#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w s ASP 2 N 0.00 5.17 -0.02 6.15 -1.08 -1.26 -4.92 116.67 120.71 1t6w s ASP 2 Ca 0.00 -0.24 -0.02 0.00 -0.52 0.00 0.00 52.55 51.76 1t6w s ASP 2 Cb 0.00 -1.25 0.01 0.00 -1.46 0.00 0.00 42.92 40.22 1t6w s ASP 2 CO 0.00 0.09 0.05 -1.20 0.52 0.00 0.00 175.17 174.63 1t6w n SER 3 N -0.16 -7.72 -4.85 -0.34 7.64 -1.26 -5.03 113.62 101.89 1t6w n SER 3 Ca -0.09 1.75 -0.22 0.00 1.01 0.00 0.00 58.87 61.33 1t6w n SER 3 Cb 0.55 -5.19 -0.04 0.00 -1.01 0.00 0.00 64.21 58.52 1t6w n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1t6w s GLY 4 N -0.61 1.44 0.05 0.23 0.00 -1.20 -4.98 107.32 102.25 1t6w s GLY 4 Ca -0.06 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1t6w s GLY 4 CO 0.15 -1.45 -0.06 -1.59 0.00 0.00 0.00 173.10 170.16 1t6w s THR 5 N -2.14 0.43 0.03 0.90 2.01 -1.26 0.11 115.64 115.72 1t6w s THR 5 Ca 0.35 -1.38 -0.10 0.00 0.31 0.00 0.00 61.69 60.87 1t6w s THR 5 Cb -0.08 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1t6w s THR 5 CO 0.26 -0.63 0.20 0.54 -0.69 0.00 0.00 174.62 174.29 1t6w s VAL 6 N -2.38 0.10 -0.04 3.82 0.11 0.14 -4.85 120.40 117.29 1t6w s VAL 6 Ca -0.03 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 1t6w s VAL 6 Cb -0.03 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1t6w s VAL 6 CO -0.03 -0.45 -0.23 0.26 -3.33 0.00 0.00 175.10 171.33 1t6w s TRP 7 N -2.20 2.19 0.36 1.54 0.52 -1.25 -1.13 118.94 118.96 1t6w s TRP 7 Ca -0.08 -0.59 -0.06 0.00 0.02 0.00 0.00 56.10 55.39 1t6w s TRP 7 Cb -0.03 -1.44 0.02 0.00 -1.15 0.00 0.00 33.47 30.88 1t6w s TRP 7 CO -0.02 -0.16 0.57 0.20 0.02 0.00 0.00 176.95 177.55 1t6w s GLY 8 N -0.21 1.18 -0.05 0.98 0.00 0.16 -4.98 107.32 104.42 1t6w s GLY 8 Ca -0.01 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.44 1t6w s GLY 8 CO 0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 173.10 172.18 1t6w s ALA 9 N -2.83 1.32 0.23 3.20 0.00 -1.26 0.22 121.76 122.63 1t6w s ALA 9 Ca 0.26 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 1t6w s ALA 9 Cb -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 23.12 22.48 1t6w s ALA 9 CO 0.18 0.20 1.35 -0.11 0.00 0.00 0.00 175.76 177.38 1t6w n LEU 10 N 3.37 2.80 0.00 0.00 7.94 -0.58 -0.98 117.00 129.56 1t6w n LEU 10 Ca -0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1t6w n LEU 10 Cb 0.53 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1t6w n LEU 10 CO 0.25 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.49 1t6w n GLY 11 N 2.09 1.71 3.86 -3.96 0.00 -0.17 -4.82 105.19 103.90 1t6w n GLY 11 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.47 2.78 0.00 1.61 5.65 -0.15 -4.51 115.29 118.21 1t6w s HIS 12 Ca 0.00 -0.42 0.00 0.00 0.25 0.00 0.00 55.06 54.89 1t6w s HIS 12 Cb 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 32.58 29.38 1t6w s HIS 12 CO 0.00 0.00 0.00 0.41 -0.65 0.00 0.00 174.74 174.50 1t6w n GLY 13 N -1.47 -2.15 0.00 1.59 0.00 -1.26 -1.20 105.19 100.70 1t6w n GLY 13 Ca 0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.32 0.00 -5.07 -0.61 0.13 -1.24 -4.69 119.36 105.56 1t6w n ILE 14 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.33 1t6w n ILE 14 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.64 