#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hks h LYS 17 N 0.00 0.00 -4.51 -1.46 1.79 -1.97 -3.47 116.57 106.94 3hks h LYS 17 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 3hks h LYS 17 Cb 0.00 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.50 3hks h LYS 17 CO 0.00 0.06 -0.68 0.95 -1.08 0.00 0.00 179.45 178.70 3hks s THR 18 N -3.23 0.45 0.05 -0.16 -4.23 -1.26 -1.76 115.64 105.51 3hks s THR 18 Ca 0.04 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3hks s THR 18 Cb 0.07 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 3hks s THR 18 CO 0.73 -0.78 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.23 3hks s TYR 19 N -3.79 0.72 0.15 3.99 1.13 -0.24 -4.92 117.35 114.39 3hks s TYR 19 Ca 0.14 -0.55 -0.30 0.00 -1.41 0.00 0.00 57.07 54.95 3hks s TYR 19 Cb 0.07 -0.43 -0.07 0.00 -1.10 0.00 0.00 41.96 40.43 3hks s TYR 19 CO -0.04 -0.09 1.10 -1.25 -2.51 0.00 0.00 175.55 172.77 3hks s PRO 20 N -1.87 4.57 -0.01 -3.49 0.04 -1.26 -0.31 135.00 132.67 3hks s PRO 20 Ca -0.07 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.69 3hks s PRO 20 Cb -0.08 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 3hks s PRO 20 CO -0.00 0.02 -0.07 -1.14 0.04 0.00 0.00 177.00 175.84 3hks s GLN 21 N -0.04 0.62 0.00 4.56 2.00 0.34 -4.93 119.66 122.22 3hks s GLN 21 Ca 0.51 -0.25 -0.35 0.00 -2.00 0.00 0.00 55.36 53.27 3hks s GLN 21 Cb -0.29 -0.60 -0.13 0.00 0.80 0.00 0.00 33.01 32.79 3hks s GLN 21 CO 0.33 0.14 1.70 0.45 -0.50 0.00 0.00 175.29 177.41 3hks n SER 22 N 2.97 3.02 -0.30 6.67 2.88 -1.26 -0.15 113.62 127.45 3hks n SER 22 Ca -0.14 1.04 0.07 0.00 -1.33 0.00 0.00 58.87 58.51 3hks n SER 22 Cb 0.57 -1.35 0.23 0.00 -0.75 0.00 0.00 64.21 62.91 3hks n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hks h ALA 23 N 7.29 1.30 0.00 -1.46 0.00 -1.07 -0.78 119.26 124.54 3hks h ALA 23 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hks h ALA 23 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hks h ALA 23 CO 0.91 -0.08 0.17 0.78 0.00 0.00 0.00 179.25 181.03 3hks h GLY 24 N 0.64 0.00 0.05 0.00 0.00 -1.24 -2.46 103.07 100.06 3hks h GLY 24 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3hks h GLY 24 CO -0.36 0.00 -0.62 0.70 0.00 0.00 0.00 176.54 176.26 3hks n ASN 25 N -2.92 1.13 -4.75 0.19 4.13 -0.30 -4.94 115.26 107.80 3hks n ASN 25 Ca -0.02 -0.92 -0.41 0.00 1.68 0.00 0.00 54.58 54.91 3hks n ASN 25 Cb 0.23 0.54 -0.04 0.00 -1.54 0.00 0.00 39.78 38.97 3hks n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hks s ILE 26 N -2.79 3.39 0.09 2.41 -1.09 -0.93 -5.04 121.20 117.25 3hks s ILE 26 Ca 0.14 1.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 3hks s ILE 26 Cb 0.17 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 3hks s ILE 26 CO 0.70 0.28 -0.11 -0.13 -1.23 0.00 0.00 174.94 174.45 3hks s ARG 27 N -1.09 0.83 0.12 2.79 1.81 -1.26 -5.03 118.95 117.12 3hks s ARG 27 Ca 0.48 -1.10 -0.35 0.00 -1.72 0.00 0.00 55.73 53.04 3hks s ARG 27 Cb -0.33 -0.58 -0.16 0.00 -0.45 0.00 0.00 34.95 33.42 3hks s ARG 27 CO 0.41 0.10 1.22 1.17 -0.68 0.00 0.00 175.30 177.52 3hks n LYS 28 N 0.74 1.04 0.00 3.54 4.81 -1.26 -1.05 118.16 125.97 3hks n LYS 28 Ca -0.17 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3hks n LYS 28 Cb 0.57 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3hks n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hks n GLY 29 N 2.19 3.40 3.36 3.14 0.00 0.16 -5.00 105.19 112.45 3hks n GLY 29 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3hks n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hks n GLY 30 N -1.87 -1.35 3.43 -0.02 0.00 -0.22 -4.73 105.19 100.42 3hks n GLY 30 Ca 0.00 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 3hks n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hks s HIS 31 N -3.49 2.30 -0.02 1.61 3.76 -1.26 -0.20 115.29 117.99 3hks s HIS 31 Ca 0.65 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 55.08 3hks s HIS 31 Cb -0.02 -1.12 0.02 0.00 1.11 0.00 0.00 32.58 32.57 3hks s HIS 31 CO 0.46 0.53 0.26 -1.50 -0.85 0.00 0.00 174.74 173.64 3hks s ILE 32 N -1.78 0.06 -0.29 0.60 2.07 -0.61 -4.54 121.20 116.70 3hks s ILE 32 Ca 0.22 -0.51 -0.19 0.00 -1.41 0.00 0.00 60.65 58.76 3hks s ILE 32 Cb -0.08 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 3hks s ILE 32 CO 0.11 -0.28 0.57 -0.69 -1.91 0.00 0.00 174.94 172.74 3hks s VAL 33 N -1.25 5.00 -0.11 4.00 1.01 0.13 -1.31 120.40 127.86 3hks s VAL 33 Ca -0.13 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3hks s VAL 33 Cb -0.06 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.40 3hks s VAL 33 CO 0.03 -0.06 -0.21 -0.63 0.00 0.00 0.00 175.10 174.23 3hks s ILE 34 N 2.47 1.90 -1.52 2.22 1.01 -0.84 -4.68 121.20 121.75 3hks s ILE 34 Ca 0.23 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3hks