#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4o s LEU 2 N 0.00 3.75 0.02 4.03 2.96 -1.26 0.23 118.68 128.41 3k4o s LEU 2 Ca 0.00 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 3k4o s LEU 2 Cb 0.00 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3k4o s LEU 2 CO 0.00 0.11 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.00 3k4o s THR 3 N 0.75 1.98 -0.25 3.68 2.01 -0.31 -0.32 115.64 123.17 3k4o s THR 3 Ca 0.04 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.83 3k4o s THR 3 Cb -0.13 -1.68 0.05 0.00 0.01 0.00 0.00 72.50 70.75 3k4o s THR 3 CO 0.02 0.41 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 3k4o s ILE 4 N -0.71 2.29 -0.23 1.82 1.01 -0.05 -2.11 121.20 123.21 3k4o s ILE 4 Ca 0.10 -1.43 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 3k4o s ILE 4 Cb -0.10 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 3k4o s ILE 4 CO 0.01 0.09 0.15 -0.22 0.00 0.00 0.00 174.94 174.97 3k4o s LEU 5 N 1.17 4.06 -0.22 2.97 0.20 -0.60 -0.59 118.68 125.66 3k4o s LEU 5 Ca -0.05 0.09 -0.06 0.00 0.69 0.00 0.00 54.13 54.80 3k4o s LEU 5 Cb -0.18 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.47 3k4o s LEU 5 CO -0.06 0.07 0.03 -0.75 -0.29 0.00 0.00 176.35 175.36 3k4o s LYS 6 N 1.01 3.65 -0.49 1.98 2.36 0.10 -1.06 119.74 127.29 3k4o s LYS 6 Ca 0.07 -0.49 -0.16 0.00 -2.55 0.00 0.00 55.97 52.84 3k4o s LYS 6 Cb -0.13 -3.20 0.08 0.00 -1.05 0.00 0.00 37.83 33.53 3k4o s LYS 6 CO 0.04 -0.07 0.45 -0.51 1.55 0.00 0.00 175.35 176.81 3k4o s LEU 7 N 1.26 5.61 0.30 5.43 1.43 0.94 -0.45 118.68 133.20 3k4o s LEU 7 Ca 0.04 -1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 51.53 3k4o s LEU 7 Cb -0.15 -2.22 -0.14 0.00 0.03 0.00 0.00 46.19 43.71 3k4o s LEU 7 CO 0.02 -0.72 0.97 0.61 0.23 0.00 0.00 176.35 177.46 3k4o n GLY 8 N 5.21 -0.37 0.36 -3.19 0.00 0.10 -3.92 105.19 103.38 3k4o n GLY 8 Ca -0.12 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3k4o n GLY 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k4o h GLY 9 N 1.86 1.67 1.18 -0.02 0.00 -1.90 -2.06 103.07 103.80 3k4o h GLY 9 Ca -0.39 -0.41 0.08 0.00 0.00 0.00 0.00 47.33 46.61 3k4o h GLY 9 CO 0.60 0.12 0.35 1.48 0.00 0.00 0.00 176.54 179.09 3k4o h SER 10 N 0.96 0.33 0.60 0.19 4.64 -1.89 -1.16 113.55 117.21 3k4o h SER 10 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3k4o h SER 10 Cb 0.56 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3k4o h SER 10 CO -0.29 0.20 -0.27 2.30 -0.87 0.00 0.00 176.83 177.91 3k4o n ILE 11 N -4.47 0.00 -0.02 0.95 -5.35 -0.78 -4.02 119.36 105.68 3k4o n ILE 11 Ca 0.08 -0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.56 3k4o n ILE 11 Cb 0.33 -0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.13 3k4o n ILE 11 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k4o n LEU 12 N -1.34 0.00 -4.11 7.28 4.77 -0.87 -4.52 117.00 118.20 3k4o n LEU 12 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3k4o n LEU 12 Cb 0.33 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3k4o n LEU 12 CO 0.30 0.07 0.03 -0.55 -1.33 0.00 0.00 177.39 175.91 3k4o s SER 13 N -3.52 0.54 -0.31 -1.43 0.15 -0.50 -1.11 113.70 107.52 3k4o s SER 13 Ca -0.04 -1.34 0.01 0.00 0.70 0.00 0.00 55.95 55.27 3k4o s SER 13 Cb 0.06 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 65.00 3k4o s SER 13 CO 0.44 -1.12 0.01 -0.62 1.20 0.00 0.00 173.24 173.15 3k4o s ASP 14 N -3.17 4.80 0.54 5.45 -1.08 -1.26 -4.39 116.67 117.55 3k4o s ASP 14 Ca 0.31 -1.62 0.29 0.00 -0.52 0.00 0.00 52.55 51.02 3k4o s ASP 14 Cb 0.02 -1.67 1.46 0.00 -1.46 0.00 0.00 42.92 41.27 3k4o s ASP 14 CO 0.16 -0.31 1.92 0.07 0.52 0.00 0.00 175.17 177.53 3k4o h LYS 15 N 7.86 0.00 0.00 4.34 -0.00 -1.90 0.36 116.57 127.23 3k4o h LYS 15 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 3k4o h LYS 15 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 3k4o h LYS 15 CO 0.53 0.00 0.00 0.09 -0.00 0.00 0.00 179.45 180.07 3k4o n ASN 16 N -4.22 0.37 -3.89 7.07 3.02 -1.26 -4.48 115.26 111.87 3k4o n ASN 16 Ca 0.14 0.55 -0.30 0.00 -0.03 0.00 0.00 54.58 54.94 3k4o n ASN 16 Cb 0.81 -0.65 -0.15 0.00 -0.61 0.00 0.00 39.78 39.18 3k4o n ASN 16 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k4o s VAL 17 N -3.09 1.71 0.20 2.41 1.01 0.13 -5.10 120.40 117.66 3k4o s VAL 17 Ca 0.10 -2.01 -0.32 0.00 0.00 0.00 0.00 61.98 59.74 3k4o s VAL 17 Cb 0.13 -2.27 -0.14 0.00 0.00 0.00 0.00 36.38 34.11 3k4o s VAL 17 CO 0.48 -0.65 1.40 -2.65 0.00 0.00 0.00 175.10 173.69 3k4o n PRO 18 N 4.43 1.86 -2.34 2.72 -0.02 -1.26 -1.57 135.00 138.82 3k4o n PRO 18 Ca 0.02 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 3k4o n PRO 18 Cb 0.41 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3k4o n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k4o n TYR 19 N 2.23 -0.73 -3.44 6.00 4.01 0.91 -5.00 117.16 121.14 3k4o n TYR 19 Ca 0.14 0.06 -0.34 0.00 -0.16 0.00 0.00 57.90 57.60 3k4o n TYR 19 Cb 0.29 -2.91 -0.06 0.00 -0.31 0.00 0.00 39.34 36.35 3k4o n TYR 19 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k4o s SER 20 N -2.49 6.71 -0.05 7.72 0.15 -0.61 -5.07 113.70 120.07 3k4o s SER 20 Ca 0.04 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.63 3k4o s SER 20 Cb -0.02 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 3k4o s SER 20 CO 0.04 0.07 -0.02 -0.63 1.20 0.00 0.00 173.24 173.90 3k4o s ILE 21 N -1.56 0.39 -1.21 6.45 -1.09 -1.26 -4.36 121.20 118.57 3k4o s ILE 21 Ca 0.40 0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.70 3k4o s ILE 21 Cb -0.14 -0.48 0.18 0.00 -1.58 0.00 0.00 42.46 40.44 3k4o s ILE 21 CO 0.20 0.22 1.44 0.29 -1.23 0.00 0.00 174.94 175.86 3k4o n LYS 22 N 4.47 3.41 -0.19 2.79 5.02 -0.27 -4.87 118.16 128.52 3k4o n LYS 22 Ca -0.19 -3.89 -0.02 0.00 -2.02 0.00 0.00 58.31 52.20 3k4o n LYS 22 Cb 0.50 -2.99 0.05 0.00 -0.02 0.00 0.00 35.03 32.58 3k4o n LYS 22 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 3k4o h TRP 23 N 6.98 -0.31 -0.53 2.13 4.06 -1.96 -0.76 115.95 125.55 3k4o h TRP 23 Ca 0.31 0.05 -0.02 0.00 2.06 0.00 0.00 58.89 61.29 3k4o h TRP 23 Cb 0.85 0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 29.21 3k4o h TRP 23 CO 1.08 -0.25 0.26 -0.44 -3.56 0.00 0.00 178.44 175.53 3k4o h ASP 24 N -0.00 0.70 -0.10 -3.49 3.32 -1.99 -1.03 116.42 113.83 3k4o h ASP 24 Ca 0.28 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3k4o h ASP 24 Cb 0.42 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3k4o h ASP 24 CO -0.60 0.63 0.05 -1.13 -1.72 0.00 0.00 179.24 176.47 3k4o h ASN 25 N 0.72 0.13 -0.53 6.45 -0.00 -1.75 -0.56 115.58 120.02 3k4o h ASN 25 Ca 0.18 -0.11 0.07 0.00 -0.00 0.00 0.00 56.30 56.45 3k4o h ASN 25 Cb 0.11 -0.03 -0.06 0.00 -0.00 0.00 0.00 38.32 38.34 3k4o h ASN 25 CO -0.02 0.20 0.20 0.25 -0.00 0.00 0.00 177.43 178.06 3k4o h LEU 26 N 0.04 0.21 -0.51 0.34 5.85 -0.96 0.21 115.31 120.49 3k4o h LEU 26 Ca 0.03 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3k4o h LEU 26 Cb 0.11 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3k4o h LEU 26 CO -0.00 0.14 0.05 -0.33 -0.34 0.00 0.00 178.44 177.95 3k4o h GLU 27 N 0.38 0.87 -0.14 1.25 5.08 -0.97 0.43 114.58 121.48 3k4o h GLU 27 Ca 0.26 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3k4o h GLU 27 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3k4o h GLU 27 CO -0.26 0.88 0.08 -0.09 -1.00 0.00 0.00 179.01 178.62 3k4o h ARG 28 N 0.74 0.18 -0.29 2.33 2.43 -0.50 0.15 114.38 119.42 3k4o h ARG 28 Ca 0.15 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3k4o h ARG 28 Cb 0.45 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3k4o h ARG 28 CO 0.02 0.15 0.04 0.82 -1.51 0.00 0.00 179.97 179.48 3k4o h ILE 29 N 0.16 0.83 -0.54 1.20 2.04 -0.38 0.16 117.51 120.98 3k4o h ILE 29 Ca 0.05 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3k4o h ILE 29 Cb 0.01 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3k4o h ILE 29 CO -0.01 0.02 0.30 0.00 0.00 0.00 0.00 178.15 178.47 3k4o h ALA 30 N 1.23 0.69 -0.22 1.87 0.00 -0.63 -1.02 119.26 121.18 3k4o h ALA 30 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k4o h ALA 30 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k4o h ALA 30 CO -0.20 -0.01 0.11 1.98 0.00 0.00 0.00 179.25 181.13 3k4o h MET 31 N 0.59 0.22 -0.78 0.00 1.85 0.22 -0.07 114.93 116.97 3k4o h MET 31 Ca 0.23 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.31 3k4o h MET 31 Cb 0.08 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.02 3k4o h MET 31 CO -0.12 0.15 0.51 0.93 -0.40 0.00 0.00 176.91 177.98 3k4o h GLU 32 N 0.23 1.01 -0.74 0.39 5.08 -0.34 -0.22 114.58 119.99 3k4o h GLU 32 Ca 0.09 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3k4o h GLU 32 Cb 0.03 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3k4o h GLU 32 