#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6w n LEU 4 N 0.00 4.58 -0.31 -1.96 4.77 -1.26 -4.90 117.00 117.92 1j6w n LEU 4 Ca 0.00 1.20 0.08 0.00 -0.03 0.00 0.00 56.01 57.26 1j6w n LEU 4 Cb 0.00 -1.59 0.24 0.00 -2.33 0.00 0.00 43.42 39.74 1j6w n LEU 4 CO 0.00 -0.05 1.12 0.44 -1.33 0.00 0.00 177.39 177.57 1j6w h ASP 5 N 2.72 0.57 -0.57 -1.43 3.45 -2.01 -1.17 116.42 117.98 1j6w h ASP 5 Ca -0.50 0.09 0.16 0.00 0.43 0.00 0.00 57.03 57.22 1j6w h ASP 5 Cb 1.26 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 1j6w h ASP 5 CO 0.63 0.23 0.41 0.28 -1.57 0.00 0.00 179.24 179.22 1j6w h SER 6 N 0.65 0.01 0.80 6.45 0.02 -1.96 -0.59 113.55 118.93 1j6w h SER 6 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1j6w h SER 6 Cb 0.70 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1j6w h SER 6 CO -0.37 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 175.82 1j6w n PHE 7 N -4.37 0.00 -0.28 3.45 0.99 -0.44 -3.58 117.46 113.23 1j6w n PHE 7 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.67 1j6w n PHE 7 Cb 0.63 -0.40 0.32 0.00 -1.00 0.00 0.00 39.48 39.03 1j6w n PHE 7 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1j6w n LYS 8 N -1.40 2.67 -5.13 -1.08 5.02 -0.23 -4.90 118.16 113.10 1j6w n LYS 8 Ca 0.10 -2.60 -0.29 0.00 -2.02 0.00 0.00 58.31 53.50 1j6w n LYS 8 Cb 0.29 -1.56 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1j6w n LYS 8 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j6w s VAL 9 N -1.05 1.82 -0.59 -0.18 0.11 -1.23 -4.16 120.40 115.11 1j6w s VAL 9 Ca 0.48 -0.97 -0.28 0.00 -2.93 0.00 0.00 61.98 58.28 1j6w s VAL 9 Cb 0.25 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 1j6w s VAL 9 CO 0.33 0.51 1.20 -0.62 -3.33 0.00 0.00 175.10 173.19 1j6w s ASP 10 N -0.37 6.43 0.58 3.54 3.68 0.24 -4.90 116.67 125.86 1j6w s ASP 10 Ca 0.04 0.08 0.35 0.00 2.13 0.00 0.00 52.55 55.15 1j6w s ASP 10 Cb -0.10 -2.55 1.76 0.00 -1.45 0.00 0.00 42.92 40.57 1j6w s ASP 10 CO 0.01 -1.51 2.15 0.45 0.13 0.00 0.00 175.17 176.40 1j6w h HIS 11 N 9.59 0.00 0.00 -5.34 3.86 -1.93 -2.22 115.15 119.11 1j6w h HIS 11 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1j6w h HIS 11 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1j6w h HIS 11 CO 1.04 0.04 0.00 0.25 0.86 0.00 0.00 177.93 180.12 1j6w n THR 12 N -3.28 0.72 -3.22 2.45 -2.24 -1.26 -4.62 114.28 102.83 1j6w n THR 12 Ca -0.01 0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.39 1j6w n THR 12 Cb 0.20 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1j6w n THR 12 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j6w n LYS 13 N -2.15 3.87 -3.89 -0.78 5.02 -0.84 -5.10 118.16 114.30 1j6w n LYS 13 Ca 0.04 -4.50 -0.09 0.00 -2.02 0.00 0.00 58.31 51.74 1j6w n LYS 13 Cb 0.29 -2.52 -0.08 0.00 -0.02 0.00 0.00 35.03 32.70 1j6w n LYS 13 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1j6w s ASN 15 N -0.02 0.17 -0.19 4.39 0.01 -1.26 -4.96 114.94 113.07 1j6w s ASN 15 Ca 0.31 -0.69 -0.25 0.00 -0.71 0.00 0.00 52.86 51.52 1j6w s ASN 15 Cb -0.04 0.32 0.06 0.00 0.41 0.00 0.00 41.25 42.00 1j6w s ASN 15 CO -0.01 -0.70 0.66 0.00 -1.51 0.00 0.00 177.10 175.54 1j6w s ALA 16 N -3.80 -1.65 0.34 0.60 0.00 -1.26 -4.22 121.76 111.76 1j6w s ALA 16 Ca 0.05 1.67 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 1j6w s ALA 16 Cb 0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 1j6w s ALA 16 CO -0.11 -0.33 1.20 -2.14 0.00 0.00 0.00 175.76 174.38 1j6w s PRO 17 N -0.14 4.32 0.04 0.00 0.02 -1.26 -4.78 135.00 133.20 1j6w s PRO 17 Ca -0.04 1.96 -0.27 0.00 0.02 0.00 0.00 61.00 62.68 1j6w s PRO 17 Cb -0.03 -2.95 0.09 0.00 0.02 0.00 0.00 34.50 31.62 1j6w s PRO 17 CO 0.04 -0.13 0.76 0.00 -0.33 0.00 0.00 177.00 177.33 1j6w s ALA 18 N -1.25 -1.74 -0.09 -1.55 0.00 -0.49 -0.17 121.76 116.48 1j6w s ALA 18 Ca 0.51 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 53.33 1j6w s ALA 18 Cb -0.34 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1j6w s ALA 18 CO 0.44 -0.65 0.04 0.08 0.00 0.00 0.00 175.76 175.67 1j6w s VAL 19 N -2.97 4.58 -0.01 0.00 1.01 -0.89 -1.29 120.40 120.83 1j6w s VAL 19 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1j6w s VAL 19 Cb -0.01 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1j6w s VAL 19 CO -0.07 0.59 -0.01 -0.60 0.00 0.00 0.00 175.10 175.00 1j6w s ARG 20 N -0.98 0.16 -0.47 2.72 3.52 -0.71 -0.98 118.95 122.21 1j6w s ARG 20 Ca 0.14 -0.03 -0.25 0.00 -0.13 0.00 0.00 55.73 55.47 1j6w s ARG 20 Cb -0.11 -0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.11 1j6w s ARG 20 CO 0.03 0.00 0.89 0.42 -0.81 0.00 0.00 175.30 175.83 1j6w s ILE 21 N 0.17 4.51 0.08 4.11 1.01 -1.26 -1.01 121.20 128.82 1j6w s ILE 21 Ca -0.01 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.06 1j6w s ILE 21 Cb -0.03 -4.42 -0.19 0.00 0.01 0.00 0.00 42.46 37.83 1j6w s ILE 21 CO -0.00 -0.85 1.25 0.00 0.00 0.00 0.00 174.94 175.34 1j6w h ALA 22 N 9.09 0.23 -1.89 9.38 0.00 -1.40 -3.44 119.26 131.22 1j6w h ALA 22 Ca -0.25 -0.61 0.11 0.00 0.00 0.00 0.00 54.91 54.17 1j6w h ALA 22 Cb 1.08 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.69 1j6w h ALA 22 CO 1.02 0.62 0.55 -1.59 0.00 0.00 0.00 179.25 179.84 1j6w s LYS 23 N -3.59 0.67 0.37 0.00 -2.85 -1.09 -5.00 119.74 108.24 1j6w s LYS 23 Ca -0.11 -0.09 0.03 0.00 -1.00 0.00 0.00 55.97 