s ILE 34 Cb -0.15 -1.67 0.07 0.00 0.01 0.00 0.00 42.46 40.71 3hks s ILE 34 CO 0.11 0.52 0.63 0.29 0.00 0.00 0.00 174.94 176.49 3hks n LYS 35 N 3.83 -3.59 -1.23 2.79 4.76 -1.26 -0.94 118.16 122.53 3hks n LYS 35 Ca -0.20 0.42 -0.08 0.00 -2.87 0.00 0.00 58.31 55.59 3hks n LYS 35 Cb 0.52 -4.87 -0.03 0.00 -1.84 0.00 0.00 35.03 28.81 3hks n LYS 35 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hks n ASN 36 N -2.85 -5.20 -4.59 4.39 3.02 -1.26 -5.00 115.26 103.77 3hks n ASN 36 Ca -0.13 0.19 -0.34 0.00 -0.03 0.00 0.00 54.58 54.27 3hks n ASN 36 Cb 0.60 -3.38 -0.11 0.00 -0.61 0.00 0.00 39.78 36.28 3hks n ASN 36 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hks s ARG 37 N -2.43 3.01 -0.15 3.52 1.81 -0.11 -5.09 118.95 119.51 3hks s ARG 37 Ca 0.00 -0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 3hks s ARG 37 Cb 0.00 -2.72 -0.01 0.00 -0.45 0.00 0.00 34.95 31.77 3hks s ARG 37 CO 0.00 0.59 1.05 -1.25 -0.68 0.00 0.00 175.30 175.01 3hks s PRO 38 N -0.58 4.35 0.07 3.54 0.04 -1.26 -1.99 135.00 139.17 3hks s PRO 38 Ca 0.09 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.61 3hks s PRO 38 Cb -0.12 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 3hks s PRO 38 CO 0.02 -0.45 -0.16 0.00 0.04 0.00 0.00 177.00 176.45 3hks s LYS 40 N -1.61 4.30 -0.10 0.00 2.20 0.11 -1.57 119.74 123.07 3hks s LYS 40 Ca 0.01 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 3hks s LYS 40 Cb -0.09 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 3hks s LYS 40 CO 0.02 0.20 1.20 0.08 -0.36 0.00 0.00 175.35 176.49 3hks s VAL 41 N 0.55 4.31 -0.09 4.02 1.01 0.72 0.04 120.40 130.96 3hks s VAL 41 Ca 0.21 1.61 0.10 0.00 0.00 0.00 0.00 61.98 63.91 3hks s VAL 41 Cb -0.14 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 3hks s VAL 41 CO 0.07 -0.05 0.26 1.33 0.00 0.00 0.00 175.10 176.71 3hks n VAL 42 N 4.88 0.00 -3.70 2.92 0.24 0.08 0.39 118.33 123.13 3hks n VAL 42 Ca 0.12 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 3hks n VAL 42 Cb 0.46 0.38 -0.10 0.00 -1.47 0.00 0.00 33.84 33.12 3hks n VAL 42 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3hks s GLU 43 N -2.59 0.51 -0.09 7.34 2.12 -0.83 -4.90 118.70 120.25 3hks s GLU 43 Ca -0.03 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.08 3hks s GLU 43 Cb 0.07 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.62 3hks s GLU 43 CO 0.43 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.91 3hks s VAL 44 N 0.74 1.84 -0.15 3.70 1.01 -1.26 -0.86 120.40 125.43 3hks s VAL 44 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3hks s VAL 44 Cb -0.05 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.74 3hks s VAL 44 CO -0.05 0.51 -0.16 -0.55 0.00 0.00 0.00 175.10 174.85 3hks s SER 45 N 0.42 2.76 -0.14 3.32 0.15 -0.22 -4.98 113.70 115.00 3hks s SER 45 Ca -0.18 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 55.97 3hks s SER 45 Cb -0.17 -1.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 3hks s SER 45 CO 0.08 -0.02 -0.17 -0.89 1.20 0.00 0.00 173.24 173.43 3hks s THR 46 N 1.32 1.75 0.00 6.45 2.01 -1.26 0.47 115.64 126.39 3hks s THR 46 Ca 0.02 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3hks s THR 46 Cb -0.13 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3hks s THR 46 CO -0.09 0.49 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.79 3hks s SER 47 N 1.17 1.18 -0.25 3.53 0.01 -0.46 -4.97 113.70 113.91 3hks s SER 47 Ca -0.01 -0.23 -0.20 0.00 1.31 0.00 0.00 55.95 56.82 3hks s SER 47 Cb -0.14 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 3hks s SER 47 CO -0.07 0.09 0.63 -0.54 0.41 0.00 0.00 173.24 173.76 3hks s LYS 48 N -0.40 4.11 0.10 12.44 3.01 -1.26 0.13 119.74 137.87 3hks s LYS 48 Ca 0.03 0.55 0.07 0.00 -1.01 0.00 0.00 55.97 55.60 3hks s LYS 48 Cb -0.05 -3.65 -0.04 0.00 -1.01 0.00 0.00 37.83 33.09 3hks s LYS 48 CO -0.00 -0.41 -0.09 0.95 0.51 0.00 0.00 175.35 176.31 3hks s THR 49 N 2.49 3.43 0.00 2.17 -4.23 0.81 -4.84 115.64 115.47 3hks s THR 49 Ca 0.26 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3hks s THR 49 Cb -0.15 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3hks s THR 49 CO 0.08 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 3hks n GLY 50 N 0.69 -0.68 0.03 3.99 0.00 -1.25 -3.76 105.19 104.22 3hks n GLY 50 Ca -0.13 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.68 3hks n GLY 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hks n LYS 51 N 0.00 0.71 -0.74 1.61 2.85 -1.26 -4.56 118.16 116.77 3hks n LYS 51 Ca 0.00 -0.13 0.04 0.00 -1.05 0.00 0.00 58.31 57.17 3hks n LYS 51 Cb 0.00 -1.48 0.32 0.00 -0.65 0.00 0.00 35.03 33.22 3hks n LYS 51 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3hks n HIS 52 N -2.35 1.73 0.00 5.58 8.25 -1.26 -5.01 115.22 122.16 3hks