CO -0.06 0.67 0.36 0.82 -1.00 0.00 0.00 179.01 179.80 3k4o h ILE 33 N 1.04 1.24 -0.11 3.13 2.04 -0.79 -1.48 117.51 122.58 3k4o h ILE 33 Ca 0.29 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3k4o h ILE 33 Cb -0.10 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 3k4o h ILE 33 CO -0.07 0.28 0.07 0.50 0.00 0.00 0.00 178.15 178.93 3k4o h LYS 34 N 1.04 0.14 -0.65 2.37 1.63 -0.21 -1.57 116.57 119.32 3k4o h LYS 34 Ca 0.26 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3k4o h LYS 34 Cb 0.10 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 3k4o h LYS 34 CO -0.03 0.12 0.42 -0.91 -3.45 0.00 0.00 179.45 175.59 3k4o h ASN 35 N 0.12 0.76 -0.28 4.20 2.35 -0.80 -1.16 115.58 120.78 3k4o h ASN 35 Ca 0.04 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3k4o h ASN 35 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3k4o h ASN 35 CO -0.01 0.57 -0.02 0.00 -1.65 0.00 0.00 177.43 176.32 3k4o h ALA 36 N 1.57 0.38 -0.49 -0.83 0.00 -0.93 -0.07 119.26 118.89 3k4o h ALA 36 Ca 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3k4o h ALA 36 Cb -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3k4o h ALA 36 CO -0.05 0.14 0.14 -0.07 0.00 0.00 0.00 179.25 179.41 3k4o h LEU 37 N 0.28 0.67 -0.70 0.00 3.38 -0.90 -1.89 115.31 116.15 3k4o h LEU 37 Ca 0.08 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3k4o h LEU 37 Cb 0.46 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3k4o h LEU 37 CO 0.02 0.64 -0.40 0.44 0.09 0.00 0.00 178.44 179.24 3k4o h ASP 38 N 0.71 0.57 0.10 -0.43 3.32 -0.98 -2.72 116.42 116.98 3k4o h ASP 38 Ca 0.16 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3k4o h ASP 38 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3k4o h ASP 38 CO -0.01 0.91 -0.08 0.22 -1.72 0.00 0.00 179.24 178.56 3k4o h TYR 39 N 0.45 -0.21 -0.15 4.55 3.20 -0.23 -1.06 116.97 123.52 3k4o h TYR 39 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3k4o h TYR 39 Cb 0.89 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3k4o h TYR 39 CO 0.03 -0.13 0.10 1.88 -1.64 0.00 0.00 178.16 178.40 3k4o h TYR 40 N -0.19 0.19 0.00 -3.82 -1.99 -1.37 -2.01 116.97 107.78 3k4o h TYR 40 Ca -0.00 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 3k4o h TYR 40 Cb 0.18 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3k4o h TYR 40 CO -0.10 0.12 -0.25 1.57 -0.00 0.00 0.00 178.16 179.50 3k4o h LYS 41 N 0.20 0.00 0.00 4.88 2.10 -1.45 0.42 116.57 122.72 3k4o h LYS 41 Ca 0.05 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.62 3k4o h LYS 41 Cb -0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 3k4o h LYS 41 CO -0.01 0.25 -0.38 -0.97 -2.00 0.00 0.00 179.45 176.33 3k4o h ASN 42 N 0.00 0.00 -0.06 7.07 -0.73 -0.75 0.67 115.58 121.77 3k4o h ASN 42 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3k4o h ASN 42 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.21 3k4o h ASN 42 CO 0.03 0.38 0.00 0.00 -0.37 0.00 0.00 177.43 177.48 3k4o n GLN 43 N -3.93 1.75 -3.66 6.67 1.13 -0.36 -4.91 117.38 114.07 3k4o n GLN 43 Ca -0.02 -1.10 -0.24 0.00 -1.94 0.00 0.00 57.00 53.70 3k4o n GLN 43 Cb 0.44 -1.46 0.06 0.00 0.11 0.00 0.00 30.24 29.39 3k4o n GLN 43 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3k4o n ASN 44 N 0.33 -4.67 -4.27 1.08 5.15 0.23 -4.98 115.26 108.14 3k4o n ASN 44 Ca 0.18 -0.65 -0.35 0.00 -0.60 0.00 0.00 54.58 53.17 3k4o n ASN 44 Cb 0.37 -4.65 -0.14 0.00 -0.53 0.00 0.00 39.78 34.83 3k4o n ASN 44 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3k4o s LYS 45 N -6.20 3.30 -0.15 1.20 2.36 0.13 -4.97 119.74 115.42 3k4o s LYS 45 Ca 0.44 -0.67 -0.29 0.00 -2.55 0.00 0.00 55.97 52.90 3k4o s LYS 45 Cb -0.21 -2.90 -0.02 0.00 -1.05 0.00 0.00 37.83 33.65 3k4o s LYS 45 CO 0.76 -0.18 1.35 -2.00 1.55 0.00 0.00 175.35 176.83 3k4o s GLU 46 N 1.39 4.20 -0.15 4.03 2.56 -1.26 -3.93 118.70 125.54 3k4o s GLU 46 Ca 0.05 1.75 -0.00 0.00 0.00 0.00 0.00 54.97 56.76 3k4o s GLU 46 Cb -0.14 -3.82 0.03 0.00 2.00 0.00 0.00 34.13 32.21 3k4o s GLU 46 CO -0.05 -0.77 -0.07 -1.50 -0.56 0.00 0.00 175.26 172.31 3k4o s ILE 47 N 3.68 1.16 -0.11 -3.70 2.07 -1.26 -4.58 121.20 118.46 3k4o s ILE 47 Ca 0.59 -0.55 -0.20 0.00 -1.41 0.00 0.00 60.65 59.08 3k4o s ILE 47 Cb -0.24 -1.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.06 3k4o s ILE 47 CO 0.18 0.23 0.56 -0.54 -1.91 0.00 0.00 174.94 173.46 3k4o s LYS 48 N 1.63 4.36 -0.06 3.50 1.02 0.14 -5.01 119.74 125.32 3k4o s LYS 48 Ca 0.02 0.60 0.02 0.00 0.02 0.00 0.00 55.97 56.63 3k4o s LYS 48 Cb -0.14 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 3k4o s LYS 48 CO -0.08 0.10 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.16 3k4o s LEU 49 N 0.78 1.68 -0.09 3.17 2.96 -1.26 -1.17 118.68 124.75 3k4o s LEU 49 Ca 0.30 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3k4o s LEU 49 Cb -0.16 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 3k4o s LEU 49 CO 0.13 0.05 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.34 3k4o s ILE 50 N 0.53 2.04 -0.08 6.68 1.01 -0.90 -3.91 121.20 126.57 3k4o s ILE 50 Ca -0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 3k4o s ILE 50 Cb -0.14 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3k4o s ILE 50 CO 0.03 0.56 -0.03 -0.76 0.00 0.00 0.00 174.94 174.73 3k4o s LEU 51 N 0.26 3.37 -0.01 2.97 1.43 -0.03 -1.56 118.68 125.11 3k4o s LEU 51 Ca -0.16 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3k4o s LEU 51 Cb -0.17 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3k4o s LEU 51 CO 0.08 0.36 -0.13 -0.69 0.23 0.00 0.00 176.35 176.20 3k4o s VAL 52 N -0.81 1.03 0.01 -1.59 1.01 -0.23 -0.50 120.40 119.33 3k4o s VAL 52 Ca 0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3k4o s VAL 52 Cb -0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3k4o s VAL 52 CO 0.02 0.28 0.07 -1.38 0.00 0.00 0.00 175.10 174.09 3k4o s HIS 53 N -0.33 0.14 0.32 5.22 -3.43 -0.54 -0.04 115.29 116.63 3k4o s HIS 53 Ca 0.05 -0.33 -0.03 0.00 -0.80 0.00 0.00 55.06 53.95 3k4o s HIS 53 Cb -0.05 -0.11 0.07 0.00 -1.43 0.00 0.00 32.58 31.06 3k4o s HIS 53 CO -0.00 -0.26 0.44 0.41 -2.00 0.00 0.00 174.74 173.32 3k4o n GLY 54 N 1.41 -0.22 0.00 -1.38 0.00 -1.25 -1.03 105.19 102.71 3k4o n GLY 54 Ca -0.23 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.07 3k4o n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4o n GLY 55 N 1.88 -1.37 7.00 -0.02 0.00 -1.26 -4.46 105.19 106.96 3k4o n GLY 55 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3k4o n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4o n GLY 56 N 1.13 2.79 1.90 -0.02 0.00 -1.26 -0.78 105.19 108.95 3k4o n GLY 56 Ca 0.06 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 3k4o n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4o n ALA 57 N 10.19 4.54 -0.06 4.61 0.00 -1.26 -4.39 120.51 134.13 3k4o n ALA 57 Ca 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 53.44 50.91 3k4o n ALA 57 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 3k4o n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k4o n PHE 58 N -0.30 0.00 0.00 0.00 3.72 0.04 -0.06 117.46 120.86 3k4o n PHE 58 Ca 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 3k4o n PHE 58 Cb 1.36 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3k4o n PHE 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4o n GLY 59 N 2.80 -1.96 0.35 1.37 0.00 -1.08 -3.78 105.19 102.88 3k4o n GLY 59 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 3k4o n GLY 59 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3k4o n HIS 60 N -1.75 -0.24 -0.29 1.61 -0.00 -1.26 0.26 115.22 113.55 3k4o n HIS 60 Ca 0.00 1.06 0.11 0.00 -0.00 0.00 0.00 57.72 58.88 3k4o n HIS 60 Cb 0.00 -0.65 0.25 0.00 -0.00 0.00 0.00 29.99 29.59 3k4o n HIS 60 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3k4o h PRO 61 N 0.00 0.21 0.05 1.57 0.11 -1.83 0.46 132.00 132.56 3k4o h PRO 61 Ca 0.19 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 3k4o h PRO 61 Cb 0.40 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3k4o h PRO 61 CO -0.81 0.14 -0.78 0.28 -0.21 0.00 0.00 178.00 176.61 3k4o h VAL 62 N 0.21 1.34 -0.83 3.15 2.07 -0.99 -3.36 116.25 117.85 3k4o h VAL 62 Ca 0.51 -2.35 0.08 0.00 0.82 0.00 0.00 66.70 65.77 3k4o h VAL 62 Cb 0.98 2.