#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6o s THR 20 N 0.00 0.11 0.08 0.58 -4.23 -1.26 -1.34 115.64 109.58 1x6o s THR 20 Ca 0.00 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1x6o s THR 20 Cb 0.00 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 1x6o s THR 20 CO 0.00 -0.50 -0.11 -0.72 -0.54 0.00 0.00 174.62 172.75 1x6o s TYR 21 N -4.02 1.03 0.51 3.99 1.13 0.02 -4.88 117.35 115.12 1x6o s TYR 21 Ca 0.21 -0.59 -0.18 0.00 -1.41 0.00 0.00 57.07 55.10 1x6o s TYR 21 Cb 0.07 -0.57 -0.08 0.00 -1.10 0.00 0.00 41.96 40.28 1x6o s TYR 21 CO 0.00 -0.00 1.00 -1.25 -2.51 0.00 0.00 175.55 172.79 1x6o s PRO 22 N -2.40 3.86 -0.15 -3.49 0.04 -1.26 -0.20 135.00 131.40 1x6o s PRO 22 Ca 0.02 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1x6o s PRO 22 Cb -0.05 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1x6o s PRO 22 CO 0.00 -0.35 0.37 -1.17 0.04 0.00 0.00 177.00 175.90 1x6o s LEU 23 N -3.86 0.27 0.31 -3.56 2.96 -0.73 -4.89 118.68 109.18 1x6o s LEU 23 Ca 0.62 0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 1x6o s LEU 23 Cb -0.12 1.25 -0.12 0.00 0.50 0.00 0.00 46.19 47.70 1x6o s LEU 23 CO 0.26 -0.16 1.53 0.00 -1.32 0.00 0.00 176.35 176.67 1x6o n ALA 24 N 3.62 2.27 0.16 5.97 0.00 -1.26 -0.63 120.51 130.63 1x6o n ALA 24 Ca -0.19 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.68 1x6o n ALA 24 Cb 0.56 -2.42 0.51 0.00 0.00 0.00 0.00 19.45 18.10 1x6o n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6o h ALA 25 N 4.22 1.78 0.00 0.00 0.00 -0.54 -0.23 119.26 124.48 1x6o h ALA 25 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1x6o h ALA 25 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x6o h ALA 25 CO 0.75 0.18 0.00 0.78 0.00 0.00 0.00 179.25 180.95 1x6o h GLY 26 N 0.38 0.00 0.59 0.00 0.00 -1.34 -2.23 103.07 100.47 1x6o h GLY 26 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1x6o h GLY 26 CO 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.79 1x6o n ALA 27 N -1.83 3.95 -1.77 3.60 0.00 -0.10 -4.95 120.51 119.41 1x6o n ALA 27 Ca -0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 53.44 52.59 1x6o n ALA 27 Cb 0.12 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.60 1x6o n ALA 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6o s LEU 28 N -3.13 4.21 0.16 0.00 1.43 -0.84 -5.02 118.68 115.48 1x6o s LEU 28 Ca 0.09 2.90 0.08 0.00 -1.03 0.00 0.00 54.13 56.17 1x6o s LEU 28 Cb 0.17 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1x6o s LEU 28 CO 0.77 -1.00 -0.18 -0.54 0.23 0.00 0.00 176.35 175.63 1x6o s LYS 29 N -2.28 1.24 0.28 1.70 -0.14 -1.26 -5.08 119.74 114.20 1x6o s LYS 29 Ca 0.57 -1.38 -0.30 0.00 -1.36 0.00 0.00 55.97 53.50 1x6o s LYS 29 Cb -0.43 -1.28 -0.12 0.00 -1.68 0.00 0.00 37.83 34.31 1x6o s LYS 29 CO 0.57 0.26 1.48 1.17 -0.76 0.00 0.00 175.35 178.07 1x6o n LYS 30 N 0.35 2.35 0.00 1.68 4.81 -1.26 -1.11 118.16 124.98 1x6o n LYS 30 Ca -0.14 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1x6o n LYS 30 Cb 0.57 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1x6o n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x6o n GLY 31 N 1.95 2.04 3.83 3.14 0.00 0.19 -5.00 105.19 111.35 1x6o n GLY 31 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1x6o n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x6o s GLY 32 N -2.14 1.93 0.47 -0.02 0.00 -0.27 -4.61 107.32 102.67 1x6o s GLY 32 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.69 1x6o s GLY 32 CO 0.00 0.45 0.97 -0.19 0.00 0.00 0.00 173.10 174.33 1x6o s TYR 33 N -2.77 3.35 0.02 1.90 2.02 -1.26 -0.43 117.35 120.18 1x6o s TYR 33 Ca 0.59 1.55 -0.27 0.00 -0.37 0.00 0.00 57.07 58.57 1x6o s TYR 33 Cb -0.12 -2.84 0.07 0.00 -0.40 0.00 0.00 41.96 38.66 1x6o s TYR 33 CO 0.42 -0.25 0.63 0.54 -1.57 0.00 0.00 175.55 175.32 1x6o s VAL 34 N -2.34 0.00 -0.14 0.71 0.11 -0.29 -4.75 120.40 113.70 1x6o s VAL 34 Ca 0.61 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.55 1x6o s VAL 34 Cb -0.10 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1x6o s VAL 34 CO 0.20 -0.02 0.13 0.00 -3.33 0.00 0.00 175.10 172.08 1x6o s ILE 36 N -0.66 1.08 -1.32 0.00 1.01 -0.70 -4.62 121.20 115.99 1x6o s ILE 36 Ca 0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1x6o s ILE 36 Cb -0.12 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.38 1x6o s ILE 36 CO 0.02 0.35 0.38 0.59 0.00 0.00 0.00 174.94 176.28 1x6o n ASN 37 N 4.05 -4.48 0.00 3.58 3.02 -1.26 -1.01 115.26 119.15 1x6o n ASN 37 Ca -0.21 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1x6o n ASN 37 Cb 0.51 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 1x6o n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x6o n GLY 38 N -1.17 0.87 3.81 7.41 0.00 -1.26 -5.02 105.19 109.83 1x6o n GLY 38 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1x6o n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x6o s ARG 39 N -0.13 3.26 -0.15 1.61 1.81 -0.18 -5.00 118.95 120.17 1x6o s ARG 39 Ca 0.00 -0.24 -0.24 