#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1w s VAL 3 N 0.00 5.22 -0.74 5.09 1.01 -1.26 -4.98 120.40 124.75 1x1w s VAL 3 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 1x1w s VAL 3 Cb 0.00 -3.69 0.19 0.00 0.00 0.00 0.00 36.38 32.88 1x1w s VAL 3 CO 0.00 0.42 0.66 -0.63 0.00 0.00 0.00 175.10 175.55 1x1w s ILE 4 N 0.13 5.24 -0.02 2.22 -1.09 -1.26 -4.83 121.20 121.58 1x1w s ILE 4 Ca 0.21 -2.34 0.04 0.00 -2.23 0.00 0.00 60.65 56.32 1x1w s ILE 4 Cb -0.14 -4.28 0.05 0.00 -1.58 0.00 0.00 42.46 36.51 1x1w s ILE 4 CO 0.08 -0.97 0.87 -0.46 -1.23 0.00 0.00 174.94 173.23 1x1w n ASN 5 N 4.16 1.09 -4.97 3.58 6.94 -1.26 -4.67 115.26 120.13 1x1w n ASN 5 Ca 0.07 -1.89 -0.21 0.00 -0.02 0.00 0.00 54.58 52.53 1x1w n ASN 5 Cb 0.44 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1x1w n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1w s THR 6 N -0.86 4.05 0.08 5.53 -4.23 -1.26 -1.31 115.64 117.63 1x1w s THR 6 Ca 0.06 -0.76 -0.28 0.00 -1.18 0.00 0.00 61.69 59.53 1x1w s THR 6 Cb 0.05 -3.45 -0.16 0.00 1.34 0.00 0.00 72.50 70.29 1x1w s THR 6 CO 0.01 -0.24 1.68 -0.26 -0.54 0.00 0.00 174.62 175.26 1x1w h PHE 7 N 0.65 -0.47 -0.51 3.99 0.04 -1.98 -1.07 116.94 117.60 1x1w h PHE 7 Ca -0.46 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.25 1x1w h PHE 7 Cb 1.25 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.55 1x1w h PHE 7 CO 0.44 -0.29 0.10 0.22 -0.60 0.00 0.00 178.31 178.18 1x1w h ASP 8 N -0.47 0.79 0.82 2.17 -0.00 -1.98 -0.78 116.42 116.97 1x1w h ASP 8 Ca -0.04 -0.25 -0.04 0.00 -0.00 0.00 0.00 57.03 56.71 1x1w h ASP 8 Cb 0.38 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1x1w h ASP 8 CO 0.05 0.84 -0.43 1.23 -0.00 0.00 0.00 179.24 180.93 1x1w h GLY 9 N 0.71 -1.22 1.39 -0.78 0.00 -1.95 -1.19 103.07 100.03 1x1w h GLY 9 Ca 0.16 0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.90 1x1w h GLY 9 CO 0.01 -0.44 0.08 -2.08 0.00 0.00 0.00 176.54 174.11 1x1w h VAL 10 N -1.15 1.22 -0.45 4.60 2.07 -1.24 -0.48 116.25 120.82 1x1w h VAL 10 Ca -0.11 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1x1w h VAL 10 Cb 0.90 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1x1w h VAL 10 CO 0.16 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.30 1x1w h ALA 11 N 1.36 0.58 -0.62 1.67 0.00 -1.07 0.21 119.26 121.39 1x1w h ALA 11 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1x1w h ALA 11 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1x1w h ALA 11 CO 0.00 0.11 0.07 0.22 0.00 0.00 0.00 179.25 179.66 1x1w h ASP 12 N 0.60 1.01 -0.25 0.00 1.82 -0.93 -1.73 116.42 116.94 1x1w h ASP 12 Ca 0.16 -0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.50 1x1w h ASP 12 Cb 0.07 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 1x1w h ASP 12 CO -0.02 1.04 0.07 0.22 -1.61 0.00 0.00 179.24 178.93 1x1w h TYR 13 N 0.96 0.41 -0.40 0.28 5.03 -0.71 -2.09 116.97 120.46 1x1w h TYR 13 Ca 0.18 -0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.47 1x1w h TYR 13 Cb 0.48 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1x1w h TYR 13 CO 0.04 0.48 0.20 -0.07 -1.32 0.00 0.00 178.16 177.49 1x1w h LEU 14 N 0.23 0.30 -1.74 2.82 3.38 -0.49 0.74 115.31 120.55 1x1w h LEU 14 Ca 0.08 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1x1w h LEU 14 Cb 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1x1w h LEU 14 CO -0.00 0.22 -0.15 1.56 0.09 0.00 0.00 178.44 180.16 1x1w h GLN 15 N 0.41 0.00 0.04 1.13 4.20 -1.19 0.18 115.11 119.88 1x1w h GLN 15 Ca 0.17 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.54 1x1w h GLN 15 Cb 0.06 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1x1w h GLN 15 CO -0.11 0.15 -1.89 2.41 -0.67 0.00 0.00 178.83 178.72 1x1w n THR 16 N -3.63 1.60 0.97 -0.54 -1.04 -0.80 -4.51 114.28 106.33 1x1w n THR 16 Ca -0.01 -0.35 0.11 0.00 -2.04 0.00 0.00 64.05 61.75 1x1w n THR 16 Cb 0.28 -1.84 0.01 0.00 -1.82 0.00 0.00 70.33 66.95 1x1w n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1x1w n TYR 17 N -3.97 0.00 -3.96 -1.42 4.01 0.21 -4.97 117.16 107.06 1x1w n TYR 17 Ca -0.38 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.09 1x1w n TYR 17 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.89 1x1w n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1w n HIS 18 N 0.11 -1.75 -3.61 -0.72 8.25 0.65 -4.93 115.22 113.22 1x1w n HIS 18 Ca 0.09 0.78 -0.05 0.00 -0.26 0.00 0.00 57.72 58.28 1x1w n HIS 18 Cb 0.47 -3.73 -0.04 0.00 1.12 0.00 0.00 29.99 27.81 1x1w n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1w s LYS 19 N -6.54 0.27 0.82 -0.41 -2.85 -1.24 -5.07 119.74 104.71 1x1w s LYS 19 Ca 0.17 0.03 -0.11 0.00 -1.00 0.00 0.00 55.97 55.06 1x1w s LYS 19 Cb -0.09 0.13 0.08 0.00 -2.06 0.00 0.00 37.83 35.89 1x1w s LYS 19 CO 0.88 -0.09 1.09 -0.51 0.10 0.00 0.00 175.35 176.82 1x1w s LEU 20 N -1.26 2.75 1.02 2.77 1.43 -1.26 -4.08 118.68 120.05 1x1w s LEU 20 Ca 0.06 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 1x1w s LEU 20 Cb -0.01 -4.30 0.20 0.00 0.03 0.00 0.00 46.19 42.12 1x1w s LEU 20 CO -0.04 -2.25 1.07 -2.84 0.23 0.00 0.00 176.35 172.52 1x1w s PRO 21 N -4.92 0.20 0.00 1.29 0.02 -1.26 -4.90 135.00 125.44 1x1w s PRO 21 Ca 0.62 0.90 0.18 0.00 0.02 0.00 0.00 61.00 62.72 1x1w s PRO 21 Cb -0.17 -1.68 1.08 0.00 0.02 0.00 0.00 34.50 33.75 1x1w s PRO 21 CO 0.56 -2.98 1.49 -3.47 -0.33 0.00 0.00 177.00 172.26 1x1w n ASP 22 N -4.41 0.00 -1.68 2.53 2.03 -1.26 -3.03 116.55 110.73 1x1w n ASP 22 Ca 0.06 -0.56 0.09 0.00 0.52 0.00 0.00 54.79 54.90 1x1w n ASP 22 Cb 0.55 -0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.32 1x1w n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1x1w n ASN 23 N -1.00 5.08 -4.53 1.67 6.94 -1.26 -4.95 115.26 117.21 1x1w n ASN 23 Ca 0.14 -2.61 -0.31 0.00 -0.02 0.00 0.00 54.58 51.78 1x1w n ASN 23 Cb 0.06 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 36.76 1x1w n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1w s TYR 24 N -2.14 2.71 -0.09 -2.53 2.02 -1.17 -0.75 117.35 115.40 1x1w s TYR 24 Ca 0.52 -0.16 -0.08 0.00 -0.37 0.00 0.00 57.07 56.98 1x1w s TYR 24 Cb 0.36 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1x1w s TYR 24 CO 0.22 0.34 0.24 0.96 -1.57 0.00 0.00 175.55 175.73 1x1w s ILE 25 N -1.02 0.00 0.97 2.71 -4.36 -0.37 -4.91 121.20 114.22 1x1w s ILE 25 Ca 0.17 -0.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.44 1x1w s ILE 25 Cb -0.11 -0.34 0.17 0.00 1.25 0.00 0.00 42.46 43.44 1x1w s ILE 25 CO 0.08 -0.00 1.09 0.42 0.24 0.00 0.00 174.94 176.76 1x1w s THR 26 N 0.11 2.38 0.32 8.37 -4.23 -1.15 -1.18 115.64 120.26 1x1w s THR 26 Ca -0.00 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1x1w s THR 26 Cb -0.02 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.59 1x1w s THR 26 CO 0.00 -0.16 1.99 0.11 -0.54 0.00 0.00 174.62 176.02 1x1w h LYS 27 N -1.84 0.98 -0.15 3.99 1.57 -1.97 -1.42 116.57 117.73 1x1w h LYS 27 Ca -0.52 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.09 1x1w h LYS 27 Cb 1.30 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1x1w h LYS 27 CO 0.53 0.65 -0.38 0.66 -0.57 0.00 0.00 179.45 180.34 1x1w h SER 28 N 1.00 0.34 -0.17 0.86 4.64 -1.98 -0.19 113.55 118.06 1x1w h SER 28 Ca 0.27 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1x1w h SER 28 Cb -0.11 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1x1w h SER 28 CO -0.06 0.70 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.02 1x1w h GLU 29 N 0.28 0.47 -0.51 4.77 5.08 -1.74 -1.44 114.58 121.49 1x1w