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 3.41 -0.57 9.51 2.15 -1.26 -1.52 116.67 128.38 1t6w s ASP 15 Ca 0.00 -0.48 -0.21 0.00 0.43 0.00 0.00 52.55 52.29 1t6w s ASP 15 Cb 0.00 -1.47 0.07 0.00 -0.30 0.00 0.00 42.92 41.22 1t6w s ASP 15 CO 0.00 0.16 0.78 -0.76 -0.17 0.00 0.00 175.17 175.18 1t6w s LEU 16 N 0.33 4.78 -0.19 -1.34 1.02 -0.70 -4.96 118.68 117.61 1t6w s LEU 16 Ca -0.16 -0.95 -0.21 0.00 0.02 0.00 0.00 54.13 52.83 1t6w s LEU 16 Cb -0.17 -2.48 -0.02 0.00 0.02 0.00 0.00 46.19 43.54 1t6w s LEU 16 CO 0.08 -1.13 0.65 -1.81 0.02 0.00 0.00 176.35 174.16 1t6w s ASP 17 N 3.17 6.71 -0.22 2.29 1.01 -1.26 -3.36 116.67 125.01 1t6w s ASP 17 Ca 0.19 0.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.02 1t6w s ASP 17 Cb -0.19 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1t6w s ASP 17 CO 0.11 -0.28 1.08 -0.63 0.21 0.00 0.00 175.17 175.66 1t6w s ILE 18 N 1.93 4.61 0.23 0.77 1.01 -1.26 -5.00 121.20 123.49 1t6w s ILE 18 Ca 0.30 1.95 -0.32 0.00 0.00 0.00 0.00 60.65 62.58 1t6w s ILE 18 Cb -0.16 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.93 1t6w s ILE 18 CO 0.11 -0.18 1.71 -2.84 0.00 0.00 0.00 174.94 173.73 1t6w s PRO 19 N 3.26 4.12 -1.00 2.79 0.02 -1.26 -3.56 135.00 139.36 1t6w s PRO 19 Ca 0.46 2.62 -0.15 0.00 0.02 0.00 0.00 61.00 63.94 1t6w s PRO 19 Cb -0.16 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1t6w s PRO 19 CO 0.08 -0.74 0.67 -1.71 -0.33 0.00 0.00 177.00 174.96 1t6w n ASN 20 N 3.62 -4.92 -3.94 2.53 4.05 -1.26 -5.00 115.26 110.35 1t6w n ASN 20 Ca 0.14 -1.02 -0.10 0.00 0.45 0.00 0.00 54.58 54.06 1t6w n ASN 20 Cb 0.35 -2.21 -0.10 0.00 1.23 0.00 0.00 39.78 39.05 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1t6w s PHE 21 N -3.24 0.19 -0.07 1.20 5.36 -1.23 -5.06 117.98 115.12 1t6w s PHE 21 Ca 0.24 -0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1t6w s PHE 21 Cb -0.12 -0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.45 1t6w s PHE 21 CO 0.91 -0.25 0.06 -0.65 -1.46 0.00 0.00 175.22 173.83 1t6w s GLN 22 N -1.66 0.03 -1.30 10.12 -0.21 -1.26 -5.01 119.66 120.38 1t6w s GLN 22 Ca -0.14 0.24 -0.16 0.00 0.02 0.00 0.00 55.36 55.33 1t6w s GLN 22 Cb -0.08 -0.86 0.10 0.00 1.00 0.00 0.00 33.01 33.17 1t6w s GLN 22 CO -0.01 -0.40 1.73 -0.12 -2.12 0.00 0.00 175.29 174.37 1t6w n MET 23 N 5.28 3.22 -2.38 2.91 0.00 -1.26 -4.73 117.12 120.15 1t6w n MET 23 Ca -0.04 -3.35 -0.09 0.00 -0.00 0.00 0.00 57.70 54.22 1t6w n MET 23 Cb 0.50 -3.34 -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 5.67 0.00 0.12 1.12 -2.24 -1.26 -4.78 114.28 112.91 1t6w n THR 24 Ca 0.46 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1t6w n THR 24 Cb 0.44 -0.22 0.63 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.25 0.07 0.09 3.42 5.19 -2.03 -0.13 116.42 123.29 1t6w h ASP 25 Ca -0.11 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1t6w h ASP 25 Cb 0.40 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 1t6w h ASP 25 CO 0.18 0.05 -0.06 0.44 -3.12 0.00 0.00 179.24 176.73 1t6w h ASP 26 N 0.08 0.00 -3.35 6.45 5.19 -1.94 -3.41 116.42 119.43 1t6w h ASP 26 Ca 0.12 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.97 1t6w h ASP 26 Cb 0.38 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 1t6w h ASP 26 CO -0.01 0.06 