54.81 1j6w s LYS 23 Cb 0.07 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1j6w s LYS 23 CO 0.89 -0.26 0.09 0.95 0.10 0.00 0.00 175.35 177.12 1j6w s THR 24 N -2.19 0.91 -0.10 3.79 -4.23 -1.26 -0.75 115.64 111.80 1j6w s THR 24 Ca 0.03 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 1j6w s THR 24 Cb -0.01 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1j6w s THR 24 CO -0.04 0.00 0.24 -0.76 -0.54 0.00 0.00 174.62 173.52 1j6w s LEU 26 N -3.55 0.61 0.88 4.79 1.43 -1.26 -4.98 118.68 116.61 1j6w s LEU 26 Ca 0.30 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 1j6w s LEU 26 Cb 0.06 0.75 0.13 0.00 0.03 0.00 0.00 46.19 47.15 1j6w s LEU 26 CO 0.14 -0.14 1.19 0.42 0.23 0.00 0.00 176.35 178.19 1j6w s THR 27 N 0.94 1.98 0.24 5.49 -4.23 0.07 -4.87 115.64 115.27 1j6w s THR 27 Ca -0.07 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1j6w s THR 27 Cb -0.08 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 71.07 1j6w s THR 27 CO -0.06 0.00 1.74 -0.65 -0.54 0.00 0.00 174.62 175.11 1j6w h PRO 28 N -1.36 0.49 0.00 3.99 0.11 -2.06 -0.08 132.00 133.07 1j6w h PRO 28 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j6w h PRO 28 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j6w h PRO 28 CO 0.58 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 1j6w n LYS 29 N -4.96 0.14 0.00 1.05 5.02 -1.26 -4.89 118.16 113.26 1j6w n LYS 29 Ca 0.14 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1j6w n LYS 29 Cb 0.40 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1j6w n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j6w n GLY 30 N 0.61 1.28 3.88 0.72 0.00 -0.04 -5.11 105.19 106.52 1j6w n GLY 30 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1j6w n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j6w s ASP 31 N -2.00 6.49 -0.07 1.61 -0.00 -1.26 -4.75 116.67 116.69 1j6w s ASP 31 Ca 0.00 1.09 -0.13 0.00 -0.00 0.00 0.00 52.55 53.51 1j6w s ASP 31 Cb 0.00 -2.31 -0.05 0.00 -0.00 0.00 0.00 42.92 40.56 1j6w s ASP 31 CO 0.00 -0.41 0.33 0.20 -0.00 0.00 0.00 175.17 175.29 1j6w s ASN 32 N -3.25 6.62 -0.06 0.27 0.01 -1.26 -0.76 114.94 116.52 1j6w s ASN 32 Ca 0.51 0.74 0.03 0.00 -0.71 0.00 0.00 52.86 53.42 1j6w s ASN 32 Cb -0.10 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.37 1j6w s ASN 32 CO 0.33 0.27 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.43 1j6w s ILE 33 N -0.61 1.13 -0.04 0.60 1.01 -1.26 -1.39 121.20 120.64 1j6w s ILE 33 Ca 0.20 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1j6w s ILE 33 Cb -0.15 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1j6w s ILE 33 CO 0.09 0.35 -0.17 -0.89 0.00 0.00 0.00 174.94 174.32 1j6w s THR 34 N 0.50 1.39 -0.18 2.92 2.01 -0.46 -4.24 115.64 117.58 1j6w s THR 34 Ca -0.11 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1j6w s THR 34 Cb -0.14 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1j6w s THR 34 CO 0.03 0.40 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 1j6w s VAL 35 N 0.02 3.24 -0.04 3.82 1.01 0.07 -1.13 120.40 127.39 1j6w s VAL 35 Ca -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1j6w s VAL 35 Cb -0.11 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1j6w s VAL 35 CO 0.02 0.47 0.01 -0.36 0.00 0.00 0.00 175.10 175.24 1j6w s PHE 36 N 0.94 3.12 -0.38 5.22 0.08 -1.26 -1.00 117.98 124.70 1j6w s PHE 36 Ca -0.01 0.14 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1j6w s PHE 36 Cb -0.15 -1.73 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1j6w s PHE 36 CO -0.00 0.47 0.21 0.34 -0.10 0.00 0.00 175.22 176.13 1j6w s ASP 37 N -1.26 5.65 -0.67 1.36 -1.08 -0.18 -4.21 116.67 116.28 1j6w s ASP 37 Ca 0.17 -1.17 -0.16 0.00 -0.52 0.00 0.00 52.55 50.87 1j6w s ASP 37 Cb -0.11 -1.99 0.16 0.00 -1.46 0.00 0.00 42.92 39.51 1j6w s ASP 37 CO 0.07 -0.42 0.65 -0.76 0.52 0.00 0.00 175.17 175.22 1j6w s LEU 38 N 1.49 6.24 -0.48 -1.34 1.43 0.71 -1.74 118.68 124.99 1j6w s LEU 38 Ca 0.02 -2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 50.82 1j6w s LEU 38 Cb -0.20 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1j6w s LEU 38 CO 0.05 -0.80 0.79 -0.60 0.23 0.00 0.00 176.35 176.01 1j6w s ARG 39 N 1.29 3.33 0.02 1.70 6.06 -0.41 -0.93 118.95 130.00 1j6w s ARG 39 Ca 0.11 -0.30 -0.03 0.00 -2.50 0.00 0.00 55.73 53.01 1j6w s ARG 39 Cb -0.21 -4.00 -0.28 0.00 0.06 0.00 0.00 34.95 30.53 1j6w s ARG 39 CO -0.01 -1.22 0.92 0.74 -2.50 0.00 0.00 175.30 173.22 1j6w h PHE 40 N 9.06 0.44 -3.82 5.12 0.05 -1.21 -1.29 116.94 125.28 1j6w h PHE 40 Ca -0.26 -0.32 -0.68 0.00 3.82 0.00 0.00 57.97 60.53 1j6w h PHE 40 Cb 1.08 -0.02 -0.20 0.00 2.00 0.00 0.00 35.95 38.82 1j6w h PHE 40 CO 0.81 1.35 -0.82 0.00 -0.18 0.00 0.00 178.31 179.47 1j6w s ILE 42 N -1.08 3.37 0.02 0.00 -1.09 -1.26 -4.83 121.20 116.34 1j6w s ILE 42 Ca 0.16 0.66 -0.36 0.00 -2.23 0.00 0.00 60.65 58.89 1j6w s ILE 42 Cb -0.10 -3.43 -0.14 0.00 -1.58 0.00 0.00 42.46 37.20 1j6w s ILE 42 CO 0.08 -0.03 1.61 -2.65 -1.23 0.00 0.00 174.94 172.73 1j6w n PRO 43 N 6.24 1.75 -1.66 2.79 -0.02 -1.26 -1.98 135.00 140.86 1j6w n PRO 43 Ca 0.16 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 62.12 1j6w n PRO 43 Cb 0.42 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1j6w n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j6w n ASN 44 N 4.22 -4.91 