#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfg s THR 3 N 0.00 4.39 -0.00 2.61 -4.23 -1.26 -5.07 115.64 112.07 1kfg s THR 3 Ca 0.00 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1kfg s THR 3 Cb 0.00 -2.92 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 1kfg s THR 3 CO 0.00 0.51 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.17 1kfg s TYR 4 N 0.01 0.99 -0.84 3.99 1.51 -1.26 -5.08 117.35 116.67 1kfg s TYR 4 Ca 0.03 -0.20 -0.25 0.00 -1.01 0.00 0.00 57.07 55.64 1kfg s TYR 4 Cb -0.13 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.12 1kfg s TYR 4 CO 0.02 -0.01 1.44 1.21 -1.11 0.00 0.00 175.55 177.09 1kfg s ASN 5 N -0.36 6.14 0.33 2.29 3.84 -1.26 -4.81 114.94 121.10 1kfg s ASN 5 Ca 0.04 -0.77 0.13 0.00 0.21 0.00 0.00 52.86 52.47 1kfg s ASN 5 Cb -0.05 -2.56 0.55 0.00 -0.55 0.00 0.00 41.25 38.64 1kfg s ASN 5 CO -0.00 -1.83 1.71 1.88 -2.79 0.00 0.00 177.10 176.07 1kfg h TYR 6 N 10.47 0.00 -0.28 0.43 0.05 -1.74 -2.74 116.97 123.16 1kfg h TYR 6 Ca -0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 1kfg h TYR 6 Cb 1.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1kfg h TYR 6 CO 1.18 0.49 0.07 0.78 -1.05 0.00 0.00 178.16 179.63 1kfg h GLY 7 N 1.63 0.48 1.14 3.88 0.00 -1.43 -0.03 103.07 108.74 1kfg h GLY 7 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1kfg h GLY 7 CO 0.06 0.28 -0.03 -2.09 0.00 0.00 0.00 176.54 174.76 1kfg h GLU 8 N 0.28 1.02 -0.71 4.80 4.81 -1.70 -1.52 114.58 121.56 1kfg h GLU 8 Ca 0.09 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1kfg h GLU 8 Cb 0.28 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1kfg h GLU 8 CO 0.00 1.02 0.27 0.00 -0.73 0.00 0.00 179.01 179.57 1kfg h ALA 9 N 1.02 0.93 -0.18 2.92 0.00 -1.31 -1.96 119.26 120.68 1kfg h ALA 9 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kfg h ALA 9 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kfg h ALA 9 CO 0.03 0.56 0.09 1.25 0.00 0.00 0.00 179.25 181.19 1kfg h LEU 10 N 1.03 0.23 -1.25 0.00 5.85 -0.68 -0.53 115.31 119.95 1kfg h LEU 10 Ca 0.23 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1kfg h LEU 10 Cb 0.24 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1kfg h LEU 10 CO -0.02 0.28 -0.01 0.06 -0.34 0.00 0.00 178.44 178.42 1kfg h GLN 11 N 0.16 0.50 -0.09 1.25 3.07 -1.15 -2.19 115.11 116.67 1kfg h GLN 11 Ca 0.06 -0.11 -0.22 0.00 0.09 0.00 0.00 58.65 58.47 1kfg h GLN 11 Cb 0.11 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 27.60 1kfg h GLN 11 CO -0.01 0.54 -0.85 0.87 0.09 0.00 0.00 178.83 179.47 1kfg h LYS 12 N 0.48 0.64 -0.60 0.06 1.57 -1.12 -1.85 116.57 115.75 1kfg h LYS 12 Ca 0.10 -0.58 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1kfg h LYS 12 Cb 0.32 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1kfg h LYS 12 CO 0.01 1.19 0.30 1.03 -0.57 0.00 0.00 179.45 181.41 1kfg h SER 13 N 0.41 0.75 -0.25 0.86 0.87 -0.83 -0.05 113.55 115.32 1kfg h SER 13 Ca -0.07 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 1kfg h SER 13 Cb 1.47 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1kfg h SER 13 CO 0.16 0.63 -0.27 0.40 -0.53 0.00 0.00 176.83 177.22 1kfg h ILE 14 N 0.84 1.31 -0.19 2.23 2.04 -1.35 -3.11 117.51 119.28 1kfg h ILE 14 Ca 0.21 