n HIS 52 Ca -0.12 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 3hks n HIS 52 Cb 0.71 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3hks n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hks n GLY 53 N 0.43 1.54 1.98 -1.41 0.00 -1.26 -5.00 105.19 101.48 3hks n GLY 53 Ca 0.24 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 3hks n GLY 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hks n HIS 54 N 1.45 -1.36 -2.49 1.61 -0.00 -1.25 -0.14 115.22 113.04 3hks n HIS 54 Ca 0.00 0.57 -0.41 0.00 -0.00 0.00 0.00 57.72 57.88 3hks n HIS 54 Cb 0.00 -2.45 -0.04 0.00 -0.00 0.00 0.00 29.99 27.49 3hks n HIS 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hks s ALA 55 N -1.28 3.39 -0.10 1.57 0.00 -1.26 -1.07 121.76 123.02 3hks s ALA 55 Ca 0.06 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 3hks s ALA 55 Cb -0.02 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3hks s ALA 55 CO 0.29 -0.17 -0.07 0.15 0.00 0.00 0.00 175.76 175.95 3hks s LYS 56 N -0.98 3.07 -0.23 0.00 -0.14 0.12 -0.72 119.74 120.86 3hks s LYS 56 Ca 0.47 -0.56 -0.05 0.00 -1.36 0.00 0.00 55.97 54.46 3hks s LYS 56 Cb -0.31 -2.67 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 3hks s LYS 56 CO 0.38 0.49 0.01 0.00 -0.76 0.00 0.00 175.35 175.47 3hks s HIS 58 N 1.47 3.21 -0.15 0.00 2.46 0.18 -0.97 115.29 121.49 3hks s HIS 58 Ca 0.05 0.14 -0.07 0.00 0.47 0.00 0.00 55.06 55.65 3hks s HIS 58 Cb -0.15 -2.70 -0.04 0.00 -0.13 0.00 0.00 32.58 29.56 3hks s HIS 58 CO 0.00 -0.40 0.10 -0.06 -2.47 0.00 0.00 174.74 171.91 3hks s PHE 59 N 2.12 3.41 -0.20 3.88 0.08 0.42 -1.06 117.98 126.63 3hks s PHE 59 Ca 0.14 0.33 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 3hks s PHE 59 Cb -0.16 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 3hks s PHE 59 CO 0.12 0.47 -0.08 0.08 -0.10 0.00 0.00 175.22 175.70 3hks s VAL 60 N -0.39 3.14 0.09 -0.44 1.01 -0.04 -2.19 120.40 121.58 3hks s VAL 60 Ca 0.10 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3hks s VAL 60 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3hks s VAL 60 CO 0.02 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 3hks s ALA 61 N 1.30 1.00 -0.24 5.51 0.00 0.14 -0.75 121.76 128.72 3hks s ALA 61 Ca 0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3hks s ALA 61 Cb -0.14 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3hks s ALA 61 CO -0.04 -0.05 -0.06 0.42 0.00 0.00 0.00 175.76 176.04 3hks s ILE 62 N -2.34 3.03 -0.07 0.00 -1.09 0.11 -0.20 121.20 120.64 3hks s ILE 62 Ca 0.03 -0.84 -0.38 0.00 -2.23 0.00 0.00 60.65 57.23 3hks s ILE 62 Cb -0.03 -2.48 -0.16 0.00 -1.58 0.00 0.00 42.46 38.21 3hks s ILE 62 CO -0.00 0.28 1.57 -0.67 -1.23 0.00 0.00 174.94 174.88 3hks n ASP 63 N 4.72 2.22 0.25 3.58 -0.08 0.60 -0.71 116.55 127.12 3hks n ASP 63 Ca -0.17 1.09 0.14 0.00 -1.51 0.00 0.00 54.79 54.34 3hks n ASP 63 Cb 0.48 -1.21 0.47 0.00 2.34 0.00 0.00 41.12 43.21 3hks n ASP 63 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3hks h ILE 64 N 4.30 0.10 0.00 5.18 3.07 -1.54 -0.18 117.51 128.45 3hks h ILE 64 Ca -0.47 -0.80 -0.36 0.00 1.55 0.00 0.00 64.86 64.78 3hks h ILE 64 Cb 1.32 1.73 -0.07 0.00 -0.27 0.00 0.00 36.82 39.53 3hks h ILE 64 CO 0.87 0.05 -2.29 0.49 -1.05 0.00 0.00 178.15 176.23 3hks n PHE 65 N -3.14 0.17 0.00 0.16 3.72 -1.26 -4.68 117.46 112.43 3hks n PHE 65 Ca 0.02 0.06 0.05 0.00 -0.05 0.00 0.00 57.45 57.52 3hks n PHE 65 Cb 0.41 -1.03 -0.07 0.00 -0.94 0.00 0.00 39.48 37.84 3hks n PHE 65 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3hks n THR 66 N -2.85 0.00 -0.78 4.37 -1.04 -1.22 -5.01 114.28 107.76 3hks n THR 66 Ca -0.31 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 3hks n THR 66 Cb 1.13 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.93 3hks n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hks n ALA 67 N -1.82 0.00 -1.80 2.41 0.00 -0.08 -4.99 120.51 114.23 3hks n ALA 67 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 3hks n ALA 67 Cb 0.24 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 3hks n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hks s LYS 68 N -0.80 4.28 -0.07 0.00 2.20 -1.26 -4.61 119.74 119.48 3hks s LYS 68 Ca 0.00 2.32 -0.27 0.00 -0.36 0.00 0.00 55.97 57.66 3hks s LYS 68 Cb 0.00 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 3hks s LYS 68 CO 0.00 -0.33 0.86 0.21 -0.36 0.00 0.00 175.35 175.73 3hks s LYS 69 N -1.46 4.44 0.15 4.03 2.20 -1.26 -0.29 119.74 127.54 3hks s LYS 69 Ca 0.53 1.14 0.07 0.00 -0.36 0.00 0.00 55.97 57.36 3hks s LYS 69 Cb -0.42 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 3hks s LYS 69 CO 0.52 -0.11 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.73 3hks s LEU 70 N 1.33 2.42 0.02 5.43 1.43 0.72 -4.97 118.68 125.07 3hks s LEU 70 Ca 0.44 