#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w n ASP 2 N 0.00 5.62 0.00 0.55 -0.08 -1.26 -4.86 116.55 116.53 1t6w n ASP 2 Ca 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 1t6w n ASP 2 Cb 0.00 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.09 1t6w n ASP 2 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1t6w n SER 3 N 2.52 0.00 0.00 1.67 7.64 -1.26 -4.85 113.62 119.35 1t6w n SER 3 Ca 0.24 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1t6w n SER 3 Cb 0.38 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1t6w n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t6w n GLY 4 N 2.21 4.05 3.04 0.23 0.00 -1.22 -4.41 105.19 109.08 1t6w n GLY 4 Ca 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 1t6w n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 5 N -2.31 0.17 -0.01 2.61 2.01 -1.26 0.11 115.64 116.96 1t6w s THR 5 Ca 0.00 -1.35 -0.12 0.00 0.31 0.00 0.00 61.69 60.52 1t6w s THR 5 Cb 0.00 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1t6w s THR 5 CO 0.00 -0.74 0.26 0.54 -0.69 0.00 0.00 174.62 173.98 1t6w s VAL 6 N -2.66 0.06 -0.10 3.82 0.11 0.12 -4.86 120.40 116.89 1t6w s VAL 6 Ca -0.05 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1t6w s VAL 6 Cb -0.01 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1t6w s VAL 6 CO -0.05 -0.28 -0.20 0.26 -3.33 0.00 0.00 175.10 171.50 1t6w s TRP 7 N -1.25 2.63 0.28 1.54 0.52 -1.26 -1.16 118.94 120.25 1t6w s TRP 7 Ca -0.13 -0.81 0.03 0.00 0.02 0.00 0.00 56.10 55.21 1t6w s TRP 7 Cb -0.06 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1t6w s TRP 7 CO 0.03 -0.28 0.31 0.41 0.02 0.00 0.00 176.95 177.45 1t6w n GLY 8 N 3.35 2.72 3.07 0.98 0.00 -0.25 -4.99 105.19 110.08 1t6w n GLY 8 Ca -0.18 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 1t6w n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w s ALA 9 N -2.87 1.29 0.19 4.61 0.00 -1.26 0.02 121.76 123.74 1t6w s ALA 9 Ca 0.29 -0.53 -0.33 0.00 0.00 0.00 0.00 51.96 51.39 1t6w s ALA 9 Cb 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 23.12 22.52 1t6w s ALA 9 CO 0.21 0.20 1.59 -0.11 0.00 0.00 0.00 175.76 177.65 1t6w n LEU 10 N 3.35 3.39 0.00 0.00 7.94 -0.59 -0.95 117.00 130.14 1t6w n LEU 10 Ca -0.19 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1t6w n LEU 10 Cb 0.53 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1t6w n LEU 10 CO 0.25 -0.17 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 1t6w n GLY 11 N 3.31 1.19 3.84 -3.96 0.00 0.58 -4.81 105.19 105.34 1t6w n GLY 11 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1t6w n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t6w s HIS 12 N -2.58 2.77 0.33 1.61 5.65 -0.12 -4.49 115.29 118.45 1t6w s HIS 12 Ca 0.00 -0.42 -0.06 0.00 0.25 0.00 0.00 55.06 54.83 1t6w s HIS 12 Cb 0.00 -1.95 0.08 0.00 -1.18 0.00 0.00 32.58 29.53 1t6w s HIS 12 CO 0.00 0.07 0.31 0.41 -0.65 0.00 0.00 174.74 174.88 1t6w n GLY 13 N -1.41 -2.43 0.00 1.59 0.00 -1.26 -1.26 105.19 100.42 1t6w n GLY 13 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1t6w n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t6w n ILE 14 N -3.10 0.00 -4.33 -0.61 0.13 -1.24 -4.69 119.36 105.52 1t6w n ILE 14 Ca 0.04 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.37 1t6w n ILE 14 Cb 0.16 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.80 