0.00 -1.72 0.00 0.00 55.73 53.52 1x6o s ARG 39 Cb 0.00 -3.04 -0.02 0.00 -0.45 0.00 0.00 34.95 31.44 1x6o s ARG 39 CO 0.00 0.75 0.78 -1.25 -0.68 0.00 0.00 175.30 174.90 1x6o s PRO 40 N -1.01 4.32 0.18 3.54 0.04 -1.26 -1.71 135.00 139.09 1x6o s PRO 40 Ca 0.15 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.17 1x6o s PRO 40 Cb -0.12 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1x6o s PRO 40 CO 0.04 -0.24 -0.05 0.00 0.04 0.00 0.00 177.00 176.78 1x6o s LYS 42 N -3.81 3.46 0.09 0.00 2.20 0.06 -1.14 119.74 120.60 1x6o s LYS 42 Ca 0.21 -0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 54.88 1x6o s LYS 42 Cb 0.04 -2.74 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 1x6o s LYS 42 CO 0.03 0.18 1.69 0.08 -0.36 0.00 0.00 175.35 176.97 1x6o s VAL 43 N 0.47 2.89 -0.06 4.02 1.01 0.43 -0.97 120.40 128.18 1x6o s VAL 43 Ca -0.07 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.39 1x6o s VAL 43 Cb -0.15 -3.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.83 1x6o s VAL 43 CO 0.04 0.00 0.24 2.30 0.00 0.00 0.00 175.10 177.69 1x6o n ILE 44 N 4.67 0.00 -3.79 2.22 -5.35 0.33 -0.63 119.36 116.80 1x6o n ILE 44 Ca 0.16 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1x6o n ILE 44 Cb 0.40 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.53 1x6o n ILE 44 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1x6o s ASP 45 N -3.06 -0.21 0.04 7.28 1.01 -0.83 -4.94 116.67 115.96 1x6o s ASP 45 Ca -0.03 0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.55 1x6o s ASP 45 Cb 0.07 0.43 -0.02 0.00 1.01 0.00 0.00 42.92 44.41 1x6o s ASP 45 CO 0.42 -0.24 -0.09 -0.76 0.21 0.00 0.00 175.17 174.71 1x6o s LEU 46 N -0.53 2.21 -0.00 1.23 1.43 -1.26 -1.27 118.68 120.49 1x6o s LEU 46 Ca -0.06 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 1x6o s LEU 46 Cb -0.04 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.92 1x6o s LEU 46 CO 0.02 -0.12 0.16 -0.55 0.23 0.00 0.00 176.35 176.08 1x6o s SER 47 N -1.32 -0.01 -0.00 2.29 0.15 -0.27 -5.00 113.70 109.53 1x6o s SER 47 Ca -0.06 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1x6o s SER 47 Cb -0.09 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1x6o s SER 47 CO 0.01 -0.35 -0.16 -0.69 1.20 0.00 0.00 173.24 173.24 1x6o s VAL 48 N -1.26 1.28 0.80 4.45 1.01 -1.26 -0.78 120.40 124.64 1x6o s VAL 48 Ca -0.13 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1x6o s VAL 48 Cb -0.07 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.31 1x6o s VAL 48 CO 0.02 0.31 1.09 -0.94 0.00 0.00 0.00 175.10 175.57 1x6o s SER 49 N -0.52 4.33 0.43 3.32 1.04 -0.05 -4.96 113.70 117.29 1x6o s SER 49 Ca 0.06 1.58 -0.25 0.00 0.48 0.00 0.00 55.95 57.82 1x6o s SER 49 Cb -0.07 -2.31 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 1x6o s SER 49 CO -0.00 -2.11 1.28 2.29 0.98 0.00 0.00 173.24 175.68 1x6o n LYS 50 N -3.55 1.91 -1.54 4.02 0.00 -1.26 -4.56 118.16 113.18 1x6o n LYS 50 Ca 0.08 0.68 -0.31 0.00 -0.00 0.00 0.00 58.31 58.76 1x6o n LYS 50 Cb 0.54 -2.41 0.06 0.00 -0.00 0.00 0.00 35.03 33.23 1x6o n LYS 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1x6o s THR 51 N -1.21 3.76 0.00 0.58 2.01 -1.26 -4.71 115.64 114.81 1x6o s THR 51 Ca 0.62 0.57 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1x6o s THR 51 Cb -0.50 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1x6o s THR 51 CO 0.57 -0.75 0.00 1.41 -0.69 0.00 0.00 174.62 175.16 1x6o n HIS 56 N -3.23 -0.12 -4.13 4.92 -0.00 -1.26 -5.16 115.22 106.24 1x6o n HIS 56 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.70 1x6o n HIS 56 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 1x6o n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x6o s ALA 57 N -2.87 0.76 -0.14 -1.41 0.00 -1.26 -5.03 121.76 111.81 1x6o s ALA 57 Ca 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 1x6o s ALA 57 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1x6o s ALA 57 CO 0.00 -0.47 -0.02 0.21 0.00 0.00 0.00 175.76 175.48 1x6o s LYS 58 N -4.02 3.51 -0.21 0.00 2.20 -1.26 -0.80 119.74 119.16 1x6o s LYS 58 Ca 0.20 -0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 55.25 1x6o s LYS 58 Cb 0.07 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 1x6o s LYS 58 CO -0.01 0.36 0.09 0.08 -0.36 0.00 0.00 175.35 175.52 1x6o s VAL 59 N 0.05 4.85 -0.15 4.02 1.01 0.63 -0.87 120.40 129.94 1x6o s VAL 59 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1x6o s VAL 59 Cb -0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1x6o s VAL 59 CO 0.02 0.40 -0.08 -0.44 0.00 0.00 0.00 175.10 175.00 1x6o s SER 60 N 0.86 4.41 -0.02 3.32 0.01 0.04 -0.88 113.70 121.44 1x6o s SER 60 Ca 0.05 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.15 1x6o s SER 60 Cb -0.13 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 1x6o s SER 60 CO 0.03 0.15 -0.25 -0.63 0.41 0.00 0.00 173.24 172.94 1x6o s ILE 61 N 0.47 1.97 -0.06 1.44 1.01 0.55 -1.12 121.20 125.46 1x6o s ILE 61 Ca -0.06 