0.00 2.55 3.02 -1.26 -4.73 115.26 114.14 1j6w n ASN 44 Ca 0.20 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1j6w n ASN 44 Cb 0.24 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 1j6w n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j6w n LYS 45 N -2.54 1.24 -4.12 3.52 4.76 -0.88 -5.08 118.16 115.07 1j6w n LYS 45 Ca -0.17 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.16 1j6w n LYS 45 Cb 0.56 -0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.94 1j6w n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1j6w s GLU 46 N -1.39 0.70 -0.10 1.97 2.02 -0.84 -4.99 118.70 116.07 1j6w s GLU 46 Ca 0.00 -1.09 -0.25 0.00 0.02 0.00 0.00 54.97 53.65 1j6w s GLU 46 Cb 0.00 -0.24 0.06 0.00 0.10 0.00 0.00 34.13 34.05 1j6w s GLU 46 CO 0.00 0.01 0.60 -1.50 0.02 0.00 0.00 175.26 174.39 1j6w s ILE 47 N -2.68 0.01 0.22 -1.63 2.07 -1.26 -4.60 121.20 113.33 1j6w s ILE 47 Ca 0.03 -0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.05 1j6w s ILE 47 Cb -0.01 -0.89 -0.08 0.00 0.13 0.00 0.00 42.46 41.61 1j6w s ILE 47 CO -0.03 -0.04 0.60 -0.76 -1.91 0.00 0.00 174.94 172.80 1j6w s LEU 48 N -0.75 4.23 0.58 8.50 1.02 -0.22 -5.04 118.68 126.99 1j6w s LEU 48 Ca -0.08 1.09 -0.18 0.00 0.02 0.00 0.00 54.13 54.98 1j6w s LEU 48 Cb -0.02 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.55 1j6w s LEU 48 CO 0.06 -0.02 1.09 -0.94 0.02 0.00 0.00 176.35 176.56 1j6w s SER 49 N -2.05 5.65 0.24 2.29 1.04 -1.26 -4.84 113.70 114.77 1j6w s SER 49 Ca 0.45 2.01 -0.07 0.00 0.48 0.00 0.00 55.95 58.82 1j6w s SER 49 Cb -0.13 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.70 1j6w s SER 49 CO 0.20 -1.26 1.90 -0.65 0.98 0.00 0.00 173.24 174.41 1j6w h PRO 50 N 0.76 1.15 0.03 4.02 0.11 -1.98 0.62 132.00 136.72 1j6w h PRO 50 Ca -0.48 -0.07 -0.26 0.00 0.11 0.00 0.00 66.00 65.29 1j6w h PRO 50 Cb 1.24 -0.26 0.02 0.00 0.11 0.00 0.00 31.00 32.11 1j6w h PRO 50 CO 0.56 0.76 -1.07 0.87 -0.21 0.00 0.00 178.00 178.91 1j6w h LYS 51 N 1.19 0.60 -0.59 1.05 1.57 -1.93 -2.89 116.57 115.57 1j6w h LYS 51 Ca 0.35 -0.69 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1j6w h LYS 51 Cb -0.05 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1j6w h LYS 51 CO -0.10 1.28 0.17 0.78 -0.57 0.00 0.00 179.45 181.01 1j6w h GLY 52 N 0.64 1.00 2.00 3.86 0.00 -1.70 -1.68 103.07 107.19 1j6w h GLY 52 Ca -0.13 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1j6w h GLY 52 CO 0.20 0.57 -0.34 1.19 0.00 0.00 0.00 176.54 178.16 1j6w h ILE 53 N 0.85 1.03 -0.09 2.60 2.10 -0.95 -0.69 117.51 122.37 1j6w h ILE 53 Ca 0.19 -1.27 -0.04 0.00 1.08 0.00 0.00 64.86 64.82 1j6w h ILE 53 Cb 0.31 1.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1j6w h ILE 53 CO -0.00 0.34 -0.09 -0.74 -1.08 0.00 0.00 178.15 176.57 1j6w h HIS 54 N 0.00 0.27 -0.54 2.19 2.76 -1.23 -0.63 115.15 117.98 1j6w h HIS 54 Ca -0.00 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 1j6w h HIS 54 Cb 0.70 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1j6w h HIS 54 CO 0.00 0.65 0.15 1.15 -1.30 0.00 0.00 177.93 178.58 1j6w h THR 55 N -0.19 1.24 -1.01 6.26 2.02 -1.11 -2.54 112.91 117.58 1j6w h THR 55 Ca 0.02 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1j6w h THR 55 Cb 0.60 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1j6w h THR 55 CO 0.02 0.31 0.67 0.25 0.37 0.00 0.00 175.52 177.14 1j6w h LEU 56 N 0.75 1.16 0.03 2.58 5.85 -1.14 -2.49 115.31 122.05 1j6w h LEU 56 Ca 0.17 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1j6w h LEU 56 Cb 0.31 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1j6w h LEU 56 CO -0.00 0.84 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.64 1j6w h GLU 57 N 1.37 -0.35 -0.02 1.25 4.81 -0.70 0.49 114.58 121.42 1j6w h GLU 57 Ca 0.37 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1j6w h GLU 57 Cb -0.16 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1j6w h GLU 57 CO -0.08 -0.23 -0.23 0.45 -0.73 0.00 0.00 179.01 178.19 1j6w h HIS 58 N -0.36 -0.60 0.30 0.92 3.86 -1.19 -0.98 115.15 117.09 1j6w h HIS 58 Ca 0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1j6w h HIS 58 Cb 0.43 0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1j6w h HIS 58 CO -0.25 -0.31 -0.15 -0.07 0.86 0.00 0.00 177.93 178.01 1j6w h LEU 59 N -0.35 -0.35 -0.70 2.43 3.38 -1.21 -3.12 115.31 115.39 1j6w h LEU 59 Ca 0.07 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1j6w h LEU 59 Cb 0.44 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1j6w h LEU 59 CO -0.22 -0.05 0.35 0.15 0.09 0.00 0.00 178.44 178.76 1j6w h PHE 60 N -0.66 0.62 -0.41 1.13 3.57 0.01 0.14 116.94 121.33 1j6w h PHE 60 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1j6w h PHE 60 Cb 0.46 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1j6w h PHE 60 CO 0.01 0.22 0.17 0.00 -2.23 0.00 0.00 178.31 176.48 1j6w h ALA 61 N 1.43 1.53 0.08 2.41 0.00 -1.24 -2.97 119.26 120.49 1j6w h ALA 61 Ca 0.35 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1j6w h ALA 61 Cb 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j6w h ALA 61 CO -0.27 0.37 -0.45 0.78 0.00 0.00 0.00 179.25 179.68 1j6w h GLY 62 N 0.73 0.19 -2.40 0.00 0.00 -1.22 -3.25 103.07 97.12 1j6w h GLY 62 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1j6w h GLY 62 CO -0.02 0.43 0.00 0.69 0.00 0.00 