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.60 3k4o h VAL 62 CO -0.63 0.57 0.54 0.00 0.02 0.00 0.00 177.57 178.07 3k4o h ALA 63 N -0.12 1.66 -0.89 1.67 0.00 0.18 -1.25 119.26 120.51 3k4o h ALA 63 Ca -0.18 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.89 3k4o h ALA 63 Cb 1.36 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3k4o h ALA 63 CO -0.02 0.18 0.58 -0.22 0.00 0.00 0.00 179.25 179.78 3k4o h LYS 64 N 0.84 0.50 0.00 0.00 3.64 -0.23 0.32 116.57 121.64 3k4o h LYS 64 Ca 0.37 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3k4o h LYS 64 Cb 0.34 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3k4o h LYS 64 CO -0.14 0.33 -0.11 0.87 -2.27 0.00 0.00 179.45 178.13 3k4o h LYS 65 N 0.52 0.00 -0.35 1.90 1.57 -1.38 -2.83 116.57 116.00 3k4o h LYS 65 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3k4o h LYS 65 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3k4o h LYS 65 CO -0.20 0.11 0.00 0.66 -0.57 0.00 0.00 179.45 179.45 3k4o n TYR 66 N -3.92 0.60 -4.46 -1.35 4.01 0.10 -4.93 117.16 107.21 3k4o n TYR 66 Ca -0.02 -0.58 -0.33 0.00 -0.16 0.00 0.00 57.90 56.81 3k4o n TYR 66 Cb 0.20 -0.09 -0.15 0.00 -0.31 0.00 0.00 39.34 38.99 3k4o n TYR 66 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k4o s LEU 67 N -1.38 2.41 0.32 7.72 1.43 -0.78 -1.02 118.68 127.38 3k4o s LEU 67 Ca 0.28 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3k4o s LEU 67 Cb 0.17 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.78 3k4o s LEU 67 CO 0.15 0.07 0.06 -1.59 0.23 0.00 0.00 176.35 175.27 3k4o s LYS 68 N 0.92 1.63 -0.24 1.70 -2.85 0.89 -4.90 119.74 116.88 3k4o s LYS 68 Ca -0.04 -1.91 -0.06 0.00 -1.00 0.00 0.00 55.97 52.97 3k4o s LYS 68 Cb -0.15 -0.80 -0.02 0.00 -2.06 0.00 0.00 37.83 34.80 3k4o s LYS 68 CO -0.02 -0.21 0.04 0.42 0.10 0.00 0.00 175.35 175.68 3k4o s ILE 69 N -3.34 3.99 -0.41 3.79 -1.09 -1.26 0.01 121.20 122.88 3k4o s ILE 69 Ca 0.36 -0.32 0.24 0.00 -2.23 0.00 0.00 60.65 58.70 3k4o s ILE 69 Cb 0.09 -2.87 0.34 0.00 -1.58 0.00 0.00 42.46 38.44 3k4o s ILE 69 CO 0.15 0.34 1.63 -0.08 -1.23 0.00 0.00 174.94 175.75 3k4o h GLU 70 N 8.20 0.00 0.00 2.79 4.81 -1.93 -3.45 114.58 125.00 3k4o h GLU 70 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3k4o h GLU 70 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3k4o h GLU 70 CO 0.59 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.47 3k4o n ASP 71 N -3.09 0.00 0.00 1.04 5.68 -1.26 -4.95 116.55 113.97 3k4o n ASP 71 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 3k4o n ASP 71 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3k4o n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k4o n GLY 72 N 0.00 0.91 3.78 6.12 0.00 -1.26 -5.14 105.19 109.59 3k4o n GLY 72 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3k4o n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4o s LYS 73 N 0.00 2.24 -0.22 1.61 0.00 -1.26 -5.11 119.74 117.00 3k4o s LYS 73 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 55.97 53.90 3k4o s LYS 73 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 37.83 35.82 3k4o s LYS 73 CO 0.00 -0.23 0.42 -1.59 0.00 0.00 0.00 175.35 173.95 3k4o s LYS 74 N -3.98 4.13 -0.15 1.78 -2.85 -1.26 -3.23 119.74 114.18 3k4o s LYS 74 Ca 0.37 0.21 0.02 0.00 -1.00 0.00 0.00 55.97 55.57 3k4o s LYS 74 Cb 0.02 -3.58 0.01 0.00 -2.06 0.00 0.00 37.83 32.23 3k4o s LYS 74 CO 0.21 -0.14 -0.20 0.42 0.10 0.00 0.00 175.35 175.73 3k4o s ILE 75 N 1.63 2.15 -0.04 3.79 -1.09 0.10 -4.93 121.20 122.82 3k4o s ILE 75 Ca 0.19 -0.94 -0.26 0.00 -2.23 0.00 0.00 60.65 57.42 3k4o s ILE 75 Cb -0.15 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 3k4o s ILE 75 CO 0.09 0.54 0.80 -0.36 -1.23 0.00 0.00 174.94 174.78 3k4o s PHE 76 N 0.95 3.62 0.15 3.97 0.08 -1.26 -0.08 117.98 125.41 3k4o s PHE 76 Ca -0.04 1.42 0.06 0.00 0.12 0.00 0.00 56.93 58.49 3k4o s PHE 76 Cb -0.15 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 3k4o s PHE 76 CO -0.04 0.07 -0.14 0.96 -0.10 0.00 0.00 175.22 175.97 3k4o s ILE 77 N 0.81 1.45 -1.43 0.64 -4.36 -0.19 -4.84 121.20 113.28 3k4o s ILE 77 Ca 0.43 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.87 3k4o s ILE 77 Cb -0.19 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.75 3k4o s ILE 77 CO 0.22 -0.53 0.33 0.59 0.24 0.00 0.00 174.94 175.79 3k4o n ASN 78 N 0.11 -0.11 0.00 4.36 3.02 -1.26 -4.70 115.26 116.67 3k4o n ASN 78 Ca -0.12 -1.07 0.13 0.00 -0.03 0.00 0.00 54.58 53.49 3k4o n ASN 78 Cb 0.59 -2.73 0.71 0.00 -0.61 0.00 0.00 39.78 37.74 3k4o n ASN 78 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3k4o n MET 79 N -4.44 0.59 0.28 3.52 2.81 -1.26 -0.68 117.12 117.94 3k4o n MET 79 Ca -0.31 0.02 0.17 0.00 -1.81 0.00 0.00 57.70 55.77 3k4o n MET 79 Cb 0.69 -1.50 0.77 0.00 -0.71 0.00 0.00 33.22 32.47 3k4o n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3k4o h GLU 80 N 0.00 0.00 0.00 0.03 5.08 -2.01 -2.01 114.58 115.67 3k4o h GLU 80 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3k4o h GLU 80 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3k4o h GLU 80 CO 0.00 0.04 -1.54 1.63 -1.00 0.00 0.00 179.01 178.13 3k4o n LYS 81 N -3.18 0.23 -0.17 2.33 4.76 -0.93 -4.76 118.16 116.44 3k4o n LYS 81 Ca -0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3k4o n LYS 81 Cb 0.26 -1.11 0.26 0.00 -1.84 0.00 0.00 35.03 32.60 3k4o n LYS 81 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3k4o h GLY 82 N 0.47 0.96 0.98 0.72 0.00 -0.87 -2.12 103.07 103.21 3k4o h GLY 82 Ca -0.22 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3k4o h GLY 82 CO -0.06 0.38 -0.11 -2.75 0.00 0.00 0.00 176.54 174.01 3k4o h PHE 83 N 0.91 -0.28 -0.23 5.60 3.57 -1.62 -1.50 116.94 123.40 3k4o h PHE 83 Ca 0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3k4o h PHE 83 Cb -0.03 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3k4o h PHE 83 CO 0.00 -0.15 0.09 2.35 -2.23 0.00 0.00 178.31 178.37 3k4o h TRP 84 N -0.33 0.34 -0.81 0.41 -0.00 -1.78 -0.81 115.95 112.98 3k4o h TRP 84 Ca -0.03 -0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.90 3k4o h TRP 84 Cb 0.25 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.16 29.26 3k4o h TRP 84 CO -0.05 0.37 0.53 0.93 -0.00 0.00 0.00 178.44 180.22 3k4o h GLU 85 N 0.21 0.85 -0.10 2.65 5.08 -1.31 0.30 114.58 122.26 3k4o h GLU 85 Ca 0.08 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 3k4o h GLU 85 Cb 0.18 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3k4o h GLU 85 CO -0.01 0.56 -0.76 0.82 -1.00 0.00 0.00 179.01 178.62 3k4o h ILE 86 N 0.87 1.30 -0.34 3.13 2.04 -1.11 -2.42 117.51 120.99 3k4o h ILE 86 Ca 0.35 -2.00 0.04 0.00 1.00 0.00 0.00 64.86 64.25 3k4o h ILE 86 Cb 0.25 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 3k4o h ILE 86 CO -0.12 0.62 0.09 1.56 0.00 0.00 0.00 178.15 180.30 3k4o h GLN 87 N 0.38 0.22 -0.44 2.37 4.20 -0.33 -0.53 115.11 120.98 3k4o h GLN 87 Ca -0.07 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.66 3k4o h GLN 87 Cb 1.40 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.10 3k4o h GLN 87 CO 0.15 0.15 0.25 -0.09 -0.67 0.00 0.00 178.83 178.62 3k4o h ARG 88 N 0.23 0.48 -0.43 1.46 2.43 -0.40 0.24 114.38 118.38 3k4o h ARG 88 Ca 0.16 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3k4o h ARG 88 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3k4o h ARG 88 CO -0.18 0.32 0.27 0.00 -1.51 0.00 0.00 179.97 178.86 3k4o h ALA 89 N 1.21 0.55 -0.56 2.80 0.00 -1.02 -0.60 119.26 121.63 3k4o h ALA 89 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3k4o h ALA 89 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3k4o h ALA 89 CO -0.10 0.03 0.02 0.52 0.00 0.00 0.00 179.25 179.73 3k4o h MET 90 N 0.57 0.94 -0.59 0.00 2.86 -0.62 -2.37 114.93 115.73 3k4o h MET 90 Ca 0.16 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 3k4o h MET 90 Cb -0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3k4o h MET 90 CO -0.03 0.92 0.10 0.00 1.06 0.00 0.00 176.91 178.96 3k4o h ARG 91 N 0.87 0.95 -0.22 1.72 3.08 -0.18 -0.92 114.38 119.69 3k4o h ARG 91 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3k4o h ARG 91 Cb 0.48 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3k4o h ARG 91 CO 0.02 0.87 0.10 0.00 -1.07 0.00 0.00 179.97 179.90 3k4o h ARG 92 N 0.90 0.31 -0.33 0.04 3.08 -0.76 0.58 114.38 118.20 3k4o h ARG 92 Ca 0.19 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3k4o h ARG 92 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3k4o h ARG 92 CO 0.01 0.33 0.17 0.35 -1.07 0.00 0.00 179.97 179.75 3k4o h PHE 93 N 0.22 0.46 -0.83 3.04 3.57 -1.23 -2.23 116.94 119.94 3k4o h PHE 93 Ca 0.07 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3k4o h PHE 93 Cb 0.12 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3k4o h PHE 93 CO -0.02 0.39 0.54 -0.97 -2.23 0.00 0.00 178.31 176.02 3k4o h ASN 94 N 0.40 0.92 -0.24 0.41 -1.24 -0.96 -1.71 115.58 113.16 3k4o h ASN 94 Ca 0.11 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.11 3k4o h ASN 94 Cb 0.09 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 3k4o h ASN 94 CO -0.02 0.65 0.15 0.78 -1.29 0.00 0.00 177.43 177.71 3k4o h ASN 95 N 1.09 0.28 -0.70 1.15 -0.26 -0.54 -0.08 115.58 116.52 3k4o h ASN 95 Ca 0.32 -0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.07 3k4o h ASN 95 Cb -0.06 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.08 3k4o h ASN 95 CO -0.09 0.22 0.43 0.40 -1.06 0.00 0.00 177.43 177.33 3k4o h ILE 96 N 0.31 1.09 -0.14 2.81 2.04 -0.98 0.16 117.51 122.79 3k4o h ILE 96 Ca 0.09 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3k4o h ILE 96 Cb -0.02 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3k4o h ILE 96 CO -0.02 0.15 -0.05 0.40 0.00 0.00 0.00 178.15 178.63 3k4o h ILE 97 N 0.84 1.30 -0.50 -0.67 2.04 -1.03 -2.22 117.51 117.28 3k4o h ILE 97 Ca 0.28 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 3k4o h ILE 97 Cb 0.03 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3k4o h ILE 97 CO -0.11 0.31 -0.07 0.40 0.00 0.00 0.00 178.15 178.68 3k4o h ILE 98 N -0.03 1.26 -0.61 -0.67 2.04 -0.81 -1.09 117.51 117.59 3k4o h ILE 98 Ca 0.03 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 3k4o h ILE 98 Cb 0.50 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3k4o h ILE 98 CO 0.02 0.40 0.23 0.44 0.00 0.00 0.00 178.15 179.24 3k4o h ASP 99 N 0.80 0.83 -0.22 1.72 3.32 -0.67 0.15 116.42 122.35 3k4o h ASP 99 Ca 0.14 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3k4o h ASP 99 Cb 0.57 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3k4o h ASP 99 CO 0.03 0.75 -0.06 0.74 -1.72 0.00 0.00 179.24 178.99 3k4o h THR 100 N 0.89 1.29 -0.49 0.35 2.02 -0.98 -0.99 112.91 114.98 3k4o h THR 100 Ca 0.21 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3k4o h THR 100 Cb 0.19 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3k4o h THR 100 CO -0.02 0.32 0.33 -0.07 0.37 0.00 0.00 175.52 176.45 3k4o h LEU 101 N 0.16 0.57 -1.81 2.58 3.38 -0.86 -1.55 115.31 117.77 3k4o h LEU 101 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3k4o h LEU 101 Cb 0.52 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k4o h LEU 101 CO 0.02 0.41 -0.14 1.56 0.09 0.00 0.00 178.44 180.38 3k4o h GLN 102 N 0.67 0.00 0.00 1.13 1.08 -0.59 -1.02 115.11 116.38 3k4o h GLN 102 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3k4o h GLN 102 Cb -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3k4o h GLN 102 CO -0.04 0.14 0.00 -1.13 -0.95 0.00 0.00 178.83 176.85 3k4o n SER 103 N -4.05 0.50 -0.78 1.46 3.41 -0.39 -1.18 113.62 112.59 3k4o n SER 103 Ca -0.02 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3k4o n SER 103 Cb 0.23 -0.74 0.23 0.00 -0.26 0.00 0.00 64.21 63.67 3k4o n SER 103 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3k4o n TYR 104 N -2.07 0.79 -2.73 7.33 4.01 -0.46 -4.96 117.16 119.07 3k4o n TYR 104 Ca 0.02 -0.84 -0.22 0.00 -0.16 0.00 0.00 57.90 56.70 3k4o n TYR 104 Cb 0.18 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 3k4o n TYR 104 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k4o n ASP 105 N -0.47 -6.03 -4.60 7.72 8.00 -0.33 -4.89 116.55 115.95 3k4o n ASP 105 Ca 0.19 -0.16 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 3k4o n ASP 105 Cb 0.81 -4.93 -0.07 0.00 -0.02 0.00 0.00 41.12 36.90 3k4o n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k4o s ILE 106 N -3.12 5.01 -0.47 0.53 1.01 -0.75 -4.95 121.20 118.46 3k4o s ILE 106 Ca 0.16 0.81 -0.04 0.00 0.00 0.00 0.00 60.65 61.58 3k4o s ILE 106 Cb -0.07 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 3k4o s ILE 106 CO 0.20 -0.03 1.78 -0.81 0.00 0.00 0.00 174.94 176.08 3k4o n PRO 107 N 5.69 1.30 -2.54 2.79 -0.04 -1.26 -3.71 135.00 137.23 3k4o n PRO 107 Ca -0.03 -0.97 -0.37 0.00 -0.04 0.00 0.00 63.50 62.10 3k4o n PRO 107 Cb 0.49 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3k4o n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k4o s ALA 108 N 3.39 3.10 0.07 0.55 0.00 -1.26 -0.78 121.76 126.84 3k4o s ALA 108 Ca 0.28 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.96 3k4o s ALA 108 Cb 0.09 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3k4o s ALA 108 CO -0.02 -0.21 -0.06 0.14 0.00 0.00 0.00 175.76 175.61 3k4o s VAL 109 N -1.63 0.57 -0.10 0.00 -7.23 -0.77 -4.88 120.40 106.36 3k4o s VAL 109 Ca 0.57 -1.62 -0.19 0.00 -1.81 0.00 0.00 61.98 58.94 3k4o s VAL 109 Cb -0.23 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 3k4o s VAL 109 CO 0.28 -0.72 0.51 -0.55 -0.31 0.00 0.00 175.10 174.31 3k4o s SER 110 N -2.51 6.75 -0.28 4.85 0.15 -1.26 -0.45 113.70 120.95 3k4o s SER 110 Ca 0.03 0.90 0.03 0.00 0.70 0.00 0.00 55.95 57.61 3k4o s SER 110 Cb 0.00 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 62.08 3k4o s SER 110 CO -0.04 0.01 -0.06 -0.63 1.20 0.00 0.00 173.24 173.72 3k4o s ILE 111 N 0.49 2.11 -0.50 6.45 -1.09 -0.83 -4.91 121.20 122.92 3k4o s ILE 111 Ca 0.28 -1.76 -0.13 0.00 -2.23 0.00 0.00 60.65 56.81 3k4o s ILE 111 Cb -0.16 -2.32 0.12 0.00 -1.58 0.00 0.00 42.46 38.52 3k4o s ILE 111 CO 0.12 -0.18 0.41 -1.58 -1.23 0.00 0.00 174.94 172.49 3k4o s GLN 112 N 1.09 2.76 0.24 2.79 0.74 -1.26 -3.79 119.66 122.23 3k4o s GLN 112 Ca -0.04 -1.68 -0.05 0.00 0.05 0.00 0.00 55.36 53.64 3k4o s GLN 112 Cb -0.20 -4.10 0.42 0.00 1.10 0.00 0.00 33.01 30.23 3k4o s GLN 112 CO -0.06 -1.23 1.75 -1.35 -0.55 0.00 0.00 175.29 173.86 3k4o h PRO 113 N 8.67 0.51 -1.14 1.67 0.11 -1.93 -2.67 132.00 137.23 3k4o h PRO 113 Ca -0.26 -0.03 0.33 0.00 0.11 0.00 0.00 66.00 66.15 3k4o h PRO 113 Cb 1.09 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.04 3k4o h PRO 113 CO 0.94 0.34 0.85 0.66 -0.21 0.00 0.00 178.00 180.58 3k4o h SER 114 N 0.53 0.00 1.54 -2.05 4.64 -1.88 0.26 113.55 116.59 3k4o h SER 114 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3k4o h SER 114 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3k4o h SER 114 CO -0.35 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 175.89 3k4o h SER 115 N 0.00 0.00 0.00 4.97 0.02 -1.79 -3.42 113.55 113.33 3k4o h SER 115 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3k4o h SER 115 Cb 2.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.78 3k4o h SER 115 CO -0.01 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 177.90 3k4o n PHE 116 N -2.41 0.00 -3.24 3.45 1.16 -0.22 -5.12 117.46 111.08 3k4o n PHE 116 Ca 0.05 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.26 3k4o n PHE 116 Cb 0.44 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 3k4o n PHE 116 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3k4o s VAL 117 N 0.00 4.70 -0.07 1.97 1.01 0.76 -4.74 120.40 124.03 3k4o s VAL 117 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.15 3k4o s VAL 117 Cb 0.00 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3k4o s VAL 117 CO 0.00 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 3k4o s VAL 118 N -1.30 0.76 0.66 2.92 1.01 -0.48 -3.97 120.40 120.00 3k4o s VAL 118 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3k4o s VAL 118 Cb -0.18 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.49 3k4o s VAL 118 CO 0.20 0.29 0.94 0.12 0.00 0.00 0.00 175.10 176.65 3k4o s PHE 119 N 1.21 2.67 0.00 5.22 5.36 -0.22 -1.30 117.98 130.92 3k4o s PHE 119 Ca -0.06 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 3k4o s PHE 119 Cb -0.14 -3.05 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 3k4o s PHE 119 CO -0.02 -1.30 0.00 0.41 -1.46 0.00 0.00 175.22 172.85 3k4o n GLY 120 N -2.73 0.22 3.54 13.12 0.00 -1.26 -2.34 105.19 115.74 3k4o n GLY 120 Ca 0.09 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 3k4o n GLY 120 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k4o n ASP 121 N 0.00 1.48 -1.55 1.61 2.03 -1.26 -4.08 116.55 114.78 3k4o n ASP 121 Ca 0.00 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.59 3k4o n ASP 121 Cb 0.00 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.99 3k4o n ASP 121 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3k4o n LYS 122 N 8.52 -3.55 -1.71 -0.67 4.81 -1.26 -4.85 118.16 119.44 3k4o n LYS 122 Ca 0.47 2.70 -0.42 0.00 -0.87 0.00 0.00 58.31 60.20 3k4o n LYS 122 Cb 0.39 -2.79 -0.03 0.00 0.02 0.00 0.00 35.03 32.62 3k4o n LYS 122 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3k4o s LEU 123 N -0.34 4.38 -0.47 3.14 2.96 -1.26 -4.90 118.68 122.20 3k4o s LEU 123 Ca 0.00 2.83 -0.16 0.00 -0.22 0.00 0.00 54.13 56.58 3k4o s LEU 123 Cb 0.00 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.17 3k4o s LEU 123 CO 0.00 -0.99 0.41 -0.63 -1.32 0.00 0.00 176.35 173.82 3k4o s ILE 124 N 1.89 5.19 -0.34 6.68 1.01 -0.42 -4.98 121.20 130.23 3k4o s ILE 124 Ca 0.78 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3k4o s ILE 124 Cb -0.48 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.01 3k4o s ILE 124 CO 0.34 -0.57 0.32 0.12 0.00 0.00 0.00 174.94 175.15 3k4o s PHE 125 N 1.77 -0.17 -0.06 3.97 5.99 -1.26 -1.38 117.98 126.83 3k4o s PHE 125 Ca 0.06 -0.75 -0.30 0.00 0.00 0.00 0.00 