1t6w n ILE 14 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1t6w s ASP 15 N 0.00 3.03 -0.64 9.51 2.15 -1.26 -1.52 116.67 127.94 1t6w s ASP 15 Ca 0.00 -0.60 -0.28 0.00 0.43 0.00 0.00 52.55 52.10 1t6w s ASP 15 Cb 0.00 -1.41 0.03 0.00 -0.30 0.00 0.00 42.92 41.24 1t6w s ASP 15 CO 0.00 0.02 1.28 -0.76 -0.17 0.00 0.00 175.17 175.55 1t6w s LEU 16 N 1.12 3.33 -0.21 -1.34 1.02 -0.77 -4.96 118.68 116.88 1t6w s LEU 16 Ca -0.00 -0.06 -0.22 0.00 0.02 0.00 0.00 54.13 53.86 1t6w s LEU 16 Cb -0.14 -2.90 -0.02 0.00 0.02 0.00 0.00 46.19 43.15 1t6w s LEU 16 CO -0.08 -1.68 0.70 -1.81 0.02 0.00 0.00 176.35 173.49 1t6w s ASP 17 N 3.65 6.74 -0.23 2.29 1.01 -1.26 -3.58 116.67 125.29 1t6w s ASP 17 Ca 0.42 0.90 -0.29 0.00 0.71 0.00 0.00 52.55 54.29 1t6w s ASP 17 Cb -0.08 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.48 1t6w s ASP 17 CO 0.21 -0.35 1.05 -0.63 0.21 0.00 0.00 175.17 175.65 1t6w s ILE 18 N 2.22 4.67 0.23 0.77 1.01 -1.26 -5.00 121.20 123.83 1t6w s ILE 18 Ca 0.31 2.01 -0.32 0.00 0.00 0.00 0.00 60.65 62.66 1t6w s ILE 18 Cb -0.16 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 1t6w s ILE 18 CO 0.10 -0.19 1.70 -2.84 0.00 0.00 0.00 174.94 173.71 1t6w s PRO 19 N 3.22 4.12 -0.99 2.79 0.02 -1.26 -3.57 135.00 139.32 1t6w s PRO 19 Ca 0.44 2.61 -0.14 0.00 0.02 0.00 0.00 61.00 63.93 1t6w s PRO 19 Cb -0.15 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1t6w s PRO 19 CO 0.06 -0.74 0.67 0.09 -0.33 0.00 0.00 177.00 176.76 1t6w n ASN 20 N 3.62 -4.96 -3.91 2.53 5.03 -1.26 -5.00 115.26 111.32 1t6w n ASN 20 Ca 0.14 -1.01 -0.10 0.00 0.87 0.00 0.00 54.58 54.48 1t6w n ASN 20 Cb 0.35 -2.24 -0.10 0.00 -1.02 0.00 0.00 39.78 36.77 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1t6w s PHE 21 N -3.23 0.12 -0.24 3.10 5.36 -1.23 -5.05 117.98 116.79 1t6w s PHE 21 Ca 0.23 -0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 55.90 1t6w s PHE 21 Cb -0.11 -0.10 0.10 0.00 -0.34 0.00 0.00 43.02 42.56 1t6w s PHE 21 CO 0.90 -0.24 0.18 -1.14 -1.46 0.00 0.00 175.22 173.47 1t6w s GLN 22 N -1.34 0.19 -0.92 10.12 0.74 -1.26 -5.01 119.66 122.18 1t6w s GLN 22 Ca -0.14 -0.17 -0.23 0.00 0.05 0.00 0.00 55.36 54.86 1t6w s GLN 22 Cb -0.08 -1.19 -0.15 0.00 1.10 0.00 0.00 33.01 32.69 1t6w s GLN 22 CO 0.00 -0.86 1.91 -0.12 -0.55 0.00 0.00 175.29 175.68 1t6w n MET 23 N 5.29 1.36 -2.09 1.67 0.00 -1.26 -4.72 117.12 117.37 1t6w n MET 23 Ca -0.05 -2.06 -0.08 0.00 -0.00 0.00 0.00 57.70 55.50 1t6w n MET 23 Cb 0.46 -3.32 0.01 0.00 0.00 0.00 0.00 33.22 30.37 1t6w n MET 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1t6w n THR 24 N 7.09 0.00 0.01 1.12 -2.24 -1.26 -4.77 114.28 114.22 1t6w n THR 24 Ca 0.47 -0.76 0.16 0.00 -2.27 0.00 0.00 64.05 61.65 1t6w n THR 24 Cb 0.44 -0.53 0.63 0.00 -2.10 0.00 0.00 70.33 68.77 1t6w n THR 24 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1t6w h ASP 25 N 0.16 0.10 0.28 3.42 5.19 -2.03 0.15 116.42 123.69 1t6w h ASP 25 Ca -0.12 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.27 1t6w h ASP 25 Cb 0.46 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1t6w h ASP 25 CO 0.18 0.06 -0.14 0.44 -3.12 0.00 0.00 179.24 176.66 1t6w h ASP 26 N 0.12 0.00 -3.36 6.45 3.32 -1.94 -3.42 116.42 117.60 1t6w h ASP 26 Ca 0.23 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.71 1t6w h ASP 26 Cb 0.76 