#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4w s LEU 7 N 0.00 3.97 0.02 -0.35 1.43 -1.26 -5.07 118.68 117.41 3d4w s LEU 7 Ca 0.00 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 3d4w s LEU 7 Cb 0.00 -4.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 3d4w s LEU 7 CO 0.00 -0.29 -0.03 -1.38 0.23 0.00 0.00 176.35 174.88 3d4w s HIS 8 N -2.13 0.24 -0.02 0.29 -3.43 -1.26 -5.12 115.29 103.86 3d4w s HIS 8 Ca 0.55 -0.37 -0.20 0.00 -0.80 0.00 0.00 55.06 54.23 3d4w s HIS 8 Cb -0.10 -0.17 -0.05 0.00 -1.43 0.00 0.00 32.58 30.83 3d4w s HIS 8 CO 0.21 -0.12 0.58 0.15 -2.00 0.00 0.00 174.74 173.55 3d4w s LYS 9 N -1.05 4.30 0.10 -0.38 1.02 -1.26 -4.38 119.74 118.10 3d4w s LYS 9 Ca -0.11 0.70 0.09 0.00 0.02 0.00 0.00 55.97 56.68 3d4w s LYS 9 Cb -0.07 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3d4w s LYS 9 CO -0.01 0.36 -0.22 -1.21 -0.92 0.00 0.00 175.35 173.35 3d4w s GLU 10 N -0.14 1.69 0.54 1.68 2.02 0.64 -4.94 118.70 120.19 3d4w s GLU 10 Ca 0.30 -1.20 -0.20 0.00 0.02 0.00 0.00 54.97 53.89 3d4w s GLU 10 Cb -0.18 -2.03 -0.06 0.00 0.10 0.00 0.00 34.13 31.96 3d4w s GLU 10 CO 0.16 0.48 1.14 -1.25 0.02 0.00 0.00 175.26 175.81 3d4w s PRO 11 N -1.91 3.34 0.19 0.39 0.04 -1.26 -0.42 135.00 135.37 3d4w s PRO 11 Ca 0.15 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 3d4w s PRO 11 Cb -0.10 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.45 3d4w s PRO 11 CO 0.07 -0.86 0.53 0.00 0.04 0.00 0.00 177.00 176.78 3d4w s ALA 12 N -1.75 -1.01 -0.04 8.56 0.00 -0.78 -4.57 121.76 122.18 3d4w s ALA 12 Ca 0.73 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.55 3d4w s ALA 12 Cb -0.25 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3d4w s ALA 12 CO 0.28 -0.80 -0.07 0.99 0.00 0.00 0.00 175.76 176.16 3d4w s THR 13 N -3.86 0.66 0.12 0.00 2.01 -0.57 -4.12 115.64 109.88 3d4w s THR 13 Ca 0.08 -0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 3d4w s THR 13 Cb -0.01 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.78 3d4w s THR 13 CO -0.04 0.24 1.52 -0.22 -0.69 0.00 0.00 174.62 175.43 3d4w s LEU 14 N 0.58 4.37 -0.17 4.42 2.96 -1.26 0.00 118.68 129.57 3d4w s LEU 14 Ca -0.09 2.47 -0.14 0.00 -0.22 0.00 0.00 54.13 56.15 3d4w s LEU 14 Cb -0.12 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3d4w s LEU 14 CO 0.01 -0.78 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.64 3d4w n ILE 15 N 4.16 1.47 -3.70 6.68 5.41 0.21 -4.82 119.36 128.78 3d4w n ILE 15 Ca 0.13 0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.88 3d4w n ILE 15 Cb 0.40 -2.30 -0.10 0.00 -0.71 0.00 0.00 39.64 36.93 3d4w n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3d4w s LYS 16 N -2.56 0.52 -0.08 0.38 2.20 -0.91 -5.01 119.74 114.28 3d4w s LYS 16 Ca -0.24 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 55.83 3d4w s LYS 16 Cb 0.04 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 3d4w s LYS 16 CO 0.36 -0.10 1.01 0.00 -0.36 0.00 0.00 175.35 176.26 3d4w s ALA 17 N 0.73 3.36 -0.18 3.13 0.00 -1.26 -0.93 121.76 126.61 3d4w s ALA 17 Ca -0.04 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 3d4w s ALA 17 Cb -0.05 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 3d4w s ALA 17 CO -0.05 -0.54 -0.25 -0.89 0.00 0.00 0.00 175.76 174.02 3d4w n ILE 18 N 4.43 1.48 -3.02 0.00 5.41 -0.86 -4.96 119.36 121.84 3d4w n ILE 18 Ca 0.08 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.92 3d4w n ILE 18 Cb 0.49 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.13 3d4w n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3d4w n ASP 19 N -4.48 0.00 -0.33 4.38 5.68 -0.98 -5.00 116.55 115.82 3d4w n ASP 19 Ca -0.18 -0.42 0.12 0.00 -0.50 0.00 0.00 54.79 53.81 3d4w n ASP 19 Cb 0.49 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.77 3d4w n ASP 19 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3d4w h GLY 20 N 0.00 1.65 -0.29 6.12 0.00 -1.82 -3.22 103.07 105.51 3d4w h GLY 20 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3d4w h GLY 20 CO 0.00 -0.11 -0.14 2.09 0.00 0.00 0.00 176.54 178.37 3d4w n ASP 21 N -4.86 1.48 -4.01 0.19 5.68 -1.26 -4.74 116.55 109.03 3d4w n ASP 21 Ca 0.22 -2.51 -0.20 0.00 -0.50 0.00 0.00 54.79 51.80 3d4w n ASP 21 Cb 0.57 -0.28 -0.15 0.00 -1.14 0.00 0.00 41.12 40.11 3d4w n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3d4w s THR 22 N -1.64 0.75 -0.00 2.12 -4.23 -1.22 -1.09 115.64 110.33 3d4w s THR 22 Ca 0.17 -0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 3d4w s THR 22 Cb 0.15 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.33 3d4w s THR 22 CO 0.02 0.23 0.01 0.68 -0.54 0.00 0.00 174.62 175.02 3d4w s VAL 23 N 0.06 0.00 -0.19 2.29 -7.23 -0.83 -2.03 120.40 112.47 3d4w s VAL 23 Ca -0.01 -0.