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1x6o s ILE 61 Cb -0.15 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 1x6o s ILE 61 CO 0.04 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.65 1x6o s VAL 62 N -0.59 1.61 0.05 2.92 1.01 -0.39 -1.84 120.40 123.16 1x6o s VAL 62 Ca 0.10 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1x6o s VAL 62 Cb -0.10 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1x6o s VAL 62 CO -0.01 0.46 0.17 0.00 0.00 0.00 0.00 175.10 175.72 1x6o s ALA 63 N 0.16 -0.25 -0.18 5.51 0.00 0.29 -0.52 121.76 126.78 1x6o s ALA 63 Ca -0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1x6o s ALA 63 Cb -0.14 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1x6o s ALA 63 CO 0.04 -0.38 -0.08 0.99 0.00 0.00 0.00 175.76 176.34 1x6o s THR 64 N -2.82 3.28 0.06 0.00 2.01 -0.14 -0.51 115.64 117.52 1x6o s THR 64 Ca -0.03 -0.55 -0.32 0.00 0.31 0.00 0.00 61.69 61.10 1x6o s THR 64 Cb 0.00 -2.44 -0.11 0.00 0.01 0.00 0.00 72.50 69.96 1x6o s THR 64 CO -0.05 0.47 1.86 -0.67 -0.69 0.00 0.00 174.62 175.54 1x6o n ASP 65 N 4.17 3.87 0.17 3.53 -0.08 0.10 -0.76 116.55 127.55 1x6o n ASP 65 Ca -0.18 0.97 0.13 0.00 -1.51 0.00 0.00 54.79 54.20 1x6o n ASP 65 Cb 0.52 -1.49 0.55 0.00 2.34 0.00 0.00 41.12 43.03 1x6o n ASP 65 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1x6o h ILE 66 N 4.99 0.00 0.00 5.18 3.07 -1.50 -0.75 117.51 128.50 1x6o h ILE 66 Ca -0.48 -0.29 -0.26 0.00 1.55 0.00 0.00 64.86 65.38 1x6o h ILE 66 Cb 1.24 1.08 -0.05 0.00 -0.27 0.00 0.00 36.82 38.82 1x6o h ILE 66 CO 0.94 0.00 -1.98 0.49 -1.05 0.00 0.00 178.15 176.55 1x6o n PHE 67 N -2.45 0.00 0.22 0.16 3.72 -1.26 -4.71 117.46 113.13 1x6o n PHE 67 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 1x6o n PHE 67 Cb 0.24 -0.68 -0.13 0.00 -0.94 0.00 0.00 39.48 37.97 1x6o n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1x6o n THR 68 N -2.78 0.00 -0.98 4.37 -2.24 -1.23 -4.94 114.28 106.48 1x6o n THR 68 Ca -0.27 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1x6o n THR 68 Cb 0.89 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1x6o n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x6o n GLY 69 N 1.45 0.78 3.77 3.38 0.00 -0.29 -5.01 105.19 109.28 1x6o n GLY 69 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1x6o n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x6o s ASN 70 N -2.63 5.72 -0.19 1.61 0.01 -1.26 -4.63 114.94 113.57 1x6o s ASN 70 Ca 0.00 2.17 -0.18 0.00 -0.71 0.00 0.00 52.86 54.14 1x6o s ASN 70 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1x6o s ASN 70 CO 0.00 -1.22 0.49 -0.60 -1.51 0.00 0.00 177.10 174.26 1x6o s ARG 71 N -3.31 4.20 0.11 -0.60 3.52 -1.26 -0.73 118.95 120.89 1x6o s ARG 71 Ca 0.72 0.38 0.09 0.00 -0.13 0.00 0.00 55.73 56.79 1x6o s ARG 71 Cb -0.24 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1x6o s ARG 71 CO 0.27 -0.10 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.94 1x6o s LEU 72 N 1.47 2.32 0.10 -0.88 1.43 0.33 -4.98 118.68 118.45 1x6o s LEU 72 Ca 0.23 -0.72 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1x6o s LEU 72 Cb -0.15 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1x6o s LEU 72 CO 0.09 0.07 -0.15 -1.61 0.23 0.00 0.00 176.35 174.99 1x6o s GLU 73 N -2.02 0.94 0.15 1.70 2.02 -1.26 -0.55 118.70 119.67 1x6o s GLU 73 Ca 0.09 -1.10 -0.19 0.00 0.02 0.00 0.00 54.97 53.79 1x6o s GLU 73 Cb -0.10 -0.90 0.05 0.00 0.10 0.00 0.00 34.13 33.28 1x6o s GLU 73 CO 0.05 0.19 0.49 0.34 0.02 0.00 0.00 175.26 176.35 1x6o s ASP 74 N -2.08 -0.36 0.01 -0.19 2.15 -0.77 -5.01 116.67 110.43 1x6o s ASP 74 Ca 0.04 -0.22 -0.02 0.00 0.43 0.00 0.00 52.55 52.77 1x6o s ASP 74 Cb -0.08 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 43.07 1x6o s ASP 74 CO 0.03 -0.92 0.02 -1.10 -0.17 0.00 0.00 175.17 173.02 1x6o s GLN 75 N -3.79 0.35 0.07 4.34 1.11 -1.26 -0.33 119.66 120.14 1x6o s GLN 75 Ca 0.03 -0.52 -0.23 0.00 0.01 0.00 0.00 55.36 54.65 1x6o s GLN 75 Cb 0.00 0.13 0.06 0.00 -1.01 0.00 0.00 33.01 32.19 1x6o s GLN 75 CO -0.11 -0.07 0.54 0.00 0.01 0.00 0.00 175.29 175.67 1x6o s ALA 76 N -1.38 -1.40 0.55 6.09 0.00 -0.06 -4.98 121.76 120.58 1x6o s ALA 76 Ca -0.15 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.17 1x6o s ALA 76 Cb -0.09 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1x6o s ALA 76 CO -0.00 -0.58 1.33 -2.30 0.00 0.00 0.00 175.76 174.22 1x6o n PRO 77 N 0.18 1.63 0.31 0.00 -0.02 -1.26 -0.27 135.00 135.57 1x6o n PRO 77 Ca -0.18 0.60 0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1x6o n PRO 77 Cb 0.62 -2.55 1.06 0.00 -0.02 0.00 0.00 33.50 32.61 1x6o n PRO 77 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1x6o h SER 78 N 1.35 0.00 0.24 2.55 4.64 -1.32 -0.74 113.55 120.27 1x6o h SER 78 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1x6o h SER 78 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1x6o h SER 78 CO 0.57 0.00 -0.31 0.35 -0.87 0.00 0.00 176.83 176.56 1x6o n THR 79 N -3.42 0.00 -2.47 2.95 -2.24 -1.26 -1.03 114.28 106.79 1x6o n THR 79 Ca -0.03 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1x6o n THR 79 Cb 0.10 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1x6o n THR 79 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1x6o s HIS 80 N -2.56 3.53 -0.30 4.78 5.04 -0.28 -4.80 115.29 120.69 1x6o s HIS 80 Ca 0.22 1.69 -0.22 0.00 -1.54 0.00 0.00 55.06 55.21 1x6o s HIS 80 Cb 0.19 -3.27 -0.00 0.00 0.04 0.00 0.00 32.58 29.53 1x6o s HIS 80 CO 0.55 -0.59 0.72 -0.80 -2.34 0.00 0.00 174.74 172.29 1x6o s ASN 81 N -0.97 6.60 0.65 9.88 0.01 -1.26 -0.41 114.94 129.45 1x6o s ASN 81 Ca 0.46 0.59 -0.11 0.00 -0.71 0.00 0.00 52.86 53.09 1x6o s ASN 81 Cb -0.31 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 1x6o s ASN 81 CO 0.39 -0.55 1.05 0.68 -1.51 0.00 0.00 177.10 177.17 1x6o s VAL 82 N 2.81 4.28 -0.11 1.60 -7.23 0.20 -4.80 120.40 117.13 1x6o s VAL 82 Ca 0.30 0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 61.10 1x6o s VAL 82 Cb -0.14 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 33.05 1x6o s VAL 82 CO 0.12 -0.97 0.23 -1.61 -0.31 0.00 0.00 175.10 172.56 1x6o s GLU 83 N -5.22 3.80 -0.14 4.82 2.02 -1.26 -1.77 118.70 120.95 1x6o s GLU 83 Ca 0.56 0.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.56 1x6o s GLU 83 Cb -0.11 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1x6o s GLU 83 CO 0.53 0.60 -0.10 0.08 0.02 0.00 0.00 175.26 176.39 1x6o s VAL 84 N -0.58 3.34 0.35 2.63 1.01 0.72 -0.39 120.40 127.49 1x6o s VAL 84 Ca 0.16 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1x6o s VAL 84 Cb -0.13 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 1x6o s VAL 84 CO 0.05 0.52 1.08 -2.16 0.00 0.00 0.00 175.10 174.59 1x6o s PRO 85 N 0.32 4.33 0.14 2.72 0.04 -1.26 -0.80 135.00 140.50 1x6o s PRO 85 Ca -0.08 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 1x6o s PRO 85 Cb -0.15 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 1x6o s PRO 85 CO 0.05 -0.02 1.48 -0.06 0.04 0.00 0.00 177.00 178.48 1x6o s PHE 86 N -1.44 3.15 -0.12 0.56 0.08 -0.45 -4.90 117.98 114.86 1x6o s PHE 86 Ca 0.53 0.78 0.03 0.00 0.12 0.00 0.00 56.93 58.39 1x6o s PHE 86 Cb -0.27 -3.81 0.01 0.00 -0.57 0.00 0.00 43.02 38.38 1x6o s PHE 86 CO 0.34 -2.92 -0.21 0.08 -0.10 0.00 0.00 175.22 172.41 1x6o s VAL 87 N 1.13 1.89 0.10 -0.44 1.01 -1.26 -4.47 120.40 118.35 1x6o s VAL 87 Ca 0.67 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1x6o s VAL 87 Cb -0.40 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1x6o s VAL 87 CO 0.31 0.52 -0.19 -0.54 0.00 0.00 0.00 175.10 175.19 1x6o s LYS 88 N 0.70 1.80 0.01 2.72 -0.14 -0.40 -4.98 119.74 119.45 1x6o s LYS 88 Ca -0.11 -1.16 0.04 0.00 -1.36 0.00 0.00 55.97 53.38 1x6o s LYS 88 Cb -0.16 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1x6o s LYS 88 CO 0.02 0.49 -0.12 0.99 -0.76 0.00 0.00 175.35 175.97 1x6o s THR 89 N -1.07 0.90 -0.02 2.17 2.01 -1.26 -1.03 115.64 117.33 1x6o s THR 89 Ca 0.16 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1x6o s THR 89 Cb -0.10 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1x6o s THR 89 CO 0.08 0.09 0.12 -0.47 -0.69 0.00 0.00 174.62 173.75 1x6o s TYR 90 N -0.57 -0.03 -0.12 4.92 6.14 -0.15 -4.99 117.35 122.54 1x6o s TYR 90 Ca 0.02 0.06 0.00 0.00 0.64 0.00 0.00 57.07 57.79 1x6o s TYR 90 Cb -0.06 -0.02 -0.01 0.00 0.42 0.00 0.00 41.96 42.29 1x6o s TYR 90 CO 0.00 -0.18 -0.14 0.99 0.64 0.00 0.00 175.55 176.87 1x6o s THR 91 N -0.71 2.98 0.22 4.34 2.01 -1.26 -0.35 115.64 122.87 1x6o s THR 91 Ca -0.08 -0.69 0.10 0.00 0.31 0.00 0.00 61.69 61.33 1x6o s THR 91 Cb -0.05 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1x6o s THR 91 CO 0.01 0.53 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.96 1x6o s TYR 92 N 0.29 2.10 0.15 4.92 1.51 -0.33 -4.64 117.35 121.35 1x6o s TYR 92 Ca -0.10 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 1x6o s TYR 92 Cb -0.16 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1x6o s TYR 92 CO 0.06 0.51 0.27 -1.54 -1.11 0.00 0.00 175.55 173.73 1x6o s SER 93 N -3.02 6.26 -0.28 2.29 1.04 -0.53 -0.51 113.70 118.95 1x6o s SER 93 Ca 0.23 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.62 1x6o s SER 93 Cb -0.05 -1.87 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 1x6o s SER 93 CO 0.10 0.06 0.54 -0.69 0.98 0.00 0.00 173.24 174.23 1x6o s VAL 94 N -1.73 5.04 -0.08 5.02 1.01 0.71 -0.55 120.40 129.81 1x6o s VAL 94 Ca 0.34 0.84 0.15 0.00 0.00 0.00 0.00 61.98 63.31 1x6o s VAL 94 Cb -0.11 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.24 1x6o s VAL 94 CO 0.28 0.01 0.88 -0.07 0.00 0.00 0.00 175.10 176.20 1x6o h LEU 95 N 8.89 0.00 -7.00 3.92 3.38 -1.00 -3.43 115.31 120.07 1x6o h LEU 95 Ca -0.28 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.84 1x6o h LEU 95 Cb 1.13 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.69 1x6o h LEU 95 CO 0.74 0.72 0.65 -0.62 0.09 0.00 0.00 178.44 180.02 1x6o s ASP 96 N -6.01 -0.27 -0.09 -0.43 -1.08 -1.18 -4.97 116.67 102.64 1x6o s ASP 96 Ca -0.02 0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.14 1x6o s ASP 96 Cb 0.08 0.25 0.02 0.00 -1.46 0.00 0.00 42.92 41.82 1x6o s ASP 96 CO 0.81 -0.36 -0.10 -0.63 0.52 0.00 0.00 175.17 175.41 1x6o s ILE 97 N -2.09 1.06 -0.07 4.11 1.01 -1.26 -1.57 121.20 122.39 1x6o s ILE 97 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1x6o s ILE 97 Cb -0.01 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1x6o s ILE 97 CO -0.04 0.36 -0.10 -1.10 0.00 0.00 0.00 174.94 174.05 1x6o s GLN 98 N 1.16 1.55 0.57 2.79 -0.21 -0.45 -4.97 119.66 120.10 1x6o s GLN 98 Ca -0.05 -0.34 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 1x6o s GLN 98 Cb -0.14 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 1x6o s GLN 98 CO -0.02 -0.05 1.34 0.00 -2.12 0.00 0.00 175.29 174.44 1x6o s ALA 99 N 0.91 2.73 0.45 6.09 0.00 -1.26 -0.13 121.76 130.54 1x6o s ALA 99 Ca -0.10 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.90 1x6o s ALA 99 Cb -0.15 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1x6o s ALA 99 CO 0.01 -1.40 1.36 1.21 0.00 0.00 0.00 175.76 176.94 1x6o s ASN 100 N -1.07 5.95 0.59 0.00 3.84 -1.26 -4.72 114.94 118.27 1x6o s ASN 100 Ca 0.74 2.77 0.29 0.00 0.21 0.00 0.00 52.86 56.88 1x6o s ASN 100 Cb -0.39 -2.64 1.37 0.00 -0.55 0.00 0.00 41.25 39.03 1x6o s ASN 100 CO 0.45 -1.11 1.75 -0.33 -2.79 0.00 0.00 177.10 175.08 1x6o h GLU 101 N 2.30 0.00 -4.17 0.43 4.39 -1.95 -2.98 114.58 112.59 1x6o h GLU 101 Ca -0.50 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.45 1x6o h GLU 101 Cb 1.26 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.64 1x6o h GLU 101 CO 0.61 0.00 -0.30 0.34 -1.16 0.00 0.00 179.01 178.50 1x6o s ASP 102 N -4.79 5.95 0.48 1.42 -1.08 -1.26 -4.98 116.67 112.41 1x6o s ASP 102 Ca -0.04 -1.90 0.25 0.00 -0.52 0.00 0.00 52.55 50.34 1x6o s ASP 102 Cb 0.16 -2.11 1.36 0.00 -1.46 0.00 0.00 42.92 40.87 1x6o s ASP 102 CO 0.56 -0.76 1.73 1.55 0.52 0.00 0.00 175.17 178.77 1x6o h PRO 103 N 8.60 0.00 -0.00 4.34 0.13 -1.92 -1.35 132.00 141.80 1x6o h PRO 103 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1x6o h PRO 103 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x6o h PRO 103 CO 0.94 0.00 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.49 1x6o n SER 104 N -2.50 0.21 -4.84 1.44 3.41 -1.26 -4.86 113.62 105.21 1x6o n SER 104 Ca -0.02 -0.18 -0.22 0.00 -0.26 0.00 0.00 58.87 58.20 1x6o n SER 104 Cb 0.23 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1x6o n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x6o s LEU 105 N -2.66 3.82 0.45 1.04 1.43 -0.51 -5.08 118.68 117.16 1x6o s LEU 105 Ca 0.24 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 1x6o s LEU 105 Cb 0.20 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 1x6o s LEU 105 CO 0.50 -0.11 1.17 -2.65 0.23 0.00 0.00 176.35 175.49 1x6o n PRO 106 N -1.24 1.62 -1.59 1.29 -0.02 -1.26 -4.52 135.00 129.28 1x6o n PRO 106 Ca -0.07 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 1x6o n PRO 106 Cb 0.58 -2.27 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1x6o n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x6o s ALA 107 N -1.26 2.34 0.22 3.55 0.00 -1.26 -4.25 121.76 121.10 1x6o s ALA 107 Ca 0.64 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1x6o s ALA 107 Cb -0.51 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.19 1x6o s ALA 107 CO 0.56 -1.50 0.66 -1.01 0.00 0.00 0.00 175.76 174.47 1x6o s HIS 108 N -2.37 3.58 -0.01 0.00 0.09 0.81 -0.84 115.29 116.55 1x6o s HIS 108 Ca 0.67 1.23 0.02 0.00 -0.00 0.00 0.00 55.06 56.99 1x6o s HIS 108 Cb -0.21 -2.51 -0.03 0.00 -0.00 0.00 0.00 32.58 29.82 1x6o s HIS 108 CO 0.45 0.32 -0.04 -0.51 -0.00 0.00 0.00 174.74 174.96 1x6o s LEU 109 N -2.19 3.31 -0.18 0.89 1.43 -0.35 -1.34 118.68 120.25 1x6o s LEU 109 Ca 0.44 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1x6o s LEU 109 Cb -0.15 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1x6o s LEU 109 CO 0.20 0.29 -0.05 -0.55 0.23 0.00 0.00 176.35 176.47 1x6o s SER 110 N -1.39 4.46 -0.02 2.29 0.15 -0.61 -4.44 113.70 114.14 1x6o s SER 110 Ca 0.17 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.58 1x6o s SER 110 Cb -0.11 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1x6o s SER 110 CO 0.08 0.08 -0.13 -0.76 1.20 0.00 0.00 173.24 173.71 1x6o s LEU 111 N 0.87 1.95 -0.18 3.45 1.43 -0.25 -0.29 118.68 125.66 1x6o s LEU 111 Ca -0.01 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1x6o s LEU 111 Cb -0.15 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1x6o s LEU 111 CO 0.01 0.14 0.02 -0.32 0.23 0.00 0.00 176.35 176.43 1x6o s MET 112 N -0.14 3.79 0.59 1.70 -2.45 0.28 -0.42 119.30 122.66 1x6o s MET 112 Ca 0.02 -0.44 -0.06 0.00 -1.25 0.00 0.00 55.69 53.96 1x6o s MET 112 Cb -0.07 -3.10 0.13 0.00 1.25 0.00 0.00 34.83 33.04 1x6o s MET 112 CO 0.00 0.19 0.81 -0.40 1.05 0.00 0.00 175.02 176.67 1x6o n ASP 113 N 3.74 0.53 -0.32 1.11 5.68 -0.16 -1.45 116.55 125.69 1x6o n ASP 113 Ca -0.17 -1.58 0.11 0.00 -0.50 0.00 0.00 54.79 52.65 1x6o n ASP 113 Cb 0.52 -0.57 0.49 0.00 -1.14 0.00 0.00 41.12 40.42 1x6o n ASP 113 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1x6o n ASP 114 N -3.25 0.96 -0.70 -1.12 5.68 -1.26 -2.92 116.55 113.95 1x6o n ASP 114 Ca 0.12 -1.54 0.08 0.00 -0.50 0.00 0.00 54.79 52.94 1x6o n ASP 114 Cb 0.41 -0.05 0.21 0.00 -1.14 0.00 0.00 41.12 40.54 1x6o n ASP 114 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x6o n GLU 115 N -0.16 2.74 -0.94 0.11 1.02 -1.26 -4.98 120.64 117.17 1x6o n GLU 115 Ca 0.16 -2.55 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 1x6o n GLU 115 Cb 0.23 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1x6o n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x6o n GLY 116 N -0.36 0.50 3.65 0.62 0.00 -1.15 -5.03 105.19 103.42 1x6o n GLY 116 Ca 0.17 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1x6o n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6o s GLU 117 N -0.50 3.25 0.25 1.61 0.41 -1.26 -4.92 118.70 117.53 1x6o s GLU 117 Ca 0.00 -0.41 0.07 0.00 -0.41 0.00 0.00 54.97 54.23 1x6o s GLU 117 Cb 0.00 -2.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.43 1x6o s GLU 117 CO 0.00 0.57 0.20 -1.54 -0.49 0.00 0.00 175.26 174.00 1x6o s SER 118 N -0.52 5.52 0.01 -0.19 1.04 -1.26 -0.98 113.70 117.31 1x6o s SER 118 Ca 0.09 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.31 1x6o s SER 118 Cb -0.12 -1.40 -0.01 0.00 0.10 0.00 0.00 66.02 64.59 1x6o s SER 118 CO 0.02 -0.04 -0.13 0.00 0.98 0.00 0.00 173.24 174.07 1x6o s ARG 119 N -3.84 0.96 -0.02 4.02 1.70 0.44 -4.96 118.95 117.25 1x6o s ARG 119 Ca 0.33 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 55.08 1x6o s ARG 119 Cb -0.08 -0.94 0.03 0.00 -0.57 0.00 0.00 34.95 33.40 1x6o s ARG 119 CO 0.25 0.25 1.01 0.39 -1.08 0.00 0.00 175.30 176.12 1x6o n GLU 120 N 2.49 2.74 0.00 3.89 4.71 -1.26 -1.09 120.64 132.13 1x6o n GLU 120 Ca -0.15 -1.61 0.12 0.00 -0.01 0.00 0.00 57.16 55.51 1x6o n GLU 120 Cb 0.55 -1.05 0.25 0.00 -1.01 0.00 0.00 31.44 30.18 1x6o n GLU 120 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1x6o n ASP 121 N -0.60 0.56 -4.91 1.62 5.75 -1.26 -4.71 116.55 113.00 1x6o n ASP 121 Ca 0.02 -0.33 -0.31 0.00 -0.01 0.00 0.00 54.79 54.16 1x6o n ASP 121 Cb 0.30 0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.62 1x6o n ASP 121 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1x6o s LEU 122 N -2.96 4.29 0.43 -2.12 1.43 -1.26 -5.01 118.68 113.48 1x6o s LEU 122 Ca 0.12 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1x6o s LEU 122 Cb 0.18 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 1x6o s LEU 122 CO 0.69 0.08 0.17 -1.81 0.23 0.00 0.00 176.35 175.71 1x6o s ASP 123 N -2.56 4.37 0.47 2.29 1.01 -1.26 -1.21 116.67 119.78 1x6o s ASP 123 Ca 0.39 -1.16 -0.22 0.00 0.71 0.00 0.00 52.55 52.26 1x6o s ASP 123 Cb -0.12 -0.32 -0.10 0.00 1.01 0.00 0.00 42.92 43.39 1x6o s ASP 123 CO 0.26 -0.61 0.85 0.23 0.21 0.00 0.00 175.17 176.12 1x6o n MET 124 N -1.26 1.01 -1.67 8.23 2.81 -0.02 -4.77 117.12 121.44 1x6o n MET 124 Ca -0.03 0.37 -0.32 0.00 -1.81 0.00 0.00 57.70 55.91 1x6o n MET 124 Cb 0.65 -1.92 0.05 0.00 -0.71 0.00 0.00 33.22 31.29 1x6o n MET 124 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1x6o s PRO 125 N -2.07 2.77 0.00 0.03 0.04 -1.26 -4.81 135.00 129.70 1x6o s PRO 125 Ca 0.66 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1x6o s PRO 125 Cb -0.53 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 31.92 1x6o s PRO 125 CO 0.55 -1.26 2.62 -0.35 0.04 0.00 0.00 177.00 178.61 1x6o n PRO 126 N -2.67 1.39 -3.58 0.56 -0.04 -1.26 -4.60 135.00 124.79 1x6o n PRO 126 Ca 0.10 -0.53 -0.29 0.00 -0.04 0.00 0.00 63.50 62.73 1x6o n PRO 126 Cb 0.52 -1.60 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1x6o n PRO 126 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x6o s ASP 127 N 2.09 3.60 0.24 3.54 -1.08 -1.26 -5.04 116.67 118.75 1x6o s ASP 127 Ca 0.35 -1.50 -0.05 0.00 -0.52 0.00 0.00 52.55 50.83 1x6o s ASP 127 Cb 0.17 -0.49 0.39 0.00 -1.46 0.00 0.00 42.92 41.53 1x6o s ASP 127 CO 0.00 -0.42 1.77 1.55 0.52 0.00 0.00 175.17 178.59 1x6o h PRO 128 N 8.15 0.56 -0.54 4.34 0.13 -1.99 0.17 132.00 142.82 1x6o h PRO 128 Ca -0.15 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1x6o h PRO 128 Cb 1.00 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1x6o h PRO 128 CO 0.43 0.37 -0.07 0.00 -0.23 0.00 0.00 178.00 178.50 1x6o h ALA 129 N 1.47 0.85 -0.30 -0.56 0.00 -1.96 -0.31 119.26 118.45 1x6o h ALA 129 Ca 0.38 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1x6o h ALA 129 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1x6o h ALA 129 CO -0.31 0.66 -0.11 1.25 0.00 0.00 0.00 179.25 180.74 1x6o h LEU 130 N 0.89 0.61 -0.80 0.00 5.85 -1.74 -0.68 115.31 119.43 1x6o h LEU 130 Ca 0.15 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1x6o h LEU 130 Cb 0.62 