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.25 1t6w h ASP 26 CO -0.03 0.14 0.20 -0.63 -1.72 0.00 0.00 179.24 177.20 1t6w s ILE 27 N -4.37 4.99 -0.10 0.35 -1.09 0.53 -2.69 121.20 118.80 1t6w s ILE 27 Ca -0.03 1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 59.86 1t6w s ILE 27 Cb 0.14 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1t6w s ILE 27 CO 0.62 0.16 -0.10 -0.67 -1.23 0.00 0.00 174.94 173.72 1t6w n ASP 28 N 4.42 2.55 -3.96 3.58 2.03 -0.04 -4.77 116.55 120.36 1t6w n ASP 28 Ca 0.01 -0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 1t6w n ASP 28 Cb 0.50 -0.20 -0.16 0.00 -0.72 0.00 0.00 41.12 40.54 1t6w n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1t6w s GLU 29 N -2.20 1.87 -0.30 -0.67 2.12 -1.04 -0.03 118.70 118.45 1t6w s GLU 29 Ca -0.14 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1t6w s GLU 29 Cb 0.04 -2.08 0.07 0.00 0.26 0.00 0.00 34.13 32.42 1t6w s GLU 29 CO 0.22 -0.34 -0.01 0.08 -0.54 0.00 0.00 175.26 174.67 1t6w s VAL 30 N 1.54 2.67 -0.13 3.70 1.01 0.63 -0.30 120.40 129.52 1t6w s VAL 30 Ca 0.02 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 1t6w s VAL 30 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1t6w s VAL 30 CO -0.09 -0.21 0.03 0.00 0.00 0.00 0.00 175.10 174.83 1t6w s ARG 31 N 1.15 3.50 -0.68 2.72 1.70 -1.16 -0.38 118.95 125.80 1t6w s ARG 31 Ca -0.03 -0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 54.83 1t6w s ARG 31 Cb -0.20 -3.00 0.17 0.00 -0.57 0.00 0.00 34.95 31.35 1t6w s ARG 31 CO -0.04 0.48 0.51 -1.58 -1.08 0.00 0.00 175.30 173.60 1t6w s TRP 32 N -0.25 3.49 0.00 5.89 0.52 0.63 -2.07 118.94 127.15 1t6w s TRP 32 Ca 0.07 -2.80 -0.01 0.00 0.02 0.00 0.00 56.10 53.37 1t6w s TRP 32 Cb -0.12 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 1t6w s TRP 32 CO 0.02 -0.81 0.14 -1.21 0.02 0.00 0.00 176.95 175.11 1t6w s GLU 33 N -0.37 3.25 -0.10 4.98 2.02 -0.25 -1.54 118.70 126.69 1t6w s GLU 33 Ca 0.19 -0.42 -0.03 0.00 0.02 0.00 0.00 54.97 54.74 1t6w s GLU 33 Cb -0.17 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.12 1t6w s GLU 33 CO -0.05 0.65 0.04 0.50 0.02 0.00 0.00 175.26 176.42 1t6w s ARG 34 N -1.92 0.31 6.59 1.61 3.52 -0.66 -0.61 118.95 127.80 1t6w s ARG 34 Ca 0.26 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1t6w s ARG 34 Cb -0.12 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 1t6w s ARG 34 CO 0.18 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.63 1t6w n GLY 35 N 5.20 3.16 2.24 8.12 0.00 -1.26 -1.49 105.19 121.16 1t6w n GLY 35 Ca -0.06 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t6w n SER 36 N 9.41 5.35 -3.66 1.61 3.41 -1.26 -5.02 113.62 123.46 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 -0.26 0.00 0.00 58.87 54.76 1t6w n SER 36 Cb 0.00 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1t6w s THR 37 N -4.92 0.08 0.04 6.66 2.01 -0.55 -5.17 115.64 113.79 1t6w s THR 37 Ca 0.52 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.88 1t6w s THR 37 Cb 0.42 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1t6w s THR 37 CO -0.06 -0.35 0.14 -0.76 -0.69 0.00 0.00 174.62 172.90 1t6w s LEU 38 N -2.77 4.11 -0.01 4.42 1.43 -1.26 -1.65 118.68 122.95 1t6w s LEU 38 Ca 0.03 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1t6w s LEU 38 Cb 0.02 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 1t6w s LEU 38 