#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 -0.25 1.25 6.15 1.11 -1.26 -5.17 116.67 118.49 1t6w s ASP 2 Ca 0.00 -0.61 -0.13 0.00 0.18 0.00 0.00 52.55 51.99 1t6w s ASP 2 Cb 0.00 0.70 0.20 0.00 1.07 0.00 0.00 42.92 44.88 1t6w s ASP 2 CO 0.00 -1.29 0.45 -1.20 1.18 0.00 0.00 175.17 174.31 1t6w n SER 3 N -0.44 -3.07 -4.18 0.27 7.64 -1.26 -5.03 113.62 107.55 1t6w n SER 3 Ca -0.05 -0.47 -0.11 0.00 1.01 0.00 0.00 58.87 59.25 1t6w n SER 3 Cb 0.60 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.61 0.85 0.04 0.23 0.00 -1.21 -5.03 107.32 99.59 1t6w s GLY 4 Ca 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1t6w s GLY 4 CO 0.29 -1.47 -0.04 -1.59 0.00 0.00 0.00 173.10 170.29 1t6w s THR 5 N -3.64 0.30 -0.16 0.90 2.01 -1.25 0.11 115.64 113.90 1t6w s THR 5 Ca 0.14 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 1t6w s THR 5 Cb 0.05 -0.92 0.05 0.00 0.01 0.00 0.00 72.50 71.69 1t6w s THR 5 CO -0.03 -0.70 0.48 0.54 -0.69 0.00 0.00 174.62 174.23 1t6w s VAL 6 N -2.55 0.01 -0.05 3.82 0.11 0.19 -4.87 120.40 117.07 1t6w s VAL 6 Ca -0.04 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.01 1t6w s VAL 6 Cb -0.02 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1t6w s VAL 6 CO -0.04 -0.02 -0.17 0.26 -3.33 0.00 0.00 175.10 171.79 1t6w s TRP 7 N 0.02 2.61 0.32 1.54 0.52 -1.26 -0.03 118.94 122.66 1t6w s TRP 7 Ca -0.02 -0.27 -0.06 0.00 0.02 0.00 0.00 56.10 55.78 1t6w s TRP 7 Cb -0.03 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.68 1t6w s TRP 7 CO 0.02 0.10 0.49 0.20 0.02 0.00 0.00 176.95 177.78 1t6w s GLY 8 N -0.63 1.20 -0.07 0.98 0.00 -0.25 -4.94 107.32 103.61 1t6w s GLY 8 Ca 0.09 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1t6w s GLY 8 CO 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 173.10 172.02 1t6w s ALA 9 N -3.20 2.36 0.15 3.20 0.00 -1.26 0.14 121.76 123.14 1t6w s ALA 9 Ca 0.28 -1.00 -0.34 0.00 0.00 0.00 0.00 51.96 50.90 1t6w s ALA 9 Cb -0.01 -0.84 -0.14 0.00 0.00 0.00 0.00 23.12 22.13 1t6w s ALA 9 CO 0.17 0.41 1.52 -0.11 0.00 0.00 0.00 175.76 177.75 1t6w n LEU 10 N 2.94 2.83 0.00 0.00 7.94 -0.55 -0.88 117.00 129.27 1t6w n LEU 10 Ca -0.18 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 1t6w n LEU 10 Cb 0.52 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1t6w n LEU 10 CO 0.26 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 1t6w n GLY 11 N 3.16 1.00 3.89 -3.96 0.00 -0.05 -4.82 105.19 104.39 1t6w n GLY 11 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.38 2.58 0.76 1.61 5.65 -0.06 -4.49 115.29 118.97 1t6w s HIS 12 Ca 0.00 -0.52 -0.07 0.00 0.25 0.00 0.00 55.06 54.72 1t6w s HIS 12 Cb 0.00 -2.16 0.11 0.00 -1.18 0.00 0.00 32.58 29.35 1t6w s HIS 12 CO 0.00 -0.20 1.07 0.20 -0.65 0.00 0.00 174.74 175.16 1t6w s GLY 13 N -4.17 1.74 0.00 1.59 0.00 -1.26 -1.08 107.32 104.15 1t6w s GLY 13 Ca 0.48 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1t6w s GLY 13 CO 0.28 -0.73 0.00 4.51 0.00 0.00 0.00 173.10 177.16 1t6w n ILE 14 N -3.07 0.00 -5.16 0.90 0.13 -1.04 -4.81 119.36 106.31 1t6w n ILE 14 Ca 0.12 0.00 -0.31 0.00 -1.10 0.00 0.00 62.75 61.46 1t6w n ILE 14 Cb 0.60 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 39.23 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 2.99 -0.55 9.51 -1.08 -1.26 -1.15 116.67 125.13 1t6w s ASP 15 Ca 0.00 -0.54 -0.21 0.00 -0.52 0.00 0.00 52.55 51.28 1t6w s ASP 15 Cb 0.00 -1.36 0.06 0.00 -1.46 0.00 0.00 42.92 40.16 1t6w s ASP 15 CO 0.00 0.15 0.76 -0.76 0.52 0.00 0.00 175.17 175.84 1t6w s LEU 16 N 0.37 4.73 -0.17 -1.34 1.02 -0.71 -4.95 118.68 117.63 1t6w s LEU 16 Ca -0.19 -0.85 -0.24 0.00 0.02 0.00 0.00 54.13 52.87 1t6w s LEU 16 Cb -0.18 -2.52 -0.02 0.00 0.02 0.00 0.00 46.19 43.49 1t6w s LEU 16 CO 0.08 -1.08 0.75 -1.81 0.02 0.00 0.00 176.35 174.32 1t6w s ASP 17 N 2.99 6.86 -0.22 2.29 1.01 -1.26 -3.25 116.67 125.09 1t6w s ASP 17 Ca 0.19 1.05 -0.29 0.00 0.71 0.00 0.00 52.55 54.22 1t6w s ASP 17 Cb -0.18 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1t6w s ASP 17 CO 0.13 -0.34 1.06 -0.63 0.21 0.00 0.00 175.17 175.60 1t6w s ILE 18 N 2.00 4.64 0.21 0.77 1.01 -1.26 -5.00 121.20 123.58 1t6w s ILE 18 Ca 0.35 1.98 -0.32 0.00 0.00 0.00 0.00 60.65 62.66 1t6w s ILE 18 Cb -0.16 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.90 1t6w s ILE 18 CO 0.12 -0.17 1.69 -2.65 0.00 0.00 0.00 174.94 173.93 1t6w n PRO 19 N 6.30 2.69 -3.84 2.79 -0.02 -1.26 -3.52 135.00 138.14 1t6w n PRO 19 Ca 0.12 0.97 -0.33 0.00 -2.02 0.00 0.00 63.50 62.24 1t6w n PRO 19 Cb 0.46 -2.80 0.01 0.00 -0.02 0.00 0.00 33.50 31.16 1t6w n PRO 19 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1t6w n ASN 20 N 3.68 -4.85 -3.95 2.55 4.05 -1.26 -4.99 115.26 110.49 1t6w n ASN 20 Ca 0.15 -1.05 -0.10 0.00 0.45 0.00 0.00 54.58 54.04 1t6w n ASN 20 Cb 0.34 -2.15 -0.11 0.00 1.23 0.00 0.00 39.78 39.09 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 -3.26 0.20 -0.10 1.20 5.36 -1.23 -5.04 117.98 115.11 1t6w s PHE 21 Ca 0.26 -0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 55.78 1t6w s PHE 21 Cb -0.13 -0.15 0.05 0.00 -0.34 0.00 0.00 43.02 42.45 1t6w s PHE 21 CO 0.91 -0.23 0.13 -0.65 -1.46 0.00 0.00 175.22 173.91 1t6w s GLN 22 N -1.56 0.02 -1.35 10.12 -0.21 -1.26 -5.01 119.66 120.41 1t6w s GLN 22 Ca -0.14 0.38 -0.17 0.00 0.02 0.00 0.00 55.36 55.45 1t6w s GLN 22 Cb -0.08 -0.66 0.06 0.00 1.00 0.00 0.00 33.01 33.32 1t6w s GLN 22 CO -0.01 -0.40 1.89 -0.12 -2.12 0.00 0.00 175.29 174.54 1t6w n MET 23 N 5.31 3.09 -1.86 2.91 0.00 -1.21 -4.76 117.12 120.60 1t6w n MET 23 Ca -0.05 -3.06 -0.06 0.00 -0.00 0.00 0.00 57.70 54.53 1t6w n MET 23 Cb 0.50 -3.43 0.01 0.00 0.00 0.00 0.00 33.22 30.29 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 6.00 0.00 0.13 1.12 -2.24 -1.26 -4.92 114.28 113.10 1t6w n THR 24 Ca 0.50 -0.54 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1t6w n THR 24 Cb 0.44 -0.58 0.57 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.11 0.16 0.13 3.42 3.32 -2.04 -0.56 116.42 120.97 1t6w h ASP 25 Ca -0.08 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1t6w h ASP 25 Cb 0.33 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1t6w h ASP 25 CO 0.12 0.11 -0.07 -0.78 -1.72 0.00 0.00 179.24 176.91 1t6w h ASP 26 N 0.19 0.00 -3.35 6.45 3.58 -1.94 -3.42 116.42 117.93 1t6w h ASP 26 Ca 0.09 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.00 1t6w h ASP 26 Cb 0.