h GLU 29 Ca 0.03 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1x1w h GLU 29 Cb 0.81 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1x1w h GLU 29 CO 0.06 0.87 0.19 0.00 -1.00 0.00 0.00 179.01 179.13 1x1w h ALA 30 N 0.60 0.67 -0.97 3.43 0.00 -1.17 -2.39 119.26 119.43 1x1w h ALA 30 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1x1w h ALA 30 Cb 0.82 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1x1w h ALA 30 CO 0.06 0.30 0.65 0.37 0.00 0.00 0.00 179.25 180.62 1x1w h GLN 31 N 0.69 1.27 0.00 0.00 -0.00 -1.00 -0.13 115.11 115.94 1x1w h GLN 31 Ca 0.17 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.72 1x1w h GLN 31 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 27.48 27.42 1x1w h GLN 31 CO -0.01 0.84 -0.10 0.00 0.00 0.00 0.00 178.83 179.56 1x1w h ALA 32 N 1.40 1.21 -0.24 3.38 0.00 -0.79 -1.29 119.26 122.93 1x1w h ALA 32 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x1w h ALA 32 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1x1w h ALA 32 CO -0.09 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1x1w n LEU 33 N -3.51 1.62 0.00 0.00 4.77 -0.16 -4.87 117.00 114.85 1x1w n LEU 33 Ca -0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1x1w n LEU 33 Cb 0.23 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1x1w n LEU 33 CO 0.29 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1x1w n GLY 34 N 1.05 0.86 3.74 -0.72 0.00 -0.49 -4.79 105.19 104.84 1x1w n GLY 34 Ca 0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1x1w n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1w s TRP 35 N -2.00 3.43 -0.25 1.61 -0.00 -0.62 -4.96 118.94 116.15 1x1w s TRP 35 Ca 0.00 1.46 -0.02 0.00 -0.00 0.00 0.00 56.10 57.54 1x1w s TRP 35 Cb 0.00 -3.42 0.08 0.00 -0.00 0.00 0.00 33.47 30.12 1x1w s TRP 35 CO 0.00 -1.15 0.06 0.08 -0.00 0.00 0.00 176.95 175.93 1x1w s VAL 36 N -0.24 0.71 0.16 5.86 1.01 -1.26 -4.47 120.40 122.16 1x1w s VAL 36 Ca 0.52 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 1x1w s VAL 36 Cb -0.33 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1x1w s VAL 36 CO 0.38 -0.41 1.41 0.00 0.00 0.00 0.00 175.10 176.48 1x1w n ALA 37 N 4.95 -0.52 0.07 5.51 0.00 -1.26 -0.00 120.51 129.26 1x1w n ALA 37 Ca -0.06 0.80 0.01 0.00 0.00 0.00 0.00 53.44 54.18 1x1w n ALA 37 Cb 0.45 -0.17 0.04 0.00 0.00 0.00 0.00 19.45 19.77 1x1w n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x1w n SER 38 N -5.17 0.00 -0.05 0.00 3.41 -1.26 -1.58 113.62 108.97 1x1w n SER 38 Ca 0.03 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1x1w n SER 38 Cb 0.26 -0.25 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 1x1w n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1w n LYS 39 N -1.25 0.71 -3.32 4.33 5.02 1.00 -5.01 118.16 119.65 1x1w n LYS 39 Ca 0.01 -0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 56.02 1x1w n LYS 39 Cb 0.01 -1.51 0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1x1w n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1w n GLY 40 N 1.54 -0.23 1.08 0.72 0.00 -0.61 -4.90 105.19 102.79 1x1w n GLY 40 Ca -0.18 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1x1w n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1w n ASN 41 N -2.28 2.68 0.16 1.61 6.94 -1.26 -3.41 115.26 119.71 1x1w n ASN 41 Ca -0.06 -3.64 -0.14 0.00 -0.02 0.00 0.00 54.58 50.72 1x1w n ASN 41 Cb 0.57 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.30 1x1w n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1w h LEU 42 N 1.09 -0.29 -2.01 -4.53 5.85 -1.90 -1.20 115.31 112.32 1x1w h LEU 42 Ca 0.18 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1x1w h LEU 42 Cb 1.60 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1x1w h LEU 42 CO 0.35 -0.19 