#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w h ASP 2 N 0.00 -0.34 -4.05 6.15 5.19 -2.09 -3.48 116.42 117.81 1t6w h ASP 2 Ca 0.00 0.01 -0.34 0.00 -0.62 0.00 0.00 57.03 56.08 1t6w h ASP 2 Cb 0.00 0.09 -0.14 0.00 0.18 0.00 0.00 39.33 39.45 1t6w h ASP 2 CO 0.00 -0.00 -0.68 -0.44 -3.12 0.00 0.00 179.24 175.00 1t6w s SER 3 N -4.43 1.68 0.77 6.45 0.01 -1.26 -5.05 113.70 111.86 1t6w s SER 3 Ca -0.06 -1.15 -0.11 0.00 1.31 0.00 0.00 55.95 55.94 1t6w s SER 3 Cb 0.01 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1t6w s SER 3 CO 0.18 -0.47 1.09 -0.83 0.41 0.00 0.00 173.24 173.61 1t6w s GLY 4 N -3.23 1.64 0.04 3.44 0.00 -1.22 -4.84 107.32 103.15 1t6w s GLY 4 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1t6w s GLY 4 CO 0.05 0.28 -0.04 -1.59 0.00 0.00 0.00 173.10 171.80 1t6w s THR 5 N -3.12 0.28 -0.01 0.90 2.01 -1.26 0.12 115.64 114.57 1t6w s THR 5 Ca 0.60 -1.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 1t6w s THR 5 Cb -0.14 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1t6w s THR 5 CO 0.54 -0.71 0.23 0.54 -0.69 0.00 0.00 174.62 174.54 1t6w s VAL 6 N -2.59 0.07 -0.10 3.82 0.11 0.12 -4.87 120.40 116.96 1t6w s VAL 6 Ca -0.04 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 1t6w s VAL 6 Cb -0.02 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1t6w s VAL 6 CO -0.04 -0.32 -0.22 0.26 -3.33 0.00 0.00 175.10 171.45 1t6w s TRP 7 N -1.37 2.59 0.30 1.54 0.52 -1.26 -1.20 118.94 120.05 1t6w s TRP 7 Ca -0.14 -0.90 0.04 0.00 0.02 0.00 0.00 56.10 55.11 1t6w s TRP 7 Cb -0.06 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 1t6w s TRP 7 CO 0.03 -0.33 0.32 0.41 0.02 0.00 0.00 176.95 177.39 1t6w n GLY 8 N 3.39 2.73 3.10 0.98 0.00 -0.25 -4.99 105.19 110.15 1t6w n GLY 8 Ca -0.19 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.98 1.48 0.18 4.61 0.00 -1.26 0.00 121.76 123.80 1t6w s ALA 9 Ca 0.31 -0.62 -0.33 0.00 0.00 0.00 0.00 51.96 51.32 1t6w s ALA 9 Cb 0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 23.12 22.45 1t6w s ALA 9 CO 0.22 0.22 1.55 -0.11 0.00 0.00 0.00 175.76 177.65 1t6w n LEU 10 N 3.38 3.18 0.00 0.00 7.94 -0.59 -0.83 117.00 130.08 1t6w n LEU 10 Ca -0.20 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1t6w n LEU 10 Cb 0.53 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.04 1t6w n LEU 10 CO 0.25 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 176.85 1t6w n GLY 11 N 3.16 1.28 3.83 -3.96 0.00 0.00 -4.81 105.19 104.70 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 -2.71 2.76 0.36 1.61 5.65 -0.01 -4.50 115.29 118.45 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 0.09 0.00 -1.18 0.00 0.00 32.58 29.54 1t6w s HIS 12 CO 0.00 0.08 0.33 0.41 -0.65 0.00 0.00 174.74 174.91 1t6w n GLY 13 N -1.40 -2.47 0.00 1.59 0.00 -1.26 -1.25 105.19 100.39 1t6w n GLY 13 Ca 0.00 -1.47 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 -3.18 0.00 -4.33 -0.61 0.13 -1.24 -4.68 119.36 105.45 1t6w n ILE 14 Ca 0.05 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.38 1t6w n ILE 14 Cb 0.18 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.81 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 2.92 -0.48 9.51 2.15 -1.26 -1.50 116.67 128.00 1t6w s ASP 15 Ca 0.00 -0.57 -0.29 0.00 0.43 