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1t6w h ASP 26 CO -0.02 0.07 0.44 -0.63 -2.88 0.00 0.00 179.24 176.22 1t6w s ILE 27 N -4.59 4.72 -0.10 2.25 -1.09 -0.22 -2.14 121.20 120.03 1t6w s ILE 27 Ca -0.04 1.96 -0.02 0.00 -2.23 0.00 0.00 60.65 60.32 1t6w s ILE 27 Cb 0.15 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1t6w s ILE 27 CO 0.61 0.13 -0.10 -0.67 -1.23 0.00 0.00 174.94 173.67 1t6w n ASP 28 N 4.10 2.21 -3.82 3.58 2.03 -0.08 -4.78 116.55 119.80 1t6w n ASP 28 Ca 0.07 0.02 -0.26 0.00 0.52 0.00 0.00 54.79 55.14 1t6w n ASP 28 Cb 0.50 -0.21 -0.17 0.00 -0.72 0.00 0.00 41.12 40.52 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 -2.19 1.01 -0.30 -0.67 2.12 -1.05 0.48 118.70 118.09 1t6w s GLU 29 Ca -0.13 -0.25 -0.08 0.00 0.36 0.00 0.00 54.97 54.87 1t6w s GLU 29 Cb 0.04 -1.63 0.01 0.00 0.26 0.00 0.00 34.13 32.81 1t6w s GLU 29 CO 0.20 -0.41 0.10 0.08 -0.54 0.00 0.00 175.26 174.69 1t6w s VAL 30 N 1.81 4.13 -0.13 3.70 1.01 0.03 -0.80 120.40 130.14 1t6w s VAL 30 Ca 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1t6w s VAL 30 Cb -0.14 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1t6w s VAL 30 CO -0.07 0.06 -0.10 -0.13 0.00 0.00 0.00 175.10 174.86 1t6w s ARG 31 N 1.52 3.43 -0.74 2.72 0.52 -1.06 0.10 118.95 125.45 1t6w s ARG 31 Ca 0.03 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1t6w s ARG 31 Cb -0.17 -2.72 0.18 0.00 0.52 0.00 0.00 34.95 32.76 1t6w s ARG 31 CO 0.03 0.26 0.58 -1.58 0.02 0.00 0.00 175.30 174.61 1t6w s TRP 32 N 0.27 3.60 0.06 -0.53 0.52 0.96 -1.50 118.94 122.32 1t6w s TRP 32 Ca -0.07 -2.92 -0.02 0.00 0.02 0.00 0.00 56.10 53.11 1t6w s TRP 32 Cb -0.15 -3.15 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 1t6w s TRP 32 CO 0.04 -0.77 0.24 -1.21 0.02 0.00 0.00 176.95 175.28 1t6w s GLU 33 N -0.73 3.48 -0.11 4.98 2.02 -0.28 -1.67 118.70 126.39 1t6w s GLU 33 Ca 0.22 -0.32 -0.03 0.00 0.02 0.00 0.00 54.97 54.86 1t6w s GLU 33 Cb -0.14 -3.02 0.05 0.00 0.10 0.00 0.00 34.13 31.12 1t6w s GLU 33 CO -0.08 0.60 0.06 0.50 0.02 0.00 0.00 175.26 176.36 1t6w s ARG 34 N -2.36 0.12 6.96 1.61 3.52 -0.66 -0.51 118.95 127.64 1t6w s ARG 34 Ca 0.34 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1t6w s ARG 34 Cb -0.13 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.97 1t6w s ARG 34 CO 0.24 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1t6w n GLY 35 N 5.25 3.58 2.22 8.12 0.00 -1.26 -1.51 105.19 121.59 1t6w n GLY 35 Ca -0.06 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 9.12 5.63 -3.70 1.61 7.64 -1.26 -5.01 113.62 127.66 1t6w n SER 36 Ca 0.00 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 56.02 1t6w n SER 36 Cb 0.00 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 62.61 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 -4.84 0.09 0.00 0.44 2.01 -0.57 -5.17 115.64 107.61 1t6w s THR 37 Ca 0.53 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1t6w s THR 37 Cb 0.43 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1t6w s THR 37 CO -0.04 -0.40 0.12 -0.76 -0.69 0.00 0.00 174.62 172.85 1t6w s LEU 38 N -2.82 4.05 -0.03 4.42 1.43 -1.26 -1.66 118.68 122.81 1t6w s LEU 38 Ca 0.04 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1t6w s LEU 38 Cb 0.03 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 1t6w s LEU 38 CO -0.11 0.26 -0.03 0.52 0.23 0.00 0.00 176.35 177.21 1t6w n VAL 39 N 1.02 0.18 -3.23 -1.59 