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.99 3d4w s VAL 23 Cb -0.07 -0.03 -0.04 0.00 0.56 0.00 0.00 36.38 36.81 3d4w s VAL 23 CO 0.00 -0.00 0.42 -0.75 -0.31 0.00 0.00 175.10 174.46 3d4w s LYS 24 N -0.00 4.20 0.10 4.82 2.47 -0.11 -0.52 119.74 130.70 3d4w s LYS 24 Ca -0.00 0.26 0.06 0.00 -1.56 0.00 0.00 55.97 54.73 3d4w s LYS 24 Cb -0.00 -3.52 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 3d4w s LYS 24 CO 0.00 -0.02 -0.16 -0.51 0.16 0.00 0.00 175.35 174.82 3d4w s LEU 25 N 1.25 2.34 -0.14 5.43 1.43 -0.09 -0.62 118.68 128.29 3d4w s LEU 25 Ca 0.21 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 3d4w s LEU 25 Cb -0.15 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3d4w s LEU 25 CO 0.08 -0.07 1.00 -0.04 0.23 0.00 0.00 176.35 177.55 3d4w s MET 26 N -2.22 4.38 -0.13 1.70 -1.94 0.10 -0.52 119.30 120.68 3d4w s MET 26 Ca 0.05 1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 55.38 3d4w s MET 26 Cb -0.08 -3.56 0.04 0.00 2.01 0.00 0.00 34.83 33.23 3d4w s MET 26 CO 0.03 -0.38 -0.03 -0.47 -0.01 0.00 0.00 175.02 174.16 3d4w s TYR 27 N 2.27 1.26 -1.55 -0.03 5.04 0.04 -1.52 117.35 122.86 3d4w s TYR 27 Ca 0.47 -0.70 -0.11 0.00 -2.44 0.00 0.00 57.07 54.28 3d4w s TYR 27 Cb -0.17 -1.11 0.09 0.00 0.35 0.00 0.00 41.96 41.11 3d4w s TYR 27 CO 0.15 -0.51 0.76 1.63 -1.34 0.00 0.00 175.55 176.24 3d4w n LYS 28 N 4.99 -4.12 -0.04 4.97 5.02 -1.26 -1.86 118.16 125.87 3d4w n LYS 28 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 3d4w n LYS 28 Cb 0.49 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3d4w n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4w n GLY 29 N -1.64 1.55 3.28 0.72 0.00 -1.26 -5.04 105.19 102.80 3d4w n GLY 29 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3d4w n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d4w s GLN 30 N -0.47 2.23 0.13 1.61 -1.52 -0.78 -5.08 119.66 115.79 3d4w s GLN 30 Ca 0.00 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.22 3d4w s GLN 30 Cb 0.00 -2.03 -0.07 0.00 -0.22 0.00 0.00 33.01 30.69 3d4w s GLN 30 CO 0.00 0.47 1.20 -1.25 -0.25 0.00 0.00 175.29 175.45 3d4w s PRO 31 N -0.40 4.47 -0.00 2.91 0.04 -1.26 -0.78 135.00 139.98 3d4w s PRO 31 Ca 0.04 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 3d4w s PRO 31 Cb -0.11 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.15 3d4w s PRO 31 CO 0.01 -0.15 0.25 0.00 0.04 0.00 0.00 177.00 177.15 3d4w s MET 32 N 0.33 0.63 -0.02 4.56 0.23 0.32 -4.95 119.30 120.41 3d4w s MET 32 Ca 0.55 -0.30 -0.22 0.00 -1.03 0.00 0.00 55.69 54.69 3d4w s MET 32 Cb -0.31 0.27 -0.05 0.00 -1.53 0.00 0.00 34.83 33.21 3d4w s MET 32 CO 0.33 -0.17 0.66 0.99 -2.03 0.00 0.00 175.02 174.80 3d4w s THR 33 N -1.51 4.92 -0.11 3.16 2.01 -1.26 -0.91 115.64 121.94 3d4w s THR 33 Ca -0.13 1.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.25 3d4w s THR 33 Cb -0.05 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 3d4w s THR 33 CO 0.02 0.35 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.85 3d4w s PHE 34 N 0.18 2.86 -0.19 4.92 0.08 0.32 -0.89 117.98 125.27 3d4w s PHE 34 Ca 0.34 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.96 3d4w s PHE 34 Cb -0.18 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 3d4w s PHE 34 CO 0.18 -0.00 0.07 0.50 -0.10 0.00 0.00 175.22 175.87 3d4w s ARG 35 N -0.05 3.98 0.10 0.44 6.06 0.10 -1.97 118.95 127.62 3d4w s ARG 35 Ca -0.01 -0.34 -0.31 0.00 -2.50 0.00 0.00 55.73 52.57 3d4w s ARG 35 Cb -0.14 -3.25 -0.08 0.00 0.06 0.00 0.00 34.95 31.53 3d4w s ARG 35 CO 0.03 0.24 1.53 -0.51 -2.50 0.00 0.00 175.30 174.10 3d4w s LEU 36 N 0.47 4.36 0.43 -0.88 1.43 -0.25 -2.77 118.68 121.47 3d4w s LEU 36 Ca 0.04 2.44 -0.26 0.00 -1.03 0.00 0.00 54.13 55.32 3d4w s LEU 36 Cb -0.12 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 3d4w s LEU 36 CO 0.00 -0.79 1.39 -0.76 0.23 0.00 0.00 176.35 176.42 3d4w s LEU 37 N 1.77 4.17 -0.68 1.79 1.43 -0.53 -3.98 118.68 122.65 3d4w s LEU 37 Ca 0.69 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.63 3d4w s LEU 37 Cb -0.39 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 41.93 3d4w s LEU 37 CO 0.31 -1.04 0.00 0.18 0.23 0.00 0.00 176.35 176.03 3d4w n LEU 38 N -0.03 -0.07 -4.26 1.79 4.77 -1.26 -4.94 117.00 113.00 3d4w n LEU 38 Ca 0.04 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 3d4w n LEU 38 Cb 0.42 -2.02 -0.16 0.00 -2.33 0.00 0.00 43.42 39.33 3d4w n LEU 38 CO 0.58 -0.73 -0.55 0.68 -1.33 0.00 0.00 177.39 176.03 3d4w s VAL 39 N -1.84 1.92 0.02 4.08 -7.23 -1.26 -0.62 120.40 115.48 