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3hks s LEU 70 Cb -0.19 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 3hks s LEU 70 CO 0.20 -0.08 -0.03 -1.61 0.23 0.00 0.00 176.35 175.06 3hks s GLU 71 N -2.72 0.35 0.11 1.70 2.02 -1.26 -0.68 118.70 118.23 3hks s GLU 71 Ca 0.13 -0.69 -0.21 0.00 0.02 0.00 0.00 54.97 54.22 3hks s GLU 71 Cb -0.05 0.11 0.05 0.00 0.10 0.00 0.00 34.13 34.34 3hks s GLU 71 CO 0.05 -0.05 0.51 0.34 0.02 0.00 0.00 175.26 176.13 3hks s ASP 72 N -1.65 -0.42 -0.13 -0.19 2.15 -0.93 -5.01 116.67 110.49 3hks s ASP 72 Ca -0.13 -0.05 0.02 0.00 0.43 0.00 0.00 52.55 52.83 3hks s ASP 72 Cb -0.08 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.08 3hks s ASP 72 CO -0.02 -0.86 -0.21 -0.63 -0.17 0.00 0.00 175.17 173.28 3hks s ILE 73 N -3.38 1.93 -0.03 4.11 1.01 -1.26 -0.43 121.20 123.14 3hks s ILE 73 Ca -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hks s ILE 73 Cb 0.00 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.78 3hks s ILE 73 CO -0.09 0.53 -0.05 -0.69 0.00 0.00 0.00 174.94 174.63 3hks s VAL 74 N 0.80 0.53 0.25 2.92 1.01 -0.14 -4.93 120.40 120.83 3hks s VAL 74 Ca -0.08 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3hks s VAL 74 Cb -0.16 -0.53 -0.14 0.00 0.00 0.00 0.00 36.38 35.55 3hks s VAL 74 CO -0.01 0.20 1.21 -2.65 0.00 0.00 0.00 175.10 173.86 3hks n PRO 75 N 3.73 1.62 -0.10 2.72 -0.02 -1.26 -0.43 135.00 141.26 3hks n PRO 75 Ca -0.22 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.02 3hks n PRO 75 Cb 0.52 -2.10 0.61 0.00 -0.02 0.00 0.00 33.50 32.51 3hks n PRO 75 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hks h SER 76 N 3.14 0.19 0.66 2.55 4.64 -1.25 -1.44 113.55 122.04 3hks h SER 76 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3hks h SER 76 Cb 1.31 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3hks h SER 76 CO 0.68 0.09 -0.38 -1.54 -0.87 0.00 0.00 176.83 174.81 3hks n SER 77 N -4.42 0.40 -4.91 4.97 3.41 -1.26 -0.83 113.62 110.98 3hks n SER 77 Ca 0.13 -0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.44 3hks n SER 77 Cb 0.62 0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.68 3hks n SER 77 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hks s HIS 78 N -3.01 3.09 0.05 7.33 4.02 -0.54 -4.87 115.29 121.36 3hks s HIS 78 Ca 0.11 0.68 -0.06 0.00 1.02 0.00 0.00 55.06 56.81 3hks s HIS 78 Cb 0.17 -3.11 -0.05 0.00 -1.02 0.00 0.00 32.58 28.57 3hks s HIS 78 CO 0.66 -1.28 0.31 -0.80 1.02 0.00 0.00 174.74 174.65 3hks s ASN 79 N -4.44 6.51 0.21 1.40 0.01 -1.26 -1.08 114.94 116.29 3hks s ASN 79 Ca 0.58 0.59 0.07 0.00 -0.71 0.00 0.00 52.86 53.40 3hks s ASN 79 Cb -0.11 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 3hks s ASN 79 CO 0.47 0.19 0.08 0.00 -1.51 0.00 0.00 177.10 176.33 3hks s ASP 81 N -3.36 6.97 -0.19 0.00 1.01 -1.26 -0.50 116.67 119.35 3hks s ASP 81 Ca 0.30 1.16 -0.04 0.00 0.71 0.00 0.00 52.55 54.68 3hks s ASP 81 Cb -0.08 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 3hks s ASP 81 CO 0.22 0.05 -0.02 -0.69 0.21 0.00 0.00 175.17 174.93 3hks s VAL 82 N 0.06 3.85 0.14 -1.27 1.01 0.58 -0.69 120.40 124.08 3hks s VAL 82 Ca 0.32 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 3hks s VAL 82 Cb -0.18 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 3hks s VAL 82 CO 0.17 0.45 0.76 -2.16 0.00 0.00 0.00 175.10 174.33 3hks s PRO 83 N 0.83 4.54 0.16 2.72 0.04 -1.26 -1.07 135.00 140.95 3hks s PRO 83 Ca -0.00 1.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 3hks s PRO 83 Cb -0.14 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 3hks s PRO 83 CO 0.02 0.54 1.34 -1.01 0.04 0.00 0.00 177.00 177.93 3hks s HIS 84 N -1.01 3.25 -0.10 0.56 3.76 -0.72 -4.87 115.29 116.15 3hks s HIS 84 Ca 0.36 1.11 0.01 0.00 -0.15 0.00 0.00 55.06 56.38 3hks s HIS 84 Cb -0.23 -3.64 0.02 0.00 1.11 0.00 0.00 32.58 29.85 3hks s HIS 84 CO 0.25 -2.09 -0.10 0.08 -0.85 0.00 0.00 174.74 172.03 3hks s VAL 85 N 0.54 1.15 0.00 -0.90 1.01 -1.26 -4.26 120.40 116.68 3hks s VAL 85 Ca 0.60 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3hks s VAL 85 Cb -0.37 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 3hks s VAL 85 CO 0.35 0.38 -0.14 0.20 0.00 0.00 0.00 175.10 175.89 3hks s ASN 86 N 1.35 4.09 -0.13 3.32 -0.87 -0.35 -4.98 114.94 117.36 3hks s ASN 86 Ca -0.01 -0.28 0.02 0.00 -1.57 0.00 0.00 52.86 51.02 3hks s ASN 86 Cb -0.14 -0.81 0.01 0.00 -0.02 0.00 0.00 41.25 40.30 3hks s ASN 86 CO -0.05 0.29 -0.19 -0.60 -2.57 0.00 0.00 177.10 173.99 3hks s ARG 87 N -1.19 2.62 -0.03 -0.60 3.52 -1.26 -0.78 118.95 121.23 3hks s ARG 87 Ca 0.14 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 55.05 3hks s ARG 87 Cb -0.11 -2.17 0.02 0.00 -1.56 0.00 0.00 34.95 31.13 3hks s ARG 87 CO 0.04 -0.05 -0.04 0.08 -0.81 0.00 0.00 175.30 174.53 3hks