0.00 0.00 52.55 52.13 1t6w s ASP 15 Cb 0.00 -1.35 0.02 0.00 -0.30 0.00 0.00 42.92 41.30 1t6w s ASP 15 CO 0.00 0.02 1.27 -0.76 -0.17 0.00 0.00 175.17 175.53 1t6w s LEU 16 N 1.13 3.56 -0.22 -1.34 1.02 -0.69 -4.94 118.68 117.19 1t6w s LEU 16 Ca -0.01 0.50 -0.17 0.00 0.02 0.00 0.00 54.13 54.47 1t6w s LEU 16 Cb -0.14 -3.43 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 1t6w s LEU 16 CO -0.07 -1.41 0.46 -1.81 0.02 0.00 0.00 176.35 173.54 1t6w s ASP 17 N 3.26 6.45 -0.23 2.29 1.01 -1.26 -3.38 116.67 124.79 1t6w s ASP 17 Ca 0.52 0.53 -0.29 0.00 0.71 0.00 0.00 52.55 54.02 1t6w s ASP 17 Cb -0.10 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1t6w s ASP 17 CO 0.30 -0.17 1.08 -0.63 0.21 0.00 0.00 175.17 175.96 1t6w s ILE 18 N 1.73 4.60 0.23 0.77 1.01 -1.26 -5.00 121.20 123.27 1t6w s ILE 18 Ca 0.20 1.92 -0.31 0.00 0.00 0.00 0.00 60.65 62.46 1t6w s ILE 18 Cb -0.15 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 1t6w s ILE 18 CO 0.09 -0.22 1.68 -2.84 0.00 0.00 0.00 174.94 173.65 1t6w s PRO 19 N 3.31 4.13 -1.01 2.79 0.02 -1.26 -3.61 135.00 139.37 1t6w s PRO 19 Ca 0.46 2.59 -0.16 0.00 0.02 0.00 0.00 61.00 63.90 1t6w s PRO 19 Cb -0.15 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.31 1t6w s PRO 19 CO 0.08 -0.72 0.67 0.09 -0.33 0.00 0.00 177.00 176.80 1t6w n ASN 20 N 3.56 -4.87 -3.97 2.53 5.03 -1.26 -4.99 115.26 111.29 1t6w n ASN 20 Ca 0.14 -1.04 -0.09 0.00 0.87 0.00 0.00 54.58 54.46 1t6w n ASN 20 Cb 0.36 -2.19 -0.11 0.00 -1.02 0.00 0.00 39.78 36.82 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 -3.26 0.23 -0.13 3.10 5.36 -1.24 -5.08 117.98 116.96 1t6w s PHE 21 Ca 0.26 -0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1t6w s PHE 21 Cb -0.13 -0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.42 1t6w s PHE 21 CO 0.91 -0.18 -0.02 -0.65 -1.46 0.00 0.00 175.22 173.83 1t6w s GLN 22 N -1.32 0.95 -0.92 10.12 -0.21 -1.26 -5.02 119.66 121.99 1t6w s GLN 22 Ca -0.14 -0.21 -0.18 0.00 0.02 0.00 0.00 55.36 54.84 1t6w s GLN 22 Cb -0.09 -1.56 0.14 0.00 1.00 0.00 0.00 33.01 32.50 1t6w s GLN 22 CO -0.01 -0.40 1.11 1.41 -2.12 0.00 0.00 175.29 175.28 1t6w s MET 23 N 1.83 3.60 0.14 2.91 -2.45 -1.26 -4.78 119.30 119.29 1t6w s MET 23 Ca 0.03 -1.80 0.01 0.00 -1.25 0.00 0.00 55.69 52.67 1t6w s MET 23 Cb -0.14 -4.89 -0.00 0.00 1.25 0.00 0.00 34.83 31.05 1t6w s MET 23 CO -0.07 -1.75 0.03 0.25 1.05 0.00 0.00 175.02 174.53 1t6w n THR 24 N 5.41 0.00 0.10 10.11 -2.24 -1.26 -4.78 114.28 121.62 1t6w n THR 24 Ca 0.23 -0.76 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 1t6w n THR 24 Cb 0.49 0.22 0.64 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.46 0.06 0.15 3.42 5.19 -2.01 0.53 116.42 124.21 1t6w h ASP 25 Ca -0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1t6w h ASP 25 Cb 0.40 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 1t6w h ASP 25 CO 0.19 0.04 -0.06 -0.78 -3.12 0.00 0.00 179.24 175.51 1t6w h ASP 26 N 0.06 0.00 -3.33 6.45 1.82 -1.95 -3.41 116.42 116.05 1t6w h ASP 26 Ca 0.15 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.24 1t6w h ASP 26 Cb 0.50 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1t6w h ASP 26 CO -0.01 0.06 0.46 -0.63 -1.61 0.00 0.00 179.24 177.50 1t6w s ILE 27 N -4.49 4.75 -0.23 2.25 -1.09 0.17 -2.58 121.20 120.00 1t6w s ILE 27 Ca -0.04 1.99 0.03 0.00 -2.23 0.00 0.00 60.65 60.40 1t6w s ILE 27 Cb 0.14 -4.28 -0.16 0.00 -1.58 0.00 0.00 42.46 36.59 1t6w s ILE 27 CO 0.58 0.10 -0.17 -0.67 -1.23 0.00 0.00 174.94 173.55 1t6w n ASP 28 N 4.28 2.01 -3.95 3.58 2.03 -0.61 -4.84 116.55 119.05 1t6w n ASP 28 Ca 0.07 -0.11 -0.09 0.00 0.52 0.00 0.00 54.79 55.18 1t6w n ASP 28 Cb 0.50 -0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 40.59 1t6w n ASP 28 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1t6w s GLU 29 N -2.46 0.52 -0.17 -0.67 2.02 -1.08 0.10 118.70 116.95 1t6w s GLU 29 Ca -0.29 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 53.93 1t6w s GLU 29 Cb 0.08 0.20 0.09 0.00 0.10 0.00 0.00 34.13 34.59 1t6w s GLU 29 CO 0.56 -0.12 0.30 0.08 0.02 0.00 0.00 175.26 176.10 1t6w s VAL 30 N -2.35 -0.47 -0.11 2.63 1.01 -0.89 -0.04 120.40 120.18 1t6w s VAL 30 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1t6w s VAL 30 Cb -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1t6w s VAL 30 CO -0.04 0.01 -0.10 -0.13 0.00 0.00 0.00 175.10 174.85 1t6w s ARG 31 N 2.46 3.14 -0.75 2.72 0.52 -0.91 -0.09 118.95 126.03 1t6w s ARG 31 Ca 0.04 -0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 54.61 1t6w s ARG 31 Cb -0.13 -2.63 0.19 0.00 0.52 0.00 0.00 34.95 32.89 1t6w s ARG 31 CO -0.11 0.40 0.59 -1.58 0.02 0.00 0.00 175.30 174.62 1t6w s TRP 32 N -0.11 3.63 0.04 -0.53 0.52 0.14 -1.42 118.94 121.21 1t6w s TRP 32 Ca -0.00 -2.91 0.00 0.00 0.02 0.00 0.00 56.10 53.21 1t6w s TRP 32 Cb -0.13 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 1t6w s TRP 32 CO 0.03 -0.77 0.14 -1.21 0.02 0.00 0.00 176.95 175.16 1t6w s GLU 33 N -0.76 3.20 -0.06 4.98 2.02 -0.34 -1.62 118.70 126.12 1t6w s GLU 33 Ca 0.22 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.70 1t6w s GLU 33 Cb -0.13 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.21 1t6w s GLU 33 CO -0.08 0.62 0.05 0.50 0.02 0.00 0.00 175.26 176.37 1t6w s ARG 34 N -2.18 0.08 6.51 1.61 3.00 -0.73 -0.29 118.95 126.94 1t6w s ARG 34 Ca 0.29 0.26 0.00 0.00 -1.00 0.00 0.00 55.73 55.29 1t6w s ARG 34 Cb -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 34.95 34.06 1t6w s ARG 34 CO 0.21 -0.37 0.00 0.41 0.00 0.00 0.00 175.30 175.56 1t6w n GLY 35 N 5.26 3.15 2.24 8.12 0.00 -1.26 -1.52 105.19 121.19 1t6w n GLY 35 Ca -0.04 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1t6w n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t6w n SER 36 N 9.32 5.17 -3.66 1.61 7.64 -1.26 -5.02 113.62 127.42 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1t6w s THR 37 N -4.96 0.08 0.02 0.44 2.01 -0.58 -5.17 115.64 107.49 1t6w s THR 37 Ca 0.51 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 1t6w s THR 37 Cb 0.42 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1t6w s THR 37 CO -0.06 -0.36 0.13 -0.76 -0.69 0.00 0.00 174.62 172.88 1t6w s LEU 38 N -2.81 4.07 -0.02 4.42 1.43 -1.26 -1.78 118.68 122.73 1t6w s LEU 38 Ca 0.03 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1t6w s LEU 38 Cb 0.02 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1t6w s LEU 38 CO -0.12 0.23 -0.02 0.52 0.23 0.00 0.00 176.35 177.20 1t6w n VAL 39 N 0.85 0.11 -3.22 -1.59 0.31 -0.64 -4.62 118.33 109.53 1t6w