13 32.11 2hft s GLU 183 CO 0.50 -0.10 0.40 -0.80 -0.49 0.00 0.00 175.26 174.77 2hft s ASN 184 N 0.70 6.27 0.09 -0.19 0.02 -1.26 -4.91 114.94 115.66 2hft s ASN 184 Ca -0.05 0.19 -0.02 0.00 -1.02 0.00 0.00 52.86 51.96 2hft s ASN 184 Cb -0.07 -2.22 -0.05 0.00 0.02 0.00 0.00 41.25 38.93 2hft s ASN 184 CO -0.03 -0.26 0.27 -0.31 0.02 0.00 0.00 177.10 176.80 2hft s TYR 185 N 2.13 3.50 0.06 2.20 1.51 -1.26 -4.44 117.35 121.05 2hft s TYR 185 Ca 0.16 0.37 0.06 0.00 -1.01 0.00 0.00 57.07 56.65 2hft s TYR 185 Cb -0.16 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2hft s TYR 185 CO 0.11 0.53 -0.12 0.00 -1.11 0.00 0.00 175.55 174.96 2hft s PHE 187 N -1.08 0.84 -0.07 0.00 0.08 0.10 -2.35 117.98 115.50 2hft s PHE 187 Ca 0.18 -0.66 -0.16 0.00 0.12 0.00 0.00 56.93 56.41 2hft s PHE 187 Cb -0.11 -0.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.89 2hft s PHE 187 CO 0.10 -0.08 0.38 -1.54 -0.10 0.00 0.00 175.22 173.97 2hft s SER 188 N -2.21 -0.32 0.09 1.36 1.04 -0.55 -1.79 113.70 111.32 2hft s SER 188 Ca 0.00 0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.93 2hft s SER 188 Cb -0.04 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2hft s SER 188 CO -0.01 -0.34 -0.19 0.68 0.98 0.00 0.00 173.24 174.36 2hft s VAL 189 N -0.72 1.54 -0.00 5.02 -7.23 -1.26 -0.38 120.40 117.37 2hft s VAL 189 Ca -0.08 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2hft s VAL 189 Cb -0.04 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2hft s VAL 189 CO 0.03 -0.08 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.05 2hft s GLN 190 N -1.80 0.83 0.00 4.82 0.74 -0.06 -0.71 119.66 123.49 2hft s GLN 190 Ca 0.04 -0.42 -0.15 0.00 0.05 0.00 0.00 55.36 54.88 2hft s GLN 190 Cb -0.10 -0.80 -0.06 0.00 1.10 0.00 0.00 33.01 33.15 2hft s GLN 190 CO 0.04 0.22 0.42 0.00 -0.55 0.00 0.00 175.29 175.41 2hft s ALA 191 N -0.34 3.69 -0.08 1.58 0.00 -1.26 -0.47 121.76 124.88 2hft s ALA 191 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 2hft s ALA 191 Cb -0.05 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2hft s ALA 191 CO -0.00 0.48 0.21 0.08 0.00 0.00 0.00 175.76 176.52 2hft s VAL 192 N -1.08 0.00 -0.56 0.00 1.01 0.28 -1.37 120.40 118.68 2hft s VAL 192 Ca 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2hft s VAL 192 Cb -0.17 -0.30 0.14 0.00 0.00 0.00 0.00 36.38 36.06 2hft s VAL 192 CO 0.14 -0.00 0.32 -0.63 0.00 0.00 0.00 175.10 174.92 2hft s ILE 193 N 0.10 2.60 0.49 2.22 1.01 -0.45 -0.96 121.20 126.21 2hft s ILE 193 Ca -0.00 -3.54 0.26 0.00 0.00 0.00 0.00 60.65 57.37 2hft s ILE 193 Cb -0.01 -2.78 0.44 0.00 0.01 0.00 0.00 42.46 40.11 2hft s ILE 193 CO 0.00 -0.86 1.88 1.55 0.00 0.00 0.00 174.94 177.51 2hft h PRO 194 N 6.21 0.15 0.00 2.79 0.13 -1.83 -1.73 132.00 137.71 2hft h PRO 194 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2hft h PRO 194 Cb 0.86 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2hft h PRO 194 CO 0.69 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 177.42 2hft n SER 195 N -4.37 0.34 -4.80 1.44 3.41 -1.26 -4.80 113.62 103.59 2hft n SER 195 Ca 0.19 0.58 -0.31 0.00 -0.26 0.00 0.00 58.87 59.07 2hft n SER 195 Cb 0.85 -0.65 0.07 0.00 -0.26 0.00 0.00 64.21 64.22 2hft n SER 195 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2hft s ARG 196 N -3.14 2.50 -0.11 4.33 0.52 -0.65 -4.97 118.95 117.43 2hft s ARG 196 Ca 0.06 0.93 0.15 0.00 -0.52 0.00 0.00 55.73 56.36 2hft s ARG 196 Cb 0.10 -1.94 -0.22 0.00 0.52 0.00 0.00 34.95 33.41 2hft s ARG 196 CO 0.36 -1.40 0.17 0.25 0.02 0.00 0.00 175.30 174.70 2hft n THR 197 N -3.33 0.70 -4.22 0.02 -2.24 -1.26 -4.89 114.28 99.06 2hft n THR 197 Ca 0.08 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 