56.93 55.94 3k4o s PHE 125 Cb -0.23 -0.52 -0.05 0.00 0.00 0.00 0.00 43.02 42.22 3k4o s PHE 125 CO 0.08 -0.93 1.60 0.34 -0.00 0.00 0.00 175.22 176.31 3k4o s ASP 126 N 1.68 6.70 -0.01 6.13 -1.08 -1.26 -4.89 116.67 123.94 3k4o s ASP 126 Ca 0.14 2.19 0.17 0.00 -0.52 0.00 0.00 52.55 54.54 3k4o s ASP 126 Cb -0.16 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.28 3k4o s ASP 126 CO -0.13 -0.90 1.43 0.35 0.52 0.00 0.00 175.17 176.44 3k4o n THR 127 N 5.40 1.11 -0.14 1.71 -2.24 -1.26 -4.60 114.28 114.25 3k4o n THR 127 Ca 0.17 -1.04 -0.04 0.00 -2.27 0.00 0.00 64.05 60.86 3k4o n THR 127 Cb 0.43 0.45 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 3k4o n THR 127 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k4o h SER 128 N 3.31 0.15 -0.32 3.42 0.02 -2.00 -0.54 113.55 117.58 3k4o h SER 128 Ca 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3k4o h SER 128 Cb 0.94 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 3k4o h SER 128 CO 0.03 0.12 0.19 0.00 -1.14 0.00 0.00 176.83 176.03 3k4o h ALA 129 N 1.30 0.41 -0.94 3.77 0.00 -2.00 -2.12 119.26 119.67 3k4o h ALA 129 Ca 0.21 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3k4o h ALA 129 Cb 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3k4o h ALA 129 CO -0.22 -0.09 0.61 0.82 0.00 0.00 0.00 179.25 180.37 3k4o h ILE 130 N 0.41 1.18 0.06 0.00 2.04 -1.75 -0.44 117.51 119.02 3k4o h ILE 130 Ca 0.12 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3k4o h ILE 130 Cb 0.01 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 3k4o h ILE 130 CO -0.02 0.22 -0.05 0.11 0.00 0.00 0.00 178.15 178.40 3k4o h LYS 131 N 1.21 -0.12 -0.85 2.37 1.57 -0.76 -1.10 116.57 118.89 3k4o h LYS 131 Ca 0.37 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 3k4o h LYS 131 Cb -0.04 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 3k4o h LYS 131 CO -0.11 -0.08 0.55 0.93 -0.57 0.00 0.00 179.45 180.17 3k4o h GLU 132 N -0.13 1.06 -0.84 3.15 4.39 -0.92 -2.36 114.58 118.94 3k4o h GLU 132 Ca 0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3k4o h GLU 132 Cb 0.12 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 3k4o h GLU 132 CO -0.01 0.70 0.43 0.52 -1.16 0.00 0.00 179.01 179.49 3k4o h MET 133 N 1.09 1.19 0.00 2.33 2.86 -0.75 -1.90 114.93 119.76 3k4o h MET 133 Ca 0.33 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3k4o h MET 133 Cb -0.04 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 3k4o h MET 133 CO -0.10 0.90 -0.24 -0.07 1.06 0.00 0.00 176.91 178.46 3k4o h LEU 134 N 1.19 0.00 -1.30 1.22 3.38 -0.73 -0.84 115.31 118.22 3k4o h LEU 134 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3k4o h LEU 134 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3k4o h LEU 134 CO -0.04 0.24 -0.01 0.11 0.09 0.00 0.00 178.44 178.83 3k4o h LYS 135 N 0.00 0.00 -0.17 1.13 1.57 -0.85 -1.78 116.57 116.47 3k4o h LYS 135 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k4o h LYS 135 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3k4o h LYS 135 CO 0.03 0.01 0.00 0.54 -0.57 0.00 0.00 179.45 179.46 3k4o n ARG 136 N -3.10 2.07 -2.12 3.15 5.12 -0.49 -4.92 116.66 116.36 3k4o n ARG 136 Ca 0.01 -1.59 -0.13 0.00 -1.93 0.00 0.00 57.85 54.21 3k4o n ARG 136 Cb 0.33 -1.46 -0.01 0.00 -1.16 0.00 0.00 32.46 30.16 3k4o n ARG 136 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3k4o n ASN 137 N 0.85 -4.23 -4.89 0.55 5.03 -0.67 -5.01 115.26 106.89 3k4o n ASN 137 Ca 0.17 0.04 -0.29 0.00 0.87 0.00 0.00 54.58 55.38 3k4o n ASN 137 Cb 0.47 -3.34 -0.01 0.00 -1.02 0.00 0.00 39.78 35.89 3k4o n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k4o s LEU 138 N -3.73 3.63 -0.49 3.41 1.43 -0.44 -4.86 118.68 117.63 3k4o s LEU 138 Ca 0.00 1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 3k4o s LEU 138 Cb 0.00 -3.99 0.13 0.00 0.03 0.00 0.00 46.19 42.36 3k4o s LEU 138 CO 0.00 -0.57 0.31 -0.69 0.23 0.00 0.00 176.35 175.64 3k4o s VAL 139 N -2.70 3.70 0.18 -1.59 1.01 0.04 -4.39 120.40 116.65 3k4o s VAL 139 Ca 0.49 -2.21 -0.31 0.00 0.00 0.00 0.00 61.98 59.95 3k4o s VAL 139 Cb -0.10 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 3k4o s VAL 139 CO 0.42 -0.77 1.48 -2.84 0.00 0.00 0.00 175.10 173.40 3k4o s PRO 140 N 0.89 4.26 -0.33 2.72 0.02 -1.25 -1.85 135.00 139.45 3k4o s PRO 140 Ca 0.10 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.37 3k4o s PRO 140 Cb -0.23 -3.16 0.06 0.00 0.02 0.00 0.00 34.50 31.19 3k4o s PRO 140 CO -0.03 -0.50 0.05 0.08 -0.33 0.00 0.00 177.00 176.27 3k4o s VAL 141 N 0.75 3.13 -0.00 3.83 1.01 0.40 -0.85 120.40 128.67 3k4o s VAL 141 Ca 0.65 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3k4o s VAL 141 Cb -0.41 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3k4o s VAL 141 CO 0.35 -0.24 0.16 -0.63 0.00 0.00 0.00 175.10 174.74 3k4o s ILE 142 N 1.24 5.24 0.11 2.22 1.01 0.35 -1.97 121.20 129.41 3k4o s ILE 142 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3k4o s ILE 142 Cb -0.20 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3k4o s ILE 142 CO -0.01 0.32 -0.04 -1.38 0.00 0.00 0.00 174.94 173.82 3k4o s HIS 143 N -1.31 0.93 0.60 3.97 -3.43 -1.25 -1.47 115.29 113.34 3k4o s HIS 143 Ca 0.27 -0.96 -0.19 0.00 -0.80 0.00 0.00 55.06 53.38 3k4o s HIS 143 Cb -0.12 -0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 30.46 3k4o s HIS 143 CO 0.18 -0.19 1.29 0.20 -2.00 0.00 0.00 174.74 174.22 3k4o s GLY 144 N -3.06 2.84 0.17 -1.38 0.00 -0.20 -4.66 107.32 101.03 3k4o s GLY 144 Ca 0.14 1.20 -0.24 0.00 0.00 0.00 0.00 44.72 45.82 3k4o s GLY 144 CO -0.03 1.64 0.86 -0.35 0.00 0.00 0.00 173.10 175.22 3k4o s ASP 145 N -1.32 -0.25 0.17 1.64 -1.08 -0.70 -4.63 116.67 110.50 3k4o s ASP 145 Ca 0.78 -0.38 -0.23 0.00 -0.52 0.00 0.00 52.55 52.20 3k4o s ASP 145 Cb -0.37 0.55 -0.08 0.00 -1.46 0.00 0.00 42.92 41.57 3k4o s ASP 145 CO 0.40 -1.00 0.74 -0.51 0.52 0.00 0.00 175.17 175.32 3k4o s ILE 146 N -3.48 4.46 0.06 4.11 1.10 -1.26 -0.95 121.20 125.24 3k4o s ILE 146 Ca 0.10 1.54 -0.04 0.00 -0.51 0.00 0.00 60.65 61.74 3k4o s ILE 146 Cb -0.03 -4.04 -0.02 0.00 0.15 0.00 0.00 42.46 38.53 3k4o s ILE 146 CO 0.01 0.44 0.07 0.68 -2.11 0.00 0.00 174.94 174.03 3k4o s VAL 147 N -1.25 0.17 0.44 4.00 -7.23 0.23 -3.75 120.40 113.02 3k4o s VAL 147 Ca 0.37 -1.42 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 3k4o s VAL 147 Cb -0.21 -1.28 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 3k4o s VAL 147 CO 0.24 -0.79 1.11 -0.63 -0.31 0.00 0.00 175.10 174.72 3k4o s ILE 148 N -3.53 3.40 -0.25 -0.62 -1.09 -1.25 -1.37 121.20 116.48 3k4o s ILE 148 Ca 0.03 1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 59.48 3k4o s ILE 148 Cb 0.04 -3.51 0.07 0.00 -1.58 0.00 0.00 42.46 37.48 3k4o s ILE 148 CO -0.09 -0.03 -0.00 -0.62 -1.23 0.00 0.00 174.94 172.97 3k4o s ASP 149 N -1.51 3.75 0.29 3.58 -1.08 0.16 -1.06 116.67 120.79 3k4o s ASP 149 Ca 0.62 -1.25 0.16 0.00 -0.52 0.00 0.00 52.55 51.56 3k4o s ASP 149 Cb -0.25 -1.04 0.87 0.00 -1.46 0.00 0.00 42.92 41.04 3k4o s ASP 149 CO 0.30 -0.29 1.44 -0.90 0.52 0.00 0.00 175.17 176.24 3k4o n ASP 150 N 4.75 0.41 -0.06 -0.34 5.75 -0.99 0.12 116.55 126.20 3k4o n ASP 150 Ca -0.09 0.64 -0.10 0.00 -0.01 0.00 0.00 54.79 55.24 3k4o n ASP 150 Cb 0.44 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 3k4o n ASP 150 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3k4o n LYS 151 N -2.08 0.39 -0.24 0.11 4.81 -1.26 -4.69 118.16 115.20 3k4o n LYS 151 Ca -0.01 0.16 0.07 0.00 -0.87 0.00 0.00 58.31 57.66 3k4o n LYS 151 Cb 0.15 -1.18 0.21 0.00 0.02 0.00 0.00 35.03 34.22 3k4o n LYS 151 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4o n ASN 152 N -4.13 2.53 0.00 3.14 3.02 -1.16 -4.97 115.26 113.69 3k4o n ASN 152 Ca -0.17 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 3k4o n ASN 152 Cb 0.48 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3k4o n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4o n GLY 153 N 1.22 1.71 3.10 7.41 0.00 0.33 -4.85 105.19 114.10 3k4o n GLY 153 Ca 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 3k4o n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4o s TYR 154 N 0.00 0.55 -0.24 1.61 2.02 -1.26 -0.66 117.35 119.36 3k4o s TYR 154 Ca 0.00 -1.05 -0.26 0.00 -0.37 0.00 0.00 57.07 55.39 3k4o s TYR 154 Cb 0.00 -0.40 0.10 0.00 -0.40 0.00 0.00 41.96 41.26 3k4o s TYR 154 CO 0.00 -0.36 0.87 0.50 -1.57 0.00 0.00 175.55 174.99 3k4o s ARG 155 N -3.89 0.70 -0.57 -0.62 6.06 -0.47 -4.65 118.95 115.51 3k4o s ARG 155 Ca 0.07 0.68 -0.19 0.00 -2.50 0.00 0.00 55.73 53.79 3k4o s ARG 155 Cb 0.08 0.34 0.09 0.00 0.06 0.00 0.00 34.95 35.51 3k4o s ARG 155 CO -0.09 -0.12 0.71 0.42 -2.50 0.00 0.00 175.30 173.72 3k4o s ILE 156 N 0.01 4.78 0.15 4.11 1.01 -1.26 -0.60 121.20 129.41 3k4o s ILE 