0.26 -0.63 -3.12 0.00 0.00 179.24 175.80 1t6w s ILE 27 N -4.71 4.95 -0.11 0.35 -1.09 -0.06 -2.76 121.20 117.76 1t6w s ILE 27 Ca -0.04 1.64 -0.02 0.00 -2.23 0.00 0.00 60.65 60.00 1t6w s ILE 27 Cb 0.16 -4.14 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1t6w s ILE 27 CO 0.62 0.15 -0.12 -0.67 -1.23 0.00 0.00 174.94 173.69 1t6w n ASP 28 N 4.35 2.20 -4.05 3.58 2.03 -0.15 -4.82 116.55 119.70 1t6w n ASP 28 Ca 0.02 0.02 -0.30 0.00 0.52 0.00 0.00 54.79 55.05 1t6w n ASP 28 Cb 0.50 -0.24 -0.16 0.00 -0.72 0.00 0.00 41.12 40.50 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 -2.22 2.43 -0.22 -0.67 2.56 -1.05 -2.63 118.70 116.90 1t6w s GLU 29 Ca -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 54.97 54.22 1t6w s GLU 29 Cb 0.05 -2.16 0.04 0.00 2.00 0.00 0.00 34.13 34.06 1t6w s GLU 29 CO 0.23 -0.19 -0.14 0.08 -0.56 0.00 0.00 175.26 174.69 1t6w s VAL 30 N 1.33 2.03 -0.12 3.70 1.01 -0.83 -0.53 120.40 127.00 1t6w s VAL 30 Ca 0.02 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 1t6w s VAL 30 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1t6w s VAL 30 CO -0.09 0.20 -0.11 -0.13 0.00 0.00 0.00 175.10 174.97 1t6w s ARG 31 N 1.22 3.25 -0.67 2.72 0.52 -1.03 0.73 118.95 125.69 1t6w s ARG 31 Ca -0.03 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1t6w s ARG 31 Cb -0.17 -2.64 0.17 0.00 0.52 0.00 0.00 34.95 32.83 1t6w s ARG 31 CO -0.08 0.32 0.49 -1.58 0.02 0.00 0.00 175.30 174.47 1t6w s TRP 32 N 0.08 3.48 0.03 -0.53 0.52 0.41 -1.71 118.94 121.23 1t6w s TRP 32 Ca -0.04 -2.86 -0.00 0.00 0.02 0.00 0.00 56.10 53.21 1t6w s TRP 32 Cb -0.14 -3.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 1t6w s TRP 32 CO 0.04 -0.79 0.16 -1.21 0.02 0.00 0.00 176.95 175.17 1t6w s GLU 33 N -0.43 3.28 -0.09 4.98 2.02 -0.41 -1.63 118.70 126.42 1t6w s GLU 33 Ca 0.19 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 1t6w s GLU 33 Cb -0.17 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.13 1t6w s GLU 33 CO -0.05 0.63 0.06 0.50 0.02 0.00 0.00 175.26 176.41 1t6w s ARG 34 N -2.19 0.07 6.60 1.61 3.52 -0.78 -0.99 118.95 126.78 1t6w s ARG 34 Ca 0.30 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1t6w s ARG 34 Cb -0.13 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 1t6w s ARG 34 CO 0.22 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1t6w n GLY 35 N 5.27 3.21 2.24 8.12 0.00 -1.26 -1.53 105.19 121.24 1t6w n GLY 35 Ca -0.05 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t6w n SER 36 N 9.33 5.21 -3.69 1.61 2.88 -1.26 -5.02 113.62 122.68 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 -1.33 0.00 0.00 58.87 53.69 1t6w n SER 36 Cb 0.00 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1t6w s THR 37 N -4.96 0.08 0.00 2.46 2.01 -0.58 -5.17 115.64 109.49 1t6w s THR 37 Ca 0.51 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1t6w s THR 37 Cb 0.42 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1t6w s THR 37 CO -0.06 -0.37 0.15 -0.76 -0.69 0.00 0.00 174.62 172.88 1t6w s LEU 38 N -2.82 4.19 -0.02 4.42 1.43 -1.26 -1.88 118.68 122.74 1t6w s LEU 38 Ca 0.04 0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1t6w s LEU 38 Cb 0.02 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 1t6w s LEU 38 CO -0.11 0.25 -0.02 0.52 0.23 0.00 0.00 176.35 177.22 1t6w n VAL 39 N 0.93 0.11 -3.16 -1.59 0.31 -0.65 -4.58 118.33 109.71 1t6w n VAL 39 Ca -0.11 -0.04 0.05 0.00 -0.01 0.00 0.00 64.34 64.23 1t6w n VAL 39 Cb 0.52 -0.86 -0.01 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 -2.83 -0.17 3.52 0.00 -1.15 -1.38 121.76 117.70 1t6w s ALA 40 Ca -0.03 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.60 1t6w s ALA 40 Cb 0.01 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.82 1t6w s ALA 40 CO 0.04 -1.39 -0.20 -1.21 0.00 0.00 0.00 175.76 173.01 1t6w s GLU 41 N 2.90 3.03 0.01 0.00 2.02 -0.99 -0.44 118.70 125.23 1t6w s GLU 41 Ca 0.10 -0.82 -0.00 0.00 0.02 0.00 0.00 54.97 54.26 1t6w s GLU 41 Cb -0.13 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1t6w s GLU 41 CO -0.16 -0.14 0.11 0.12 0.02 0.00 0.00 175.26 175.21 1t6w s PHE 42 N 1.13 3.34 -0.22 1.61 2.19 0.22 -0.71 117.98 125.55 1t6w s PHE 42 Ca 0.01 0.22 -0.06 0.00 0.33 0.00 0.00 56.93 57.43 1t6w s PHE 42 Cb -0.14 -1.74 0.11 0.00 -1.31 0.00 0.00 43.02 39.94 1t6w s PHE 42 CO -0.09 0.57 0.44 0.21 1.83 0.00 0.00 175.22 178.18 1t6w s LYS 43 N -1.94 0.36 0.10 10.12 2.20 -1.26 -1.96 119.74 127.36 1t6w s LYS 43 Ca 0.26 0.99 -0.31 0.00 -0.36 0.00 0.00 55.97 56.55 1t6w s LYS 43 Cb -0.12 0.26 -0.13 0.00 -1.51 0.00 0.00 37.83 36.33 1t6w s LYS 43 CO 0.17 -0.33 1.61 -0.09 -0.36 0.00 0.00 175.35 176.35 1t6w h ARG 44 N 8.15 -0.69 -1.96 4.03 2.43 -1.88 -2.52 114.38 121.95 1t6w h ARG 44 Ca -0.17 0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.86 1t6w h ARG 44 Cb 1.12 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 1t6w h ARG 44 CO 0.15 -0.46 -0.11 1.63 -1.51 0.00 0.00 179.97 179.67 1t6w n LYS 45 N -5.46 1.75 -3.19 0.20 5.02 -1.26 -4.82 118.16 110.40 1t6w n LYS 45 Ca -0.09 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1t6w n LYS 45 Cb 0.36 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.83 -1.67 -4.17 1.97 2.81 -0.95 -5.16 117.12 111.78 1t6w n MET 46 Ca 0.31 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.85 1t6w n MET 46 Cb 0.73 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.16 1t6w n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t6w s LYS 47 N -0.77 3.09 0.61 0.03 1.02 -1.26 -4.64 119.74 117.82 1t6w s LYS 47 Ca 0.00 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.44 1t6w s LYS 47 Cb 0.00 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1t6w s LYS 47 CO 0.00 0.69 1.06 -1.25 -0.92 0.00 0.00 175.35 174.93 1t6w s PRO 48 N -1.28 3.26 -0.40 -1.68 0.04 -1.26 -4.66 135.00 129.02 1t6w s PRO 48 Ca 0.18 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1t6w s PRO 48 Cb -0.12 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.50 1t6w s PRO 48 CO 0.08 -0.86 0.19 0.12 0.04 0.00 0.00 177.00 176.57 1t6w s PHE 49 N -2.50 3.57 -0.41 0.56 5.36 0.11 -4.96 117.98 119.71 1t6w s PHE 49 Ca 0.63 -2.38 -0.19 0.00 -0.96 0.00 0.00 56.93 54.04 1t6w s PHE 49 Cb -0.16 -3.15 0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1t6w s PHE 49 CO 0.39 -0.96 0.54 -0.51 -1.46 0.00 0.00 175.22 173.21 1t6w s LEU 50 N 1.15 4.60 0.40 6.12 1.43 -1.26 -2.35 118.68 128.77 1t6w s LEU 50 Ca 0.07 -0.39 0.22 0.00 -1.03 0.00 0.00 54.13 53.00 1t6w s LEU 50 Cb -0.23 -2.57 1.21 0.00 