0.00 176.54 177.64 1j6w n PHE 63 N -4.34 0.00 0.00 5.60 3.72 0.38 -2.27 117.46 120.55 1j6w n PHE 63 Ca -0.12 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1j6w n PHE 63 Cb 0.67 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1j6w n PHE 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1j6w n ARG 65 N 1.09 0.00 -0.22 -1.08 1.74 -1.23 -1.89 116.66 115.07 1j6w n ARG 65 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1j6w n ARG 65 Cb 0.15 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.66 1j6w n ARG 65 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1j6w h ASP 66 N 0.00 1.02 1.07 0.55 3.32 -1.77 -1.74 116.42 118.87 1j6w h ASP 66 Ca 0.00 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 1j6w h ASP 66 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1j6w h ASP 66 CO 0.00 1.00 -0.97 0.45 -1.72 0.00 0.00 179.24 178.00 1j6w h HIS 67 N 1.01 0.00 0.00 4.55 3.86 -1.68 -3.41 115.15 119.47 1j6w h HIS 67 Ca 0.20 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.18 1j6w h HIS 67 Cb 0.41 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 1j6w h HIS 67 CO 0.03 0.26 -1.88 1.28 0.86 0.00 0.00 177.93 178.48 1j6w n LEU 68 N -2.86 2.08 -4.71 2.43 4.77 -1.21 -4.91 117.00 112.58 1j6w n LEU 68 Ca -0.03 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 1j6w n LEU 68 Cb 0.67 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1j6w n LEU 68 CO 0.40 0.63 1.39 0.20 -1.33 0.00 0.00 177.39 178.68 1j6w s ASN 69 N -5.22 6.44 0.00 -1.43 0.01 -0.66 -4.70 114.94 109.38 1j6w s ASN 69 Ca -0.17 2.76 0.00 0.00 -0.71 0.00 0.00 52.86 54.74 1j6w s ASN 69 Cb 0.05 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1j6w s ASN 69 CO 0.41 -0.96 0.00 0.61 -1.51 0.00 0.00 177.10 175.65 1j6w n GLY 70 N 4.05 2.47 0.38 0.66 0.00 -0.55 -4.95 105.19 107.26 1j6w n GLY 70 Ca 0.16 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.56 1j6w n GLY 70 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j6w h ASP 71 N 0.00 0.50 0.00 1.61 3.32 -2.03 -2.94 116.42 116.88 1j6w h ASP 71 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1j6w h ASP 71 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1j6w h ASP 71 CO 0.00 0.25 -0.03 -1.54 -1.72 0.00 0.00 179.24 176.20 1j6w n SER 72 N -4.52 2.01 -3.73 6.45 3.41 -1.26 -4.99 113.62 110.98 1j6w n SER 72 Ca 0.17 -2.60 -0.17 0.00 -0.26 0.00 0.00 58.87 56.00 1j6w n SER 72 Cb 0.54 -0.26 -0.17 0.00 -0.26 0.00 0.00 64.21 64.06 1j6w n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1j6w s ILE 73 N -2.00 -0.07 -0.16 -1.33 1.01 -1.11 -4.38 121.20 113.16 1j6w s ILE 73 Ca 0.19 0.29 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 1j6w s ILE 73 Cb 0.16 -0.12 0.05 0.00 0.01 0.00 0.00 42.46 42.57 1j6w s ILE 73 CO 0.02 0.13 0.03 -0.70 0.00 0.00 0.00 174.94 174.42 1j6w s GLU 74 N 1.50 0.57 0.07 2.79 2.12 -0.40 -1.48 118.70 123.86 1j6w s GLU 74 Ca -0.04 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 54.72 1j6w s GLU 74 Cb -0.13 -1.83 -0.07 0.00 0.26 0.00 0.00 34.13 32.36 1j6w s GLU 74 CO -0.03 -0.57 1.48 0.42 -0.54 0.00 0.00 175.26 176.02 1j6w s ILE 75 N 1.92 3.32 -0.16 -3.70 1.01 -1.26 -0.39 121.20 121.94 1j6w s ILE 75 Ca 0.01 0.83 -0.18 0.00 0.00 0.00 0.00 60.65 61.31 1j6w s ILE 75 Cb -0.16 -3.54 -0.15 0.00 0.01 0.00 0.00 42.46 38.62 1j6w s ILE 75 CO -0.07 0.02 0.30 0.40 0.00 0.00 0.00 174.94 175.59 1j6w h ILE 76 N 4.62 0.90 -2.14 2.92 2.04 -0.98 -3.47 117.51 121.39 1j6w h ILE 76 Ca -0.41 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 63.55 1j6w h ILE 76 Cb 1.20 1.85 -0.19 0.00 -0.74 0.00 0.00 36.82 38.94 1j6w h ILE 76 CO 0.90 0.30 0.12 -0.62 0.00 0.00 0.00 178.15 178.85 1j6w s ASP 77 N -6.23 -0.61 -0.15 1.72 2.15 -0.95 -5.00 116.67 107.61 1j6w s ASP 77 Ca -0.18 0.71 -0.02 0.00 0.43 0.00 0.00 52.55 53.49 1j6w s ASP 77 Cb 0.01 0.61 0.05 0.00 -0.30 0.00 0.00 42.92 43.29 1j6w s ASP 77 CO 0.46 -0.55 0.01 -0.63 -0.17 0.00 0.00 175.17 174.30 1j6w s ILE 78 N -1.03 0.54 0.06 4.11 1.01 -1.26 -0.63 121.20 124.00 1j6w s ILE 78 Ca -0.10 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1j6w s ILE 78 Cb -0.01 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1j6w s ILE 78 CO 0.08 -0.02 -0.07 -0.44 0.00 0.00 0.00 174.94 174.49 1j6w s SER 79 N 1.87 0.91 0.00 3.58 0.01 -0.67 -4.90 113.70 114.50 1j6w s SER 79 Ca 0.01 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1j6w s SER 79 Cb -0.15 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1j6w s SER 79 CO -0.07 -0.29 0.00 -0.81 0.41 0.00 0.00 173.24 172.48 1j6w n PRO 80 N 1.01 3.67 -0.09 12.44 -0.04 -1.26 -0.61 135.00 150.11 1j6w n PRO 80 Ca -0.20 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 1j6w n PRO 80 Cb 0.57 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.89 1j6w n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j6w n GLY 82 N 3.67 -0.84 0.00 0.55 0.00 -1.26 -4.79 105.19 102.52 1j6w n GLY 82 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1j6w n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6w n ARG 84 N -1.46 -1.75 -0.10 0.00 1.74 -1.26 -4.80 116.66 109.03 1j6w n ARG 84 Ca 0.06 0.96 0.07 0.00 -0.77 0.00 0.00 57.85 58.17 1j6w n ARG 84 Cb 0.22 -5.62 0.12 0.00 -1.02 0.00 0.00 32.46 26.16 1j6w n ARG 84 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1j6w n THR 