s VAL 88 N 0.92 0.42 -0.08 7.11 1.01 -0.02 -4.95 120.40 124.82 3hks s VAL 88 Ca -0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3hks s VAL 88 Cb -0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3hks s VAL 88 CO -0.02 0.18 0.36 -1.81 0.00 0.00 0.00 175.10 173.81 3hks s ASP 89 N 0.65 6.64 -0.02 3.32 1.01 -1.26 0.27 116.67 127.29 3hks s ASP 89 Ca -0.08 0.76 0.04 0.00 0.71 0.00 0.00 52.55 53.98 3hks s ASP 89 Cb -0.11 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 3hks s ASP 89 CO -0.00 0.20 -0.14 -0.31 0.21 0.00 0.00 175.17 175.12 3hks s TYR 90 N -0.28 1.32 0.22 4.23 1.51 -0.24 -4.97 117.35 119.14 3hks s TYR 90 Ca 0.21 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 3hks s TYR 90 Cb -0.15 -0.86 -0.09 0.00 -0.11 0.00 0.00 41.96 40.75 3hks s TYR 90 CO 0.09 -0.05 1.36 -0.65 -1.11 0.00 0.00 175.55 175.20 3hks s GLN 91 N -0.24 4.34 -0.01 -0.62 -0.21 -1.25 -1.00 119.66 120.66 3hks s GLN 91 Ca 0.04 2.16 -0.30 0.00 0.02 0.00 0.00 55.36 57.28 3hks s GLN 91 Cb -0.07 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 3hks s GLN 91 CO -0.00 -0.32 0.97 -1.17 -2.12 0.00 0.00 175.29 172.65 3hks s LEU 92 N -0.23 4.36 -0.23 2.90 2.96 0.03 -0.26 118.68 128.21 3hks s LEU 92 Ca 0.58 1.63 -0.03 0.00 -0.22 0.00 0.00 54.13 56.08 3hks s LEU 92 Cb -0.39 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.63 3hks s LEU 92 CO 0.40 -0.26 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.55 3hks n ILE 93 N 3.94 1.29 -3.57 6.68 5.41 0.67 -4.72 119.36 129.06 3hks n ILE 93 Ca 0.06 -0.43 -0.14 0.00 1.00 0.00 0.00 62.75 63.23 3hks n ILE 93 Cb 0.51 -1.48 -0.05 0.00 -0.71 0.00 0.00 39.64 37.91 3hks n ILE 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hks s ASP 94 N -6.51 -0.46 -0.14 4.38 2.15 -1.08 -4.97 116.67 110.06 3hks s ASP 94 Ca -0.31 0.23 -0.00 0.00 0.43 0.00 0.00 52.55 52.89 3hks s ASP 94 Cb 0.10 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.24 3hks s ASP 94 CO 0.48 -0.70 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.08 3hks s ILE 95 N -2.29 1.10 0.47 4.11 1.01 -1.26 -0.82 121.20 123.53 3hks s ILE 95 Ca -0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3hks s ILE 95 Cb -0.01 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3hks s ILE 95 CO -0.00 0.28 0.77 0.42 0.00 0.00 0.00 174.94 176.40 3hks s THR 96 N 1.66 4.88 0.55 2.92 -4.23 -0.32 -4.97 115.64 116.14 3hks s THR 96 Ca 0.03 0.13 0.31 0.00 -1.18 0.00 0.00 61.69 60.98 3hks s THR 96 Cb -0.14 -3.85 0.35 0.00 1.34 0.00 0.00 72.50 70.20 3hks s THR 96 CO -0.08 -0.81 2.22 -0.33 -0.54 0.00 0.00 174.62 175.08 3hks h GLU 97 N 0.26 0.00 -0.19 3.99 5.08 -2.01 0.31 114.58 122.02 3hks h GLU 97 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hks h GLU 97 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hks h GLU 97 CO 0.62 0.03 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 3hks n ASP 98 N -3.73 1.33 0.00 1.42 5.68 -1.26 -4.93 116.55 115.06 3hks n ASP 98 Ca -0.03 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 3hks n ASP 98 Cb 0.12 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3hks n ASP 98 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hks n GLY 99 N 0.98 0.58 3.87 6.12 0.00 0.10 -5.01 105.19 111.83 3hks n GLY 99 Ca 0.12 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3hks n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hks s PHE 100 N -2.00 3.43 0.09 1.61 0.08 -1.26 -0.78 117.98 119.16 3hks s PHE 100 Ca 0.00 1.09 0.08 0.00 0.12 0.00 0.00 56.93 58.22 3hks s PHE 100 Cb 0.00 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3hks s PHE 100 CO 0.00 -0.01 -0.15 0.14 -0.10 0.00 0.00 175.22 175.09 3hks s VAL 101 N -2.20 3.01 -0.14 -0.44 -7.23 0.23 -1.18 120.40 112.44 3hks s VAL 101 Ca 0.52 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 3hks s VAL 101 Cb -0.10 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 3hks s VAL 101 CO 0.26 0.16 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.54 3hks s SER 102 N -1.99 4.06 0.01 4.85 0.15 0.00 -4.36 113.70 116.43 3hks s SER 102 Ca 0.18 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.58 3hks s SER 102 Cb -0.11 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 3hks s SER 102 CO 0.10 0.14 -0.26 -0.76 1.20 0.00 0.00 173.24 173.66 3hks s LEU 103 N 0.52 2.10 -0.16 3.45 1.43 -0.27 -0.24 118.68 125.53 3hks s LEU 103 Ca -0.08 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 3hks s LEU 103 Cb -0.16 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3hks s LEU 103 CO 0.04 0.28 0.72 -0.22 0.23 0.00 0.00 176.35 177.40 3hks s LEU 104 N -0.89 4.19 0.52 1.79 2.96 0.64 -0.75 118.68 127.13 3hks s LEU 104 Ca 0.10 1.03 -0.09 0.00 -0.22 0.00 0.00 54.13 54.95 3hks s LEU 104 Cb -0.10 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 