0.03 0.00 0.00 46.19 44.64 1t6w s LEU 50 CO -0.04 -0.64 1.70 0.50 0.23 0.00 0.00 176.35 178.11 1t6w h LYS 51 N 8.73 0.27 -1.13 1.70 3.64 -1.47 -3.44 116.57 124.86 1t6w h LYS 51 Ca -0.26 -0.02 0.34 0.00 -1.27 0.00 0.00 60.65 59.44 1t6w h LYS 51 Cb 1.11 -0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.69 1t6w h LYS 51 CO 0.83 0.18 0.95 -1.54 -2.27 0.00 0.00 179.45 177.60 1t6w s SER 52 N -4.94 -0.03 0.01 4.20 1.04 -1.26 -4.99 113.70 107.73 1t6w s SER 52 Ca -0.09 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1t6w s SER 52 Cb 0.28 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1t6w s SER 52 CO 0.80 -0.07 0.97 0.61 0.98 0.00 0.00 173.24 176.53 1t6w n GLY 53 N -0.23 -0.46 0.00 7.32 0.00 -1.26 -1.69 105.19 108.88 1t6w n GLY 53 Ca -0.02 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.45 2.39 -2.40 4.61 0.00 -1.26 -4.77 120.51 117.63 1t6w n ALA 54 Ca -0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1t6w n ALA 54 Cb 0.06 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 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 1.17 -0.21 0.00 0.08 -0.68 -0.34 117.98 116.00 1t6w s PHE 55 Ca 0.27 -0.68 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 1t6w s PHE 55 Cb 0.13 -0.62 0.10 0.00 -0.57 0.00 0.00 43.02 42.06 1t6w s PHE 55 CO 0.21 0.04 0.39 -2.00 -0.10 0.00 0.00 175.22 173.77 1t6w s GLU 56 N -3.12 0.32 -0.69 0.44 2.56 -0.08 -4.92 118.70 113.21 1t6w s GLU 56 Ca 0.10 0.83 -0.26 0.00 0.00 0.00 0.00 54.97 55.64 1t6w s GLU 56 Cb -0.01 0.02 -0.00 0.00 2.00 0.00 0.00 34.13 36.13 1t6w s GLU 56 CO 0.00 -0.40 1.63 -1.50 -0.56 0.00 0.00 175.26 174.44 1t6w s ILE 57 N 2.58 3.51 1.04 -3.70 2.07 -1.26 -0.62 121.20 124.82 1t6w s ILE 57 Ca 0.04 0.22 -0.18 0.00 -1.41 0.00 0.00 60.65 59.32 1t6w s ILE 57 Cb -0.13 -4.35 0.01 0.00 0.13 0.00 0.00 42.46 38.12 1t6w s ILE 57 CO -0.14 -1.30 -0.18 0.18 -1.91 0.00 0.00 174.94 171.59 1t6w n LEU 58 N 11.41 -2.19 0.25 8.50 4.32 0.08 -4.80 117.00 134.58 1t6w n LEU 58 Ca 0.15 0.06 0.13 0.00 -0.02 0.00 0.00 56.01 56.33 1t6w n LEU 58 Cb 0.51 -0.95 0.66 0.00 -1.62 0.00 0.00 43.42 42.02 1t6w n LEU 58 CO 0.70 -3.49 0.93 0.00 -1.22 0.00 0.00 177.39 174.31 1t6w h ALA 59 N -1.65 1.14 -0.81 -1.18 0.00 -1.93 -2.74 119.26 112.08 1t6w h ALA 59 Ca -0.48 -0.12 -0.46 0.00 0.00 0.00 0.00 54.91 53.85 1t6w h ALA 59 Cb 1.34 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.86 1t6w h ALA 59 CO 0.33 0.17 0.59 0.27 0.00 0.00 0.00 179.25 180.61 1t6w n ASN 60 N -3.46 4.75 -3.01 0.00 0.23 -1.26 -4.79 115.26 107.72 1t6w n ASN 60 Ca -0.01 -3.37 -0.22 0.00 -0.53 0.00 0.00 54.58 50.44 1t6w n ASN 60 Cb 0.30 -0.85 0.03 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 -0.72 -0.52 3.93 4.83 0.00 -1.03 -4.29 105.19 107.40 1t6w n GLY 61 Ca 0.49 0.11 -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 -2.64 5.23 -0.20 1.61 2.15 -1.25 -4.84 116.67 116.72 1t6w s ASP 62 Ca 0.29 -0.68 -0.03 0.00 0.43 0.00 0.00 52.55 52.56 1t6w s ASP 62 Cb -0.13 -0.47 -0.01 0.00 -0.30 0.00 0.00 42.92 42.00 1t6w s ASP 62 CO 0.36 -0.77 -0.07 -0.22 -0.17 0.00 0.00 175.17 174.30 1t6w s LEU 63 N -4.25 2.82 -0.35 -1.34 2.96 -1.21 -0.74 118.68 116.56 1t6w s LEU 63 Ca 0.51 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1t6w s