85 N -3.89 0.43 -3.39 0.55 -2.24 -1.26 -1.06 114.28 103.41 1j6w n THR 85 Ca -0.23 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1j6w n THR 85 Cb 0.68 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1j6w n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j6w n GLY 86 N 0.79 -0.68 3.12 3.38 0.00 -1.26 -0.73 105.19 109.80 1j6w n GLY 86 Ca 0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1j6w n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j6w s PHE 87 N -3.00 0.79 0.02 1.61 0.40 -0.11 -4.60 117.98 113.10 1j6w s PHE 87 Ca 0.00 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1j6w s PHE 87 Cb 0.00 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 43.07 1j6w s PHE 87 CO 0.00 -0.11 0.02 0.66 0.70 0.00 0.00 175.22 176.49 1j6w n TYR 88 N 0.77 -1.81 -3.62 0.36 4.02 0.21 -0.20 117.16 116.89 1j6w n TYR 88 Ca -0.18 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.90 57.54 1j6w n TYR 88 Cb 0.57 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.81 1j6w n TYR 88 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1j6w s SER 90 N -1.11 -0.40 0.16 7.72 1.04 0.20 -1.67 113.70 119.64 1j6w s SER 90 Ca 0.01 0.69 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 1j6w s SER 90 Cb -0.00 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.82 1j6w s SER 90 CO 0.01 -0.20 0.48 -1.48 0.98 0.00 0.00 173.24 173.03 1j6w s LEU 91 N -0.19 0.13 -0.23 2.42 0.05 -0.28 -0.28 118.68 120.30 1j6w s LEU 91 Ca 0.02 -0.35 -0.18 0.00 0.05 0.00 0.00 54.13 53.67 1j6w s LEU 91 Cb -0.04 2.07 -0.03 0.00 -2.05 0.00 0.00 46.19 46.14 1j6w s LEU 91 CO -0.04 -0.96 0.53 -0.63 -0.55 0.00 0.00 176.35 174.70 1j6w s ILE 92 N -3.83 5.08 0.00 1.48 1.01 0.48 -1.35 121.20 124.07 1j6w s ILE 92 Ca 0.06 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1j6w s ILE 92 Cb 0.00 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1j6w s ILE 92 CO -0.08 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1j6w n GLY 93 N 4.11 1.40 2.63 6.18 0.00 -0.49 -1.28 105.19 117.74 1j6w n GLY 93 Ca -0.04 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1j6w n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j6w n THR 94 N -1.74 1.25 -1.73 2.61 5.66 -1.26 -3.86 114.28 115.21 1j6w n THR 94 Ca 0.00 -3.40 -0.33 0.00 -3.05 0.00 0.00 64.05 57.27 1j6w n THR 94 Cb 0.00 0.31 0.05 0.00 -1.55 0.00 0.00 70.33 69.14 1j6w n THR 94 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1j6w s PRO 95 N -3.20 2.83 0.66 1.09 0.04 -1.26 -5.04 135.00 130.11 1j6w s PRO 95 Ca 0.31 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1j6w s PRO 95 Cb 0.45 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 33.14 1j6w s PRO 95 CO -0.00 -1.22 0.91 0.54 0.04 0.00 0.00 177.00 177.27 1j6w s ASN 96 N -2.80 4.65 0.31 6.66 2.20 -1.26 -4.94 114.94 119.77 1j6w s ASN 96 Ca 0.65 -0.54 0.00 0.00 -0.94 0.00 0.00 52.86 52.03 1j6w s ASN 96 Cb -0.19 0.08 0.54 0.00 -2.00 0.00 0.00 41.25 39.68 1j6w s ASN 96 CO 0.43 -1.65 1.95 -0.33 -2.94 0.00 0.00 177.10 174.57 1j6w h GLU 97 N -0.24 0.98 -0.18 3.55 3.07 -1.96 -2.59 114.58 117.21 1j6w h GLU 97 Ca -0.34 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1j6w h GLU 97 Cb 1.27 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1j6w h GLU 97 CO 0.40 0.65 0.10 0.37 -1.40 0.00 0.00 179.01 179.13 1j6w h GLN 98 N 1.01 0.26 -0.86 2.33 4.15 -1.97 0.30 115.11 120.33 1j6w h GLN 98 Ca 0.33 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 1j6w h GLN 98 Cb 0.04 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1j6w h GLN 98 CO -0.10 0.26 0.51 -0.22 -1.93 0.00 0.00 178.83 177.35 1j6w h LYS 99 N 0.18 1.17 -0.43 1.69 3.64 -1.90 -0.99 116.57 119.93 1j6w h LYS 99 Ca 0.06 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1j6w h LYS 99 Cb 0.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1j6w h LYS 99 CO -0.01 0.83 -0.16 0.28 -2.27 0.00 0.00 179.45 178.11 1j6w h VAL 100 N 1.18 1.28 -0.35 2.00 2.07 -1.28 -2.41 116.25 118.74 1j6w h VAL 100 Ca 0.31 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 1j6w h VAL 100 Cb -0.03 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1j6w h VAL 100 CO -0.06 0.44 -0.06 0.77 0.02 0.00 0.00 177.57 178.68 1j6w h SER 101 N 0.70 0.56 -0.41 0.57 4.64 -0.58 -0.12 113.55 118.91 1j6w h SER 101 Ca 0.10 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 1j6w h SER 101 Cb 0.72 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1j6w h SER 101 CO 0.05 0.67 -0.33 -0.33 -0.87 0.00 0.00 176.83 176.02 1j6w h GLU 102 N 0.55 0.95 -0.39 4.77 5.08 -1.11 0.50 114.58 124.94 1j6w h GLU 102 Ca 0.11 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1j6w h GLU 102 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1j6w h GLU 102 CO 0.02 1.14 -0.13 0.00 -1.00 0.00 0.00 179.01 179.04 1j6w h ALA 103 N 0.80 1.04 0.31 3.43 0.00 -1.09 -1.46 119.26 122.29 1j6w h ALA 103 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1j6w h ALA 103 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1j6w h ALA 103 CO 0.09 0.58 -0.15 2.35 0.00 0.00 0.00 179.25 182.12 1j6w h TRP 104 N 0.64 -0.39 -0.71 0.00 2.91 -0.79 -0.38 115.95 117.22 1j6w h TRP 104 Ca 0.11 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.23 1j6w h TRP 104 Cb 0.59 0.13 -0.08 0.00 -0.51 0.00 0.00 29.16 29.29 1j6w h TRP 104 CO 0.03 -0.11 0.31 1.25 -1.03 0.00 0.00 178.44 178.90 1j6w h LEU 105 N -0.65 0.35 -1.00 0.65 5.85 -0.78 0.49 115.31 120.22 1j6w h LEU 105 Ca -0.04 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1j6w h LEU 105 Cb 0.46 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1j6w h LEU 105 CO 0.07 0.18 0.06 0.00 -0.34 0.00 0.00 178.44 178.41 1j6w h ALA 106 N 1.47 1.18 0.00 1.25 0.00 -1.16 -2.97 119.26 119.03 1j6w h ALA 106 Ca 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j6w h ALA 106 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j6w h ALA 106 CO -0.32 0.54 0.00 0.43 0.00 0.00 0.00 179.25 179.90 1j6w n SER 107 N -4.25 1.30 0.00 0.00 7.64 0.16 -1.86 113.62 116.61 1j6w n SER 107 Ca 0.03 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1j6w n SER 107 Cb 0.26 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1j6w n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j6w n GLN 109 N 1.50 0.00 -0.32 1.43 1.13 -1.12 -1.29 117.38 118.70 1j6w n GLN 109 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1j6w n GLN 109 Cb 0.14 0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.61 1j6w n GLN 109 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1j6w h ASP 110 N 0.00 1.09 -0.62 1.08 3.45 -1.67 -1.82 116.42 117.92 1j6w h ASP 110 Ca 0.00 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.34 1j6w h ASP 110 Cb 0.00 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.46 1j6w h ASP 110 CO 0.00 0.87 0.28 0.58 -1.57 0.00 0.00 179.24 179.40 1j6w h VAL 111 N 1.23 1.22 0.00 -1.35 2.07 -1.48 -1.20 116.25 116.74 1j6w h VAL 111 Ca 0.31 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1j6w h VAL 111 Cb 0.01 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1j6w h VAL 111 CO -0.05 0.26 -0.05 -0.07 0.02 0.00 0.00 177.57 177.68 1j6w h LEU 112 N 0.86 0.00 -0.11 2.57 4.07 -1.69 -1.71 115.31 119.30 1j6w h LEU 112 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1j6w h LEU 112 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1j6w h LEU 112 CO -0.02 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 1j6w n GLY 113 N -0.70 -1.55 3.48 0.83 0.00 -0.47 -4.49 105.19 102.30 1j6w n GLY 113 Ca -0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1j6w n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6w s VAL 114 N -3.10 4.19 -0.06 1.61 1.01 -0.64 -4.93 120.40 118.47 1j6w s VAL 114 Ca 0.10 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1j6w s VAL 114 Cb 0.13 -4.72 -0.18 0.00 0.00 0.00 0.00 36.38 31.61 1j6w s VAL 114 CO 0.53 -1.51 0.97 1.56 0.00 0.00 0.00 175.10 176.64 1j6w h GLN 115 N 9.65 -0.12 -6.52 2.72 4.20 -1.85 -3.46 115.11 119.72 1j6w h GLN 115 Ca -0.28 0.01 -0.66 0.00 0.06 0.00 0.00 58.65 57.78 1j6w h GLN 115 Cb 1.07 0.03 -0.26 0.00 0.30 0.00 0.00 27.48 28.61 1j6w h GLN 115 CO 1.19 0.40 -0.87 0.16 -0.67 0.00 0.00 178.83 179.05 1j6w s ASP 116 N -5.64 2.94 0.44 1.46 1.47 -1.26 -5.02 116.67 111.07 1j6w s ASP 116 Ca -0.14 -0.56 0.11 0.00 1.18 0.00 0.00 52.55 53.14 1j6w s ASP 116 Cb 0.00 -0.26 0.99 0.00 -0.34 0.00 0.00 42.92 43.31 1j6w s ASP 116 CO 0.56 0.23 2.05 -0.61 0.68 0.00 0.00 175.17 178.08 1j6w h GLN 117 N 4.85 0.23 0.00 2.11 4.15 -1.97 0.19 115.11 124.67 1j6w h GLN 117 Ca -0.45 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1j6w h GLN 117 Cb 1.15 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1j6w h GLN 117 CO 0.44 0.23 0.00 0.00 -1.93 0.00 0.00 178.83 177.56 1j6w h ALA 118 N 1.81 1.00 0.00 3.38 0.00 -2.02 -1.67 119.26 121.76 1j6w h ALA 118 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j6w h ALA 118 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j6w h ALA 118 CO -0.00 0.00 0.00 1.03 0.00 0.00 0.00 179.25 180.28 1j6w h SER 119 N 0.00 0.00 -3.62 0.00 0.87 -1.36 -3.42 113.55 106.02 1j6w h SER 119 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 1j6w h SER 119 Cb 0.27 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.14 1j6w h SER 119 CO 0.00 0.00 0.70 -0.63 -0.53 0.00 0.00 176.83 176.37 1j6w s ILE 120 N -3.16 4.36 0.12 2.23 1.01 -0.63 -4.95 121.20 120.18 1j6w s ILE 120 Ca 0.09 0.85 -0.26 0.00 0.00 0.00 0.00 60.65 61.33 1j6w s ILE 120 Cb 0.10 -4.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1j6w s ILE 120 CO 0.60 -0.94 1.63 -0.65 0.00 0.00 0.00 174.94 175.58 1j6w h PRO 121 N 9.17 -0.39 0.00 2.79 0.11 -1.87 -3.23 132.00 138.58 1j6w h PRO 121 Ca -0.24 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1j6w h PRO 121 Cb 1.07 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j6w h PRO 121 CO 1.07 -0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1j6w n GLU 122 N -5.38 0.37 -1.54 1.05 0.00 -1.26 -4.48 120.64 109.40 1j6w n GLU 122 Ca -0.05 0.03 -0.42 0.00 0.00 0.00 0.00 57.16 56.73 1j6w n GLU 122 Cb 0.30 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.22 1j6w n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1j6w n LEU 123 N -1.06 6.34 -4.09 -1.84 4.77 -1.22 -3.70 117.00 116.19 1j6w n LEU 123 Ca 0.09 -3.84 -0.10 0.00 -0.03 0.00 0.00 56.01 52.13 1j6w n LEU 123 Cb 0.06 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 39.56 1j6w n LEU 123 CO 0.08 0.84 -0.01 0.54 -1.33 0.00 0.00 177.39 177.51 1j6w s ASN 124 N 3.53 0.02 0.39 -1.43 2.20 -1.26 -4.94 114.94 113.45 1j6w s ASN 124 Ca 0.51 -1.14 0.28 0.00 -0.94 0.00 