2hft n THR 197 Cb 0.54 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 2hft n THR 197 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2hft s VAL 198 N -2.68 0.97 -1.46 2.28 1.01 -1.26 -4.85 120.40 114.41 2hft s VAL 198 Ca -0.07 -2.01 -0.08 0.00 0.00 0.00 0.00 61.98 59.82 2hft s VAL 198 Cb 0.07 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.71 2hft s VAL 198 CO 0.68 -0.79 0.79 -3.20 0.00 0.00 0.00 175.10 172.58 2hft n ASN 199 N -0.14 -2.81 0.14 3.32 4.05 -1.26 -4.89 115.26 113.66 2hft n ASN 199 Ca -0.11 -0.85 0.00 0.00 0.45 0.00 0.00 54.58 54.07 2hft n ASN 199 Cb 0.61 -3.71 0.13 0.00 1.23 0.00 0.00 39.78 38.04 2hft n ASN 199 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2hft h ARG 200 N -1.93 0.00 -5.86 1.20 3.08 -1.89 -3.45 114.38 105.54 2hft h ARG 200 Ca -0.60 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 58.95 2hft h ARG 200 Cb 1.37 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.22 2hft h ARG 200 CO 0.64 0.61 -0.80 0.15 -1.07 0.00 0.00 179.97 179.50 2hft s LYS 201 N -3.29 1.09 0.75 0.04 1.02 -1.26 -1.35 119.74 116.75 2hft s LYS 201 Ca 0.01 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 2hft s LYS 201 Cb 0.11 -1.21 0.14 0.00 -0.52 0.00 0.00 37.83 36.35 2hft s LYS 201 CO 0.75 0.26 1.03 -1.54 -0.92 0.00 0.00 175.35 174.93 2hft s SER 202 N -2.15 4.18 0.80 2.83 1.04 -0.47 -4.76 113.70 115.16 2hft s SER 202 Ca 0.08 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 2hft s SER 202 Cb -0.08 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.23 2hft s SER 202 CO 0.04 -1.98 1.15 0.42 0.98 0.00 0.00 173.24 173.85 2hft s THR 203 N -3.21 2.06 0.36 2.02 -4.23 -1.26 -4.70 115.64 106.68 2hft s THR 203 Ca 0.68 -0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.88 2hft s THR 203 Cb -0.04 -3.00 -0.10 0.00 1.34 0.00 0.00 72.50 70.70 2hft s THR 203 CO 0.45 0.00 0.98 -1.81 -0.54 0.00 0.00 174.62 173.70 2hft s ASP 204 N -4.59 7.09 0.91 3.99 1.01 -1.26 -4.42 116.67 119.41 2hft s ASP 204 Ca 0.62 1.87 -0.11 0.00 0.71 0.00 0.00 52.55 55.64 2hft s ASP 204 Cb -0.10 -2.57 0.14 0.00 1.01 0.00 0.00 42.92 41.39 2hft s ASP 204 CO 0.48 -0.25 1.09 -0.94 0.21 0.00 0.00 175.17 175.77 2hft s SER 205 N -1.70 3.29 0.63 0.27 1.04 0.12 -4.81 113.70 112.54 2hft s SER 205 Ca 0.55 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 58.34 2hft s SER 205 Cb -0.18 -2.21 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 2hft s SER 205 CO 0.23 -2.76 1.18 -2.84 0.98 0.00 0.00 173.24 170.04 2hft s PRO 206 N -4.89 2.78 0.27 4.02 0.02 -1.26 -4.62 135.00 131.33 2hft s PRO 206 Ca 0.64 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 2hft s PRO 206 Cb -0.19 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 2hft s PRO 206 CO 0.57 -1.33 1.02 0.08 -0.33 0.00 0.00 177.00 177.01 2hft s VAL 207 N -1.82 3.80 -0.03 3.83 1.01 -1.26 -4.74 120.40 121.18 2hft s VAL 207 Ca 0.75 1.77 0.03 0.00 0.00 0.00 0.00 61.98 64.53 2hft s VAL 207 Cb -0.28 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2hft s VAL 207 CO 0.37 0.39 -0.13 -1.61 0.00 0.00 0.00 175.10 174.12 2hft s GLU 208 N -1.41 1.37 0.15 2.72 0.41 -0.74 -4.97 118.70 116.23 2hft s GLU 208 Ca 0.44 -0.46 0.09 0.00 -0.41 0.00 0.00 54.97 54.63 2hft s GLU 208 Cb -0.28 -1.23 -0.04 0.00 -1.78 0.00 0.00 34.13 30.80 2hft s GLU 208 CO 0.35 0.18 -0.19 0.00 -0.49 0.00 0.00 175.26 175.11 2hft s MET 210 N -2.56 4.78 0.00 0.00 -1.94 0.16 -4.98 119.30 114.75 2hft s MET 210 Ca 0.13 1.61 0.00 0.00 -1.71 0.00 0.00 55.69 55.72 2hft s MET 210 Cb -0.07 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.52 2hft s MET 210 CO 0.06 0.40 0.00 0.41 -0.01 0.00 0.00 175.02 175.88