3d4w s VAL 39 Ca 0.00 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3d4w s VAL 39 Cb 0.00 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3d4w s VAL 39 CO 0.00 0.54 0.04 -0.90 -0.31 0.00 0.00 175.10 174.47 3d4w n ASP 40 N 2.75 -0.12 -4.48 4.85 5.75 -0.41 -4.75 116.55 120.13 3d4w n ASP 40 Ca -0.17 -1.12 -0.33 0.00 -0.01 0.00 0.00 54.79 53.17 3d4w n ASP 40 Cb 0.52 0.21 -0.13 0.00 -1.03 0.00 0.00 41.12 40.69 3d4w n ASP 40 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3d4w s THR 41 N -2.68 3.23 0.32 2.12 2.01 -1.26 -0.79 115.64 118.60 3d4w s THR 41 Ca 0.02 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 3d4w s THR 41 Cb -0.00 -2.30 -0.11 0.00 0.01 0.00 0.00 72.50 70.10 3d4w s THR 41 CO 0.01 0.58 1.55 -2.16 -0.69 0.00 0.00 174.62 173.91 3d4w s PRO 42 N -0.53 4.12 0.19 4.92 0.04 -1.26 -4.90 135.00 137.58 3d4w s PRO 42 Ca 0.07 2.56 -0.32 0.00 0.04 0.00 0.00 61.00 63.36 3d4w s PRO 42 Cb -0.12 -3.01 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 3d4w s PRO 42 CO 0.02 -0.59 1.75 -2.00 0.04 0.00 0.00 177.00 176.21 3d4w s GLU 43 N -1.01 4.12 0.00 4.56 2.12 -1.26 -2.06 118.70 125.18 3d4w s GLU 43 Ca 0.60 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.54 3d4w s GLU 43 Cb -0.47 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3d4w s GLU 43 CO 0.53 -0.77 0.00 1.19 -0.54 0.00 0.00 175.26 175.66 3d4w n PHE 50 N 4.33 0.00 -2.58 5.30 3.01 -1.26 -4.81 117.46 121.45 3d4w n PHE 50 Ca 0.16 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.38 3d4w n PHE 50 Cb 0.36 -0.99 -0.00 0.00 -0.01 0.00 0.00 39.48 38.83 3d4w n PHE 50 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3d4w n ASN 51 N -0.45 4.11 -0.24 4.37 2.85 -0.87 -4.90 115.26 120.13 3d4w n ASN 51 Ca 0.00 -3.55 0.00 0.00 -0.11 0.00 0.00 54.58 50.92 3d4w n ASN 51 Cb 0.23 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 40.76 3d4w n ASN 51 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3d4w n GLU 52 N -0.37 0.86 -0.80 1.20 1.02 -1.23 -4.43 120.64 116.88 3d4w n GLU 52 Ca 0.33 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.35 3d4w n GLU 52 Cb 0.65 -1.20 0.09 0.00 -0.02 0.00 0.00 31.44 30.95 3d4w n GLU 52 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3d4w n LYS 53 N -0.23 -0.58 -0.77 3.49 2.85 -1.26 -3.81 118.16 117.85 3d4w n LYS 53 Ca 0.00 -0.87 0.00 0.00 -1.05 0.00 0.00 58.31 56.39 3d4w n LYS 53 Cb 0.10 -0.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 3d4w n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3d4w n TYR 54 N -2.79 0.00 0.02 5.58 4.01 -1.26 -4.92 117.16 117.79 3d4w n TYR 54 Ca 0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.70 3d4w n TYR 54 Cb 0.25 -0.92 -0.07 0.00 -0.31 0.00 0.00 39.34 38.28 3d4w n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3d4w h GLY 55 N 0.00 -1.21 0.62 2.72 0.00 -1.93 0.44 103.07 103.70 3d4w h GLY 55 Ca 0.00 0.66 0.08 0.00 0.00 0.00 0.00 47.33 48.07 3d4w h GLY 55 CO 0.00 -0.31 0.50 -2.55 0.00 0.00 0.00 176.54 174.18 3d4w h PRO 56 N -0.46 0.85 -0.40 4.80 0.11 -1.91 0.32 132.00 135.31 3d4w h PRO 56 Ca 0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3d4w h PRO 56 Cb 0.51 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3d4w h PRO 56 CO -0.29 0.56 0.15 0.93 -0.21 0.00 0.00 178.00 179.15 3d4w h GLU 57 N 0.88 0.60 -0.68 1.05 3.07 -1.90 -0.07 114.58 117.53 3d4w h GLU 57 Ca 0.39 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 59.07 3d4w h GLU 57 Cb 0.27 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 3d4w h GLU 57 CO -0.21 0.58 0.19 0.00 -1.40 0.00 0.00 179.01 178.16 3d4w h ALA 58 N 1.00 0.90 0.08 3.43 0.00 0.15 -1.12 119.26 123.70 3d4w h ALA 58 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3d4w h ALA 58 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3d4w h ALA 58 CO -0.01 0.60 -0.05 0.77 0.00 0.00 0.00 179.25 180.56 3d4w h SER 59 N 1.01 -0.12 -0.78 0.00 0.02 -0.65 -2.15 113.55 110.88 3d4w h SER 59 Ca 0.22 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3d4w h SER 59 Cb 0.34 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3d4w h SER 59 CO -0.00 -0.08 0.52 0.00 -1.14 0.00 0.00 176.83 176.13 3d4w h ALA 60 N 0.79 1.46 0.37 3.77 0.00 -0.91 0.47 119.26 125.21 3d4w h ALA 60 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3d4w h ALA 60 Cb 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3d4w h ALA 60 CO 0.01 0.49 -0.18 0.35 0.00 0.00 0.00 179.25 179.92 3d4w h PHE 61 N 1.04 -0.46 -0.44 0.00 3.57 -1.05 -0.21 116.94 119.39 3d4w h PHE 61 Ca 0.29 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 3d4w h PHE 61 Cb -0.08 