CO -0.11 0.20 -0.01 0.52 0.23 0.00 0.00 176.35 177.18 1t6w n VAL 39 N 0.61 0.03 -3.25 -1.59 0.31 -0.59 -4.63 118.33 109.22 1t6w n VAL 39 Ca -0.08 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 1t6w n VAL 39 Cb 0.52 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 1t6w n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t6w s ALA 40 N -2.01 -2.77 -0.23 3.52 0.00 -1.17 -1.37 121.76 117.73 1t6w s ALA 40 Ca -0.01 1.79 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1t6w s ALA 40 Cb 0.00 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.94 1t6w s ALA 40 CO 0.01 -1.25 -0.14 -1.21 0.00 0.00 0.00 175.76 173.17 1t6w s GLU 41 N 2.80 2.43 -0.24 0.00 2.02 -0.84 -0.27 118.70 124.60 1t6w s GLU 41 Ca 0.05 -1.13 -0.09 0.00 0.02 0.00 0.00 54.97 53.82 1t6w s GLU 41 Cb -0.11 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1t6w s GLU 41 CO -0.16 -0.45 0.11 0.12 0.02 0.00 0.00 175.26 174.90 1t6w s PHE 42 N 1.20 3.21 -0.07 1.61 2.19 0.49 -1.40 117.98 125.19 1t6w s PHE 42 Ca -0.04 -0.03 0.05 0.00 0.33 0.00 0.00 56.93 57.24 1t6w s PHE 42 Cb -0.17 -2.24 -0.01 0.00 -1.31 0.00 0.00 43.02 39.29 1t6w s PHE 42 CO -0.08 -0.09 -0.24 0.15 1.83 0.00 0.00 175.22 176.79 1t6w s LYS 43 N 1.21 2.72 0.56 10.12 1.02 -1.26 -0.27 119.74 133.84 1t6w s LYS 43 Ca 0.06 -0.89 0.35 0.00 0.02 0.00 0.00 55.97 55.51 1t6w s LYS 43 Cb -0.14 -2.22 1.50 0.00 -0.52 0.00 0.00 37.83 36.44 1t6w s LYS 43 CO 0.05 0.32 1.77 -0.09 -0.92 0.00 0.00 175.35 176.48 1t6w h ARG 44 N 6.26 0.00 -1.83 1.68 9.65 -0.81 0.12 114.38 129.45 1t6w h ARG 44 Ca -0.28 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.52 1t6w h ARG 44 Cb 1.20 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.74 1t6w h ARG 44 CO 0.47 0.00 0.11 1.63 2.80 0.00 0.00 179.97 184.98 1t6w n LYS 45 N -4.01 1.20 0.00 0.20 5.02 -1.26 -4.98 118.16 114.33 1t6w n LYS 45 Ca 0.23 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1t6w n LYS 45 Cb 1.21 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1t6w n LYS 45 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1t6w n MET 46 N 1.15 0.00 -3.38 1.97 1.56 0.41 -4.89 117.12 113.94 1t6w n MET 46 Ca 0.08 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.34 1t6w n MET 46 Cb 0.53 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.93 1t6w n MET 46 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1t6w n LYS 47 N -0.12 -1.61 -1.62 2.12 5.02 -1.26 -4.56 118.16 116.13 1t6w n LYS 47 Ca 0.00 0.90 -0.25 0.00 -2.02 0.00 0.00 58.31 56.94 1t6w n LYS 47 Cb 0.00 -4.96 0.17 0.00 -0.02 0.00 0.00 35.03 30.23 1t6w n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1t6w n PRO 48 N -3.08 -1.10 -3.89 1.97 -0.04 -1.26 -4.82 135.00 122.77 1t6w n PRO 48 Ca -0.08 -1.76 -0.30 0.00 -0.04 0.00 0.00 63.50 61.32 1t6w n PRO 48 Cb 0.59 -1.17 -0.15 0.00 -0.04 0.00 0.00 33.50 32.73 1t6w n PRO 48 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1t6w s PHE 49 N -3.47 2.71 -0.40 0.54 5.36 -0.50 -4.97 117.98 117.24 1t6w s PHE 49 Ca 0.64 -2.28 -0.16 0.00 -0.96 0.00 0.00 56.93 54.18 1t6w s PHE 49 Cb -0.02 -2.20 0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1t6w s PHE 49 CO 0.45 -0.89 0.37 -0.51 -1.46 0.00 0.00 175.22 173.18 1t6w s LEU 50 N 1.27 4.87 0.36 6.12 1.43 -1.26 -1.99 118.68 129.49 1t6w s LEU 50 Ca 0.07 -0.68 0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1t6w