0.33 0.00 -0.34 0.00 0.00 178.44 178.59 1x1w h ALA 43 N 0.39 2.40 0.15 1.25 0.00 -1.84 0.98 119.26 122.60 1x1w h ALA 43 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x1w h ALA 43 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x1w h ALA 43 CO 0.06 -0.56 -0.07 -0.44 0.00 0.00 0.00 179.25 178.23 1x1w h ASP 44 N 0.00 -0.18 0.93 0.00 3.32 -1.65 -2.25 116.42 116.59 1x1w h ASP 44 Ca 0.21 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1x1w h ASP 44 Cb 0.87 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1x1w h ASP 44 CO -0.00 0.30 -0.43 1.33 -1.72 0.00 0.00 179.24 178.71 1x1w n VAL 45 N -4.97 0.31 -3.08 -1.35 0.24 -0.54 -4.50 118.33 104.44 1x1w n VAL 45 Ca -0.09 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.34 61.84 1x1w n VAL 45 Cb 0.26 -0.18 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 1x1w n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1w n ALA 46 N -1.74 0.84 -1.65 2.33 0.00 0.33 -4.94 120.51 115.69 1x1w n ALA 46 Ca 0.04 -2.35 -0.42 0.00 0.00 0.00 0.00 53.44 50.71 1x1w n ALA 46 Cb 0.41 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.81 1x1w n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1w n PRO 47 N 2.35 1.72 -1.40 0.00 -0.02 -0.85 -2.10 135.00 134.71 1x1w n PRO 47 Ca 0.21 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 1x1w n PRO 47 Cb 0.54 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 1x1w n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1w n GLY 48 N 0.98 1.33 3.89 -1.23 0.00 -1.26 -4.97 105.19 103.93 1x1w n GLY 48 Ca 0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1x1w n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1w s LYS 49 N -3.15 3.18 -0.00 1.61 -0.14 -0.89 -4.77 119.74 115.58 1x1w s LYS 49 Ca 0.00 -0.86 -0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1x1w s LYS 49 Cb 0.00 -2.75 -0.00 0.00 -1.68 0.00 0.00 37.83 33.40 1x1w s LYS 49 CO 0.00 0.44 0.04 -1.12 -0.76 0.00 0.00 175.35 173.95 1x1w s SER 50 N -3.70 0.06 0.08 2.83 0.01 0.07 -4.81 113.70 108.24 1x1w s SER 50 Ca 0.33 -0.15 -0.31 0.00 1.31 0.00 0.00 55.95 57.14 1x1w s SER 50 Cb -0.09 0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.20 1x1w s SER 50 CO 0.27 -0.18 1.36 -0.63 0.41 0.00 0.00 173.24 174.47 1x1w s ILE 51 N -0.72 3.53 0.00 1.44 1.01 -1.26 -1.24 121.20 123.96 1x1w s ILE 51 Ca -0.08 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1x1w s ILE 51 Cb -0.05 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1x1w s ILE 51 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1x1w n GLY 52 N 3.47 1.37 0.00 6.18 0.00 -0.32 -0.55 105.19 115.34 1x1w n GLY 52 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1x1w n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1w n GLY 53 N -0.18 2.49 3.73 -0.02 0.00 0.16 -2.92 105.19 108.46 1x1w n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1x1w n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1w s ASP 54 N -1.73 4.27 0.47 1.61 1.01 -1.21 -4.64 116.67 116.46 1x1w s ASP 54 Ca 0.00 2.13 -0.24 0.00 0.71 0.00 0.00 52.55 55.16 1x1w s ASP 54 Cb 0.00 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1x1w s ASP 54 CO 0.00 -2.20 1.30 -0.63 0.21 0.00 0.00 175.17 173.85 1x1w s ILE 55 N -2.37 2.51 -0.25 0.77 1.09 -1.26 -1.55 121.20 120.15 1x1w s ILE 55 Ca 0.69 0.41 -0.01 0.00 -1.10 0.00 0.00 60.65 60.64 1x1w s ILE 55 Cb -0.23 -3.22 0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1x1w s ILE 55 CO 0.48 0.02 -0.08 0.12 -0.10 0.00 0.00 174.94 175.38 1x1w s PHE 56 N -1.34 3.08 -1.24 3.97 5.36 0.10 -4.73 117.98 123.18 1x1w s PHE 56 Ca 0.64 -1.72 0.24 0.00 -0.96 0.00 0.00 56.93 55.13 1x1w s PHE 56 Cb -0.37 -2.02 1.13 0.00 -0.34 0.00 0.00 43.02 41.41 1x1w s PHE 56 CO 0.45 -0.77 1.78 0.43 -1.46 0.00 0.00 175.22 175.66 1x1w n SER 57 N 4.62 0.00 -3.86 6.13 7.64 -1.26 -4.12 113.62 122.77 1x1w n SER 57 Ca -0.16 0.19 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 1x1w n SER 57 Cb 0.46 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 63.30 1x1w n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1w n ASN 58 N -1.38 -3.48 -0.36 6.43 5.15 -1.26 -4.85 115.26 115.51 1x1w n ASN 58 Ca 0.09 -1.08 0.04 0.00 -0.60 0.00 0.00 54.58 53.02 1x1w n ASN 58 Cb 0.23 -2.87 0.20 0.00 -0.53 0.00 0.00 39.78 36.81 1x1w n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1w h ARG 59 N -2.03 1.08 -0.04 1.20 3.08 -2.01 0.92 114.38 116.58 1x1w h ARG 59 Ca -0.67 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.32 1x1w h ARG 59 Cb 1.38 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1x1w h ARG 59 CO 0.54 0.71 0.00 -1.91 -1.07 0.00 0.00 179.97 178.24 1x1w n GLU 60 N -4.52 1.44 -2.42 0.04 4.07 -1.26 -4.90 120.64 113.08 1x1w n GLU 60 Ca 0.16 -0.64 -0.20 0.00 -0.06 0.00 0.00 57.16 56.41 1x1w n GLU 60 Cb 0.22 -1.45 -0.01 0.00 -0.06 0.00 0.00 31.44 30.14 1x1w n GLU 60 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x1w n GLY 61 N 1.08 -0.50 0.19 8.31 0.00 0.32 -4.89 105.19 109.70 1x1w n GLY 61 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1x1w n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1w h LYS 62 N -0.05 0.00 -6.52 1.61 1.57 -1.91 -3.45 116.57 107.83 1x1w h LYS 62 Ca -0.49 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.77 1x1w h LYS 62 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.64 1x1w h LYS 62 CO 0.57 0.31 -0.01 -0.51 -0.57 0.00 0.00 179.45 179.24 1x1w s LEU 63 N -6.74 4.20 0.10 2.94 1.43 -1.26 -4.99 118.68 114.35 1x1w s LEU 63 Ca 0.02 1.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.94 1x1w s LEU 63 Cb 0.09 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1x1w s LEU 63 CO 0.67 -0.06 1.64 -2.16 0.23 0.00 0.00 176.35 176.67 1x1w s PRO 64 N -2.56 4.20 0.16 1.29 0.04 -1.26 -5.00 135.00 131.87 1x1w s PRO 64 Ca 0.47 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.89 1x1w s PRO 64 Cb -0.12 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1x1w s PRO 64 CO 0.19 -0.70 0.22 0.20 0.04 0.00 0.00 177.00 176.96 1x1w s GLY 65 N 2.09 1.70 0.03 0.56 0.00 -1.26 -5.08 107.32 105.36 1x1w s GLY 65 Ca 0.73 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.12 1x1w s GLY 65 CO 0.32 -1.12 0.51 1.25 0.00 0.00 0.00 173.10 174.06 1x1w s LYS 66 N -3.21 1.00 0.13 2.90 2.20 -1.26 -5.06 119.74 116.44 1x1w s LYS 66 Ca 0.33 -0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.42 1x1w s LYS 66 Cb -0.11 0.46 -0.11 0.00 -1.51 0.00 0.00 37.83 36.56 1x1w s LYS 66 CO 0.26 -0.35 1.83 -1.12 -0.36 0.00 0.00 175.35 175.62 1x1w s SER 67 N -1.87 6.41 0.00 1.43 0.01 -1.26 -0.80 113.70 117.63 1x1w s SER 67 Ca -0.06 2.79 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1x1w s SER 67 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1x1w s SER 67 CO -0.00 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1x1w n GLY 68 N 4.23 2.17 3.66 3.44 0.00 -1.26 -4.99 105.19 112.44 1x1w n GLY 68 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1x1w n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1w s ARG 69 N -0.16 4.24 0.14 1.61 3.52 0.02 -4.91 118.95 123.42 1x1w s ARG 69 Ca 0.00 1.03 0.11 0.00 -0.13 0.00 0.00 55.73 56.74 1x1w s ARG 69 Cb 0.00 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1x1w s ARG 69 CO 0.00 -0.45 -0.26 0.95 -0.81 0.00 0.00 175.30 174.73 1x1w s THR 70 N 2.60 2.24 0.15 4.11 -4.23 -1.26 -4.62 115.64 114.63 1x1w s THR 70 Ca 0.37 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1x1w s THR 70 Cb -0.16 