LEU 63 Cb -0.05 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.98 1t6w s LEU 63 CO 0.30 0.03 0.14 -0.75 -1.32 0.00 0.00 176.35 174.74 1t6w s LYS 64 N 1.20 2.60 0.13 1.98 2.20 0.21 -1.72 119.74 126.33 1t6w s LYS 64 Ca 0.02 -1.24 -0.21 0.00 -0.36 0.00 0.00 55.97 54.18 1t6w s LYS 64 Cb -0.14 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1t6w s LYS 64 CO -0.02 -0.72 0.66 0.42 -0.36 0.00 0.00 175.35 175.32 1t6w s ILE 65 N 1.40 4.60 -0.18 5.43 1.01 -0.58 -0.90 121.20 131.99 1t6w s ILE 65 Ca -0.00 1.35 -0.23 0.00 0.00 0.00 0.00 60.65 61.77 1t6w s ILE 65 Cb -0.20 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.11 1t6w s ILE 65 CO 0.03 0.47 0.40 0.50 0.00 0.00 0.00 174.94 176.34 1t6w h LYS 66 N 4.24 0.00 -2.91 2.79 3.64 -1.01 -3.29 116.57 120.03 1t6w h LYS 66 Ca -0.48 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.49 1t6w h LYS 66 Cb 1.21 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.64 1t6w h LYS 66 CO 0.65 0.91 -0.71 1.21 -2.27 0.00 0.00 179.45 179.24 1t6w s ASN 67 N -6.51 1.94 0.54 4.20 2.47 -1.26 -4.01 114.94 112.31 1t6w s ASN 67 Ca -0.23 -0.43 -0.20 0.00 0.42 0.00 0.00 52.86 52.41 1t6w s ASN 67 Cb 0.02 -0.03 -0.07 0.00 -1.45 0.00 0.00 41.25 39.72 1t6w s ASN 67 CO 0.59 -0.33 0.94 0.18 -3.72 0.00 0.00 177.10 174.76 1t6w n LEU 68 N 5.29 3.06 -3.71 3.21 4.77 -0.34 -4.61 117.00 124.68 1t6w n LEU 68 Ca -0.06 0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 56.70 1t6w n LEU 68 Cb 0.49 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1t6w n LEU 68 CO 0.09 -1.82 0.13 0.42 -1.33 0.00 0.00 177.39 174.88 1t6w s THR 69 N -1.45 0.07 0.14 -5.08 -4.23 -1.26 -1.00 115.64 102.82 1t6w s THR 69 Ca 0.70 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 60.19 1t6w s THR 69 Cb -0.46 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1t6w s THR 69 CO 0.51 -0.32 1.59 0.03 -0.54 0.00 0.00 174.62 175.90 1t6w h ARG 70 N 2.39 -0.42 -0.01 3.99 2.47 -1.95 0.17 114.38 121.03 1t6w h ARG 70 Ca -0.33 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1t6w h ARG 70 Cb 1.25 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1t6w h ARG 70 CO 0.46 -0.28 0.12 0.38 0.56 0.00 0.00 179.97 181.21 1t6w h ASP 71 N -0.44 0.00 1.24 7.04 2.03 -2.01 0.15 116.42 124.43 1t6w h ASP 71 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1t6w h ASP 71 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1t6w h ASP 71 CO -0.39 0.00 -0.34 -0.78 -1.03 0.00 0.00 179.24 176.70 1t6w h ASP 72 N 0.00 0.00 -3.46 4.15 1.82 -1.08 -3.45 116.42 114.40 1t6w h ASP 72 Ca 0.00 -0.09 -0.54 0.00 -0.39 0.00 0.00 57.03 56.01 1t6w h ASP 72 Cb 0.25 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 1t6w h ASP 72 CO -0.00 0.05 0.25 -0.55 -1.61 0.00 0.00 179.24 177.37 1t6w s SER 73 N -4.64 7.30 0.00 2.28 0.15 0.53 -4.92 113.70 114.40 1t6w s SER 73 Ca 0.08 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1t6w s SER 73 Cb 0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1t6w s SER 73 CO 0.67 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1t6w n GLY 74 N 2.50 -0.07 3.69 9.45 0.00 -0.25 -5.01 105.19 115.50 1t6w n GLY 74 Ca 0.01 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.65 5.06 -0.18 2.61 2.01 -1.26 0.13 115.64 121.36 1t6w s