0.00 52.86 51.57 1j6w s ASN 124 Cb 0.14 0.49 1.37 0.00 -2.00 0.00 0.00 41.25 41.25 1j6w s ASN 124 CO -0.04 -1.00 1.84 0.16 -2.94 0.00 0.00 177.10 175.12 1j6w h ILE 125 N 2.42 0.00 0.09 0.54 3.07 -1.88 -1.55 117.51 120.20 1j6w h ILE 125 Ca -0.31 -0.13 -0.33 0.00 1.55 0.00 0.00 64.86 65.65 1j6w h ILE 125 Cb 1.25 0.83 -0.02 0.00 -0.27 0.00 0.00 36.82 38.61 1j6w h ILE 125 CO 0.43 0.00 -1.77 1.88 -1.05 0.00 0.00 178.15 177.64 1j6w h TYR 126 N 0.00 0.36 -0.01 0.16 0.05 -1.96 -3.40 116.97 112.16 1j6w h TYR 126 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1j6w h TYR 126 Cb 0.16 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1j6w h TYR 126 CO 0.00 1.46 -0.09 1.04 -1.05 0.00 0.00 178.16 179.52 1j6w n GLN 127 N -3.36 1.24 -3.87 4.88 6.02 -1.11 -4.99 117.38 116.17 1j6w n GLN 127 Ca -0.23 -1.13 -0.12 0.00 -0.01 0.00 0.00 57.00 55.52 1j6w n GLN 127 Cb 1.05 -1.24 -0.14 0.00 1.02 0.00 0.00 30.24 30.93 1j6w n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j6w h GLY 129 N 6.03 0.00 -5.46 0.00 0.00 -1.90 -3.36 103.07 98.38 1j6w h GLY 129 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.71 1j6w h GLY 129 CO 0.50 0.00 -0.78 1.44 0.00 0.00 0.00 176.54 177.70 1j6w n SER 130 N -3.13 -1.34 0.31 0.19 7.64 -1.26 -5.03 113.62 111.01 1j6w n SER 130 Ca 0.02 -3.12 0.16 0.00 1.01 0.00 0.00 58.87 56.94 1j6w n SER 130 Cb 0.39 0.72 0.87 0.00 -1.01 0.00 0.00 64.21 65.18 1j6w n SER 130 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1j6w h TYR 131 N 3.74 0.00 0.00 1.43 -0.00 -1.83 -0.92 116.97 119.39 1j6w h TYR 131 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.69 1j6w h TYR 131 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.71 1j6w h TYR 131 CO 0.23 0.00 -1.10 0.25 -0.00 0.00 0.00 178.16 177.54 1j6w n THR 132 N -2.82 0.14 -1.32 -0.90 -2.24 -1.26 -4.54 114.28 101.34 1j6w n THR 132 Ca -0.02 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 1j6w n THR 132 Cb 0.27 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1j6w n THR 132 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1j6w n GLU 133 N -1.94 3.46 -4.14 -0.78 4.07 -0.35 -4.86 120.64 116.09 1j6w n GLU 133 Ca 0.02 -2.19 -0.14 0.00 -0.06 0.00 0.00 57.16 54.79 1j6w n GLU 133 Cb 0.44 -2.84 -0.11 0.00 -0.06 0.00 0.00 31.44 28.87 1j6w n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1j6w s HIS 134 N 2.42 0.94 -0.35 4.31 3.76 -1.26 -4.60 115.29 120.51 1j6w s HIS 134 Ca 0.65 -0.64 0.05 0.00 -0.15 0.00 0.00 55.06 54.97 1j6w s HIS 134 Cb 0.17 -0.53 0.17 0.00 1.11 0.00 0.00 32.58 33.50 1j6w s HIS 134 CO -0.06 -0.04 0.49 0.45 -0.85 0.00 0.00 174.74 174.73 1j6w s SER 135 N -2.24 -0.30 0.46 1.40 0.15 -1.20 -4.90 113.70 107.07 1j6w s SER 135 Ca 0.02 -0.74 0.17 0.00 0.70 0.00 0.00 55.95 56.10 1j6w s SER 135 Cb -0.04 1.36 1.08 0.00 -1.71 0.00 0.00 66.02 66.72 1j6w s SER 135 CO -0.00 -0.26 1.99 0.25 1.20 0.00 0.00 173.24 176.41 1j6w h LEU 136 N 7.49 0.00 0.05 3.45 6.46 -1.94 -2.50 115.31 128.32 1j6w h LEU 136 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1j6w h LEU 136 Cb 1.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1j6w h LEU 136 CO 0.18 0.19 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.09 1j6w h GLU 137 N 0.00 -0.07 -0.80 1.25 4.81 -1.98 0.21 114.58 118.01 1j6w h GLU 137 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1j6w h GLU 137 Cb 0.37 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1j6w h GLU 137 CO 0.02 0.02 0.39 -0.44 -0.73 0.00 0.00 179.01 178.27 1j6w h ASP 138 N -0.14 1.04 -0.70 1.04 5.19 -1.84 -1.10 116.42 119.92 1j6w h ASP 138 Ca -0.01 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 1j6w h ASP 138 Cb 0.12 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 1j6w h ASP 138 CO 0.01 0.88 0.33 0.00 -3.12 0.00 0.00 179.24 177.34 1j6w h ALA 139 N 1.20 0.90 -0.51 3.45 0.00 -1.25 0.15 119.26 123.22 1j6w h ALA 139 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1j6w h ALA 139 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1j6w h ALA 139 CO -0.04 0.47 0.19 0.45 0.00 0.00 0.00 179.25 180.32 1j6w h HIS 140 N 0.97 0.78 -0.48 0.00 3.86 -0.65 -0.09 115.15 119.55 1j6w h HIS 140 Ca 0.24 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1j6w h HIS 140 Cb 0.12 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1j6w h HIS 140 CO 0.01 0.66 0.31 1.49 0.86 0.00 0.00 177.93 181.25 1j6w h GLU 141 N 0.68 0.61 -0.34 2.45 4.81 -0.64 -1.08 114.58 121.07 1j6w h GLU 141 Ca 0.17 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1j6w h GLU 141 Cb 0.