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1x6o h LEU 130 CO 0.04 0.86 0.53 0.00 -0.34 0.00 0.00 178.44 179.52 1x6o h ALA 131 N 0.77 1.02 -0.53 1.25 0.00 -0.87 -0.86 119.26 120.03 1x6o h ALA 131 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x6o h ALA 131 Cb 0.61 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x6o h ALA 131 CO 0.04 0.44 0.23 1.15 0.00 0.00 0.00 179.25 181.11 1x6o h THR 132 N 1.09 1.21 -0.41 0.00 2.02 -0.91 -1.74 112.91 114.17 1x6o h THR 132 Ca 0.29 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1x6o h THR 132 Cb -0.12 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1x6o h THR 132 CO -0.06 0.24 0.27 -0.61 0.37 0.00 0.00 175.52 175.73 1x6o h GLN 133 N 0.72 0.54 -0.33 6.66 5.75 -0.69 0.14 115.11 127.90 1x6o h GLN 133 Ca 0.18 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1x6o h GLN 133 Cb 0.16 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1x6o h GLN 133 CO -0.02 0.36 0.17 0.82 -2.65 0.00 0.00 178.83 177.51 1x6o h ILE 134 N 0.56 1.14 -0.49 2.39 2.04 -0.99 -1.10 117.51 121.06 1x6o h ILE 134 Ca 0.15 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1x6o h ILE 134 Cb -0.06 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1x6o h ILE 134 CO -0.03 0.15 -0.04 0.50 0.00 0.00 0.00 178.15 178.72 1x6o h LYS 135 N 0.40 0.90 -0.43 2.37 3.64 -1.02 -0.69 116.57 121.74 1x6o h LYS 135 Ca 0.11 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1x6o h LYS 135 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1x6o h LYS 135 CO -0.02 0.95 0.17 0.93 -2.27 0.00 0.00 179.45 179.21 1x6o h GLU 136 N 0.76 0.65 -0.55 1.90 5.08 -0.54 0.29 114.58 122.16 1x6o h GLU 136 Ca 0.13 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1x6o h GLU 136 Cb 0.57 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1x6o h GLU 136 CO 0.03 0.60 0.15 1.96 -1.00 0.00 0.00 179.01 180.75 1x6o h GLN 137 N 0.55 0.86 -0.61 2.33 1.08 -1.07 -1.44 115.11 116.81 1x6o h GLN 137 Ca 0.14 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1x6o h GLN 137 Cb 0.20 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1x6o h GLN 137 CO -0.01 0.80 0.39 0.35 -0.95 0.00 0.00 178.83 179.41 1x6o h PHE 138 N 0.77 0.73 0.00 2.96 3.57 -0.94 -2.34 116.94 121.68 1x6o h PHE 138 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1x6o h PHE 138 Cb 0.31 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1x6o h PHE 138 CO 0.02 0.44 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.90 1x6o h ASP 139 N 0.78 0.00 0.38 0.41 3.32 -0.67 -2.16 116.42 118.48 1x6o h ASP 139 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1x6o h ASP 139 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1x6o h ASP 139 CO -0.08 0.20 0.00 -1.54 -1.72 0.00 0.00 179.24 176.10 1x6o n SER 140 N -3.60 0.00 -0.11 6.45 3.41 -0.57 -4.90 113.62 114.30 1x6o n SER 140 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1x6o n SER 140 Cb 0.33 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1x6o n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6o n GLY 141 N 0.87 0.71 3.90 5.00 0.00 -0.81 -5.07 105.19 109.79 1x6o n GLY 141 Ca 0.14 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1x6o n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6o s LYS 142 N -3.73 3.68 -0.73 1.61 -0.14 -1.05 -5.03 119.74 114.36 1x6o s LYS 142 Ca 0.00 0.12 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 1x6o s LYS 142 Cb 0.00 -2.61 0.03 0.00 -1.68 0.00 0.00 37.83 33.57 1x6o s LYS 142 CO 0.00 0.19 1.26 0.34 -0.76 0.00 0.00 175.35 176.38 1x6o s ASP 143 N -3.03 6.17 -0.15 2.83 2.15 -1.26 -4.66 116.67 118.72 1x6o s ASP 143 Ca 0.46 -0.46 -0.20 0.00 0.43 0.00 0.00 52.55 52.78 1x6o s ASP 143 Cb -0.11 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 1x6o s ASP 143 CO 0.29 -1.80 0.56 -0.69 -0.17 0.00 0.00 175.17 173.36 1x6o s VAL 144 N 5.60 5.10 -0.02 1.11 1.01 -1.26 -0.65 120.40 131.29 1x6o s VAL 144 Ca 0.35 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 1x6o s VAL 144 Cb -0.09 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1x6o s VAL 144 CO 0.15 0.22 0.07 -0.76 0.00 0.00 0.00 175.10 174.78 1x6o s LEU 145 N 1.26 3.84 -0.04 3.92 1.43 0.55 -0.21 118.68 129.44 1x6o s LEU 145 Ca 0.28 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1x6o s LEU 145 Cb -0.16 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1x6o s LEU 145 CO 0.11 0.29 -0.20 0.68 0.23 0.00 0.00 176.35 177.47 1x6o s VAL 146 N -1.14 1.60 -0.30 -1.59 -7.23 0.33 -2.23 120.40 109.83 1x6o s VAL 146 Ca 0.21 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1x6o s VAL 146 Cb -0.12 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 1x6o s VAL 146 CO 0.12 0.45 0.17 -0.69 -0.31 0.00 0.00 175.10 174.84 1x6o s VAL 147 N -0.15 4.89 -0.24 1.32 1.01 -0.03 -1.19 120.40 126.02 1x6o s VAL 147 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1x6o s VAL 147 Cb -0.11 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1x6o s VAL 147 CO 0.02 0.14 