THR 75 Ca 0.00 1.20 -0.06 0.00 0.31 0.00 0.00 61.69 63.15 1t6w s THR 75 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1t6w s THR 75 CO 0.00 0.20 0.01 -0.31 -0.69 0.00 0.00 174.62 173.83 1t6w s TYR 76 N 1.33 3.11 -0.15 4.92 1.51 0.11 -4.39 117.35 123.80 1t6w s TYR 76 Ca 0.30 -0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1t6w s TYR 76 Cb -0.16 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1t6w s TYR 76 CO 0.12 -0.03 -0.09 -0.80 -1.11 0.00 0.00 175.55 173.64 1t6w s ASN 77 N 0.58 4.32 -0.13 2.29 0.01 -0.16 -0.08 114.94 121.76 1t6w s ASN 77 Ca 0.00 -0.26 -0.01 0.00 -0.71 0.00 0.00 52.86 51.88 1t6w s ASN 77 Cb -0.14 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 1t6w s ASN 77 CO 0.02 0.15 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.98 1t6w s VAL 78 N 0.44 3.39 -0.41 1.60 1.01 0.97 -1.28 120.40 126.12 1t6w s VAL 78 Ca -0.07 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1t6w s VAL 78 Cb -0.15 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.90 1t6w s VAL 78 CO 0.04 0.52 0.17 -0.89 0.00 0.00 0.00 175.10 174.94 1t6w s THR 79 N 0.28 2.95 -0.14 3.92 2.01 -0.69 -1.18 115.64 122.79 1t6w s THR 79 Ca -0.07 -2.27 -0.18 0.00 0.31 0.00 0.00 61.69 59.48 1t6w s THR 79 Cb -0.15 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1t6w s THR 79 CO 0.04 -0.68 0.48 -0.69 -0.69 0.00 0.00 174.62 173.08 1t6w s VAL 80 N 0.91 5.18 0.15 3.82 1.01 0.14 -2.46 120.40 129.15 1t6w s VAL 80 Ca 0.10 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.10 1t6w s VAL 80 Cb -0.22 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1t6w s VAL 80 CO -0.05 0.30 -0.20 -0.31 0.00 0.00 0.00 175.10 174.83 1t6w s TYR 81 N 0.84 1.91 0.73 5.22 2.02 0.31 -0.61 117.35 127.77 1t6w s TYR 81 Ca 0.25 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1t6w s TYR 81 Cb -0.15 -0.98 0.11 0.00 -0.40 0.00 0.00 41.96 40.54 1t6w s TYR 81 CO 0.10 0.33 1.01 -1.54 -1.57 0.00 0.00 175.55 173.88 1t6w s SER 82 N -2.44 4.42 0.62 2.29 1.04 -0.18 -0.97 113.70 118.47 1t6w s SER 82 Ca 0.14 -0.03 0.37 0.00 0.48 0.00 0.00 55.95 56.91 1t6w s SER 82 Cb -0.07 -0.44 2.07 0.00 0.10 0.00 0.00 66.02 67.68 1t6w s SER 82 CO 0.06 -1.82 2.28 0.71 0.98 0.00 0.00 173.24 175.46 1t6w h THR 83 N -0.61 0.24 -0.67 2.02 1.35 -1.83 -1.08 112.91 112.33 1t6w h THR 83 Ca -0.40 -0.08 -0.27 0.00 -0.55 0.00 0.00 66.41 65.11 1t6w h THR 83 Cb 1.28 1.06 -0.16 0.00 -1.73 0.00 0.00 68.15 68.60 1t6w h THR 83 CO 0.46 0.01 0.34 -3.20 -0.25 0.00 0.00 175.52 172.88 1t6w n ASN 84 N -3.41 4.02 -2.01 5.36 2.85 -1.26 -4.88 115.26 115.93 1t6w n ASN 84 Ca -0.03 -3.09 -0.15 0.00 -0.11 0.00 0.00 54.58 51.20 1t6w n ASN 84 Cb 0.10 -0.73 -0.03 0.00 1.24 0.00 0.00 39.78 40.36 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t6w n GLY 85 N -0.34 0.34 3.92 8.20 0.00 -0.41 -4.95 105.19 111.94 1t6w n GLY 85 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.58 5.10 -0.30 2.61 2.01 -1.25 -4.84 115.64 116.38 1t6w s THR 86 Ca 0.00 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1t6w s THR 86 Cb 0.00 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1t6w s THR 86 CO 0.00 -0.31 1.15 -0.13 -0.69 0.00 0.00 174.62 174.64 1t6w s ARG 87 N -3.61 4.04 -0.01 4.92 3.00 -1.26 -1.01 118.95 125.01 