n VAL 39 Ca -0.10 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.23 1t6w n VAL 39 Cb 0.52 -0.85 -0.02 0.00 -0.91 0.00 0.00 33.84 32.58 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 -2.04 -2.84 -0.19 3.52 0.00 -1.16 -1.32 121.76 117.72 1t6w s ALA 40 Ca -0.03 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1t6w s ALA 40 Cb 0.01 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1t6w s ALA 40 CO 0.04 -1.30 -0.16 -1.21 0.00 0.00 0.00 175.76 173.13 1t6w s GLU 41 N 2.84 3.01 0.21 0.00 2.02 -0.69 -0.69 118.70 125.40 1t6w s GLU 41 Ca 0.06 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.28 1t6w s GLU 41 Cb -0.11 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 1t6w s GLU 41 CO -0.16 -0.23 0.16 0.12 0.02 0.00 0.00 175.26 175.17 1t6w s PHE 42 N 1.31 3.12 -0.00 1.61 2.19 0.87 -0.79 117.98 126.29 1t6w s PHE 42 Ca 0.04 -0.07 -0.19 0.00 0.33 0.00 0.00 56.93 57.04 1t6w s PHE 42 Cb -0.14 -1.45 0.04 0.00 -1.31 0.00 0.00 43.02 40.16 1t6w s PHE 42 CO -0.11 0.52 0.42 0.15 1.83 0.00 0.00 175.22 178.04 1t6w s LYS 43 N -3.50 0.83 -0.78 10.12 1.02 -1.26 -2.10 119.74 124.07 1t6w s LYS 43 Ca 0.32 -0.14 -0.26 0.00 0.02 0.00 0.00 55.97 55.91 1t6w s LYS 43 Cb -0.09 0.38 -0.14 0.00 -0.52 0.00 0.00 37.83 37.46 1t6w s LYS 43 CO 0.24 -0.26 2.42 -2.13 -0.92 0.00 0.00 175.35 174.70 1t6w n ARG 44 N 0.96 0.57 0.00 1.68 3.00 0.11 -3.34 116.66 119.64 1t6w n ARG 44 Ca -0.20 -0.83 0.00 0.00 -0.00 0.00 0.00 57.85 56.82 1t6w n ARG 44 Cb 0.57 -3.68 0.00 0.00 0.00 0.00 0.00 32.46 29.35 1t6w n ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t6w n LYS 45 N 8.80 0.00 -1.46 -0.14 5.02 -1.26 -4.97 118.16 124.15 1t6w n LYS 45 Ca 0.47 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.32 1t6w n LYS 45 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.43 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1t6w n MET 46 N 0.00 0.57 -1.68 1.97 2.81 -1.21 -4.79 117.12 114.80 1t6w n MET 46 Ca 0.00 0.20 -0.45 0.00 -1.81 0.00 0.00 57.70 55.64 1t6w n MET 46 Cb 0.00 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.05 1t6w n MET 46 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1t6w n LYS 47 N 0.79 2.47 -0.57 0.03 2.85 -1.26 -4.20 118.16 118.27 1t6w n LYS 47 Ca 0.13 0.90 -0.08 0.00 -1.05 0.00 0.00 58.31 58.21 1t6w n LYS 47 Cb 0.34 -2.77 0.06 0.00 -0.65 0.00 0.00 35.03 32.00 1t6w n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1t6w n PRO 48 N 6.26 -0.33 -3.64 -1.58 -0.04 -1.26 -4.86 135.00 129.55 1t6w n PRO 48 Ca 0.20 -0.60 -0.28 0.00 -0.04 0.00 0.00 63.50 62.79 1t6w n PRO 48 Cb 0.34 -0.38 -0.16 0.00 -0.04 0.00 0.00 33.50 33.26 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 -1.77 0.79 -0.41 0.54 5.36 0.03 -4.96 117.98 117.56 1t6w s PHE 49 Ca 0.21 -0.97 -0.16 0.00 -0.96 0.00 0.00 56.93 55.05 1t6w s PHE 49 Cb -0.01 -1.08 0.02 0.00 -0.34 0.00 0.00 43.02 41.61 1t6w s PHE 49 CO 0.15 -0.73 0.38 -0.51 -1.46 0.00 0.00 175.22 173.04 1t6w s LEU 50 N 1.94 4.89 0.33 6.12 1.43 -1.26 -1.71 118.68 130.42 1t6w s LEU 50 Ca 0.05 -0.70 0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1t6w s LEU 50 Cb -0.17 -2.30 1.02 0.00 0.03 0.00 0.00 46.19 44.78 1t6w s LEU 50 CO -0.22 -0.50 1.67 0.50 0.23 0.00 0.00 176.35 178.03 1t6w h LYS 51 N 8.66 