s LEU 50 Cb -0.18 -2.29 1.17 0.00 0.03 0.00 0.00 46.19 44.91 1t6w s LEU 50 CO -0.14 -0.49 1.65 0.50 0.23 0.00 0.00 176.35 178.10 1t6w h LYS 51 N 8.65 0.24 0.00 1.70 1.63 -1.48 -3.44 116.57 123.87 1t6w h LYS 51 Ca -0.27 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1t6w h LYS 51 Cb 1.12 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1t6w h LYS 51 CO 0.75 0.16 0.00 0.45 -3.45 0.00 0.00 179.45 177.36 1t6w n SER 52 N -5.04 0.00 0.02 4.20 2.88 -1.26 -4.99 113.62 109.43 1t6w n SER 52 Ca 0.33 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.88 1t6w n SER 52 Cb 1.08 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.59 1t6w n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t6w n GLY 53 N -0.05 -0.41 0.00 0.46 0.00 -1.26 -1.54 105.19 102.39 1t6w n GLY 53 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1t6w n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w n ALA 54 N -1.40 2.35 -2.39 4.61 0.00 -1.26 -4.77 120.51 117.66 1t6w n ALA 54 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1t6w n ALA 54 Cb 0.14 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 1t6w n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t6w s PHE 55 N -2.00 0.99 -0.21 0.00 0.08 -0.59 -1.12 117.98 115.14 1t6w s PHE 55 Ca 0.28 -0.74 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 1t6w s PHE 55 Cb 0.13 -0.55 0.10 0.00 -0.57 0.00 0.00 43.02 42.13 1t6w s PHE 55 CO 0.22 -0.05 0.42 -1.21 -0.10 0.00 0.00 175.22 174.50 1t6w s GLU 56 N -3.14 0.33 -0.62 0.44 2.02 -0.19 -4.91 118.70 112.63 1t6w s GLU 56 Ca 0.07 0.98 -0.27 0.00 0.02 0.00 0.00 54.97 55.77 1t6w s GLU 56 Cb -0.00 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.47 1t6w s GLU 56 CO -0.01 -0.31 1.60 -1.50 0.02 0.00 0.00 175.26 175.06 1t6w s ILE 57 N 2.62 3.56 1.11 -1.63 2.07 -1.26 -0.72 121.20 126.94 1t6w s ILE 57 Ca 0.00 0.38 -0.20 0.00 -1.41 0.00 0.00 60.65 59.42 1t6w s ILE 57 Cb -0.12 -4.31 0.07 0.00 0.13 0.00 0.00 42.46 38.23 1t6w s ILE 57 CO -0.13 -1.20 -0.20 0.18 -1.91 0.00 0.00 174.94 171.67 1t6w n LEU 58 N 11.00 -2.44 0.24 8.50 4.32 -0.01 -4.80 117.00 133.80 1t6w n LEU 58 Ca 0.14 -0.12 0.10 0.00 -0.02 0.00 0.00 56.01 56.11 1t6w n LEU 58 Cb 0.50 -0.89 0.58 0.00 -1.62 0.00 0.00 43.42 41.99 1t6w n LEU 58 CO 0.71 -2.99 0.87 0.00 -1.22 0.00 0.00 177.39 174.76 1t6w h ALA 59 N -1.95 1.18 -0.85 -1.18 0.00 -1.94 -2.77 119.26 111.75 1t6w h ALA 59 Ca -0.52 -0.18 -0.49 0.00 0.00 0.00 0.00 54.91 53.72 1t6w h ALA 59 Cb 1.37 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.87 1t6w h ALA 59 CO 0.36 0.25 0.62 0.27 0.00 0.00 0.00 179.25 180.75 1t6w n ASN 60 N -3.59 4.85 -2.47 0.00 0.23 -1.26 -4.83 115.26 108.19 1t6w n ASN 60 Ca -0.01 -3.44 -0.20 0.00 -0.53 0.00 0.00 54.58 50.40 1t6w n ASN 60 Cb 0.34 -0.86 -0.01 0.00 -2.08 0.00 0.00 39.78 37.17 1t6w n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t6w n GLY 61 N -0.80 -0.50 3.99 4.83 0.00 -1.05 -4.18 105.19 107.49 1t6w n GLY 61 Ca 0.52 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 1t6w n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t6w s ASP 62 N -2.11 5.45 -0.24 1.61 2.15 -1.25 -4.87 116.67 117.40 1t6w s ASP 62 Ca 0.03 -0.26 -0.05 0.00 0.43 0.00 0.00 52.55 52.70 1t6w s ASP 62 Cb -0.01 -0.70 -0.01 0.00 -0.30 0.00 0.00 42.92 41.90 1t6w s ASP 62 CO 0.04 -0.97 0.00 -0.22 -0.17 0.00 0.00 175.17 173.85 1t6w s LEU 63 N -4.55 3.16 -0.35 -1.34 2.96 -1.23 -0.83 118.68 116.49 1t6w s LEU 63 Ca 0.56 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1t6w s LEU 63 Cb -0.10 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1t6w s LEU 63 CO 0.36 -0.05 0.15 -0.75 -1.32 0.00 0.00 176.35 174.74 1t6w s LYS 64 N 1.51 2.81 0.05 1.98 2.36 0.10 -1.84 119.74 126.71 1t6w s LYS 64 Ca 0.05 -1.07 -0.19 0.00 -2.55 0.00 0.00 55.97 52.21 1t6w s LYS 64 Cb -0.15 -3.58 -0.06 0.00 -1.05 0.00 0.00 37.83 32.99 1t6w s LYS 64 CO -0.01 -0.64 0.57 0.42 1.55 0.00 0.00 175.35 177.23 1t6w s ILE 65 N 1.50 4.80 -0.16 5.43 1.01 -0.57 -1.02 121.20 132.18 1t6w s ILE 65 Ca 0.01 1.20 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 1t6w s ILE 65 Cb -0.19 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.15 1t6w s ILE 65 CO 0.05 0.52 0.55 0.50 0.00 0.00 0.00 174.94 176.55 1t6w h LYS 66 N 4.87 0.04 -2.64 2.79 3.64 -1.44 -3.29 116.57 120.54 1t6w h LYS 66 Ca -0.48 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 58.50 1t6w h LYS 66 Cb 1.21 0.02 -0.37 0.00 -0.41 0.00 0.00 32.23 32.69 1t6w h LYS 66 CO 0.65 1.03 -0.65 -0.80 -2.27 0.00 0.00 179.45 177.42 1t6w s ASN 67 N -6.57 1.49 0.55 4.20 -0.87 -1.26 -4.03 114.94 108.45 1t6w s ASN 67 Ca -0.23 -0.25 -0.20 0.00 -1.57 0.00 0.00 52.86 50.62 1t6w s ASN 67 Cb 0.01 0.28 -0.07 0.00 -0.02 0.00 0.00 41.25 41.46 1t6w s ASN 67 CO 0.67 -0.33 0.95 0.18 -2.57 0.00 0.00 177.10 176.00 1t6w n LEU 68 N 5.31 3.18 -3.97 0.60 4.77 -0.39 -4.55 117.00 121.95 1t6w n LEU 68 Ca -0.06 0.87 -0.09 0.00 -0.03 0.00 0.00 56.01 56.70 1t6w n LEU 68 Cb 0.49 -1.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1t6w n LEU 68 CO 0.08 -1.82 0.19 0.42 -1.33 0.00 0.00 177.39 174.94 1t6w s THR 69 N -1.46 0.00 0.15 -5.08 -4.23 -1.26 -0.30 115.64 103.46 1t6w s THR 69 Ca 0.71 -1.34 -0.22 0.00 -1.18 0.00 0.00 61.69 59.66 1t6w s THR 69 Cb -0.46 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.29 1t6w s THR 69 CO 0.51 -0.02 1.63 0.03 -0.54 0.00 0.00 174.62 176.23 1t6w h ARG 70 N 2.25 -0.22 -0.06 3.99 2.47 -1.95 0.11 114.38 120.96 1t6w h ARG 70 Ca -0.26 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.49 1t6w h ARG 70 Cb 1.25 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1t6w h ARG 70 CO 0.35 -0.14 0.21 0.22 0.56 0.00 0.00 179.97 181.17 1t6w h ASP 71 N -0.22 0.00 1.25 7.04 3.58 -2.01 0.23 116.42 126.30 1t6w h ASP 71 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1t6w h ASP 71 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1t6w h ASP 71 CO -0.40 0.00 -0.23 0.47 -2.88 0.00 0.00 179.24 176.20 1t6w n ASP 72 N -3.21 0.78 -4.64 2.28 8.00 0.36 -4.77 116.55 115.37 1t6w n ASP 72 Ca -0.01 0.41 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 1t6w n ASP 72 Cb 0.29 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t6w s SER 73 N -4.43 6.86 0.00 -2.24 0.15 0.81 -4.83 113.70 110.02 1t6w s SER 73 Ca 0.09 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1t6w s SER 73 Cb 0.13 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1t6w s SER 73 CO 0.64 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1t6w n GLY 74 N 3.85 -0.74 3.68 9.45 0.00 -0.28 -4.99 105.19 116.17 1t6w n GLY 74 Ca 0.08 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 1t6w n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 