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3d4w h PHE 61 CO -0.00 -0.18 0.26 1.15 -2.23 0.00 0.00 178.31 177.30 3d4w h THR 62 N -0.68 1.04 -0.03 4.41 2.02 -1.35 -1.92 112.91 116.40 3d4w h THR 62 Ca -0.05 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3d4w h THR 62 Cb 0.48 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3d4w h THR 62 CO 0.08 0.09 -0.14 0.50 0.37 0.00 0.00 175.52 176.43 3d4w h LYS 63 N 0.51 -0.21 -0.41 6.66 3.64 -0.81 -0.70 116.57 125.25 3d4w h LYS 63 Ca 0.18 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 3d4w h LYS 63 Cb 0.02 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 3d4w h LYS 63 CO -0.08 -0.14 0.05 -0.22 -2.27 0.00 0.00 179.45 176.78 3d4w h LYS 64 N -0.22 0.16 -0.16 1.90 3.64 -0.97 -0.49 116.57 120.44 3d4w h LYS 64 Ca 0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3d4w h LYS 64 Cb 0.29 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3d4w h LYS 64 CO -0.16 0.11 0.07 1.98 -2.27 0.00 0.00 179.45 179.18 3d4w h MET 65 N 0.17 0.23 0.04 1.90 4.05 -0.71 -2.06 114.93 118.55 3d4w h MET 65 Ca 0.20 -0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 59.35 3d4w h MET 65 Cb 0.27 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3d4w h MET 65 CO -0.30 0.29 -1.02 -0.39 0.23 0.00 0.00 176.91 175.72 3d4w h VAL 66 N 0.11 1.43 -0.08 -5.77 -1.51 -1.03 -3.08 116.25 106.32 3d4w h VAL 66 Ca 0.05 -2.62 -0.14 0.00 -1.23 0.00 0.00 66.70 62.76 3d4w h VAL 66 Cb 0.15 2.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 3d4w h VAL 66 CO -0.01 0.78 -0.56 -0.33 -1.23 0.00 0.00 177.57 176.22 3d4w h GLU 67 N 0.18 0.24 -0.01 5.19 5.08 -1.06 -2.87 114.58 121.33 3d4w h GLU 67 Ca -0.09 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3d4w h GLU 67 Cb 1.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.95 3d4w h GLU 67 CO 0.17 0.73 -0.11 0.09 -1.00 0.00 0.00 179.01 178.90 3d4w n ASN 68 N -3.91 0.96 -4.73 1.42 3.02 -0.78 -4.90 115.26 106.34 3d4w n ASN 68 Ca -0.02 -1.03 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 3d4w n ASN 68 Cb 0.58 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.74 3d4w n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d4w s ALA 69 N -2.28 3.30 0.09 5.41 0.00 -1.09 -4.96 121.76 122.24 3d4w s ALA 69 Ca 0.32 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 3d4w s ALA 69 Cb 0.20 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 3d4w s ALA 69 CO 0.43 -0.07 1.52 -0.22 0.00 0.00 0.00 175.76 177.43 3d4w h LYS 70 N 5.24 0.46 -5.29 0.00 3.64 -1.90 -3.45 116.57 115.26 3d4w h LYS 70 Ca -0.44 -0.15 -0.65 0.00 -1.27 0.00 0.00 60.65 58.15 3d4w h LYS 70 Cb 1.21 -0.04 -0.33 0.00 -0.41 0.00 0.00 32.23 32.66 3d4w h LYS 70 CO 0.72 0.62 -0.87 0.21 -2.27 0.00 0.00 179.45 177.86 3d4w s LYS 71 N -4.98 2.68 -0.11 1.90 2.20 -1.26 -5.02 119.74 115.16 3d4w s LYS 71 Ca -0.14 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 3d4w s LYS 71 Cb 0.08 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3d4w s LYS 71 CO 0.75 0.18 -0.12 0.42 -0.36 0.00 0.00 175.35 176.23 3d4w s ILE 72 N 0.31 3.21 0.04 5.43 -1.09 -1.26 -0.85 121.20 126.98 3d4w s ILE 72 Ca -0.15 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 57.70 3d4w s ILE 72 Cb -0.17 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 3d4w s ILE 72 CO 0.07 0.55 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.53 3d4w s GLU 73 N -0.04 1.28 -0.13 2.79 2.02 -0.47 -1.86 118.70 122.28 3d4w s GLU 73 Ca -0.02 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.06 3d4w s GLU 73 Cb -0.14 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 3d4w s GLU 73 CO 0.04 0.35 0.04 0.08 0.02 0.00 0.00 175.26 175.78 3d4w s VAL 74 N -0.76 4.63 -0.27 2.63 1.01 0.44 -1.29 120.40 126.78 3d4w s VAL 74 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3d4w s VAL 74 Cb -0.08 -3.02 0.08 0.00 0.00 0.00 0.00 36.38 33.36 3d4w s VAL 74 CO 0.01 0.54 0.05 -0.70 0.00 0.00 0.00 175.10 175.01 3d4w s GLU 75 N -0.32 0.89 0.51 2.72 2.12 -0.21 -0.26 118.70 124.15 3d4w s GLU 75 Ca 0.08 -0.95 -0.21 0.00 0.36 0.00 0.00 54.97 54.25 3d4w s GLU 75 Cb -0.12 -2.19 -0.06 0.00 0.26 0.00 0.00 34.13 32.02 3d4w s GLU 75 CO 0.02 -0.84 1.14 -0.06 -0.54 0.00 0.00 175.26 174.98 3d4w s PHE 76 N 1.60 2.74 0.16 5.30 0.08 -1.26 -1.04 117.98 125.56 3d4w s PHE 76 Ca 0.05 1.54 -0.00 0.00 0.12 0.00 0.00 56.93 58.63 3d4w s PHE 76 Cb -0.18 -3.33 0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3d4w s PHE 76 CO -0.17 -1.56 0.22 -3.47 -0.10 0.00 0.00 175.22 170.14 3d4w n ASP 77 N -1.00 0.25 -0.17 1.36 -0.08 -1.26 -4.59 116.55 111.06 3d4w n ASP 77 Ca 0.10 -1.22 0.13 0.00 -1.51 0.00 0.00 