0.33 -1.18 1.70 3.64 -1.46 -3.45 116.57 124.81 1t6w h LYS 51 Ca -0.27 -0.02 0.34 0.00 -1.27 0.00 0.00 60.65 59.43 1t6w h LYS 51 Cb 1.12 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.69 1t6w h LYS 51 CO 0.76 0.22 0.93 -1.54 -2.27 0.00 0.00 179.45 177.55 1t6w s SER 52 N -4.96 -0.04 0.12 4.20 1.04 -1.26 -4.99 113.70 107.80 1t6w s SER 52 Ca -0.10 -0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.36 1t6w s SER 52 Cb 0.29 0.06 0.33 0.00 0.10 0.00 0.00 66.02 66.81 1t6w s SER 52 CO 0.79 -0.10 1.10 0.61 0.98 0.00 0.00 173.24 176.62 1t6w n GLY 53 N -0.25 -0.52 0.00 7.32 0.00 -1.26 -1.40 105.19 109.09 1t6w n GLY 53 Ca -0.02 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.49 2.36 -2.39 4.61 0.00 -1.26 -4.76 120.51 117.57 1t6w n ALA 54 Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1t6w n ALA 54 Cb 0.13 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 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 1.18 -0.21 0.00 0.08 -0.49 -1.06 117.98 115.49 1t6w s PHE 55 Ca 0.30 -0.68 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 1t6w s PHE 55 Cb 0.14 -0.63 0.10 0.00 -0.57 0.00 0.00 43.02 42.06 1t6w s PHE 55 CO 0.23 0.05 0.40 -1.21 -0.10 0.00 0.00 175.22 174.59 1t6w s GLU 56 N -3.13 0.32 -0.68 0.44 2.02 -0.12 -4.91 118.70 112.65 1t6w s GLU 56 Ca 0.10 0.89 -0.27 0.00 0.02 0.00 0.00 54.97 55.72 1t6w s GLU 56 Cb -0.01 0.11 -0.00 0.00 0.10 0.00 0.00 34.13 34.33 1t6w s GLU 56 CO 0.01 -0.36 1.64 -1.50 0.02 0.00 0.00 175.26 175.06 1t6w s ILE 57 N 2.59 3.51 1.07 -1.63 2.07 -1.26 -0.71 121.20 126.84 1t6w s ILE 57 Ca 0.03 0.24 -0.18 0.00 -1.41 0.00 0.00 60.65 59.33 1t6w s ILE 57 Cb -0.13 -4.33 0.06 0.00 0.13 0.00 0.00 42.46 38.19 1t6w s ILE 57 CO -0.13 -1.29 -0.01 0.18 -1.91 0.00 0.00 174.94 171.78 1t6w n LEU 58 N 11.45 -1.94 0.25 8.50 4.32 0.33 -4.82 117.00 135.10 1t6w n LEU 58 Ca 0.15 0.01 0.12 0.00 -0.02 0.00 0.00 56.01 56.26 1t6w n LEU 58 Cb 0.51 -0.99 0.62 0.00 -1.62 0.00 0.00 43.42 41.94 1t6w n LEU 58 CO 0.71 -3.28 0.91 0.00 -1.22 0.00 0.00 177.39 174.50 1t6w h ALA 59 N -1.85 1.14 -0.84 -1.18 0.00 -1.93 -2.79 119.26 111.80 1t6w h ALA 59 Ca -0.50 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 53.79 1t6w h ALA 59 Cb 1.34 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.85 1t6w h ALA 59 CO 0.36 0.20 0.61 0.27 0.00 0.00 0.00 179.25 180.69 1t6w n ASN 60 N -3.48 4.86 -2.92 0.00 0.23 -1.26 -4.85 115.26 107.85 1t6w n ASN 60 Ca -0.01 -3.42 -0.22 0.00 -0.53 0.00 0.00 54.58 50.40 1t6w n ASN 60 Cb 0.32 -0.86 0.02 0.00 -2.08 0.00 0.00 39.78 37.18 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 -0.76 -0.51 3.93 4.83 0.00 -1.05 -4.44 105.19 107.18 1t6w n GLY 61 Ca 0.51 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.54 5.60 -0.25 1.61 2.15 -1.25 -4.87 116.67 117.13 1t6w s ASP 62 Ca 0.24 -0.37 -0.07 0.00 0.43 0.00 0.00 52.55 52.78 1t6w s ASP 62 Cb -0.11 -1.04 -0.02 0.00 -0.30 0.00 0.00 42.92 41.44 1t6w s ASP 62 CO 0.30 -0.43 0.06 -0.22 -0.17 0.00 0.00 175.17 174.70 1t6w s LEU 63 N -4.11 3.39 -0.35 -1.34 2.96 -1.22 -0.51 118.68 117.51 1t6w s LEU 63 Ca 0.44 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 1t6w s LEU 63 Cb -0.08 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1t6w s LEU 63 CO 0.29 -0.04 0.17 -0.75 -1.32 0.00 0.00 176.35 174.70 1t6w s LYS 64 N 1.59 2.87 0.02 1.98 2.20 0.12 -1.71 119.74 126.81 1t6w s LYS 64 Ca 0.06 -1.03 -0.18 0.00 -0.36 0.00 0.00 55.97 54.46 1t6w s LYS 64 Cb -0.15 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1t6w s LYS 64 CO 0.03 -0.63 0.51 0.42 -0.36 0.00 0.00 175.35 175.31 1t6w s ILE 65 N 1.53 4.91 -0.14 5.43 1.01 -0.57 -0.94 121.20 132.43 1t6w s ILE 65 Ca 0.02 1.