0.31 -0.67 -4.64 118.33 109.72 1t6w n VAL 39 Ca -0.12 -0.06 0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1t6w n VAL 39 Cb 0.52 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.59 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 -2.06 -2.70 -0.24 3.52 0.00 -1.14 -1.27 121.76 117.87 1t6w s ALA 40 Ca -0.04 1.78 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1t6w s ALA 40 Cb 0.01 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.95 1t6w s ALA 40 CO 0.07 -1.29 -0.13 -1.21 0.00 0.00 0.00 175.76 173.20 1t6w s GLU 41 N 2.84 2.40 0.22 0.00 2.02 -0.18 -0.03 118.70 125.97 1t6w s GLU 41 Ca 0.08 -1.19 0.05 0.00 0.02 0.00 0.00 54.97 53.94 1t6w s GLU 41 Cb -0.12 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1t6w s GLU 41 CO -0.17 -0.48 0.28 0.12 0.02 0.00 0.00 175.26 175.03 1t6w s PHE 42 N 1.17 3.32 0.29 1.61 2.19 0.29 0.31 117.98 127.16 1t6w s PHE 42 Ca -0.05 -0.03 -0.05 0.00 0.33 0.00 0.00 56.93 57.12 1t6w s PHE 42 Cb -0.18 -1.52 -0.01 0.00 -1.31 0.00 0.00 43.02 40.00 1t6w s PHE 42 CO -0.07 0.48 0.42 0.21 1.83 0.00 0.00 175.22 178.09 1t6w s LYS 43 N -3.76 1.68 -0.47 10.12 2.20 -1.26 -0.79 119.74 127.47 1t6w s LYS 43 Ca 0.33 -1.58 -0.16 0.00 -0.36 0.00 0.00 55.97 54.21 1t6w s LYS 43 Cb -0.09 0.42 0.07 0.00 -1.51 0.00 0.00 37.83 36.72 1t6w s LYS 43 CO 0.27 -0.68 0.40 0.50 -0.36 0.00 0.00 175.35 175.48 1t6w s ARG 44 N -3.54 2.99 0.00 4.03 6.06 0.18 -4.54 118.95 124.13 1t6w s ARG 44 Ca 0.29 -1.28 0.00 0.00 -2.50 0.00 0.00 55.73 52.24 1t6w s ARG 44 Cb 0.01 -4.12 0.00 0.00 0.06 0.00 0.00 34.95 30.90 1t6w s ARG 44 CO 0.15 -1.01 0.00 1.17 -2.50 0.00 0.00 175.30 173.11 1t6w n LYS 45 N 5.27 0.00 -0.34 5.12 0.00 -1.26 -4.96 118.16 121.98 1t6w n LYS 45 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.92 1t6w n LYS 45 Cb 0.44 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.72 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1t6w n MET 46 N 0.00 -3.86 -3.37 1.64 2.81 -1.26 -4.96 117.12 108.11 1t6w n MET 46 Ca 0.00 -1.14 -0.38 0.00 -1.81 0.00 0.00 57.70 54.37 1t6w n MET 46 Cb 0.00 -1.82 -0.06 0.00 -0.71 0.00 0.00 33.22 30.63 1t6w n MET 46 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1t6w s LYS 47 N -4.52 4.24 0.49 0.03 0.00 -1.26 -4.70 119.74 114.02 1t6w s LYS 47 Ca 0.59 0.42 -0.06 0.00 0.00 0.00 0.00 55.97 56.92 1t6w s LYS 47 Cb -0.12 -3.38 0.11 0.00 0.00 0.00 0.00 37.83 34.44 1t6w s LYS 47 CO 0.51 0.30 0.66 -0.35 0.00 0.00 0.00 175.35 176.47 1t6w n PRO 48 N 3.19 -0.39 -3.61 1.78 -0.04 -1.26 -4.78 135.00 129.89 1t6w n PRO 48 Ca -0.09 -1.24 -0.27 0.00 -0.04 0.00 0.00 63.50 61.85 1t6w n PRO 48 Cb 0.52 -0.61 -0.16 0.00 -0.04 0.00 0.00 33.50 33.20 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 -2.23 0.43 -0.39 0.54 5.36 0.15 -4.96 117.98 116.87 1t6w s PHE 49 Ca 0.39 -0.65 -0.14 0.00 -0.96 0.00 0.00 56.93 55.58 1t6w s PHE 49 Cb -0.01 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.82 1t6w s PHE 49 CO 0.27 -0.65 0.27 -0.51 -1.46 0.00 0.00 175.22 173.15 1t6w s LEU 50 N 2.06 4.96 0.24 6.12 1.43 -1.26 -1.01 118.68 131.22 1t6w s LEU 50 Ca 0.04 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 1t6w s LEU 50 Cb -0.16 -2.13 0.38 0.00 0.03 0.00 0.00 46.19 44.31 1t6w s LEU 50 CO -0.19 -0.41 1.61 