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1j6w h GLU 141 CO -0.01 0.41 0.21 0.82 -0.73 0.00 0.00 179.01 179.71 1j6w h ILE 142 N 0.63 1.11 -0.19 2.32 2.04 -0.36 -1.70 117.51 121.36 1j6w h ILE 142 Ca 0.18 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1j6w h ILE 142 Cb -0.06 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1j6w h ILE 142 CO -0.05 0.11 0.01 0.00 0.00 0.00 0.00 178.15 178.22 1j6w h ALA 143 N 1.10 0.17 -0.71 1.87 0.00 -0.66 -1.03 119.26 120.00 1j6w h ALA 143 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1j6w h ALA 143 Cb -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1j6w h ALA 143 CO -0.02 -0.43 0.45 0.87 0.00 0.00 0.00 179.25 180.12 1j6w h LYS 144 N 0.07 0.87 -0.29 0.00 1.57 -1.07 -1.08 116.57 116.64 1j6w h LYS 144 Ca 0.09 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1j6w h LYS 144 Cb 0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1j6w h LYS 144 CO -0.14 0.57 0.17 -0.97 -0.57 0.00 0.00 179.45 178.51 1j6w h ASN 145 N 0.89 0.27 -0.26 0.86 -0.73 -0.86 0.14 115.58 115.90 1j6w h ASN 145 Ca 0.28 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.45 1j6w h ASN 145 Cb -0.01 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1j6w h ASN 145 CO -0.10 0.20 0.14 0.58 -0.37 0.00 0.00 177.43 177.88 1j6w h VAL 146 N 0.35 1.12 -0.56 2.57 2.07 -0.75 0.03 116.25 121.08 1j6w h VAL 146 Ca 0.11 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1j6w h VAL 146 Cb 0.00 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1j6w h VAL 146 CO -0.05 0.12 0.34 0.40 0.02 0.00 0.00 177.57 178.40 1j6w h ILE 147 N 0.30 1.07 -0.61 4.57 2.04 -0.96 0.26 117.51 124.17 1j6w h ILE 147 Ca 0.09 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1j6w h ILE 147 Cb 0.08 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1j6w h ILE 147 CO -0.01 0.12 0.14 0.00 0.00 0.00 0.00 178.15 178.40 1j6w h ALA 148 N 1.24 1.09 0.00 1.87 0.00 -0.36 -3.12 119.26 119.98 1j6w h ALA 148 Ca 0.22 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1j6w h ALA 148 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1j6w h ALA 148 CO -0.09 0.60 -1.06 0.00 0.00 0.00 0.00 179.25 178.70 1j6w h ARG 149 N 0.92 0.00 0.00 0.00 3.08 -0.59 -3.51 114.38 114.28 1j6w h ARG 149 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1j6w h ARG 149 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1j6w h ARG 149 CO 0.00 0.41 0.00 0.41 -1.07 0.00 0.00 179.97 179.72 1j6w n GLY 150 N 1.33 -2.35 3.58 0.04 0.00 0.87 -4.91 105.19 103.75 1j6w n GLY 150 Ca -0.05 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1j6w n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j6w s ILE 151 N -3.61 5.20 0.00 -0.61 -1.09 -1.26 -4.17 121.20 115.65 1j6w s ILE 151 Ca 0.00 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1j6w s ILE 151 Cb 0.00 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1j6w s ILE 151 CO 0.00 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 1j6w n GLY 152 N 4.84 1.51 2.97 6.18 0.00 0.76 -4.92 105.19 116.53 1j6w n GLY 152 Ca -0.10 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 1j6w n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6w s VAL 153 N 1.85 -0.01 -0.07 1.61 1.01 -1.26 -2.09 120.40 121.44 1j6w s VAL 153 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1j6w s VAL 153 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1j6w s VAL 153 CO 0.00 0.01 -0.22 0.20 0.00 0.00 0.00 175.10 175.09 1j6w s ASN 154 N 0.17 3.32 -0.08 3.32 0.01 -0.15 -4.88 114.94 116.64 1j6w s ASN 154 Ca -0.01 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.73 1j6w s ASN 154 Cb -0.02 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.65 1j6w s ASN 154 CO -0.00 0.24 -0.21 -1.59 -1.51 0.00 0.00 177.10 174.03 1j6w s LYS 155 N -0.14 2.86 0.49 -0.60 0.00 -1.26 -4.25 119.74 116.84 1j6w s LYS 155 Ca -0.04 -0.82 0.30 0.00 0.00 0.00 0.00 55.97 55.41 1j6w s LYS 155 Cb -0.14 -2.33 1.39 0.00 0.00 0.00 0.00 37.83 36.75 1j6w s LYS 155 CO 0.04 0.33 1.81 -0.91 0.00 0.00 0.00 175.35 176.62 1j6w h ASN 156 N 6.27 0.15 -0.72 0.03 -0.26 -1.98 -0.49 115.58 118.58 1j6w h ASN 156 Ca -0.29 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.46 1j6w h ASN 156 Cb 1.20 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 1j6w h ASN 156 CO 0.49 0.03 0.38 -0.33 -1.06 0.00 0.00 177.43 176.94 1j6w h GLU 157 N 0.13 1.03 -0.19 0.81 3.07 -1.99 -2.36 114.58 115.07 1j6w h GLU 157 Ca 0.55 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1j6w h GLU 157 Cb 1.90 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 1j6w h GLU 157 CO -0.10 0.77 0.00 -0.25 -1.40 0.00 0.00 179.01 178.03 1j6w n ASP 158 N -4.35 1.46 -0.27 1.42 8.00 -0.20 -3.81 116.55 118.80 1j6w n ASP 158 Ca 0.07 -1.78 0.08 0.00 0.71 0.00 0.00 54.79 53.87 1j6w n ASP 158 Cb 0.11 -0.13 0.14 0.00 -0.02 0.00 0.00 41.12 41.23 1j6w n ASP 158 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1j6w n LEU 159 N 0.22 2.66 -4.60 0.64 4.77 -0.89 -4.98 117.00 114.82 1j6w n LEU 159 Ca 0.14 -2.81 -0.42 0.00 -0.03 0.00 0.00 56.01 52.88 1j6w n LEU 159 Cb 0.27 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1j6w n LEU 159 CO 0.11 0.67 0.58 -1.54 -1.33 0.00 0.00 177.39 175.88 1j6w n SER 160 N -0.94 1.30 -4.30 -1.43 3.41 -1.23 -0.60 113.62 109.84 1j6w n SER 160 Ca 0.14 1.09 -0.32 0.00 -0.26 0.00 0.00 58.87 59.51 1j6w n SER 160 Cb 0.61 -1.33 -0.16 0.00 -0.26 0.00 0.00 64.21 63.07 1j6w n SER 160 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1j6w s LEU 161 N -0.16 2.35 0.00 1.04 2.96 -1.26 -4.55 118.68 119.05 1j6w s LEU 161 Ca 0.61 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1j6w s LEU 161 Cb -0.60 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1j6w s LEU 161 CO 0.58 0.19 0.00 0.47 -1.32 0.00 0.00 176.35 176.27 1j6w n ASP 162 N 3.35 0.00 0.00 3.68 8.00 -1.26 -5.05 116.55 125.27 1j6w n ASP 162 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1j6w n ASP 162 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1j6w n ASP 162 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40