0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1x6o s VAL 148 N 1.68 5.18 -0.07 2.92 1.01 0.53 -0.86 120.40 130.78 1x6o s VAL 148 Ca 0.06 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1x6o s VAL 148 Cb -0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1x6o s VAL 148 CO 0.08 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 174.72 1x6o s VAL 149 N 1.17 3.36 -0.09 2.92 1.01 0.02 -0.98 120.40 127.81 1x6o s VAL 149 Ca 0.07 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1x6o s VAL 149 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1x6o s VAL 149 CO 0.05 0.59 -0.21 -0.44 0.00 0.00 0.00 175.10 175.09 1x6o s SER 150 N -0.63 2.71 -0.20 3.32 0.01 -0.20 -1.51 113.70 117.19 1x6o s SER 150 Ca 0.09 -0.48 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 1x6o s SER 150 Cb -0.11 -1.21 0.08 0.00 0.21 0.00 0.00 66.02 64.98 1x6o s SER 150 CO 0.01 0.13 0.75 0.00 0.41 0.00 0.00 173.24 174.54 1x6o s ALA 151 N 0.41 -1.80 -1.29 1.44 0.00 -0.53 -1.28 121.76 118.71 1x6o s ALA 151 Ca -0.17 1.78 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 1x6o s ALA 151 Cb -0.17 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1x6o s ALA 151 CO 0.07 -0.34 0.40 -1.33 0.00 0.00 0.00 175.76 174.57 1x6o n MET 152 N 2.01 -3.43 -0.40 0.00 2.81 -1.26 -1.47 117.12 115.38 1x6o n MET 152 Ca -0.15 0.59 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1x6o n MET 152 Cb 0.56 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.76 1x6o n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x6o n GLY 153 N -1.16 1.15 3.78 3.03 0.00 -1.26 -5.04 105.19 105.69 1x6o n GLY 153 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1x6o n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6o s THR 154 N -3.00 4.75 -0.05 2.61 2.01 -0.54 -5.11 115.64 116.30 1x6o s THR 154 Ca 0.00 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1x6o s THR 154 Cb 0.00 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.37 1x6o s THR 154 CO 0.00 0.38 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.60 1x6o s GLU 155 N -1.66 1.38 -0.11 4.92 2.02 -1.26 -1.46 118.70 122.54 1x6o s GLU 155 Ca 0.22 -0.32 -0.20 0.00 0.02 0.00 0.00 54.97 54.69 1x6o s GLU 155 Cb -0.12 -1.20 0.05 0.00 0.10 0.00 0.00 34.13 32.96 1x6o s GLU 155 CO 0.13 0.01 0.49 -1.14 0.02 0.00 0.00 175.26 174.77 1x6o s GLN 156 N 0.66 0.72 -0.06 1.61 0.74 -0.57 -4.97 119.66 117.79 1x6o s GLN 156 Ca -0.12 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.33 1x6o s GLN 156 Cb -0.15 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1x6o s GLN 156 CO 0.02 -0.16 1.51 0.08 -0.55 0.00 0.00 175.29 176.19 1x6o s VAL 157 N -0.53 3.74 -0.12 1.34 1.01 -1.26 -0.80 120.40 123.77 1x6o s VAL 157 Ca -0.06 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.00 1x6o s VAL 157 Cb -0.03 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.56 1x6o s VAL 157 CO 0.04 -0.06 0.29 0.18 0.00 0.00 0.00 175.10 175.55 1x6o n LEU 158 N 6.50 0.11 -3.81 3.92 4.77 -0.04 -4.71 117.00 123.74 1x6o n LEU 158 Ca 0.15 -0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1x6o n LEU 158 Cb 0.43 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1x6o n LEU 158 CO 0.60 0.03 -0.05 -1.58 -1.33 0.00 0.00 177.39 175.06 1x6o s GLN 159 N -2.62 0.79 0.08 3.23 0.74 -1.19 -5.01 119.66 115.69 1x6o s GLN 159 Ca -0.02 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.70 1x6o s GLN 159 Cb 0.07 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.48 1x6o s GLN 159 CO 0.46 -0.25 -0.08 -0.08 -0.55 0.00 0.00 175.29 174.79 1x6o s THR 160 N -3.06 0.74 0.12 -0.34 -1.32 -1.26 -0.85 115.64 109.66 1x6o s THR 160 Ca -0.01 -1.57 -0.24 0.00 -1.21 0.00 0.00 61.69 58.65 1x6o s THR 160 Cb 0.01 -1.24 0.08 0.00 -1.51 0.00 0.00 72.50 69.83 1x6o s THR 160 CO -0.07 -0.61 0.70 -1.59 -2.21 0.00 0.00 174.62 170.84 1x6o s LYS 161 N -2.78 1.18 0.09 7.08 -2.85 -0.95 -5.01 119.74 116.50 1x6o s LYS 161 Ca 0.03 -0.46 -0.06 0.00 -1.00 0.00 0.00 55.97 54.48 1x6o s LYS 161 Cb -0.02 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 1x6o s LYS 161 CO -0.01 -0.52 0.34 -0.80 0.10 0.00 0.00 175.35 174.45 1x6o s ASN 162 N -2.69 6.51 0.41 0.03 0.01 -1.26 -0.33 114.94 117.61 1x6o s ASN 162 Ca 0.03 0.59 -0.21 0.00 -0.71 0.00 0.00 52.86 52.56 1x6o s ASN 162 Cb -0.01 -2.10 -0.11 0.00 0.41 0.00 0.00 41.25 39.44 1x6o s ASN 162 CO -0.10 0.14 0.93 0.00 -1.51 0.00 0.00 177.10 176.56 1x6o s ALA 163 N -1.50 3.08 0.23 0.60 0.00 0.17 -4.90 121.76 119.46 1x6o s ALA 163 Ca 0.35 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.78 1x6o s ALA 163 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1x6o s ALA 163 CO 0.21 0.15 0.08 0.00 0.00 0.00 0.00 175.76 176.20 1x6o s ALA 164 N -2.10 3.34 -2.00 0.00 0.00 -1.26 -4.74 121.76 115.00 1x6o s ALA 164 Ca 0.60 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1x6o s ALA 164 Cb -0.10 -1.04 0.15 0.00 0.00 0.00 0.00 23.12 22.12 1x6o s ALA 164 CO 0.14 0.32 0.63 0.39 0.00 0.00 0.00 175.76 177.25