0.50 0.23 0.00 0.00 176.35 178.09 1t6w h LYS 51 N 8.57 0.03 -2.02 1.70 3.64 -1.44 -3.45 116.57 123.60 1t6w h LYS 51 Ca -0.27 -0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.30 1t6w h LYS 51 Cb 1.12 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.81 1t6w h LYS 51 CO 0.71 0.02 0.60 -1.54 -2.27 0.00 0.00 179.45 176.97 1t6w s SER 52 N -5.21 -0.21 0.14 4.20 1.04 -1.26 -5.00 113.70 107.39 1t6w s SER 52 Ca -0.14 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.21 1t6w s SER 52 Cb 0.23 0.34 0.41 0.00 0.10 0.00 0.00 66.02 67.09 1t6w s SER 52 CO 0.75 -0.59 1.14 0.61 0.98 0.00 0.00 173.24 176.14 1t6w n GLY 53 N -0.34 -0.54 0.00 7.32 0.00 -1.26 -1.40 105.19 108.98 1t6w n GLY 53 Ca -0.06 0.07 0.10 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 -1.51 2.34 -2.37 4.61 0.00 -1.26 -4.76 120.51 117.56 1t6w n ALA 54 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1t6w n ALA 54 Cb 0.14 -1.34 -0.10 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 1.20 -0.21 0.00 0.08 -0.49 -1.39 117.98 115.16 1t6w s PHE 55 Ca 0.31 -0.70 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 1t6w s PHE 55 Cb 0.14 -0.63 0.08 0.00 -0.57 0.00 0.00 43.02 42.04 1t6w s PHE 55 CO 0.24 0.05 0.49 -1.21 -0.10 0.00 0.00 175.22 174.69 1t6w s GLU 56 N -3.25 0.46 -0.65 0.44 2.02 -0.19 -4.90 118.70 112.63 1t6w s GLU 56 Ca 0.11 0.98 -0.24 0.00 0.02 0.00 0.00 54.97 55.85 1t6w s GLU 56 Cb -0.00 0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.43 1t6w s GLU 56 CO 0.01 -0.18 1.03 -1.50 0.02 0.00 0.00 175.26 174.63 1t6w s ILE 57 N 1.81 4.21 1.22 -1.63 2.07 -1.26 -0.62 121.20 127.01 1t6w s ILE 57 Ca -0.08 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 58.95 1t6w s ILE 57 Cb -0.09 -4.70 0.29 0.00 0.13 0.00 0.00 42.46 38.09 1t6w s ILE 57 CO -0.15 -1.47 0.84 0.18 -1.91 0.00 0.00 174.94 172.43 1t6w n LEU 58 N 8.00 -1.84 -0.10 8.50 4.32 -0.82 -4.89 117.00 130.18 1t6w n LEU 58 Ca -0.01 -0.29 -0.12 0.00 -0.02 0.00 0.00 56.01 55.57 1t6w n LEU 58 Cb 0.47 -1.17 -0.04 0.00 -1.62 0.00 0.00 43.42 41.06 1t6w n LEU 58 CO 0.65 -3.49 0.70 0.00 -1.22 0.00 0.00 177.39 174.03 1t6w h ALA 59 N -2.79 0.39 -0.09 -1.18 0.00 -1.96 -2.82 119.26 110.82 1t6w h ALA 59 Ca -0.59 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.05 1t6w h ALA 59 Cb 1.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t6w h ALA 59 CO 0.45 0.22 0.11 -2.95 0.00 0.00 0.00 179.25 177.08 1t6w h ASN 60 N 0.30 0.00 0.00 0.00 7.08 -1.91 -3.45 115.58 117.60 1t6w h ASN 60 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 1t6w h ASN 60 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.82 1t6w h ASN 60 CO 0.03 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.99 1t6w n GLY 61 N -1.35 1.58 3.61 9.14 0.00 -1.06 -3.29 105.19 113.82 1t6w n GLY 61 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1t6w n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6w s ASP 62 N -2.00 4.47 -0.17 1.61 1.01 -1.26 -4.80 116.67 115.53 1t6w s ASP 62 Ca 0.00 -0.51 -0.27 0.00 0.71 0.00 0.00 52.55 52.48 1t6w s ASP 62 Cb 0.00 -0.84 -0.01 0.00 1.01 0.00 0.00 42.92 43.08 1t6w s ASP 62 CO 0.00 0.09 0.91 -0.22 0.21 0.00 0.00 175.17 176.16 1t6w s LEU 63 N -2.91 4.17 -0.36 1.23 2.96 -1.20 -1.95 118.68 120.62 1t6w s