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.49 1t6w s ILE 65 Cb -0.19 -3.83 -0.25 0.00 0.01 0.00 0.00 42.46 38.21 1t6w s ILE 65 CO 0.05 0.52 0.57 0.50 0.00 0.00 0.00 174.94 176.59 1t6w h LYS 66 N 4.98 0.08 -2.68 2.79 3.64 -1.41 -3.28 116.57 120.68 1t6w h LYS 66 Ca -0.49 -0.13 -0.34 0.00 -1.27 0.00 0.00 60.65 58.42 1t6w h LYS 66 Cb 1.21 0.05 -0.37 0.00 -0.41 0.00 0.00 32.23 32.71 1t6w h LYS 66 CO 0.65 1.06 -0.65 -0.80 -2.27 0.00 0.00 179.45 177.45 1t6w s ASN 67 N -6.65 1.45 0.52 4.20 0.02 -1.26 -4.03 114.94 109.20 1t6w s ASN 67 Ca -0.22 -0.21 -0.21 0.00 -1.02 0.00 0.00 52.86 51.21 1t6w s ASN 67 Cb 0.02 0.27 -0.08 0.00 0.02 0.00 0.00 41.25 41.48 1t6w s ASN 67 CO 0.69 -0.32 0.94 0.18 0.02 0.00 0.00 177.10 178.61 1t6w n LEU 68 N 5.31 2.96 -3.86 0.60 4.77 -0.38 -4.57 117.00 121.84 1t6w n LEU 68 Ca -0.06 0.89 -0.09 0.00 -0.03 0.00 0.00 56.01 56.73 1t6w n LEU 68 Cb 0.49 -1.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.16 1t6w n LEU 68 CO 0.08 -1.81 -0.06 0.42 -1.33 0.00 0.00 177.39 174.69 1t6w s THR 69 N -1.44 0.12 0.13 -5.08 -4.23 -1.26 -0.82 115.64 103.07 1t6w s THR 69 Ca 0.70 -1.17 -0.28 0.00 -1.18 0.00 0.00 61.69 59.76 1t6w s THR 69 Cb -0.47 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 1t6w s THR 69 CO 0.52 -0.57 1.59 0.03 -0.54 0.00 0.00 174.62 175.66 1t6w h ARG 70 N 2.68 -0.46 -0.17 3.99 -0.00 -1.95 0.15 114.38 118.63 1t6w h ARG 70 Ca -0.34 0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.23 1t6w h ARG 70 Cb 1.21 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 31.28 1t6w h ARG 70 CO 0.54 -0.30 0.36 0.22 0.00 0.00 0.00 179.97 180.79 1t6w h ASP 71 N -0.47 0.00 1.48 7.04 3.58 -2.01 0.54 116.42 126.57 1t6w h ASP 71 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1t6w h ASP 71 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1t6w h ASP 71 CO -0.37 0.00 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.17 1t6w h ASP 72 N 0.00 0.00 -3.16 2.28 3.58 -1.11 -3.44 116.42 114.56 1t6w h ASP 72 Ca 0.08 -0.01 -0.58 0.00 0.42 0.00 0.00 57.03 56.94 1t6w h ASP 72 Cb 0.80 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.78 1t6w h ASP 72 CO -0.00 0.01 0.66 -0.55 -2.88 0.00 0.00 179.24 176.48 1t6w s SER 73 N -4.66 7.04 0.00 2.28 0.15 0.19 -4.86 113.70 113.84 1t6w s SER 73 Ca 0.10 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1t6w s SER 73 Cb 0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1t6w s SER 73 CO 0.61 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1t6w n GLY 74 N 3.42 -0.51 3.34 9.45 0.00 -0.30 -4.99 105.19 115.59 1t6w n GLY 74 Ca 0.09 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.00 2.79 -0.13 2.61 2.01 -1.26 0.25 115.64 117.91 1t6w s THR 75 Ca 0.00 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1t6w s THR 75 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1t6w