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1x1w s THR 70 CO 0.09 0.03 -0.11 0.26 -0.54 0.00 0.00 174.62 174.36 1x1w s TRP 71 N -1.22 2.66 0.15 3.99 0.52 -1.26 -0.57 118.94 123.21 1x1w s TRP 71 Ca 0.15 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.10 1x1w s TRP 71 Cb -0.09 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 1x1w s TRP 71 CO 0.07 0.47 -0.05 1.03 0.02 0.00 0.00 176.95 178.49 1x1w s ARG 72 N -2.54 1.04 0.06 4.98 0.52 0.25 0.02 118.95 123.29 1x1w s ARG 72 Ca 0.23 -1.47 -0.00 0.00 -0.52 0.00 0.00 55.73 53.97 1x1w s ARG 72 Cb -0.10 -0.40 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 1x1w s ARG 72 CO 0.14 -0.03 -0.04 -1.83 0.02 0.00 0.00 175.30 173.56 1x1w s GLU 73 N -3.84 0.66 -0.02 3.54 -1.05 -0.59 -1.46 118.70 115.95 1x1w s GLU 73 Ca 0.19 -1.22 -0.16 0.00 -0.15 0.00 0.00 54.97 53.63 1x1w s GLU 73 Cb 0.05 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.83 1x1w s GLU 73 CO 0.01 -0.08 0.33 0.00 0.95 0.00 0.00 175.26 176.47 1x1w s ALA 74 N -3.67 -0.83 0.37 -0.84 0.00 -0.71 0.40 121.76 116.49 1x1w s ALA 74 Ca 0.07 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 1x1w s ALA 74 Cb 0.06 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1x1w s ALA 74 CO -0.08 -0.26 1.02 -0.51 0.00 0.00 0.00 175.76 175.93 1x1w s ASP 75 N -1.32 6.95 0.04 0.00 1.11 0.29 -0.59 116.67 123.15 1x1w s ASP 75 Ca -0.13 1.99 0.08 0.00 0.18 0.00 0.00 52.55 54.67 1x1w s ASP 75 Cb -0.05 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1x1w s ASP 75 CO 0.04 -0.35 -0.23 -0.63 1.18 0.00 0.00 175.17 175.18 1x1w s ILE 76 N -1.62 1.86 -1.39 0.77 -1.09 -0.03 -4.74 121.20 114.95 1x1w s ILE 76 Ca 0.55 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1x1w s ILE 76 Cb -0.21 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 1x1w s ILE 76 CO 0.27 0.27 0.00 0.59 -1.23 0.00 0.00 174.94 174.84 1x1w n ASN 77 N 1.82 -4.55 -4.82 3.58 3.02 -0.43 -4.46 115.26 109.42 1x1w n ASN 77 Ca -0.17 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 1x1w n ASN 77 Cb 0.53 -3.31 -0.06 0.00 -0.61 0.00 0.00 39.78 36.33 1x1w n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1w s TYR 78 N -2.52 3.65 0.16 3.10 5.04 -1.26 -4.97 117.35 120.55 1x1w s TYR 78 Ca 0.00 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 1x1w s TYR 78 Cb 0.00 -2.56 0.00 0.00 0.35 0.00 0.00 41.96 39.75 1x1w s TYR 78 CO 0.00 0.37 0.00 0.25 -1.34 0.00 0.00 175.55 174.83 1x1w n THR 79 N 0.78 0.28 -3.81 4.34 -2.24 -1.26 -4.99 114.28 107.38 1x1w n THR 79 Ca -0.03 0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1x1w n THR 79 Cb 0.51 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 1x1w n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x1w s SER 80 N -5.01 -0.13 0.83 3.42 1.04 -1.26 -4.68 113.70 107.90 1x1w s SER 80 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x1w s SER 80 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x1w s SER 80 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1x1w n GLY 81 N -0.27 0.36 3.88 7.32 0.00 -1.22 -4.85 105.19 110.41 1x1w n GLY 81 Ca -0.10 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1x1w n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1w s PHE 82 N 0.00 3.45 0.68 1.61 0.08 -1.26 -4.27 117.98 118.27 1x1w s PHE 82 Ca 0.00 0.97 -0.13 0.00 0.12 0.00 0.00 56.93 57.89 1x1w s PHE 82 Cb 0.00 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1x1w s PHE 82 CO 0.00 0.03 1.08 1.03 -0.10 0.00 0.00 175.22 177.27 1x1w s ARG 83 N -3.51 2.79 0.00 0.44 0.52 -1.26 -4.95 118.95 112.98 1x1w s ARG 83 Ca 0.50 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 1x1w s ARG 83 Cb -0.10 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1x1w s ARG 83 CO 0.27 -1.24 0.00 0.27 