1t6w s ARG 87 Ca 0.41 1.17 -0.01 0.00 0.00 0.00 0.00 55.73 57.30 1t6w s ARG 87 Cb -0.11 -3.78 -0.00 0.00 0.00 0.00 0.00 34.95 31.07 1t6w s ARG 87 CO 0.31 -0.94 -0.02 -0.89 0.00 0.00 0.00 175.30 173.76 1t6w n ILE 88 N 5.92 0.10 -3.73 1.52 5.41 0.22 -4.91 119.36 123.89 1t6w n ILE 88 Ca 0.13 0.48 -0.15 0.00 1.00 0.00 0.00 62.75 64.20 1t6w n ILE 88 Cb 0.47 -1.56 -0.15 0.00 -0.71 0.00 0.00 39.64 37.68 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1t6w s LEU 89 N -4.93 0.56 -0.32 1.39 0.20 -1.06 -5.01 118.68 109.51 1t6w s LEU 89 Ca -0.01 0.23 -0.01 0.00 0.69 0.00 0.00 54.13 55.02 1t6w s LEU 89 Cb 0.00 0.20 0.07 0.00 -0.43 0.00 0.00 46.19 46.03 1t6w s LEU 89 CO 0.02 -0.18 0.04 0.21 -0.29 0.00 0.00 176.35 176.15 1t6w s ASN 90 N 1.50 4.92 0.31 3.68 3.04 -1.26 -0.68 114.94 126.45 1t6w s ASN 90 Ca -0.05 -1.52 0.10 0.00 0.04 0.00 0.00 52.86 51.43 1t6w s ASN 90 Cb -0.12 -1.72 -0.05 0.00 -1.54 0.00 0.00 41.25 37.82 1t6w s ASN 90 CO -0.05 -0.32 -0.10 -0.54 -3.04 0.00 0.00 177.10 173.05 1t6w s LYS 91 N 1.18 1.89 -0.09 0.43 -0.14 -0.32 -4.96 119.74 117.73 1t6w s LYS 91 Ca -0.01 -1.76 -0.03 0.00 -1.36 0.00 0.00 55.97 52.80 1t6w s LYS 91 Cb -0.20 -1.84 0.05 0.00 -1.68 0.00 0.00 37.83 34.15 1t6w s LYS 91 CO -0.03 0.24 0.17 0.00 -0.76 0.00 0.00 175.35 174.97 1t6w s ALA 92 N -2.51 -0.18 0.23 5.17 0.00 -1.26 -0.02 121.76 123.19 1t6w s ALA 92 Ca 0.32 0.58 0.10 0.00 0.00 0.00 0.00 51.96 52.95 1t6w s ALA 92 Cb -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1t6w s ALA 92 CO 0.17 -0.57 -0.06 -0.51 0.00 0.00 0.00 175.76 174.78 1t6w s LEU 93 N 2.30 3.03 -0.30 0.00 1.02 0.89 -3.28 118.68 122.35 1t6w s LEU 93 Ca 0.03 -0.67 -0.08 0.00 0.02 0.00 0.00 54.13 53.44 1t6w s LEU 93 Cb -0.12 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.48 1t6w s LEU 93 CO -0.06 0.05 0.10 -1.81 0.02 0.00 0.00 176.35 174.65 1t6w s ASP 94 N -3.32 5.25 -0.58 2.29 1.11 0.30 0.07 116.67 121.78 1t6w s ASP 94 Ca 0.29 -0.64 -0.15 0.00 0.18 0.00 0.00 52.55 52.23 1t6w s ASP 94 Cb -0.07 -1.92 0.14 0.00 1.07 0.00 0.00 42.92 42.15 1t6w s ASP 94 CO 0.17 -0.19 0.52 -0.22 1.18 0.00 0.00 175.17 176.64 1t6w s LEU 95 N 1.54 6.21 -0.25 1.23 2.96 0.12 0.25 118.68 130.74 1t6w s LEU 95 Ca 0.03 -1.98 -0.10 0.00 -0.22 0.00 0.00 54.13 51.86 1t6w s LEU 95 Cb -0.17 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 1t6w s LEU 95 CO 0.04 -0.78 0.15 -0.13 -1.32 0.00 0.00 176.35 174.30 1t6w s ARG 96 N 1.29 3.97 -0.11 1.98 1.81 -0.29 -1.09 118.95 126.52 1t6w s ARG 96 Ca 0.06 -0.32 0.03 0.00 -1.72 0.00 0.00 55.73 53.78 1t6w s ARG 96 Cb -0.26 -3.52 0.01 0.00 -0.45 0.00 0.00 34.95 30.73 1t6w s ARG 96 CO 0.00 -0.02 -0.19 0.42 -0.68 0.00 0.00 175.30 174.83 1t6w s ILE 97 N 1.27 1.78 0.73 1.52 -1.09 -1.26 -0.66 121.20 123.49 1t6w s ILE 97 Ca 0.07 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.57 1t6w s ILE 97 Cb -0.14 -1.58 0.06 0.00 -1.58 0.00 0.00 42.46 39.21 1t6w s ILE 97 CO 0.06 0.50 1.07 -0.76 -1.23 0.00 0.00 174.94 174.58 1t6w s LEU 98 N 0.76 2.75 0.00 2.97 1.43 0.13 -4.79 118.68 121.94 1t6w s LEU 98 Ca -0.10 0.67 0.18 0.00 -1.03 0.00 0.00 54.13 53.84 1t6w s LEU 98 Cb -0.16 -3.29 0.14 0.00 0.03 0.00 0.00 46.19 42.91 1t6w s LEU 98 CO 0.01 -1.63 1.06 -0.62 0.23 0.00 0.00 176.35 175.40