3hks s LEU 104 CO 0.00 -0.28 0.89 -0.89 -1.32 0.00 0.00 176.35 174.75 3hks s THR 105 N 1.76 4.78 -0.94 3.68 2.01 -0.58 -3.91 115.64 122.43 3hks s THR 105 Ca 0.34 0.62 0.19 0.00 0.31 0.00 0.00 61.69 63.16 3hks s THR 105 Cb -0.16 -3.83 0.17 0.00 0.01 0.00 0.00 72.50 68.68 3hks s THR 105 CO 0.13 -0.88 1.61 -0.90 -0.69 0.00 0.00 174.62 173.88 3hks n ASP 106 N -2.20 0.10 -1.24 3.53 5.68 -1.26 -1.45 116.55 119.70 3hks n ASP 106 Ca 0.03 0.52 0.11 0.00 -0.50 0.00 0.00 54.79 54.96 3hks n ASP 106 Cb 0.54 -0.54 0.29 0.00 -1.14 0.00 0.00 41.12 40.27 3hks n ASP 106 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hks n SER 107 N -1.60 3.63 0.00 -1.12 3.41 -1.26 -4.95 113.62 111.73 3hks n SER 107 Ca 0.04 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3hks n SER 107 Cb 0.22 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3hks n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hks n GLY 108 N 1.58 0.52 0.00 5.00 0.00 -0.53 -5.05 105.19 106.71 3hks n GLY 108 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hks n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hks n GLY 109 N -2.86 0.91 3.10 -0.02 0.00 -1.26 -4.86 105.19 100.20 3hks n GLY 109 Ca 0.00 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 3hks n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hks s THR 110 N 0.85 0.91 -0.25 2.61 -4.23 -1.26 -1.52 115.64 112.74 3hks s THR 110 Ca 0.00 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 3hks s THR 110 Cb 0.00 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 73.03 3hks s THR 110 CO 0.00 -0.03 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.24 3hks s LYS 111 N -1.03 2.85 -0.02 3.99 2.20 0.07 -4.88 119.74 122.91 3hks s LYS 111 Ca -0.00 -0.97 0.03 0.00 -0.36 0.00 0.00 55.97 54.67 3hks s LYS 111 Cb -0.07 -3.01 0.05 0.00 -1.51 0.00 0.00 37.83 33.29 3hks s LYS 111 CO 0.01 -0.40 0.90 -0.25 -0.36 0.00 0.00 175.35 175.25 3hks n ASP 112 N 4.68 1.40 -0.15 1.43 8.00 -1.26 -1.11 116.55 129.55 3hks n ASP 112 Ca -0.16 -1.94 0.13 0.00 0.71 0.00 0.00 54.79 53.52 3hks n ASP 112 Cb 0.47 -0.09 0.37 0.00 -0.02 0.00 0.00 41.12 41.85 3hks n ASP 112 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3hks n ASP 113 N -0.50 0.77 -4.84 -2.24 5.75 -1.26 -4.72 116.55 109.51 3hks n ASP 113 Ca 0.03 -0.61 -0.38 0.00 -0.01 0.00 0.00 54.79 53.82 3hks n ASP 113 Cb 0.42 0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 3hks n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hks s LEU 114 N -2.67 4.43 0.43 -2.12 1.43 -1.26 -5.01 118.68 113.90 3hks s LEU 114 Ca 0.20 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 3hks s LEU 114 Cb 0.19 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3hks s LEU 114 CO 0.57 0.33 0.63 -0.54 0.23 0.00 0.00 176.35 177.57 3hks s LYS 115 N -0.90 3.09 0.26 1.70 1.02 -1.26 -0.60 119.74 123.04 3hks s LYS 115 Ca 0.20 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 3hks s LYS 115 Cb -0.15 -2.60 -0.14 0.00 -0.52 0.00 0.00 37.83 34.42 3hks s LYS 115 CO 0.10 -0.20 1.17 1.28 -0.92 0.00 0.00 175.35 176.78 3hks n LEU 116 N -2.00 2.24 -4.68 3.17 4.32 0.04 -4.76 117.00 115.34 3hks n LEU 116 Ca 0.01 1.17 -0.35 0.00 -0.02 0.00 0.00 56.01 56.82 3hks n LEU 116 Cb 0.58 -1.33 0.10 0.00 -1.62 0.00 0.00 43.42 41.15 3hks n LEU 116 CO 0.47 -1.06 0.72 -0.81 -1.22 0.00 0.00 177.39 175.49 3hks n PRO 117 N 1.25 0.47 0.13 3.23 -0.04 -1.26 -4.90 135.00 133.87 3hks n PRO 117 Ca 0.11 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3hks n PRO 117 Cb 0.31 -2.39 0.60 0.00 -0.04 0.00 0.00 33.50 31.97 3hks n PRO 117 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hks h THR 118 N -0.42 0.95 -2.85 0.52 2.02 -1.92 -3.43 112.91 107.79 3hks h THR 118 Ca -0.48 -0.05 -0.56 0.00 0.77 0.00 0.00 66.41 66.09 3hks h THR 118 Cb 1.32 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3hks h THR 118 CO 0.48 0.02 0.98 -0.62 0.37 0.00 0.00 175.52 176.75 3hks s ASP 119 N -6.74 6.78 0.25 4.18 -1.08 -1.26 -4.92 116.67 113.87 3hks s ASP 119 Ca -0.06 1.76 -0.05 0.00 -0.52 0.00 0.00 52.55 53.68 3hks s ASP 119 Cb 0.18 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.39 3hks s ASP 119 CO 0.70 -0.90 1.91 0.44 0.52 0.00 0.00 175.17 177.84 3hks h ASP 120 N 8.96 1.10 -0.51 -0.34 3.32 -1.99 -1.35 116.42 125.61 3hks h ASP 120 Ca -0.30 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3hks h ASP 120 Cb 1.