0.02 0.00 0.00 175.30 174.63 1x1w n ASN 84 N -2.78 0.21 -1.25 0.23 0.23 -1.26 -5.04 115.26 105.61 1x1w n ASN 84 Ca 0.09 -0.39 0.09 0.00 -0.53 0.00 0.00 54.58 53.84 1x1w n ASN 84 Cb 0.53 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.52 1x1w n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1w n SER 85 N -1.07 4.18 -4.62 0.53 3.41 -1.26 -4.95 113.62 109.83 1x1w n SER 85 Ca 0.00 -2.43 -0.36 0.00 -0.26 0.00 0.00 58.87 55.82 1x1w n SER 85 Cb 0.00 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 1x1w n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1w s ASP 86 N -1.12 5.91 0.02 4.04 1.01 -1.26 -2.25 116.67 123.03 1x1w s ASP 86 Ca 0.43 0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.76 1x1w s ASP 86 Cb 0.28 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 1x1w s ASP 86 CO 0.20 0.06 -0.04 -0.13 0.21 0.00 0.00 175.17 175.47 1x1w s ARG 87 N 1.08 0.35 -0.08 8.23 1.81 -0.41 -0.85 118.95 129.08 1x1w s ARG 87 Ca 0.07 -0.58 0.01 0.00 -1.72 0.00 0.00 55.73 53.51 1x1w s ARG 87 Cb -0.14 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 1x1w s ARG 87 CO 0.04 -0.01 -0.10 -1.50 -0.68 0.00 0.00 175.30 173.06 1x1w s ILE 88 N -1.24 3.44 -0.10 1.52 -1.16 0.24 -1.52 121.20 122.38 1x1w s ILE 88 Ca -0.12 -0.57 0.04 0.00 -0.51 0.00 0.00 60.65 59.49 1x1w s ILE 88 Cb -0.09 -2.40 0.00 0.00 0.61 0.00 0.00 42.46 40.58 1x1w s ILE 88 CO -0.00 0.58 -0.23 -0.76 -2.81 0.00 0.00 174.94 171.72 1x1w s LEU 89 N -0.56 2.04 -0.01 8.50 2.01 0.58 -1.75 118.68 129.49 1x1w s LEU 89 Ca 0.08 -0.53 0.01 0.00 0.01 0.00 0.00 54.13 53.70 1x1w s LEU 89 Cb -0.12 -1.34 0.01 0.00 0.01 0.00 0.00 46.19 44.75 1x1w s LEU 89 CO 0.02 0.15 -0.03 -0.72 1.01 0.00 0.00 176.35 176.78 1x1w s TYR 90 N 0.37 0.37 0.57 0.29 1.13 -0.54 0.12 117.35 119.67 1x1w s TYR 90 Ca -0.18 -0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.46 1x1w s TYR 90 Cb -0.18 -0.32 0.06 0.00 -1.10 0.00 0.00 41.96 40.43 1x1w s TYR 90 CO 0.08 -0.06 0.79 -1.54 -2.51 0.00 0.00 175.55 172.31 1x1w s SER 91 N 0.33 5.08 0.54 -0.18 1.04 -0.82 -0.58 113.70 119.11 1x1w s SER 91 Ca -0.03 -0.38 0.30 0.00 0.48 0.00 0.00 55.95 56.32 1x1w s SER 91 Cb -0.06 -0.34 1.55 0.00 0.10 0.00 0.00 66.02 67.26 1x1w s SER 91 CO -0.01 -1.29 2.09 0.77 0.98 0.00 0.00 173.24 175.78 1x1w h SER 92 N 0.06 0.00 -0.64 7.02 4.64 -1.19 -1.70 113.55 121.75 1x1w h SER 92 Ca -0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.64 1x1w h SER 92 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 1x1w h SER 92 CO 0.45 0.09 0.25 -0.90 -0.87 0.00 0.00 176.83 175.85 1x1w n ASP 93 N -3.47 3.34 -3.94 4.97 5.75 -1.26 -4.97 116.55 116.97 1x1w n ASP 93 Ca -0.02 -3.60 -0.31 0.00 -0.01 0.00 0.00 54.79 50.86 1x1w n ASP 93 Cb 0.23 -0.72 0.02 0.00 -1.03 0.00 0.00 41.12 39.62 1x1w n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1w n TRP 94 N -0.97 -2.27 -3.11 2.11 7.02 -0.64 -5.00 117.44 114.57 1x1w n TRP 94 Ca 0.44 0.90 -0.38 0.00 -1.02 0.00 0.00 57.50 57.44 1x1w n TRP 94 Cb 1.32 -3.91 -0.06 0.00 -2.42 0.00 0.00 31.31 26.23 1x1w n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1w s LEU 95 N -7.29 4.46 -0.10 -0.99 1.43 -1.26 -4.86 118.68 110.07 1x1w s LEU 95 Ca 0.67 1.44 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 1x1w s LEU 95 Cb -0.34 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1x1w s LEU 95 CO 0.84 0.14 -0.11 -0.63 0.23 0.00 0.00 176.35 176.82 1x1w s ILE 96 N -1.32 1.22 0.39 -0.59 1.01 -1.26 -1.95 121.20 118.70 1x1w s ILE 96 Ca 0.37 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1x1w s ILE 96 Cb -0.19 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 1x1w s ILE 96 CO 0.22 0.39 0.03 -0.31 0.00 0.00 0.00 174.94 175.27 1x1w s TYR 97 N 1.17 2.26 0.05 3.97 