54.79 52.29 3d4w n ASP 77 Cb 0.50 -0.15 0.48 0.00 2.34 0.00 0.00 41.12 44.29 3d4w n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3d4w n LYS 78 N -1.42 0.70 0.00 -0.67 2.85 -1.26 -4.89 118.16 113.47 3d4w n LYS 78 Ca 0.04 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 56.96 3d4w n LYS 78 Cb 0.13 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 3d4w n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d4w n GLY 79 N 1.33 1.88 3.73 2.58 0.00 -1.26 -4.95 105.19 108.49 3d4w n GLY 79 Ca 0.13 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3d4w n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d4w s GLN 80 N 3.92 4.20 0.00 1.61 2.00 -0.89 -4.93 119.66 125.57 3d4w s GLN 80 Ca 0.00 2.41 0.26 0.00 -2.00 0.00 0.00 55.36 56.02 3d4w s GLN 80 Cb 0.00 -3.11 0.65 0.00 0.80 0.00 0.00 33.01 31.35 3d4w s GLN 80 CO 0.00 -0.58 1.51 0.54 -0.50 0.00 0.00 175.29 176.26 3d4w n ARG 81 N 3.31 0.25 -4.01 1.67 1.74 -1.26 -4.79 116.66 113.56 3d4w n ARG 81 Ca 0.11 -0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 3d4w n ARG 81 Cb 0.38 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 3d4w n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d4w s THR 82 N -2.85 0.29 0.71 0.55 -4.23 -1.26 -0.55 115.64 108.30 3d4w s THR 82 Ca 0.16 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3d4w s THR 82 Cb 0.18 -0.39 0.14 0.00 1.34 0.00 0.00 72.50 73.77 3d4w s THR 82 CO 0.63 -0.42 0.97 -0.90 -0.54 0.00 0.00 174.62 174.37 3d4w n ASP 83 N 1.63 1.30 0.29 3.99 5.68 -0.10 -4.91 116.55 124.43 3d4w n ASP 83 Ca -0.23 -2.10 0.19 0.00 -0.50 0.00 0.00 54.79 52.16 3d4w n ASP 83 Cb 0.55 -0.63 0.96 0.00 -1.14 0.00 0.00 41.12 40.86 3d4w n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3d4w h LYS 84 N 0.00 0.00 -0.01 0.11 2.10 -2.02 -0.47 116.57 116.29 3d4w h LYS 84 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3d4w h LYS 84 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3d4w h LYS 84 CO 0.34 0.00 -0.05 0.66 -2.00 0.00 0.00 179.45 178.41 3d4w n TYR 85 N -2.95 0.00 -0.87 0.07 4.01 -1.26 -4.92 117.16 111.24 3d4w n TYR 85 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3d4w n TYR 85 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3d4w n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d4w n GLY 86 N 1.17 0.56 3.77 2.72 0.00 -0.18 -5.05 105.19 108.17 3d4w n GLY 86 Ca 0.19 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3d4w n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d4w s ARG 87 N -0.15 4.57 0.48 1.61 0.52 -1.26 -4.77 118.95 119.95 3d4w s ARG 87 Ca 0.00 1.17 -0.24 0.00 -0.52 0.00 0.00 55.73 56.14 3d4w s ARG 87 Cb 0.00 -3.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.13 3d4w s ARG 87 CO 0.00 0.55 1.30 0.20 0.02 0.00 0.00 175.30 177.38 3d4w s GLY 88 N -1.08 2.87 -0.25 -3.53 0.00 -0.07 -0.93 107.32 104.34 3d4w s GLY 88 Ca 0.36 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.31 3d4w s GLY 88 CO 0.26 1.75 -0.09 1.08 0.00 0.00 0.00 173.10 176.11 3d4w s LEU 89 N -3.02 3.25 0.20 0.66 1.43 0.29 0.00 118.68 121.50 3d4w s LEU 89 Ca 0.64 -1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3d4w s LEU 89 Cb -0.37 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3d4w s LEU 89 CO 0.46 -0.15 0.51 0.00 0.23 0.00 0.00 176.35 177.39 3d4w s ALA 90 N 1.23 -0.81 -0.06 4.21 0.00 -1.12 -4.48 121.76 120.73 3d4w s ALA 90 Ca -0.03 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.39 3d4w s ALA 90 Cb -0.18 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 3d4w s ALA 90 CO -0.05 -0.81 0.55 0.71 0.00 0.00 0.00 175.76 176.16 3d4w s TYR 91 N -3.90 3.60 -0.10 0.00 2.02 -0.21 -1.45 117.35 117.33 3d4w s TYR 91 Ca 0.11 1.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.90 3d4w s TYR 91 Cb -0.01 -2.60 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 3d4w s TYR 91 CO -0.01 0.26 -0.15 0.42 -1.57 0.00 0.00 175.55 174.50 3d4w s ILE 92 N 0.23 2.92 -0.11 2.71 -1.09 -1.26 -1.04 121.20 123.56 3d4w s ILE 92 Ca 0.30 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3d4w s ILE 92 Cb -0.17 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3d4w s ILE 92 CO 0.14 0.55 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.91 3d4w s TYR 93 N -0.04 2.67 -0.33 3.97 2.02 -0.41 0.47 117.35 125.70 3d4w s TYR 93 Ca -0.04 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 55.81 3d4w s TYR 93 Cb -0.14 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 3d4w s TYR 93 CO 0.04 -0.28 0.10 0.00 -1.57 0.00 0.00 175.55 173.84 3d4w s ALA 94 N 0.24 3.05 -1.54 3.71 0.00 -0.17 -1.37 121.76 125.67 3d4w s ALA 94 Ca -0.12 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.07 3d4w s ALA 94 Cb -0.16 -2.25 0.07 0.00 0.00 0.00 0.00 23.12 20.78 3d4w s ALA 94 CO 0.07 -1.25 0.53 -0.25 0.00 0.00 0.00 175.76 174.85 3d4w n ASP 95 N 4.82 -1.43 0.00 0.00 8.00 -0.03 -1.24 116.55 126.68 3d4w n ASP 95 Ca -0.13 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3d4w n ASP 95 Cb 0.45 -2.