LEU 63 Ca 0.26 1.28 -0.09 0.00 -0.22 0.00 0.00 54.13 55.36 1t6w s LEU 63 Cb -0.09 -3.35 0.03 0.00 0.50 0.00 0.00 46.19 43.28 1t6w s LEU 63 CO 0.17 -0.47 0.17 -0.75 -1.32 0.00 0.00 176.35 174.15 1t6w s LYS 64 N 2.35 2.75 -0.24 1.98 2.47 0.21 -1.74 119.74 127.51 1t6w s LYS 64 Ca 0.41 -1.12 -0.18 0.00 -1.56 0.00 0.00 55.97 53.52 1t6w s LYS 64 Cb -0.17 -3.63 -0.03 0.00 -1.46 0.00 0.00 37.83 32.55 1t6w s LYS 64 CO 0.12 -0.69 0.51 0.42 0.16 0.00 0.00 175.35 175.88 1t6w s ILE 65 N 1.50 5.08 0.05 5.43 1.01 -0.30 -1.02 121.20 132.95 1t6w s ILE 65 Ca 0.01 0.90 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 1t6w s ILE 65 Cb -0.19 -3.83 -0.30 0.00 0.01 0.00 0.00 42.46 38.15 1t6w s ILE 65 CO 0.05 0.11 1.04 0.50 0.00 0.00 0.00 174.94 176.64 1t6w h LYS 66 N 7.86 0.32 -2.56 2.79 3.11 -1.52 -2.75 116.57 123.81 1t6w h LYS 66 Ca -0.30 -0.55 -0.36 0.00 -2.81 0.00 0.00 60.65 56.63 1t6w h LYS 66 Cb 1.14 0.20 -0.37 0.00 -1.00 0.00 0.00 32.23 32.21 1t6w h LYS 66 CO 0.72 1.24 -0.66 1.21 -2.81 0.00 0.00 179.45 179.15 1t6w s ASN 67 N -7.20 1.77 0.47 4.20 3.84 -1.26 -4.07 114.94 112.70 1t6w s ASN 67 Ca -0.06 -0.46 -0.24 0.00 0.21 0.00 0.00 52.86 52.30 1t6w s ASN 67 Cb 0.06 0.24 -0.08 0.00 -0.55 0.00 0.00 41.25 40.93 1t6w s ASN 67 CO 0.89 -0.35 1.37 0.18 -2.79 0.00 0.00 177.10 176.40 1t6w n LEU 68 N 5.31 4.96 -4.06 3.21 4.77 -0.24 -4.65 117.00 126.30 1t6w n LEU 68 Ca -0.05 1.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.91 1t6w n LEU 68 Cb 0.48 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 39.92 1t6w n LEU 68 CO 0.07 -0.41 -0.18 0.42 -1.33 0.00 0.00 177.39 175.97 1t6w s THR 69 N -1.22 0.09 0.14 -5.08 -4.23 -1.26 -0.87 115.64 103.21 1t6w s THR 69 Ca 0.64 -1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 59.22 1t6w s THR 69 Cb -0.45 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.45 1t6w s THR 69 CO 0.55 -0.41 1.61 0.03 -0.54 0.00 0.00 174.62 175.86 1t6w h ARG 70 N 2.73 -0.34 -0.25 3.99 2.47 -1.95 0.14 114.38 121.17 1t6w h ARG 70 Ca -0.34 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.48 1t6w h ARG 70 Cb 1.21 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 1t6w h ARG 70 CO 0.55 -0.23 0.38 0.22 0.56 0.00 0.00 179.97 181.45 1t6w h ASP 71 N -0.36 0.00 0.92 7.04 3.58 -2.01 0.43 116.42 126.02 1t6w h ASP 71 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1t6w h ASP 71 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1t6w h ASP 71 CO -0.41 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.42 1t6w n ASP 72 N -3.45 0.55 -4.62 2.28 8.00 0.49 -4.66 116.55 115.13 1t6w n ASP 72 Ca 0.04 0.60 -0.43 0.00 0.71 0.00 0.00 54.79 55.71 1t6w n ASP 72 Cb 0.51 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1t6w s SER 73 N -4.02 6.80 0.00 -2.24 1.04 0.15 -4.78 113.70 110.64 1t6w s SER 73 Ca 0.07 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1t6w s SER 73 Cb 0.11 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1t6w s SER 73 CO 0.44 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1t6w n GLY 74 N 4.09 -0.52 3.22 7.32 0.00 -0.22 -4.98 105.19 114.10 1t6w n GLY 74 Ca 0.09 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 2.02 -0.16 2.61 2.01 -1.26 -0.17 115.64 116.68 1t6w s THR 75 Ca 0.00 