1.51 0.12 -0.70 117.35 125.73 1x1w s TYR 97 Ca -0.04 -0.81 -0.07 0.00 -1.01 0.00 0.00 57.07 55.14 1x1w s TYR 97 Cb -0.14 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1x1w s TYR 97 CO -0.03 0.26 0.13 -1.59 -1.11 0.00 0.00 175.55 173.21 1x1w s LYS 98 N -3.78 0.67 -0.02 -0.62 -2.85 -0.54 -0.31 119.74 112.30 1x1w s LYS 98 Ca 0.33 -0.81 -0.02 0.00 -1.00 0.00 0.00 55.97 54.46 1x1w s LYS 98 Cb 0.09 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1x1w s LYS 98 CO 0.16 -0.18 0.06 -0.08 0.10 0.00 0.00 175.35 175.40 1x1w s THR 99 N -3.00 0.01 0.00 3.79 -1.32 -0.57 -1.52 115.64 113.02 1x1w s THR 99 Ca -0.02 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1x1w s THR 99 Cb 0.01 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.88 1x1w s THR 99 CO -0.06 -0.05 0.27 0.35 -2.21 0.00 0.00 174.62 172.92 1x1w n THR 100 N 2.88 0.00 -1.92 5.08 -2.24 -1.26 -1.28 114.28 115.55 1x1w n THR 100 Ca -0.13 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 60.94 1x1w n THR 100 Cb 0.59 1.08 0.03 0.00 -2.10 0.00 0.00 70.33 69.93 1x1w n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1w n ASP 101 N -0.33 5.62 -3.67 3.42 5.68 -1.24 -4.50 116.55 121.54 1x1w n ASP 101 Ca 0.00 -3.76 -0.25 0.00 -0.50 0.00 0.00 54.79 50.29 1x1w n ASP 101 Cb 0.02 -0.52 0.03 0.00 -1.14 0.00 0.00 41.12 39.51 1x1w n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1w n HIS 102 N -0.72 -1.94 -1.20 2.11 -0.00 -0.95 -2.67 115.22 109.83 1x1w n HIS 102 Ca 0.48 0.69 -0.07 0.00 -0.00 0.00 0.00 57.72 58.82 1x1w n HIS 102 Cb 0.84 -3.95 -0.03 0.00 -0.00 0.00 0.00 29.99 26.85 1x1w n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1w n TYR 103 N -4.13 0.00 0.06 1.57 4.02 -1.26 -4.91 117.16 112.52 1x1w n TYR 103 Ca -0.20 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.48 1x1w n TYR 103 Cb 0.64 -1.81 -0.12 0.00 -0.02 0.00 0.00 39.34 38.03 1x1w n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1x1w h GLN 104 N 0.18 0.63 -3.77 -0.72 4.20 -1.93 -3.46 115.11 110.24 1x1w h GLN 104 Ca -0.14 -0.76 -0.19 0.00 0.06 0.00 0.00 58.65 57.62 1x1w h GLN 104 Cb 0.72 0.24 -0.24 0.00 0.30 0.00 0.00 27.48 28.50 1x1w h GLN 104 CO 0.21 1.33 -0.67 0.95 -0.67 0.00 0.00 178.83 179.98 1x1w s THR 105 N -3.11 0.05 -0.02 -0.54 -4.23 -1.26 -5.12 115.64 101.41 1x1w s THR 105 Ca -0.10 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.02 1x1w s THR 105 Cb 0.06 -0.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.70 1x1w s THR 105 CO 0.92 -0.25 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.20 1x1w s PHE 106 N -0.74 1.71 -0.04 3.99 0.08 -1.26 -4.44 117.98 117.29 1x1w s PHE 106 Ca -0.08 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.67 1x1w s PHE 106 Cb -0.05 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 1x1w s PHE 106 CO -0.00 -0.05 -0.17 0.95 -0.10 0.00 0.00 175.22 175.84 1x1w s THR 107 N -0.38 1.43 0.16 0.64 -4.23 -0.58 -4.92 115.64 107.77 1x1w s THR 107 Ca 0.06 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 1x1w s THR 107 Cb -0.08 -1.22 -0.08 0.00 1.34 0.00 0.00 72.50 72.46 1x1w s THR 107 CO -0.00 0.41 1.30 -0.75 -0.54 0.00 0.00 174.62 175.03 1x1w s LYS 108 N -0.09 4.39 0.00 3.99 2.20 -1.26 -1.46 119.74 127.51 1x1w s LYS 108 Ca -0.01 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 1x1w s LYS 108 Cb -0.10 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1x1w s LYS 108 CO 0.01 -0.27 0.08 0.44 -0.36 0.00 0.00 175.35 175.26 1x1w n ILE 109 N 3.07 0.00 -1.78 5.43 -5.35 0.12 -4.96 119.36 115.90 1x1w n ILE 109 Ca 0.07 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1x1w n ILE 109 Cb 0.43 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1x1w n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33