156 Ca -0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3k4o s ILE 156 Cb -0.04 -4.46 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 3k4o s ILE 156 CO -0.01 -1.07 1.22 -0.51 0.00 0.00 0.00 174.94 174.57 3k4o s ILE 157 N 2.81 3.62 0.43 2.92 2.07 -0.12 -4.89 121.20 128.03 3k4o s ILE 157 Ca 0.14 1.30 0.07 0.00 -1.41 0.00 0.00 60.65 60.75 3k4o s ILE 157 Cb -0.22 -3.83 -0.03 0.00 0.13 0.00 0.00 42.46 38.51 3k4o s ILE 157 CO 0.08 0.18 0.28 -0.94 -1.91 0.00 0.00 174.94 172.63 3k4o s SER 158 N 0.41 4.71 0.53 4.50 1.04 -1.26 -1.72 113.70 121.91 3k4o s SER 158 Ca 0.55 -0.96 0.19 0.00 0.48 0.00 0.00 55.95 56.22 3k4o s SER 158 Cb -0.33 -0.43 1.35 0.00 0.10 0.00 0.00 66.02 66.71 3k4o s SER 158 CO 0.35 -0.64 2.12 1.23 0.98 0.00 0.00 173.24 177.27 3k4o h GLY 159 N 1.19 0.00 2.00 7.32 0.00 -1.92 0.31 103.07 111.98 3k4o h GLY 159 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3k4o h GLY 159 CO 0.63 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.62 3k4o h ASP 160 N 0.00 0.00 0.05 0.19 3.32 -1.98 -1.57 116.42 116.43 3k4o h ASP 160 Ca 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 3k4o h ASP 160 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3k4o h ASP 160 CO -0.00 0.00 -0.84 0.44 -1.72 0.00 0.00 179.24 177.12 3k4o h ASP 161 N 0.00 0.17 0.53 6.45 3.32 -1.35 -3.39 116.42 122.15 3k4o h ASP 161 Ca 0.00 -0.82 -0.03 0.00 0.02 0.00 0.00 57.03 56.20 3k4o h ASP 161 Cb 0.56 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.06 3k4o h ASP 161 CO 0.00 1.36 -0.26 0.40 -1.72 0.00 0.00 179.24 179.02 3k4o h ILE 162 N -0.72 0.43 -0.30 0.35 2.04 -1.30 -3.13 117.51 114.89 3k4o h ILE 162 Ca -0.20 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3k4o h ILE 162 Cb 1.38 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 3k4o h ILE 162 CO -0.02 0.03 -0.47 0.58 0.00 0.00 0.00 178.15 178.28 3k4o h VAL 163 N -0.86 0.08 -0.52 1.67 2.07 -1.51 -0.29 116.25 116.89 3k4o h VAL 163 Ca -0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3k4o h VAL 163 Cb 0.61 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3k4o h VAL 163 CO 0.12 0.00 0.31 1.55 0.02 0.00 0.00 177.57 179.57 3k4o h PRO 164 N -0.42 0.71 -0.38 1.57 0.13 -1.75 0.46 132.00 132.32 3k4o h PRO 164 Ca 0.10 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.23 3k4o h PRO 164 Cb 0.61 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 3k4o h PRO 164 CO -0.52 0.53 -0.02 -0.92 -0.23 0.00 0.00 178.00 176.83 3k4o h TYR 165 N 0.70 -0.06 -0.22 1.56 3.20 -1.38 0.04 116.97 120.81 3k4o h TYR 165 Ca 0.19 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 3k4o h TYR 165 Cb 0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3k4o h TYR 165 CO -0.02 -0.10 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.85 3k4o h LEU 166 N 0.08 0.62 -0.49 2.82 3.38 -0.76 0.14 115.31 121.08 3k4o h LEU 166 Ca 0.19 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3k4o h LEU 166 Cb 0.27 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3k4o h LEU 166 CO -0.33 1.00 0.21 0.00 0.09 0.00 0.00 178.44 179.40 3k4o h ALA 167 N 1.03 0.62 0.08 1.53 0.00 0.87 0.41 119.26 123.79 3k4o h ALA 167 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3k4o h ALA 167 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3k4o h ALA 167 CO 0.09 -0.17 -0.04 -0.97 0.00 0.00 0.00 179.25 178.16 3k4o h ASN 168 N 0.41 -0.09 -0.54 0.00 -1.24 -0.92 0.59 115.58 113.79 3k4o h ASN 168 Ca 0.23 -0.52 0.13 0.00 0.71 0.00 0.00 56.30 56.85 3k4o h ASN 168 Cb 0.20 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.25 3k4o h ASN 168 CO -0.21 0.58 0.38 -0.08 -1.29 0.00 0.00 177.43 176.81 3k4o h GLU 169 N -0.85 0.13 -0.36 6.67 4.57 -0.57 -1.84 114.58 122.34 3k4o h GLU 169 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3k4o h GLU 169 Cb 0.61 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3k4o h GLU 169 CO 0.02 0.09 0.00 1.28 -1.18 0.00 0.00 179.01 179.21 3k4o n LEU 170 N -4.42 2.95 -3.82 1.64 4.77 0.14 -4.99 117.00 113.27 3k4o n LEU 170 Ca 0.10 -1.97 -0.28 0.00 -0.03 0.00 0.00 56.01 53.83 3k4o n LEU 170 Cb 0.52 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3k4o n LEU 170 CO 0.36 0.73 -0.15 0.29 -1.33 0.00 0.00 177.39 177.29 3k4o n LYS 171 N 0.58 -2.58 -2.12 3.23 5.02 -0.69 -4.89 118.16 116.72 3k4o n LYS 171 Ca 0.12 0.44 -0.40 0.00 -2.02 0.00 0.00 58.31 56.45 3k4o n LYS 171 Cb 0.43 -4.38 -0.01 0.00 -0.02 0.00 0.00 35.03 31.05 3k4o n LYS 171 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k4o s ALA 172 N -3.73 3.31 0.01 7.82 0.00 0.13 -4.84 121.76 124.45 3k4o s ALA 172 Ca 0.20 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 3k4o s ALA 172 Cb -0.07 -3.46 -0.31 0.00 0.00 0.00 0.00 23.12 19.27 3k4o s ALA 172 CO 0.87 -0.71 0.88 -0.44 0.00 0.00 0.00 175.76 176.37 3k4o h ASP 173 N 2.90 0.62 -3.59 0.00 3.32 -1.02 -3.47 116.42 115.18 3k4o h ASP 173 Ca -0.49 -0.78 -0.37 0.00 0.02 0.00 0.00 57.03 55.41 3k4o h ASP 173 Cb 1.24 -0.20 -0.32 0.00 0.22 0.00 0.00 39.33 40.26 3k4o h ASP 173 CO 0.63 1.63 -0.76 -0.22 -1.72 0.00 0.00 179.24 178.80 3k4o s LEU 174 N -7.30 1.47 -0.17 1.55 2.96 -1.09 -4.82 118.68 111.27 3k4o s LEU 174 Ca -0.11 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3k4o s LEU 174 Cb 0.05 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.37 3k4o s LEU 174 CO 0.89 -0.03 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.23 3k4o s ILE 175 N 0.66 3.93 -0.09 6.68 -1.09 -0.91 -0.87 121.20 129.51 3k4o s ILE 175 Ca -0.08 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3k4o s ILE 175 Cb -0.11 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3k4o s ILE 175 CO -0.00 0.47 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.24 3k4o s LEU 176 N 0.54 1.86 -0.40 2.97 1.43 0.24 -1.66 118.68 123.66 3k4o s LEU 176 Ca -0.02 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3k4o s LEU 176 Cb -0.14 -1.13 0.11 0.00 0.03 0.00 0.00 46.19 45.06 3k4o s LEU 176 CO 0.02 0.09 0.16 -0.31 0.23 0.00 0.00 176.35 176.55 3k4o s TYR 177 N 0.56 3.62 -0.24 0.29 2.02 -0.13 0.03 117.35 123.50 3k4o s TYR 177 Ca -0.16 -2.71 -0.25 0.00 -0.37 0.00 0.00 57.07 53.59 3k4o s TYR 177 Cb -0.17 -3.09 -0.01 0.00 -0.40 0.00 0.00 41.96 38.30 3k4o s TYR 177 CO 0.05 -0.94 0.83 0.00 -1.57 0.00 0.00 175.55 173.92 3k4o s ALA 178 N 0.88 3.65 0.08 3.71 0.00 0.40 -2.09 121.76 128.39 3k4o s ALA 178 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3k4o s ALA 178 Cb -0.21 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3k4o s ALA 178 CO -0.05 -0.92 0.04 -2.37 0.00 0.00 0.00 175.76 172.46 3k4o n THR 179 N 5.24 0.00 0.45 0.00 5.66 -0.23 0.02 114.28 125.42 3k4o n THR 179 Ca 0.06 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.66 3k4o n THR 179 Cb 0.48 0.21 0.26 0.00 -1.55 0.00 0.00 70.33 69.73 3k4o n THR 179 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3k4o n ASP 180 N -2.33 2.82 -4.46 1.09 3.85 -1.26 0.16 116.55 116.42 3k4o n ASP 180 Ca 0.00 -1.95 -0.24 0.00 -0.71 0.00 0.00 54.79 51.90 3k4o n ASP 180 Cb 0.13 -0.29 -0.10 0.00 -1.35 0.00 0.00 41.12 39.50 3k4o n ASP 180 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3k4o s VAL 181 N -1.41 2.41 -2.00 2.12 -7.23 -1.26 -4.93 120.40 108.09 3k4o s VAL 181 Ca 0.36 -2.37 0.15 0.00 -1.81 0.00 0.00 61.98 58.32 3k4o s VAL 181 Cb 0.20 -2.27 0.43 0.00 0.56 0.00 0.00 36.38 35.30 3k4o s VAL 181 CO 0.27 -0.40 1.33 0.47 -0.31 0.00 0.00 175.10 176.46 3k4o n ASP 182 N -0.54 0.00 0.00 4.85 8.00 -1.26 -1.78 116.55 125.82 3k4o n ASP 182 Ca -0.06 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3k4o n ASP 182 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3k4o n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k4o n GLY 183 N -0.01 0.18 3.65 0.44 0.00 -1.25 -3.85 105.19 104.36 3k4o n GLY 183 Ca 0.11 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 3k4o n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k4o s VAL 184 N -2.82 4.32 -0.23 1.61 1.01 -1.26 -4.89 120.40 118.14 3k4o s VAL 184 Ca 0.00 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.39 3k4o s VAL 184 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3k4o s VAL 184 CO 0.00 -0.22 0.42 -0.76 0.00 0.00 0.00 175.10 174.55 3k4o s LEU 185 N 3.63 4.11 -0.22 3.92 1.43 -1.26 -2.04 118.68 128.25 3k4o s LEU 185 Ca 0.53 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3k4o s LEU 185 Cb -0.19 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.52 3k4o s LEU 185 CO 0.15 -0.15 -0.13 -0.63 0.23 0.00 0.00 176.35 175.81 3k4o s ILE 186 N 1.72 2.37 -1.33 -0.59 -1.09 -0.30 -4.57 121.20 117.40 3k4o s ILE 186 Ca 0.19 -1.10 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 3k4o s ILE 186 Cb -0.15 -2.15 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 