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1t6w s THR 75 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1t6w s THR 75 CO 0.00 0.55 0.06 -0.31 -0.69 0.00 0.00 174.62 174.23 1t6w s TYR 76 N 0.26 3.26 -0.18 4.92 1.51 0.15 -4.42 117.35 122.84 1t6w s TYR 76 Ca -0.16 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1t6w s TYR 76 Cb -0.17 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1t6w s TYR 76 CO 0.08 0.24 -0.11 -0.80 -1.11 0.00 0.00 175.55 173.85 1t6w s ASN 77 N 0.10 3.95 -0.18 2.29 0.01 0.33 -0.14 114.94 121.31 1t6w s ASN 77 Ca 0.05 -0.43 -0.06 0.00 -0.71 0.00 0.00 52.86 51.71 1t6w s ASN 77 Cb -0.12 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 1t6w s ASN 77 CO 0.01 0.05 0.02 -0.69 -1.51 0.00 0.00 177.10 174.98 1t6w s VAL 78 N 1.06 4.38 -0.42 1.60 1.01 0.11 -1.12 120.40 127.01 1t6w s VAL 78 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1t6w s VAL 78 Cb -0.15 -2.96 0.11 0.00 0.00 0.00 0.00 36.38 33.39 1t6w s VAL 78 CO -0.02 0.46 0.18 -0.89 0.00 0.00 0.00 175.10 174.83 1t6w s THR 79 N 0.47 2.87 -0.20 3.92 2.01 -0.56 -1.20 115.64 122.96 1t6w s THR 79 Ca 0.00 -2.43 -0.22 0.00 0.31 0.00 0.00 61.69 59.36 1t6w s THR 79 Cb -0.13 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1t6w s THR 79 CO 0.02 -0.69 0.68 -0.69 -0.69 0.00 0.00 174.62 173.24 1t6w s VAL 80 N 0.73 4.98 0.13 3.82 1.01 0.75 -2.56 120.40 129.26 1t6w s VAL 80 Ca 0.11 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1t6w s VAL 80 Cb -0.21 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1t6w s VAL 80 CO -0.05 0.08 -0.11 -0.31 0.00 0.00 0.00 175.10 174.71 1t6w s TYR 81 N 2.02 2.68 0.65 5.22 2.02 0.02 0.41 117.35 130.37 1t6w s TYR 81 Ca 0.31 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.80 1t6w s TYR 81 Cb -0.16 -1.38 0.08 0.00 -0.40 0.00 0.00 41.96 40.10 1t6w s TYR 81 CO 0.11 0.44 0.91 -1.54 -1.57 0.00 0.00 175.55 173.90 1t6w s SER 82 N -2.37 4.80 0.61 2.29 1.04 -0.16 -0.90 113.70 119.01 1t6w s SER 82 Ca 0.22 -0.03 0.41 0.00 0.48 0.00 0.00 55.95 57.02 1t6w s SER 82 Cb -0.10 -0.61 2.18 0.00 0.10 0.00 0.00 66.02 67.58 1t6w s SER 82 CO 0.14 -1.53 2.24 0.71 0.98 0.00 0.00 173.24 175.78 1t6w h THR 83 N -0.32 0.00 -0.56 2.02 1.35 -1.73 -1.01 112.91 112.66 1t6w h THR 83 Ca -0.41 -0.04 -0.17 0.00 -0.55 0.00 0.00 66.41 65.24 1t6w h THR 83 Cb 1.29 0.96 -0.10 0.00 -1.73 0.00 0.00 68.15 68.56 1t6w h THR 83 CO 0.49 0.00 0.22 0.59 -0.25 0.00 0.00 175.52 176.57 1t6w n ASN 84 N -2.95 4.02 -1.81 5.36 3.02 -1.26 -4.87 115.26 116.77 1t6w n ASN 84 Ca -0.02 -2.90 -0.18 0.00 -0.03 0.00 0.00 54.58 51.45 1t6w n ASN 84 Cb 0.08 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.51 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6w n GLY 85 N -0.08 0.96 4.03 7.41 0.00 -0.38 -4.96 105.19 112.18 1t6w n GLY 85 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.62 2.39 -0.22 2.61 2.01 -1.25 -4.86 115.64 113.69 1t6w s THR 86 Ca 0.00 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1t6w s THR 86 Cb 0.00 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1t6w s THR 86 CO 0.00 0.00 0.22 -0.60 -0.69 0.00 0.00 174.62 173.55 1t6w s ARG 87 N -4.58 4.13 -0.14 4.92 3.52 -1.26 -0.98 118.95 124.56 1t6w s ARG 87 Ca 0.60 -0.12 -0.14 0.00 -0.13 0.00 0.00 55.73 