s THR 75 CO 0.00 0.54 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.13 1t6w s TYR 76 N 0.28 3.06 -0.17 4.92 1.51 0.08 -4.39 117.35 122.65 1t6w s TYR 76 Ca -0.12 -0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1t6w s TYR 76 Cb -0.16 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1t6w s TYR 76 CO 0.06 0.13 -0.12 -0.80 -1.11 0.00 0.00 175.55 173.71 1t6w s ASN 77 N -0.04 3.86 -0.14 2.29 0.01 0.60 -0.65 114.94 120.87 1t6w s ASN 77 Ca 0.02 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1t6w s ASN 77 Cb -0.13 -1.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.88 1t6w s ASN 77 CO 0.02 0.07 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.99 1t6w s VAL 78 N 0.94 4.26 -0.42 1.60 1.01 0.10 -1.19 120.40 126.69 1t6w s VAL 78 Ca -0.02 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1t6w s VAL 78 Cb -0.15 -2.85 0.12 0.00 0.00 0.00 0.00 36.38 33.50 1t6w s VAL 78 CO -0.01 0.53 0.16 -0.89 0.00 0.00 0.00 175.10 174.89 1t6w s THR 79 N -0.08 2.64 -0.12 3.92 2.01 -0.50 -1.22 115.64 122.28 1t6w s THR 79 Ca 0.04 -2.64 -0.23 0.00 0.31 0.00 0.00 61.69 59.17 1t6w s THR 79 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1t6w s THR 79 CO 0.02 -0.69 0.71 -0.69 -0.69 0.00 0.00 174.62 173.28 1t6w s VAL 80 N 0.51 5.00 0.13 3.82 1.01 0.32 -2.15 120.40 129.04 1t6w s VAL 80 Ca 0.13 1.42 0.07 0.00 0.00 0.00 0.00 61.98 63.60 1t6w s VAL 80 Cb -0.22 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1t6w s VAL 80 CO -0.05 0.16 -0.08 -0.31 0.00 0.00 0.00 175.10 174.82 1t6w s TYR 81 N 1.39 2.74 0.71 5.22 1.51 0.95 0.18 117.35 130.05 1t6w s TYR 81 Ca 0.35 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 1t6w s TYR 81 Cb -0.17 -1.40 0.13 0.00 -0.11 0.00 0.00 41.96 40.41 1t6w s TYR 81 CO 0.15 0.46 0.98 -1.54 -1.11 0.00 0.00 175.55 174.48 1t6w s SER 82 N -2.42 4.37 0.49 2.29 1.04 -0.74 -1.57 113.70 117.17 1t6w s SER 82 Ca 0.23 -0.52 0.27 0.00 0.48 0.00 0.00 55.95 56.42 1t6w s SER 82 Cb -0.10 0.17 1.23 0.00 0.10 0.00 0.00 66.02 67.42 1t6w s SER 82 CO 0.15 -1.85 1.96 0.71 0.98 0.00 0.00 173.24 175.18 1t6w h THR 83 N -0.46 0.46 0.00 2.02 1.35 -1.82 -2.28 112.91 112.17 1t6w h THR 83 Ca -0.34 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1t6w h THR 83 Cb 1.27 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1t6w h THR 83 CO 0.39 0.15 0.00 0.59 -0.25 0.00 0.00 175.52 176.39 1t6w n ASN 84 N -3.42 0.00 0.00 5.36 4.13 -1.26 -4.87 115.26 115.20 1t6w n ASN 84 Ca -0.01 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1t6w n ASN 84 Cb 0.33 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 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 0.75 0.61 0.23 7.41 0.00 -0.86 -5.07 105.19 108.26 1t6w n GLY 85 Ca 0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1t6w n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 86 N -3.05 0.00 -3.68 2.61 -1.04 -1.26 -4.91 114.28 102.95 1t6w n THR 86 Ca 0.00 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.05 61.49 1t6w n THR 86 Cb 0.18 -0.34 -0.12 0.00 -1.82 0.00 0.00 70.33 68.23 1t6w n THR 86 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1t6w s ARG 87 N -2.13 3.29 -0.12 -2.82 3.52 -1.26 -1.80 118.95 117.63 1t6w s ARG 87 Ca 0.01 