3k4o s ILE 186 CO 0.09 0.31 1.13 0.47 -1.23 0.00 0.00 174.94 175.71 3k4o n ASP 187 N 4.60 -5.32 -1.45 3.58 8.00 -1.26 -2.03 116.55 122.66 3k4o n ASP 187 Ca -0.18 -0.57 -0.18 0.00 0.71 0.00 0.00 54.79 54.57 3k4o n ASP 187 Cb 0.47 -4.99 -0.07 0.00 -0.02 0.00 0.00 41.12 36.51 3k4o n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k4o n ASN 188 N -3.04 -5.17 -4.02 -2.24 4.05 -1.26 -4.99 115.26 98.60 3k4o n ASN 188 Ca -0.06 0.39 -0.22 0.00 0.45 0.00 0.00 54.58 55.14 3k4o n ASN 188 Cb 0.58 -4.24 -0.16 0.00 1.23 0.00 0.00 39.78 37.19 3k4o n ASN 188 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3k4o s LYS 189 N -3.68 1.22 -0.01 1.20 2.20 -0.86 -5.04 119.74 114.76 3k4o s LYS 189 Ca 0.00 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 3k4o s LYS 189 Cb 0.00 -1.09 -0.05 0.00 -1.51 0.00 0.00 37.83 35.18 3k4o s LYS 189 CO 0.00 0.10 1.37 -1.25 -0.36 0.00 0.00 175.35 175.21 3k4o s PRO 190 N 0.32 4.29 0.12 4.03 0.04 -1.26 -1.15 135.00 141.39 3k4o s PRO 190 Ca -0.06 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 62.61 3k4o s PRO 190 Cb -0.11 -3.58 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 3k4o s PRO 190 CO 0.01 -0.56 0.89 0.96 0.04 0.00 0.00 177.00 178.34 3k4o s ILE 191 N 2.42 4.47 0.17 0.56 -4.36 -0.86 -4.97 121.20 118.63 3k4o s ILE 191 Ca 0.62 1.92 -0.13 0.00 -0.26 0.00 0.00 60.65 62.81 3k4o s ILE 191 Cb -0.30 -4.25 0.07 0.00 1.25 0.00 0.00 42.46 39.23 3k4o s ILE 191 CO 0.25 0.38 1.77 0.50 0.24 0.00 0.00 174.94 178.09 3k4o h LYS 192 N 5.21 0.81 -3.26 0.37 3.64 -1.92 -3.36 116.57 118.06 3k4o h LYS 192 Ca -0.44 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 58.75 3k4o h LYS 192 Cb 1.21 -0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 32.71 3k4o h LYS 192 CO 0.70 0.64 -0.19 0.50 -2.27 0.00 0.00 179.45 178.84 3k4o s ARG 193 N -5.78 0.88 -0.21 1.90 3.52 -1.26 -1.58 118.95 116.42 3k4o s ARG 193 Ca -0.13 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3k4o s ARG 193 Cb 0.13 0.38 0.06 0.00 -1.56 0.00 0.00 34.95 33.96 3k4o s ARG 193 CO 0.77 -0.30 0.01 0.42 -0.81 0.00 0.00 175.30 175.40 3k4o s ILE 194 N -2.78 0.83 0.00 4.11 1.01 -0.26 -4.93 121.20 119.18 3k4o s ILE 194 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3k4o s ILE 194 Cb -0.00 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3k4o s ILE 194 CO -0.05 -0.21 0.00 0.47 0.00 0.00 0.00 174.94 175.15 3k4o n ASP 195 N 4.93 1.49 0.00 3.58 8.00 -1.26 -3.94 116.55 129.35 3k4o n ASP 195 Ca -0.09 -0.49 0.10 0.00 0.71 0.00 0.00 54.79 55.02 3k4o n ASP 195 Cb 0.46 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.06 3k4o n ASP 195 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3k4o n LYS 196 N -0.12 0.24 0.00 -1.24 2.85 -1.26 -2.36 118.16 116.26 3k4o n LYS 196 Ca 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3k4o n LYS 196 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 3k4o n LYS 196 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k4o n ASN 197 N -1.32 0.00 0.00 -5.58 4.13 -1.26 -4.45 115.26 106.78 3k4o n ASN 197 Ca 0.09 0.22 0.10 0.00 1.68 0.00 0.00 54.58 56.67 3k4o n ASN 197 Cb 0.18 -0.32 0.50 0.00 -1.54 0.00 0.00 39.78 38.60 3k4o n ASN 197 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3k4o n ASN 198 N -1.65 0.00 -0.24 6.41 2.04 -1.26 -3.69 115.26 116.88 3k4o n ASN 198 Ca 0.00 0.13 0.01 0.00 -0.44 0.00 0.00 54.58 54.28 3k4o n ASN 198 Cb 0.00 -0.34 0.14 0.00 -2.53 0.00 0.00 39.78 37.04 3k4o n ASN 198 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 3k4o h ILE 199 N 0.00 0.83 -0.17 1.53 2.10 -1.68 -1.32 117.51 118.80 3k4o h ILE 199 Ca 0.00 -0.19 0.05 0.00 1.08 0.00 0.00 64.86 65.79 3k4o h ILE 199 Cb 0.24 0.21 -0.05 0.00 -1.09 0.00 0.00 36.82 36.12 3k4o h ILE 199 CO 0.00 0.10 -0.17 0.22 -1.08 0.00 0.00 178.15 177.23 3k4o h TYR 200 N 0.57 -0.43 0.00 2.19 3.20 -1.83 -0.83 116.97 119.84 3k4o h TYR 200 Ca 0.35 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 3k4o h TYR 200 Cb 0.39 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3k4o h TYR 200 CO -0.12 -0.24 -0.49 0.87 -1.64 0.00 0.00 178.16 176.54 3k4o h LYS 201 N -0.19 0.00 -0.20 1.82 1.57 -1.74 -3.12 116.57 114.70 3k4o h LYS 201 Ca 0.11 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3k4o h LYS 201 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3k4o h LYS 201 CO -0.28 0.49 -0.52 0.82 -0.57 0.00 0.00 179.45 179.39 3k4o h ILE 202 N 0.00 1.32 -0.11 1.86 2.04 -0.72 -2.86 117.51 119.03 3k4o h ILE 202 Ca -0.00 -1.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.01 3k4o h ILE 202 Cb 0.97 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 3k4o h ILE 202 CO 0.06 0.55 -0.31 -0.07 0.00 0.00 0.00 178.15 178.38 3k4o h LEU 203 N 0.44 0.22 -0.05 1.44 -0.00 -1.11 -2.32 115.31 113.93 3k4o h LEU 203 Ca 0.01 -0.07 -0.26 0.00 -0.00 0.00 0.00 57.88 57.56 3k4o h LEU 203 Cb 1.06 -0.06 0.02 0.00 -0.00 0.00 0.00 40.66 41.68 3k4o h LEU 203 CO 0.10 0.53 -1.01 -1.13 -0.00 0.00 0.00 178.44 176.93 3k4o h ASN 204 N 0.19 0.83 -0.91 -0.43 -0.73 -1.53 -3.18 115.58 109.82 3k4o h ASN 204 Ca 0.03 -0.66 0.01 0.00 1.87 0.00 0.00 56.30 57.54 3k4o h ASN 204 Cb 0.66 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.95 3k4o h ASN 204 CO 0.05 1.46 0.60 0.22 -0.37 0.00 0.00 177.43 179.39 3k4o h TYR 205 N 0.37 1.14 -3.55 0.67 5.03 -1.37 -3.52 116.97 115.74 3k4o h TYR 205 Ca -0.12 0.03 -0.33 0.00 2.58 0.00 0.00 58.73 60.89 3k4o h TYR 205 Cb 1.66 -0.39 0.13 0.00 1.55 0.00 0.00 36.73 39.68 3k4o h TYR 205 CO 0.09 0.72 0.29 1.28 -1.32 0.00 0.00 178.16 179.23 3k4o n LEU 206 N -4.45 0.00 0.29 2.82 4.77 -0.89 -5.12 117.00 114.42 3k4o n LEU 206 Ca 0.10 -1.15 0.18 0.00 -0.03 0.00 0.00 56.01 55.11 3k4o n LEU 206 Cb 0.01 -0.74 0.99 0.00 -2.33 0.00 0.00 43.42 41.35 3k4o n LEU 206 CO 0.37 -1.18 1.15 1.23 -1.33 0.00 0.00 177.39 177.63 3k4o h GLY 217 N -1.23 0.00 0.79 -0.72 0.00 -2.04 -3.48 103.07 96.38 3k4o h GLY 217 Ca -0.32 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.13 3k4o h GLY 217 CO 0.23 0.00 0.49 -0.33 0.00 0.00 0.00 176.54 176.93 3k4o h MET 218 N 0.00 0.00 0.41 4.80 2.07 -2.02 -1.47 114.93 118.72 3k4o h MET 218 Ca 0.02 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 3k4o h MET 218 Cb 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 3k4o h MET 218 CO -0.00 0.00 -0.20 -0.22 1.07 0.00 0.00 176.91 177.56 3k4o h LYS 219 N 0.00 -0.53 -0.62 1.72 3.64 -1.97 0.75 116.57 119.56 3k4o h LYS 219 Ca 0.20 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.79 3k4o h LYS 219 Cb 1.18 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3k4o h LYS 219 CO -0.00 -0.36 0.52 -0.92 -2.27 0.00 0.00 179.45 176.42 3k4o h TYR 220 N -0.93 0.00 0.00 1.91 3.20 -1.83 0.89 116.97 120.21 3k4o h TYR 220 Ca -0.06 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 3k4o h TYR 220 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3k4o h TYR 220 CO 0.03 0.00 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.33 3k4o h LYS 221 N 0.00 -0.00 0.00 1.82 3.64 -1.17 -3.15 116.57 117.70 3k4o h LYS 221 Ca 0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3k4o h LYS 221 Cb 1.33 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3k4o h LYS 221 CO -0.00 0.92 -0.15 0.82 -2.27 0.00 0.00 179.45 178.76 3k4o h ILE 222 N -0.93 0.48 0.74 2.00 2.04 0.21 -2.81 117.51 119.24 3k4o h ILE 222 Ca -0.00 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3k4o h ILE 222 Cb 0.92 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3k4o h ILE 222 CO 0.00 0.15 -0.35 -0.33 0.00 0.00 0.00 178.15 177.62 3k4o h GLU 223 N 0.00 -0.95 0.00 2.37 4.39 0.66 -2.94 114.58 118.11 3k4o h GLU 223 Ca -0.00 0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 3k4o h GLU 223 Cb 0.53 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3k4o h GLU 223 CO 0.02 -0.64 -0.38 0.52 -1.16 0.00 0.00 179.01 177.37 3k4o h MET 224 N -1.20 0.00 0.00 2.33 2.86 -1.56 -0.66 114.93 116.69 3k4o h MET 224 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3k4o h MET 224 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3k4o h MET 224 CO 0.17 0.38 0.00 0.97 1.06 0.00 0.00 176.91 179.49 3k4o h ILE 225 N 0.00 0.00 0.12 -1.22 2.10 -1.57 -2.02 117.51 114.93 3k4o h ILE 225 Ca -0.00 -0.26 -0.34 0.00 1.08 0.00 0.00 64.86 65.34 3k4o h ILE 225 Cb 0.71 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.46 3k4o h ILE 225 CO 0.05 0.00 -1.81 -0.09 -1.08 0.00 0.00 178.15 175.22 3k4o h ARG 226 N 0.00 0.26 0.00 2.19 9.65 -0.98 -0.78 114.38 124.72 3k4o h ARG 226 Ca 0.00 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3k4o h ARG 226 Cb 0.35 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3k4o h ARG 226 CO 0.00 1.21 0.00 1.17 2.80 0.00 0.00 179.97 185.15 3k4o n LYS 227 N -3.65 0.48 -0.02 0.20 4.81 -0.44 -2.23 118.16 117.31 3k4o n LYS 227 Ca -0.30 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 3k4o n LYS 227 Cb 1.