55.94 1t6w s ARG 87 Cb -0.07 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1t6w s ARG 87 CO 0.37 0.10 -0.28 -0.89 -0.81 0.00 0.00 175.30 173.79 1t6w n ILE 88 N 4.09 1.27 -3.76 4.11 5.41 0.17 -4.86 119.36 125.79 1t6w n ILE 88 Ca -0.13 0.20 -0.15 0.00 1.00 0.00 0.00 62.75 63.67 1t6w n ILE 88 Cb 0.52 -2.18 -0.16 0.00 -0.71 0.00 0.00 39.64 37.10 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 -7.45 1.02 -0.27 1.39 0.20 -1.08 -5.00 118.68 107.49 1t6w s LEU 89 Ca -0.23 0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.66 1t6w s LEU 89 Cb 0.03 -0.07 0.07 0.00 -0.43 0.00 0.00 46.19 45.79 1t6w s LEU 89 CO 0.35 -0.14 -0.08 0.21 -0.29 0.00 0.00 176.35 176.40 1t6w s ASN 90 N 1.13 4.44 0.26 3.68 3.04 -1.26 -0.18 114.94 126.06 1t6w s ASN 90 Ca -0.08 -1.49 0.11 0.00 0.04 0.00 0.00 52.86 51.44 1t6w s ASN 90 Cb -0.13 -1.53 -0.05 0.00 -1.54 0.00 0.00 41.25 38.01 1t6w s ASN 90 CO -0.03 -0.22 -0.19 -0.54 -3.04 0.00 0.00 177.10 173.07 1t6w s LYS 91 N 1.10 1.62 -0.04 0.43 -0.14 -0.34 -4.96 119.74 117.40 1t6w s LYS 91 Ca -0.06 -1.73 -0.02 0.00 -1.36 0.00 0.00 55.97 52.81 1t6w s LYS 91 Cb -0.20 -1.67 0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1t6w s LYS 91 CO -0.06 0.31 0.05 0.00 -0.76 0.00 0.00 175.35 174.90 1t6w s ALA 92 N -2.54 0.22 0.35 5.17 0.00 -1.26 0.07 121.76 123.77 1t6w s ALA 92 Ca 0.28 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.53 1t6w s ALA 92 Cb -0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 1t6w s ALA 92 CO 0.13 -0.42 -0.07 -0.51 0.00 0.00 0.00 175.76 174.89 1t6w s LEU 93 N 1.97 2.78 -0.06 0.00 1.02 0.81 -3.32 118.68 121.88 1t6w s LEU 93 Ca 0.03 -1.19 0.05 0.00 0.02 0.00 0.00 54.13 53.04 1t6w s LEU 93 Cb -0.12 -1.04 -0.00 0.00 0.02 0.00 0.00 46.19 45.05 1t6w s LEU 93 CO -0.03 -0.23 -0.20 -1.81 0.02 0.00 0.00 176.35 174.10 1t6w s ASP 94 N -3.63 2.55 -0.05 2.29 1.11 0.30 0.30 116.67 119.53 1t6w s ASP 94 Ca 0.33 -0.43 0.03 0.00 0.18 0.00 0.00 52.55 52.66 1t6w s ASP 94 Cb 0.03 -0.79 0.01 0.00 1.07 0.00 0.00 42.92 43.23 1t6w s ASP 94 CO 0.17 0.18 -0.11 -0.22 1.18 0.00 0.00 175.17 176.36 1t6w s LEU 95 N 0.05 1.70 -0.13 1.23 0.20 0.76 0.57 118.68 123.05 1t6w s LEU 95 Ca -0.06 -0.26 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 1t6w s LEU 95 Cb -0.13 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 1t6w s LEU 95 CO 0.04 0.05 -0.05 -0.13 -0.29 0.00 0.00 176.35 175.97 1t6w s ARG 96 N 0.46 3.44 -0.52 1.98 1.81 0.95 -1.06 118.95 126.01 1t6w s ARG 96 Ca -0.10 -0.54 -0.15 0.00 -1.72 0.00 0.00 55.73 53.23 1t6w s ARG 96 Cb -0.13 -2.82 0.12 0.00 -0.45 0.00 0.00 34.95 31.67 1t6w s ARG 96 CO 0.02 0.34 0.46 0.42 -0.68 0.00 0.00 175.30 175.86 1t6w s ILE 97 N 0.08 5.05 -0.10 1.52 -1.09 -1.26 -1.09 121.20 124.31 1t6w s ILE 97 Ca -0.01 -1.47 -0.30 0.00 -2.23 0.00 0.00 60.65 56.64 1t6w s ILE 97 Cb -0.14 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1t6w s ILE 97 CO 0.03 -0.80 1.25 -0.76 -1.23 0.00 0.00 174.94 173.43 1t6w s LEU 98 N 1.57 4.24 0.00 2.97 1.43 0.12 -4.77 118.68 124.24 1t6w s LEU 98 Ca 0.04 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1t6w s LEU 98 Cb -0.28 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.49 1t6w s LEU 98 CO 0.03 -0.68 0.59 -0.62 0.23 0.00 0.00 176.35 175.90