75 N -2.90 5.21 0.04 2.61 2.01 -1.26 -0.02 115.64 121.33 1t6w s THR 75 Ca 0.00 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1t6w s THR 75 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1t6w s THR 75 CO 0.00 0.28 0.13 -0.31 -0.69 0.00 0.00 174.62 174.03 1t6w s TYR 76 N 1.13 3.35 -0.08 4.92 1.51 0.62 -4.42 117.35 124.38 1t6w s TYR 76 Ca 0.19 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1t6w s TYR 76 Cb -0.14 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1t6w s TYR 76 CO 0.08 0.56 -0.10 -0.80 -1.11 0.00 0.00 175.55 174.18 1t6w s ASN 77 N -2.21 1.84 -0.12 2.29 0.01 0.23 -1.05 114.94 115.93 1t6w s ASN 77 Ca 0.29 -0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 52.15 1t6w s ASN 77 Cb -0.12 -0.79 -0.02 0.00 0.41 0.00 0.00 41.25 40.72 1t6w s ASN 77 CO 0.21 -0.03 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.99 1t6w s VAL 78 N 1.09 3.41 -0.39 1.60 1.01 -0.21 -1.09 120.40 125.82 1t6w s VAL 78 Ca -0.07 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1t6w s VAL 78 Cb -0.14 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.91 1t6w s VAL 78 CO -0.01 0.53 0.12 -0.89 0.00 0.00 0.00 175.10 174.85 1t6w s THR 79 N 0.05 2.26 -0.08 3.92 2.01 -0.88 -1.24 115.64 121.67 1t6w s THR 79 Ca -0.03 -2.58 -0.24 0.00 0.31 0.00 0.00 61.69 59.15 1t6w s THR 79 Cb -0.14 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1t6w s THR 79 CO 0.04 -0.67 0.75 -0.69 -0.69 0.00 0.00 174.62 173.36 1t6w s VAL 80 N 0.59 5.00 0.17 3.82 1.01 0.67 -2.97 120.40 128.68 1t6w s VAL 80 Ca 0.13 1.53 0.11 0.00 0.00 0.00 0.00 61.98 63.75 1t6w s VAL 80 Cb -0.21 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1t6w s VAL 80 CO -0.06 0.20 -0.23 -0.31 0.00 0.00 0.00 175.10 174.69 1t6w s TYR 81 N 1.10 2.35 0.75 5.22 2.02 0.59 0.11 117.35 129.49 1t6w s TYR 81 Ca 0.39 -0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.70 1t6w s TYR 81 Cb -0.18 -1.19 0.12 0.00 -0.40 0.00 0.00 41.96 40.31 1t6w s TYR 81 CO 0.18 0.46 1.04 -1.54 -1.57 0.00 0.00 175.55 174.12 1t6w s SER 82 N -2.51 4.28 0.49 2.29 1.04 -0.36 -0.86 113.70 118.07 1t6w s SER 82 Ca 0.19 -0.03 0.19 0.00 0.48 0.00 0.00 55.95 56.79 1t6w s SER 82 Cb -0.09 -0.39 1.25 0.00 0.10 0.00 0.00 66.02 66.89 1t6w s SER 82 CO 0.09 -1.92 2.07 0.71 0.98 0.00 0.00 173.24 175.18 1t6w h THR 83 N -0.71 0.92 0.00 2.02 1.35 -1.82 -0.75 112.91 113.92 1t6w h THR 83 Ca -0.40 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1t6w h THR 83 Cb 1.27 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1t6w h THR 83 CO 0.45 0.11 0.00 0.59 -0.25 0.00 0.00 175.52 176.42 1t6w n ASN 84 N -4.17 0.00 0.00 5.36 4.13 -1.26 -4.88 115.26 114.44 1t6w n ASN 84 Ca -0.03 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1t6w n ASN 84 Cb 0.19 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t6w n GLY 85 N 0.93 0.49 3.83 7.41 0.00 -0.29 -5.06 105.19 112.50 1t6w n GLY 85 Ca 0.14 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 1t6w n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 86 N -2.00 3.36 -0.04 2.61 2.01 -1.26 -4.87 115.64 115.45 1t6w s THR 86 Ca 0.00 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.27 1t6w s THR 86 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1t6w s THR 86 CO 0.00 -0.16 1.10 -0.13 -0.69 0.00 0.00 174.62 174.74 1t6w s ARG 87 N -3.98 4.43 -0.03 4.92 0.52 -1.26 -1.22 118.95 122.32 1t6w s ARG 87 Ca 0.41 1.55 -0.04 0.00 -0.52 0.00 0.00 55.73 57.13 1t6w s ARG 87 Cb -0.05 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1t6w s ARG 87 CO 0.26 -0.29 -0.07 -0.89 0.02 0.00 0.00 175.30 174.32 1t6w n ILE 88 N 4.33 0.39 -3.90 1.52 2.08 0.29 -4.86 119.36 119.22 1t6w n ILE 88 Ca 0.09 0.34 -0.19 0.00 0.56 0.00 0.00 62.75 63.56 1t6w n ILE 88 Cb 0.48 -1.61 -0.17 0.00 -0.75 0.00 0.00 39.64 37.59 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1t6w s LEU 89 N -5.73 0.98 -0.32 1.39 0.20 -0.95 -4.97 118.68 109.27 1t6w s LEU 89 Ca -0.06 -0.03 -0.01 0.00 0.69 0.00 0.00 54.13 54.72 1t6w s LEU 89 Cb 0.01 -0.27 0.07 0.00 -0.43 0.00 0.00 46.19 45.57 1t6w s LEU 89 CO 0.09 -0.13 0.03 0.21 -0.29 0.00 0.00 176.35 176.27 1t6w s ASN 90 N 1.29 4.89 0.30 3.68 3.04 -1.26 -0.24 114.94 126.64 1t6w s ASN 90 Ca -0.06 -1.55 0.10 0.00 0.04 0.00 0.00 52.86 51.39 1t6w s ASN 90 Cb -0.13 -1.70 -0.05 0.00 -1.54 0.00 0.00 41.25 37.82 1t6w s ASN 90 CO -0.02 -0.32 -0.08 -0.54 -3.04 0.00 0.00 177.10 173.09 1t6w s LYS 91 N 1.17 1.96 -0.09 0.43 -0.14 -0.38 -4.97 119.74 117.72 1t6w s LYS 91 Ca -0.01 -1.70 -0.03 0.00 -1.36 0.00 0.00 55.97 52.87 1t6w s LYS 91 Cb -0.20 -1.90 0.05 0.00 -1.68 0.00 0.00 37.83 34.09 1t6w s LYS 91 CO -0.03 0.26 0.17 0.00 -0.76 0.00 0.00 175.35 174.99 1t6w s ALA 92 N -2.48 -0.24 0.22 5.17 0.00 -1.26 -1.05 121.76 122.13 1t6w s ALA 92 Ca 0.32 0.64 0.11 0.00 0.00 0.00 0.00 51.96 53.03 1t6w s ALA 92 Cb -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1t6w s ALA 92 CO 0.18 -0.49 -0.22 -0.51 0.00 0.00 0.00 175.76 174.71 1t6w s LEU 93 N 2.08 2.49 -0.35 0.00 1.02 -0.21 -3.46 118.68 120.25 1t6w s LEU 93 Ca 0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 54.13 53.14 1t6w s LEU 93 Cb -0.12 -1.13 0.03 0.00 0.02 0.00 0.00 46.19 44.99 1t6w s LEU 93 CO -0.06 0.09 0.15 -1.81 0.02 0.00 0.00 176.35 174.74 1t6w s ASP 94 N -2.95 5.51 -0.57 2.29 1.11 0.30 -0.28 116.67 122.07 1t6w s ASP 94 Ca 0.24 -1.01 -0.14 0.00 0.18 0.00 0.00 52.55 51.82 1t6w s ASP 94 Cb -0.07 -1.95 0.14 0.00 1.07 0.00 0.00 42.92 42.12 1t6w s ASP 94 CO 0.11 -0.34 0.51 -0.22 1.18 0.00 0.00 175.17 176.41 1t6w s LEU 95 N 1.49 6.16 -0.24 1.23 0.20 0.97 0.13 118.68 128.62 1t6w s LEU 95 Ca 0.01 -1.99 -0.17 0.00 0.69 0.00 0.00 54.13 52.67 1t6w s LEU 95 Cb -0.19 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 1t6w s LEU 95 CO 0.05 -0.77 0.49 -0.13 -0.29 0.00 0.00 176.35 175.70 1t6w s ARG 96 N 1.28 4.11 -0.28 1.98 1.81 -0.31 -1.12 118.95 126.42 1t6w s ARG 96 Ca 0.06 0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 54.30 1t6w s ARG 96 Cb -0.26 -3.61 -0.00 0.00 -0.45 0.00 0.00 34.95 30.63 1t6w s ARG 96 CO 0.00 -0.25 0.09 0.42 -0.68 0.00 0.00 175.30 174.88 1t6w s ILE 97 N 1.97 4.14 -0.06 1.52 -1.09 -1.26 -1.09 121.20 125.33 1t6w s ILE 97 Ca 0.21 -0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 57.82 1t6w s ILE 97 Cb -0.15 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 1t6w s ILE 97 CO 0.09 0.15 1.27 -0.76 -1.23 0.00 0.00 174.94 174.46 1t6w s LEU 98 N 1.55 4.27 0.00 2.97 1.43 0.10 -4.79 118.68 124.21 1t6w s LEU 98 Ca 0.04 1.87 0.25 0.00 -1.03 0.00 0.00 54.13 55.26 1t6w s LEU 98 Cb -0.17 -3.55 0.37 0.00 0.03 0.00 0.00 46.19 42.87 1t6w s LEU 98 CO 0.03 -0.65 1.36 -0.62 0.23 0.00 0.00 176.35 176.70