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.55 3k4o n LYS 227 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4o n ASN 228 N -1.07 1.00 -4.01 3.14 5.03 -0.92 -5.00 115.26 113.43 3k4o n ASN 228 Ca 0.12 -1.57 -0.33 0.00 0.87 0.00 0.00 54.58 53.68 3k4o n ASN 228 Cb 0.08 -0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 3k4o n ASN 228 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3k4o n LYS 229 N -0.28 -2.49 -1.60 3.52 -0.00 -0.95 -4.91 118.16 111.47 3k4o n LYS 229 Ca 0.01 0.29 -0.30 0.00 -0.00 0.00 0.00 58.31 58.31 3k4o n LYS 229 Cb 0.40 -4.96 0.19 0.00 -0.00 0.00 0.00 35.03 30.65 3k4o n LYS 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k4o s ARG 231 N -5.61 -0.01 0.29 0.00 3.52 -1.26 -2.51 118.95 113.37 3k4o s ARG 231 Ca 0.70 0.48 -0.10 0.00 -0.13 0.00 0.00 55.73 56.69 3k4o s ARG 231 Cb -0.08 -0.35 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 3k4o s ARG 231 CO 0.54 -0.30 0.51 0.20 -0.81 0.00 0.00 175.30 175.43 3k4o s GLY 232 N 2.16 0.83 -0.05 8.12 0.00 -0.98 -2.15 107.32 115.24 3k4o s GLY 232 Ca 0.03 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 43.72 3k4o s GLY 232 CO -0.05 -0.72 -0.21 -1.36 0.00 0.00 0.00 173.10 170.76 3k4o s PHE 233 N -3.53 2.10 -0.33 1.90 0.08 -0.67 -0.27 117.98 117.26 3k4o s PHE 233 Ca 0.24 -0.63 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 3k4o s PHE 233 Cb -0.01 -1.39 0.04 0.00 -0.57 0.00 0.00 43.02 41.09 3k4o s PHE 233 CO 0.13 -0.20 0.08 0.08 -0.10 0.00 0.00 175.22 175.21 3k4o s VAL 234 N -0.04 3.65 0.38 -0.44 1.01 0.10 -0.95 120.40 124.11 3k4o s VAL 234 Ca -0.05 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 60.83 3k4o s VAL 234 Cb -0.13 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3k4o s VAL 234 CO 0.03 -0.15 0.19 0.72 0.00 0.00 0.00 175.10 175.89 3k4o s PHE 235 N 1.38 1.76 -0.43 5.22 -0.12 -0.89 -0.20 117.98 124.70 3k4o s PHE 235 Ca -0.02 -1.45 -0.23 0.00 -0.05 0.00 0.00 56.93 55.17 3k4o s PHE 235 Cb -0.19 -0.97 0.02 0.00 -0.63 0.00 0.00 43.02 41.25 3k4o s PHE 235 CO 0.02 -0.54 0.80 1.21 -0.05 0.00 0.00 175.22 176.66 3k4o s ASN 236 N -3.51 6.45 0.03 1.98 3.84 -0.73 -1.07 114.94 121.93 3k4o s ASN 236 Ca 0.30 0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.66 3k4o s ASN 236 Cb 0.02 -2.40 1.10 0.00 -0.55 0.00 0.00 41.25 39.42 3k4o s ASN 236 CO 0.20 -0.89 1.84 0.61 -2.79 0.00 0.00 177.10 176.07 3k4o n GLY 237 N 4.88 -1.45 0.08 1.21 0.00 0.43 -3.20 105.19 107.14 3k4o n GLY 237 Ca 0.03 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3k4o n GLY 237 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k4o n ASN 238 N -1.61 0.71 -4.65 1.61 3.02 -1.25 -4.79 115.26 108.30 3k4o n ASN 238 Ca 0.06 0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 54.58 3k4o n ASN 238 Cb 0.32 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3k4o n ASN 238 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3k4o s LYS 239 N -3.11 4.21 0.06 3.52 2.20 -1.19 -4.99 119.74 120.44 3k4o s LYS 239 Ca 0.09 0.79 -0.37 0.00 -0.36 0.00 0.00 55.97 56.12 3k4o s LYS 239 Cb 0.13 -3.61 -0.18 0.00 -1.51 0.00 0.00 37.83 32.67 3k4o s LYS 239 CO 0.64 -0.36 1.15 0.00 -0.36 0.00 0.00 175.35 176.42 3k4o n ALA 240 N 5.45 -2.27 -0.55 3.13 0.00 -1.26 -1.63 120.51 123.38 3k4o n ALA 240 Ca 0.02 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3k4o n ALA 240 Cb 0.49 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3k4o n ALA 240 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k4o n ASN 241 N 1.97 0.00 -0.03 0.00 3.02 -1.26 -4.87 115.26 114.09 3k4o n ASN 241 Ca 0.19 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.62 3k4o n ASN 241 Cb 0.15 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 3k4o n ASN 241 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3k4o h ASN 242 N 0.00 0.18 -0.31 6.41 -0.26 -1.60 0.11 115.58 120.11 3k4o h ASN 242 Ca 0.00 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.58 3k4o h ASN 242 Cb 0.00 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 3k4o h ASN 242 CO 0.00 0.30 0.19 0.40 -1.06 0.00 0.00 177.43 177.26 3k4o h ILE 243 N 0.05 1.06 0.15 2.81 2.04 -1.85 0.35 117.51 122.11 3k4o h ILE 243 Ca 0.04 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3k4o h ILE 243 Cb 0.18 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3k4o h ILE 243 CO -0.00 0.07 -0.20 0.22 0.00 0.00 0.00 178.15 178.24 3k4o h TYR 244 N 0.40 -0.52 -0.73 1.37 3.20 -1.77 -1.11 116.97 117.81 3k4o h TYR 244 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.03 3k4o h TYR 244 Cb -0.02 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 3k4o h TYR 244 CO -0.07 -0.29 0.45 0.87 -1.64 0.00 0.00 178.16 177.48 3k4o h LYS 245 N -0.40 0.84 -0.46 1.82 1.57 -0.48 -2.33 116.57 117.13 3k4o h LYS 245 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3k4o h LYS 245 Cb 0.40 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3k4o h LYS 245 CO -0.08 0.55 0.15 0.00 -0.57 0.00 0.00 179.45 179.50 3k4o h ALA 246 N 1.33 1.40 0.00 3.86 0.00 0.05 -1.82 119.26 124.08 3k4o h ALA 246 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k4o h ALA 246 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k4o h ALA 246 CO -0.13 0.44 -0.01 -0.07 0.00 0.00 0.00 179.25 179.49 3k4o h LEU 247 N 0.66 0.00 -1.88 0.00 3.38 -0.67 -2.66 115.31 114.14 3k4o h LEU 247 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3k4o h LEU 247 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k4o h LEU 247 CO -0.01 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3k4o n LEU 248 N -3.10 2.71 0.00 1.67 4.32 -0.73 -4.86 117.00 117.02 3k4o n LEU 248 Ca 0.01 -1.37 0.00 0.00 -0.02 0.00 0.00 56.01 54.63 3k4o n LEU 248 Cb 0.37 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 3k4o n LEU 248 CO 0.29 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 3k4o n GLY 249 N 0.40 1.16 3.76 -0.72 0.00 -1.00 -5.01 105.19 103.79 3k4o n GLY 249 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3k4o n GLY 249 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k4o s GLU 250 N -0.03 4.46 0.18 1.61 2.12 -0.95 -5.00 118.70 121.09 3k4o s GLU 250 Ca 0.00 1.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.80 3k4o s GLU 250 Cb 0.00 -2.99 -0.08 0.00 0.26 0.00 0.00 34.13 31.32 3k4o s GLU 250 CO 0.00 0.06 1.08 0.08 -0.54 0.00 0.00 175.26 175.94 3k4o s VAL 251 N -1.29 3.94 -0.03 3.70 1.01 -1.26 -4.17 120.40 122.30 3k4o s VAL 251 Ca 0.49 1.69 -0.03 0.00 0.00 0.00 0.00 61.98 64.13 3k4o s VAL 251 Cb -0.30 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3k4o s VAL 251 CO 0.39 0.30 0.08 -1.61 0.00 0.00 0.00 175.10 174.25 3k4o s GLU 252 N -0.40 0.08 5.95 2.72 0.41 -1.26 -4.96 118.70 121.25 3k4o s GLU 252 Ca 0.48 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 3k4o s GLU 252 Cb -0.29 0.01 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 3k4o s GLU 252 CO 0.34 -0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.49 3k4o n GLY 253 N 3.20 2.92 3.65 -1.39 0.00 -1.26 -4.23 105.19 108.08 3k4o n GLY 253 Ca -0.14 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3k4o n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4o s THR 254 N 0.00 4.92 -0.11 2.61 2.01 0.72 -4.78 115.64 121.01 3k4o s THR 254 Ca 0.00 1.39 -0.14 0.00 0.31 0.00 0.00 61.69 63.25 3k4o s THR 254 Cb 0.00 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3k4o s THR 254 CO 0.00 0.01 0.33 -0.70 -0.69 0.00 0.00 174.62 173.56 3k4o s GLU 255 N 2.46 4.08 -0.62 4.92 2.12 -0.61 0.02 118.70 131.07 3k4o s GLU 255 Ca 0.32 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.90 3k4o s GLU 255 Cb -0.16 -3.34 0.20 0.00 0.26 0.00 0.00 34.13 31.09 3k4o s GLU 255 CO 0.09 0.42 0.55 -0.89 -0.54 0.00 0.00 175.26 174.88 3k4o n ILE 256 N 2.92 1.22 -2.93 -3.70 5.41 0.63 -1.10 119.36 121.82 3k4o n ILE 256 Ca -0.13 -4.68 -0.44 0.00 1.00 0.00 0.00 62.75 58.50 3k4o n ILE 256 Cb 0.52 -2.06 -0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3k4o n ILE 256 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3k4o s ASP 257 N -1.52 7.00 -1.43 4.38 3.68 -1.25 -2.33 116.67 125.20 3k4o s ASP 257 Ca 0.31 -2.84 -0.09 0.00 2.13 0.00 0.00 52.55 52.06 3k4o s ASP 257 Cb 0.04 -2.41 0.05 0.00 -1.45 0.00 0.00 42.92 39.16 3k4o s ASP 257 CO -0.12 -0.81 2.44 0.33 0.13 0.00 0.00 175.17 177.14 3k4o n PHE 258 N 5.88 2.76 -0.43 -5.34 -0.00 -1.04 -4.89 117.46 114.39 3k4o n PHE 258 Ca 0.35 -2.93 0.00 0.00 -0.00 0.00 0.00 57.45 54.88 3k4o n PHE 258 Cb 0.44 -2.19 0.00 0.00 -0.00 0.00 0.00 39.48 37.73 3k4o n PHE 258 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63