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.63 1t6w s ARG 87 Cb -0.00 -3.51 -0.21 0.00 -1.56 0.00 0.00 34.95 29.66 1t6w s ARG 87 CO 0.01 -0.41 0.70 0.82 -0.81 0.00 0.00 175.30 175.61 1t6w h ILE 88 N 5.70 1.46 -2.67 4.11 2.04 0.16 -3.47 117.51 124.85 1t6w h ILE 88 Ca -0.32 -2.01 -0.11 0.00 1.00 0.00 0.00 64.86 63.41 1t6w h ILE 88 Cb 1.14 2.73 -0.25 0.00 -0.74 0.00 0.00 36.82 39.70 1t6w h ILE 88 CO 0.61 0.48 -0.24 -0.22 0.00 0.00 0.00 178.15 178.78 1t6w s LEU 89 N -8.38 0.19 -0.30 1.44 0.20 -1.02 -5.00 118.68 105.81 1t6w s LEU 89 Ca -0.16 0.88 0.02 0.00 0.69 0.00 0.00 54.13 55.56 1t6w s LEU 89 Cb -0.02 1.43 0.07 0.00 -0.43 0.00 0.00 46.19 47.24 1t6w s LEU 89 CO 0.58 -0.17 -0.03 0.21 -0.29 0.00 0.00 176.35 176.66 1t6w s ASN 90 N 0.67 4.67 0.23 3.68 3.04 -1.26 -0.52 114.94 125.45 1t6w s ASN 90 Ca -0.04 -1.59 0.10 0.00 0.04 0.00 0.00 52.86 51.37 1t6w s ASN 90 Cb -0.05 -1.62 -0.04 0.00 -1.54 0.00 0.00 41.25 37.99 1t6w s ASN 90 CO -0.05 -0.27 -0.13 -0.54 -3.04 0.00 0.00 177.10 173.07 1t6w s LYS 91 N 1.09 1.92 -0.05 0.43 -0.14 -0.35 -4.95 119.74 117.68 1t6w s LYS 91 Ca -0.02 -1.47 -0.01 0.00 -1.36 0.00 0.00 55.97 53.10 1t6w s LYS 91 Cb -0.20 -2.01 0.03 0.00 -1.68 0.00 0.00 37.83 33.97 1t6w s LYS 91 CO -0.05 0.39 0.03 0.00 -0.76 0.00 0.00 175.35 174.96 1t6w s ALA 92 N -2.03 0.39 0.27 5.17 0.00 -1.26 0.03 121.76 124.33 1t6w s ALA 92 Ca 0.27 0.09 0.11 0.00 0.00 0.00 0.00 51.96 52.43 1t6w s ALA 92 Cb -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1t6w s ALA 92 CO 0.15 -0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 174.88 1t6w s LEU 93 N 1.82 2.75 -0.33 0.00 1.02 0.17 -3.42 118.68 120.69 1t6w s LEU 93 Ca 0.01 -0.90 -0.07 0.00 0.02 0.00 0.00 54.13 53.19 1t6w s LEU 93 Cb -0.12 -1.28 0.03 0.00 0.02 0.00 0.00 46.19 44.84 1t6w s LEU 93 CO -0.03 0.04 0.10 -1.81 0.02 0.00 0.00 176.35 174.67 1t6w s ASP 94 N -3.47 5.30 -0.51 2.29 1.11 0.32 -0.74 116.67 120.96 1t6w s ASP 94 Ca 0.30 -1.07 -0.14 0.00 0.18 0.00 0.00 52.55 51.82 1t6w s ASP 94 Cb -0.06 -1.88 0.12 0.00 1.07 0.00 0.00 42.92 42.18 1t6w s ASP 94 CO 0.16 -0.31 0.45 -0.22 1.18 0.00 0.00 175.17 176.43 1t6w s LEU 95 N 1.42 6.01 -0.23 1.23 0.20 0.14 0.10 118.68 127.56 1t6w s LEU 95 Ca -0.01 -1.81 -0.15 0.00 0.69 0.00 0.00 54.13 52.85 1t6w s LEU 95 Cb -0.19 -2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 43.39 1t6w s LEU 95 CO 0.03 -0.80 0.37 -0.13 -0.29 0.00 0.00 176.35 175.54 1t6w s ARG 96 N 1.52 4.11 -0.27 1.98 1.81 -0.34 -1.15 118.95 126.61 1t6w s ARG 96 Ca 0.04 0.12 -0.07 0.00 -1.72 0.00 0.00 55.73 54.10 1t6w s ARG 96 Cb -0.29 -3.58 -0.01 0.00 -0.45 0.00 0.00 34.95 30.63 1t6w s ARG 96 CO 0.02 -0.12 0.06 0.42 -0.68 0.00 0.00 175.30 175.01 1t6w s ILE 97 N 1.56 4.04 -0.09 1.52 -1.09 -1.26 -1.09 121.20 124.79 1t6w s ILE 97 Ca 0.17 -0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 57.83 1t6w s ILE 97 Cb -0.15 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1t6w s ILE 97 CO 0.08 0.22 1.24 -0.76 -1.23 0.00 0.00 174.94 174.49 1t6w s LEU 98 N 1.55 4.25 0.00 2.97 1.43 0.10 -4.79 118.68 124.18 1t6w s LEU 98 Ca 0.05 1.80 0.28 0.00 -1.03 0.00 0.00 54.13 55.22 1t6w s LEU 98 Cb -0.16 -3.55 1.01 0.00 0.03 0.00 0.00 46.19 43.51 1t6w s LEU 98 CO 0.02 -0.66 1.72 -0.62 0.23 0.00 0.00 176.35 177.05