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3hks h ASP 120 CO 0.98 0.83 0.24 1.23 -1.72 0.00 0.00 179.24 180.80 3hks h GLY 121 N 1.28 0.80 0.90 2.75 0.00 -1.96 0.17 103.07 107.01 3hks h GLY 121 Ca 0.33 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3hks h GLY 121 CO -0.07 0.39 -0.11 1.41 0.00 0.00 0.00 176.54 178.16 3hks h LEU 122 N 0.69 0.61 -0.68 3.11 4.07 -1.91 -2.28 115.31 118.92 3hks h LEU 122 Ca 0.18 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 3hks h LEU 122 Cb 0.14 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 3hks h LEU 122 CO -0.02 0.86 0.36 0.74 -1.08 0.00 0.00 178.44 179.30 3hks h THR 123 N 0.35 1.22 -0.50 0.22 2.02 -1.17 -2.11 112.91 112.95 3hks h THR 123 Ca 0.07 -0.56 -0.11 0.00 0.77 0.00 0.00 66.41 66.58 3hks h THR 123 Cb 0.62 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3hks h THR 123 CO 0.04 0.24 -0.14 0.00 0.37 0.00 0.00 175.52 176.03 3hks h ALA 124 N 1.18 0.81 -0.55 6.16 0.00 -0.98 -1.49 119.26 124.38 3hks h ALA 124 Ca 0.24 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hks h ALA 124 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hks h ALA 124 CO -0.04 0.66 0.30 1.96 0.00 0.00 0.00 179.25 182.13 3hks h GLN 125 N 0.84 0.55 0.09 0.00 4.20 -1.28 0.20 115.11 119.72 3hks h GLN 125 Ca 0.13 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hks h GLN 125 Cb 0.69 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3hks h GLN 125 CO 0.05 0.37 -0.04 0.52 -0.67 0.00 0.00 178.83 179.06 3hks h MET 126 N 0.57 -0.11 -0.08 1.46 2.86 -1.25 -0.06 114.93 118.32 3hks h MET 126 Ca 0.24 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3hks h MET 126 Cb 0.12 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hks h MET 126 CO -0.15 0.17 0.05 0.00 1.06 0.00 0.00 176.91 178.03 3hks h ARG 127 N -0.39 0.11 -0.37 1.72 3.08 -1.20 -0.78 114.38 116.55 3hks h ARG 127 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3hks h ARG 127 Cb 0.33 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3hks h ARG 127 CO 0.02 0.10 0.11 1.25 -1.07 0.00 0.00 179.97 180.38 3hks h LEU 128 N 0.08 0.55 -0.80 3.04 5.85 -0.66 -0.03 115.31 123.34 3hks h LEU 128 Ca 0.03 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3hks h LEU 128 Cb 0.02 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3hks h LEU 128 CO -0.01 0.62 0.39 1.23 -0.34 0.00 0.00 178.44 180.34 3hks h GLY 129 N 0.45 1.22 0.84 3.75 0.00 -0.94 -1.40 103.07 106.99 3hks h GLY 129 Ca 0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3hks h GLY 129 CO -0.00 0.57 -0.16 -2.75 0.00 0.00 0.00 176.54 174.19 3hks h PHE 130 N 1.12 -0.42 -0.65 5.60 3.57 -1.01 0.24 116.94 125.38 3hks h PHE 130 Ca 0.27 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.90 3hks h PHE 130 Cb 0.10 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3hks h PHE 130 CO 0.01 -0.16 0.44 -0.44 -2.23 0.00 0.00 178.31 175.93 3hks h ASP 131 N -0.62 0.27 0.14 0.41 3.32 -0.86 -1.28 116.42 117.81 3hks h ASP 131 Ca -0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hks h ASP 131 Cb 0.45 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3hks h ASP 131 CO 0.08 0.15 -0.10 -0.62 -1.72 0.00 0.00 179.24 177.03 3hks n GLU 132 N -4.45 1.16 -1.61 3.56 1.02 -0.54 -4.93 120.64 114.85 3hks n GLU 132 Ca 0.12 -0.58 -0.04 0.00 -0.02 0.00 0.00 57.16 56.65 3hks n GLU 132 Cb 0.51 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3hks n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hks n GLY 133 N 1.23 0.43 3.82 0.62 0.00 -0.48 -5.03 105.19 105.77 3hks n GLY 133 Ca 0.17 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3hks n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hks s LYS 134 N -3.28 4.23 -0.50 1.61 3.01 0.05 -5.01 119.74 119.84 3hks s LYS 134 Ca 0.00 1.08 -0.24 0.00 -1.01 0.00 0.00 55.97 55.81 3hks s LYS 134 Cb 0.00 -2.26 0.04 0.00 -1.01 0.00 0.00 37.83 34.59 3hks s LYS 134 CO 0.00 0.02 0.87 -0.51 0.51 0.00 0.00 175.35 176.24 3hks s ASP 135 N -2.14 6.38 -0.11 2.83 1.01 -1.26 -4.57 116.67 118.81 3hks s ASP 135 Ca 0.60 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 53.58 3hks s ASP 135 Cb -0.10 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3hks s ASP 135 CO 0.14 -1.08 0.07 -0.63 0.21 0.00 0.00 175.17 173.89 3hks s ILE 136 N 3.62 4.93 -0.11 0.77 -1.09 -1.26 0.14 121.20 128.20 3hks s ILE 136 Ca 0.30 -0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.75 3hks s ILE 136 Cb -0.12 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 3hks s ILE 136 CO 0.21 0.61 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.61 3hks s VAL 137 N -0.92 2.08 -0.07 2.92 1.01 0.77 -0.79 120.40 125.40 3hks s VAL 137 Ca 0.14 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3hks s VAL 137 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3hks s VAL 137 CO 0.03 0.56 -0.10 0.68 0.00 0.00 0.00 175.10 176.26 3hks s VAL 138 N 0.49 3.40 -0.17 2.92 -7.23 -0.17 -0.50 120.40 119.13 3hks s VAL 138 Ca -0.15 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.27 3hks s VAL 138 Cb -0.17 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3hks s VAL 138 CO 0.06 0.59 0.40 -0.44 -0.31 0.00 0.00 175.10 175.39 3hks s SER 139 N -0.63 6.50 -0.21 4.85 0.01 -0.26 -1.07 113.70 122.89 3hks s SER 139 Ca 0.09 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 3hks s SER 139 Cb -0.11 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 3hks s SER 139 CO 0.01 -0.01 -0.03 -0.69 0.41 0.00 0.00 173.24 172.92 3hks s VAL 140 N 0.93 3.54 -0.15 3.43 1.01 0.14 -1.06 120.40 128.23 3hks s VAL 140 Ca 0.20 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3hks s VAL 140 Cb -0.14 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3hks s VAL 140 CO 0.07 0.43 0.21 -0.32 0.00 0.00 0.00 175.10 175.49 3hks s MET 141 N 1.25 4.02 -0.01 2.72 0.00 0.15 -0.84 119.30 126.59 3hks s MET 141 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 55.69 55.67 3hks s MET 141 Cb -0.14 -3.35 0.01 0.00 0.00 0.00 0.00 34.83 31.34 3hks s MET 141 CO -0.01 0.42 0.01 -1.54 0.00 0.00 0.00 175.02 173.90 3hks s SER 142 N -0.03 0.06 -0.18 1.11 1.04 0.04 -0.33 113.70 115.40 3hks s SER 142 Ca 0.13 0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.32 3hks s SER 142 Cb -0.12 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.03 3hks s SER 142 CO 0.02 -0.05 0.66 -0.55 0.98 0.00 0.00 173.24 174.30 3hks s SER 143 N 0.43 -0.66 -1.54 7.02 0.15 -0.46 -1.21 113.70 117.43 3hks s SER 143 Ca -0.04 1.09 -0.13 0.00 0.70 0.00 0.00 55.95 57.57 3hks s SER 143 Cb -0.05 1.06 0.09 0.00 -1.71 0.00 0.00 66.02 65.40 3hks s SER 143 CO -0.01 -0.36 0.92 0.23 1.20 0.00 0.00 173.24 175.21 3hks n MET 144 N 2.07 -5.05 -1.00 5.44 2.81 -1.26 -1.18 117.12 118.95 3hks n MET 144 Ca -0.16 0.56 -0.00 0.00 -1.81 0.00 0.00 57.70 56.29 3hks n MET 144 Cb 0.56 -5.38 -0.00 0.00 -0.71 0.00 0.00 33.22 27.69 3hks n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hks n GLY 145 N -1.65 0.48 3.25 3.03 0.00 -1.26 -5.03 105.19 104.01 3hks n GLY 145 Ca 0.01 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3hks n GLY 145 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hks s GLU 146 N -0.33 1.58 0.01 1.61 2.12 -0.32 -5.14 118.70 118.23 3hks s GLU 146 Ca 0.00 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.48 3hks s GLU 146 Cb 0.00 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 3hks s GLU 146 CO 0.00 0.43 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.82 3hks s GLU 147 N -0.89 0.93 -0.08 4.30 2.02 -1.26 -1.35 118.70 122.36 3hks s GLU 147 Ca 0.08 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.52 3hks s GLU 147 Cb -0.09 -0.90 0.04 0.00 0.10 0.00 0.00 34.13 33.28 3hks s GLU 147 CO 0.01 0.24 0.19 -1.14 0.02 0.00 0.00 175.26 174.57 3hks s GLN 148 N -0.54 0.13 -0.01 1.61 0.74 0.55 -4.98 119.66 117.15 3hks s GLN 148 Ca 0.03 0.46 -0.30 0.00 0.05 0.00 0.00 55.36 55.60 3hks s GLN 148 Cb -0.06 -0.16 -0.06 0.00 1.10 0.00 0.00 33.01 33.84 3hks s GLN 148 CO 0.00 -0.18 1.47 0.42 -0.55 0.00 0.00 175.29 176.44 3hks s ILE 149 N 1.37 3.64 0.00 -2.34 1.01 -1.26 -0.68 121.20 122.93 3hks s ILE 149 Ca -0.08 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3hks s ILE 149 Cb -0.11 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3hks s ILE 149 CO -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.85 3hks s ALA 151 N -0.79 -1.08 -0.05 0.00 0.00 -1.22 -4.98 121.76 113.64 3hks s ALA 151 Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 3hks s ALA 151 Cb 0.00 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.56 3hks s ALA 151 CO 0.00 -0.50 0.08 0.08 0.00 0.00 0.00 175.76 175.42 3hks s VAL 152 N -2.65 -0.13 0.12 0.00 1.01 -1.26 -1.10 120.40 116.39 3hks s VAL 152 Ca -0.04 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.36 3hks s VAL 152 Cb -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3hks s VAL 152 CO -0.04 0.16 -0.09 -1.59 0.00 0.00 0.00 175.10 173.55 3hks s LYS 153 N 2.06 0.92 -0.16 2.72 -2.85 0.34 -5.00 119.74 117.78 3hks s LYS 153 Ca 0.03 -1.35 -0.07 0.00 -1.00 0.00 0.00 55.97 53.59 3hks s LYS 153 Cb -0.12 -0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.18 3hks s LYS 153 CO -0.04 0.04 0.07 -2.00 0.10 0.00 0.00 175.35 173.52 3hks s GLU 154 N -3.61 3.73 -0.07 1.78 2.12 -1.26 -0.16 118.70 121.23 3hks s GLU 154 Ca 0.13 -0.31 -0.33 0.00 0.36 0.00 0.00 54.97 54.82 3hks s GLU 154 Cb 0.03 -3.15 -0.11 0.00 0.26 0.00 0.00 34.13 31.15 3hks s GLU 154 CO -0.02 0.44 1.91 0.28 -0.54 0.00 0.00 175.26 177.34 3hks n VAL 155 N 3.01 0.63 -2.70 3.70 0.31 0.12 -4.08 118.33 119.33 3hks n VAL 155 Ca -0.17 -0.12 -0.05 0.00 -0.01 0.00 0.00 64.34 63.98 3hks n VAL 155 Cb 0.53 -1.99 0.06 0.00 -0.91 0.00 0.00 33.84 31.53 3hks n VAL 155 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hks n GLY 156 N 4.48 -1.19 0.23 2.92 0.00 -1.26 -4.82 105.19 105.55 3hks n GLY 156 Ca 0.22 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3hks n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93