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 3d4w n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4w n GLY 96 N -1.80 1.73 3.70 0.44 0.00 -1.26 -5.02 105.19 102.97 3d4w n GLY 96 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3d4w n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4w s LYS 97 N -0.14 4.16 -0.11 1.61 1.02 -0.37 -5.02 119.74 120.89 3d4w s LYS 97 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.52 3d4w s LYS 97 Cb 0.00 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 3d4w s LYS 97 CO 0.00 0.20 1.19 1.41 -0.92 0.00 0.00 175.35 177.23 3d4w s MET 98 N 0.65 4.31 0.20 1.68 -2.45 -1.26 -1.00 119.30 121.43 3d4w s MET 98 Ca 0.09 1.62 -0.10 0.00 -1.25 0.00 0.00 55.69 56.06 3d4w s MET 98 Cb -0.12 -3.63 0.13 0.00 1.25 0.00 0.00 34.83 32.46 3d4w s MET 98 CO 0.01 -0.53 1.81 0.28 1.05 0.00 0.00 175.02 177.64 3d4w h VAL 99 N 5.21 1.22 -0.66 10.11 2.07 -0.35 -2.29 116.25 131.56 3d4w h VAL 99 Ca -0.30 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 66.74 3d4w h VAL 99 Cb 1.13 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3d4w h VAL 99 CO 0.91 0.25 0.30 0.78 0.02 0.00 0.00 177.57 179.83 3d4w h ASN 100 N 0.99 0.37 -0.24 0.57 4.21 -1.91 -1.68 115.58 117.90 3d4w h ASN 100 Ca 0.25 0.06 -0.10 0.00 1.21 0.00 0.00 56.30 57.72 3d4w h ASN 100 Cb 0.05 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3d4w h ASN 100 CO -0.04 0.22 -0.24 -0.08 -1.29 0.00 0.00 177.43 176.00 3d4w h GLU 101 N 0.53 0.58 -0.97 0.81 4.81 -1.87 -2.88 114.58 115.59 3d4w h GLU 101 Ca 0.32 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3d4w h GLU 101 Cb 0.35 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3d4w h GLU 101 CO -0.27 0.90 0.64 0.00 -0.73 0.00 0.00 179.01 179.56 3d4w h ALA 102 N 0.67 1.24 -0.54 2.92 0.00 -1.08 0.17 119.26 122.63 3d4w h ALA 102 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3d4w h ALA 102 Cb 0.80 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3d4w h ALA 102 CO 0.06 0.61 0.19 -0.07 0.00 0.00 0.00 179.25 180.04 3d4w h LEU 103 N 1.30 0.78 -0.48 0.00 3.38 -1.23 -2.00 115.31 117.06 3d4w h LEU 103 Ca 0.36 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3d4w h LEU 103 Cb -0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3d4w h LEU 103 CO -0.08 0.76 -0.24 0.58 0.09 0.00 0.00 178.44 179.54 3d4w h VAL 104 N 0.75 1.27 -0.11 1.22 2.07 -1.23 -1.52 116.25 118.70 3d4w h VAL 104 Ca 0.18 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 3d4w h VAL 104 Cb 0.25 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3d4w h VAL 104 CO -0.01 0.49 -0.08 -0.09 0.02 0.00 0.00 177.57 177.89 3d4w h ARG 105 N 0.84 0.16 -0.01 1.57 9.65 -0.48 -1.75 114.38 124.37 3d4w h ARG 105 Ca 0.10 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3d4w h ARG 105 Cb 0.83 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 3d4w h ARG 105 CO 0.07 0.26 -0.03 1.04 2.80 0.00 0.00 179.97 184.10 3d4w n GLN 106 N -4.35 1.16 -1.76 0.20 1.13 -0.77 -4.27 117.38 108.72 3d4w n GLN 106 Ca -0.01 -0.43 -0.12 0.00 -1.94 0.00 0.00 57.00 54.50 3d4w n GLN 106 Cb 0.21 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 3d4w n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d4w n GLY 107 N 1.14 0.66 0.08 1.08 0.00 -0.66 -4.49 105.19 103.00 3d4w n GLY 107 Ca 0.19 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3d4w n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d4w n LEU 108 N -1.57 0.66 -3.94 0.99 4.77 -0.59 -1.45 117.00 115.87 3d4w n LEU 108 Ca -0.13 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3d4w n LEU 108 Cb 0.50 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 3d4w n LEU 108 CO 0.18 -0.10 -0.31 -0.13 -1.33 0.00 0.00 177.39 175.70 3d4w s ARG 109 N -3.33 0.33 0.42 3.23 1.81 -1.17 -4.91 118.95 115.33 3d4w s ARG 109 Ca -0.00 -0.51 0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3d4w s ARG 109 Cb 0.12 0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.74 3d4w s ARG 109 CO 0.80 -0.06 0.61 -1.59 -0.68 0.00 0.00 175.30 174.38 3d4w s LYS 110 N -1.34 3.06 0.14 3.54 -2.85 0.03 -4.28 119.74 118.05 3d4w s LYS 110 Ca -0.15 -0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 3d4w s LYS 110 Cb -0.09 -2.64 -0.07 0.00 -2.06 0.00 0.00 37.83 32.97 3d4w s LYS 110 CO -0.00 -0.19 1.23 0.08 0.10 0.00 0.00 175.35 176.57 3d4w s VAL 111 N -2.45 3.64 0.49 1.79 1.01 -1.26 -1.29 120.40 122.33 3d4w s VAL 111 Ca 0.48 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 3d4w s VAL 111 Cb -0.10 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3d4w s VAL 111 CO 0.36 0.16 0.76 0.00 0.00 0.00 0.00 175.10 176.37 3d4w s ALA 112 N 0.45 3.51 0.51 5.51 0.00 0.21 -4.78 121.76 127.17 3d4w s ALA 112 Ca 0.56 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 3d4w s ALA 112 Cb -0.33 -2.40 -0.07 0.00 0.00 0.00 0.00 23.12 20.32 3d4w s ALA 112 CO 0.34 -0.45 1.13 0.98 0.00 0.00 0.00 175.76 177.76 3d4w n TYR 113 N -2.24 1.50 -2.26 0.00 9.36 -1.26 -4.86 117.16 117.39 3d4w n TYR 113 Ca 0.01 0.47 -0.42 0.00 3.32 0.00 0.00 57.90 61.29 3d4w n TYR 113 Cb 0.57 -2.26 -0.03 0.00 -0.63 0.00 0.00 39.34 36.99 3d4w n TYR 113 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3d4w s VAL 114 N -1.35 3.55 -0.26 2.97 1.01 -1.26 -4.84 120.40 120.22 3d4w s VAL 114 Ca 0.69 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 3d4w s VAL 114 Cb -0.47 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3d4w s VAL 114 CO 0.52 0.09 0.08 -0.47 0.00 0.00 0.00 175.10 175.32 3d4w s TYR 115 N 1.02 3.10 -1.36 5.22 5.04 -1.26 -4.77 117.35 124.33 3d4w s TYR 115 Ca 0.62 -0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 54.57 3d4w s TYR 115 Cb -0.34 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.73 3d4w s TYR 115 CO 0.30 -0.41 0.41 1.63 -1.34 0.00 0.00 175.55 176.14 3d4w n LYS 116 N 4.92 -1.34 -0.91 4.97 5.02 -1.26 -2.18 118.16 127.37 3d4w n LYS 116 Ca -0.16 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3d4w n LYS 116 Cb 0.51 -3.57 0.00 0.00 -0.02 0.00 0.00 35.03 31.94 3d4w n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4w n GLY 117 N -2.17 0.79 3.19 0.72 0.00 -1.26 -2.10 105.19 104.35 3d4w n GLY 117 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3d4w n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4w n ASN 118 N 0.00 5.03 -0.07 1.61 3.02 -0.93 -4.03 115.26 119.90 3d4w n ASN 118 Ca 0.00 -3.01 0.03 0.00 -0.03 0.00 0.00 54.58 51.57 3d4w n ASN 118 Cb 0.00 -1.56 0.04 0.00 -0.61 0.00 0.00 39.78 37.64 3d4w n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3d4w n ASN 119 N 5.34 1.54 -0.17 6.41 0.23 -1.26 -4.57 115.26 122.78 3d4w n ASN 119 Ca 0.41 -2.10 -0.05 0.00 -0.53 0.00 0.00 54.58 52.31 3d4w n ASN 119 Cb 0.40 -0.13 0.05 0.00 -2.08 0.00 0.00 39.78 38.02 3d4w n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3d4w h THR 120 N 1.22 0.98 -0.71 5.53 2.02 -2.02 -2.30 112.91 117.63 3d4w h THR 120 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3d4w h THR 120 Cb 0.81 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3d4w h THR 120 CO 0.00 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.40 3d4w n HIS 121 N -4.86 1.20 -0.14 3.16 8.25 -1.26 -4.55 115.22 117.03 3d4w n HIS 121 Ca 0.04 -0.54 -0.03 0.00 -0.26 0.00 0.00 57.72 56.92 3d4w n HIS 121 Cb 0.12 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.17 3d4w n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3d4w h GLU 122 N 4.27 0.14 -0.27 -0.41 4.81 -1.75 0.49 114.58 121.87 3d4w h GLU 122 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3d4w h GLU 122 Cb 1.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3d4w h GLU 122 CO 0.10 0.09 -0.32 1.96 -0.73 0.00 0.00 179.01 180.11 3d4w h GLN 123 N 0.14 0.56 -0.30 1.92 1.08 -1.80 0.59 115.11 117.31 3d4w h GLN 123 Ca 0.22 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3d4w h GLN 123 Cb 0.31 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3d4w h GLN 123 CO -0.34 0.81 0.07 1.25 -0.95 0.00 0.00 178.83 179.67 3d4w h LEU 124 N 0.48 0.04 -0.63 1.46 5.85 -1.74 -1.15 115.31 119.62 3d4w h LEU 124 Ca 0.06 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3d4w h LEU 124 Cb 0.79 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3d4w h LEU 124 CO 0.06 0.06 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.88 3d4w h LEU 125 N 0.19 0.80 -1.41 2.25 3.38 -0.74 -2.58 115.31 117.20 3d4w h LEU 125 Ca 0.14 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3d4w h LEU 125 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3d4w h LEU 125 CO -0.17 1.03 0.42 0.03 0.09 0.00 0.00 178.44 179.83 3d4w h ARG 126 N 0.67 0.76 -0.29 1.13 2.47 -0.55 -0.69 114.38 117.88 3d4w h ARG 126 Ca 0.08 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3d4w h ARG 126 Cb 0.80 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3d4w h ARG 126 CO 0.07 0.50 0.10 -0.22 0.56 0.00 0.00 179.97 180.98 3d4w h LYS 127 N 0.79 0.44 -0.67 0.04 3.64 -0.96 -0.55 116.57 119.28 3d4w h LYS 127 Ca 0.25 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3d4w h LYS 127 Cb 0.02 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 3d4w h LYS 127 CO -0.06 0.48 0.41 0.00 -2.27 0.00 0.00 179.45 178.00 3d4w h ALA 128 N 0.94 0.88 -0.45 5.00 0.00 -1.16 -2.91 119.26 121.55 3d4w h ALA 128 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3d4w h ALA 128 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3d4w h ALA 128 CO -0.01 0.15 0.13 1.49 0.00 0.00 0.00 179.25 181.01 3d4w h GLU 129 N 0.79 0.72 -0.83 0.00 4.81 -0.93 -1.91 114.58 117.22 3d4w h GLU 129 Ca 0.28 -0.16 0.12 0.00 -0.13 0.00 0.00 59.36 59.47 3d4w h GLU 129 Cb 0.06 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.26 3d4w h GLU 129 CO -0.13 0.70 0.44 0.00 -0.73 0.00 0.00 179.01 179.30 3d4w h ALA 130 N 0.98 1.22 -0.21 2.92 0.00 -1.00 -0.03 119.26 123.14 3d4w h ALA 130 Ca 0.14 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 3d4w h ALA 130 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3d4w h ALA 130 CO -0.00 -0.02 -0.66 0.37 0.00 0.00 0.00 179.25 178.94 3d4w h GLN 131 N 0.68 0.79 -0.32 0.00 5.75 -1.32 -0.72 115.11 119.98 3d4w h GLN 131 Ca 0.43 -0.57 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 3d4w h GLN 131 Cb 0.53 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 3d4w h GLN 131 CO -0.32 1.19 0.01 0.00 -2.65 0.00 0.00 178.83 177.06 3d4w h ALA 132 N 0.67 1.43 -0.03 3.38 0.00 -0.92 -1.58 119.26 122.22 3d4w h ALA 132 Ca -0.02 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 3d4w h ALA 132 Cb 1.27 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.94 3d4w h ALA 132 CO 0.14 0.40 -0.99 -0.22 0.00 0.00 0.00 179.25 178.58 3d4w h LYS 133 N 0.46 0.69 -0.73 0.00 3.64 -0.80 -1.30 116.57 118.55 3d4w h LYS 133 Ca 0.10 -0.71 -0.02 0.00 -1.27 0.00 0.00 60.65 58.75 3d4w h LYS 133 Cb 0.29 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3d4w h LYS 133 CO 0.01 1.30 0.38 -0.22 -2.27 0.00 0.00 179.45 178.64 3d4w h LYS 134 N 0.41 1.02 -0.01 1.90 3.64 -0.96 -1.75 116.57 120.82 3d4w h LYS 134 Ca -0.11 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3d4w h LYS 134 Cb 1.64 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 3d4w h LYS 134 CO 0.19 0.76 -0.06 0.39 -2.27 0.00 0.00 179.45 178.46 3d4w n GLU 135 N -4.35 1.00 -3.25 1.90 1.02 -0.61 -4.93 120.64 111.42 3d4w n GLU 135 Ca 0.07 -0.36 -0.23 0.00 -0.02 0.00 0.00 57.16 56.62 3d4w n GLU 135 Cb 0.11 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.09 3d4w n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d4w n LYS 136 N -0.68 -5.87 -2.63 3.49 4.76 -0.64 -4.94 118.16 111.65 3d4w n LYS 136 Ca 0.18 0.86 -0.41 0.00 -2.87 0.00 0.00 58.31 56.07 3d4w n LYS 136 Cb 0.26 -5.79 -0.04 0.00 -1.84 0.00 0.00 35.03 27.62 3d4w n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d4w s LEU 137 N -6.91 4.47 0.00 -0.35 1.43 -0.58 -3.22 118.68 113.52 3d4w s LEU 137 Ca 0.41 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3d4w s LEU 137 Cb -0.18 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3d4w s LEU 137 CO 0.51 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.51 3d4w n ASN 138 N 2.86 0.00 0.27 2.29 3.02 -1.26 -0.03 115.26 122.40 3d4w n ASN 138 Ca 0.03 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.76 3d4w n ASN 138 Cb 0.48 0.00 0.85 0.00 -0.61 0.00 0.00 39.78 40.50 3d4w n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3d4w h ILE 139 N 0.00 0.00 -0.60 2.41 3.07 -1.57 -1.00 117.51 119.82 3d4w h ILE 139 Ca 0.00 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.18 3d4w h ILE 139 Cb 0.00 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 3d4w h ILE 139 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 3d4w n TRP 140 N -2.88 0.93 0.23 0.16 7.02 0.95 -4.53 117.44 119.32 3d4w n TRP 140 Ca -0.01 -0.43 0.11 0.00 -1.02 0.00 0.00 57.50 56.15 3d4w n TRP 140 Cb 0.18 -0.05 0.46 0.00 -2.42 0.00 0.00 31.31 29.47 3d4w n TRP 140 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3d4w h SER 141 N 3.56 0.00 -0.15 -0.99 4.64 -1.14 -3.25 113.55 116.20 3d4w h SER 141 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d4w h SER 141 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3d4w h SER 141 CO 0.05 0.19 0.00 -0.62 -0.87 0.00 0.00 176.83 175.58 3d4w n GLU 142 N -3.33 2.19 -0.75 4.77 1.02 -1.26 -5.02 120.64 118.26 3d4w n GLU 142 Ca 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 3d4w n GLU 142 Cb 0.43 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3d4w n GLU 142 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06