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 1kfg h ILE 14 Cb 0.07 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1kfg h ILE 14 CO -0.03 0.45 0.07 -0.03 0.00 0.00 0.00 178.15 178.62 1kfg h MET 15 N 0.33 0.27 -0.77 2.37 4.05 -0.45 -2.66 114.93 118.06 1kfg h MET 15 Ca 0.04 -0.03 0.18 0.00 -0.28 0.00 0.00 59.70 59.61 1kfg h MET 15 Cb 0.84 -0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 31.45 1kfg h MET 15 CO 0.07 0.23 0.09 0.35 0.23 0.00 0.00 176.91 177.87 1kfg h PHE 16 N 0.27 0.10 0.00 1.39 3.57 -0.96 0.10 116.94 121.41 1kfg h PHE 16 Ca 0.07 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1kfg h PHE 16 Cb 0.06 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1kfg h PHE 16 CO 0.00 -0.20 -0.14 1.88 -2.23 0.00 0.00 178.31 177.62 1kfg h TYR 17 N 0.16 0.00 0.00 0.41 0.05 -1.61 -1.35 116.97 114.62 1kfg h TYR 17 Ca 0.44 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.17 1kfg h TYR 17 Cb 0.80 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 1kfg h TYR 17 CO -0.36 0.14 -0.22 0.93 -1.05 0.00 0.00 178.16 177.60 1kfg h GLU 18 N 0.00 0.00 0.00 4.88 5.08 -0.91 -1.04 114.58 122.59 1kfg h GLU 18 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kfg h GLU 18 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1kfg h GLU 18 CO 0.02 0.22 -0.01 0.74 -1.00 0.00 0.00 179.01 178.98 1kfg h PHE 19 N 0.00 0.00 -0.01 4.33 0.05 -1.11 -3.04 116.94 117.17 1kfg h PHE 19 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1kfg h PHE 19 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.36 1kfg h PHE 19 CO 0.00 0.00 -0.42 1.04 -0.18 0.00 0.00 178.31 178.75 1kfg n GLN 20 N -2.36 0.56 -1.76 1.51 1.13 -0.42 -4.98 117.38 111.05 1kfg n GLN 20 Ca 0.05 -0.36 -0.41 0.00 -1.94 0.00 0.00 57.00 54.34 1kfg n GLN 20 Cb 0.44 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.30 1kfg n GLN 20 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1kfg n ARG 21 N -0.91 2.58 -4.32 -1.09 1.74 -1.02 -0.34 116.66 113.30 1kfg n ARG 21 Ca 0.09 0.91 -0.25 0.00 -0.77 0.00 0.00 57.85 57.83 1kfg n ARG 21 Cb 0.36 -2.62 -0.09 0.00 -1.02 0.00 0.00 32.46 29.09 1kfg n ARG 21 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1kfg s SER 22 N -0.10 4.23 0.00 0.55 0.15 -0.24 -4.80 113.70 113.49 1kfg s SER 22 Ca 0.55 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1kfg s SER 22 Cb -0.49 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1kfg s SER 22 CO 0.62 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1kfg n GLY 23 N -0.40 -1.84 3.55 9.45 0.00 0.28 -3.66 105.19 112.57 1kfg n GLY 23 Ca -0.08 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 1kfg n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kfg s ASP 24 N -4.00 6.24 0.34 1.61 3.68 -1.26 -2.76 116.67 120.51 1kfg s ASP 24 Ca 0.00 -0.71 -0.28 0.00 2.13 0.00 0.00 52.55 53.70 1kfg s ASP 24 Cb 0.00 -2.56 -0.09 0.00 -1.45 0.00 0.00 42.92 38.82 1kfg s ASP 24 CO 0.00 -1.75 1.17 -0.76 0.13 0.00 0.00 175.17 173.97 1kfg s LEU 25 N 5.49 4.38 0.66 -1.34 1.43 -1.26 -4.99 118.68 123.05 1kfg s LEU 25 Ca 0.37 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 1kfg s LEU 25 Cb -0.06 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 1kfg s LEU 25 CO 0.09 -0.44 1.27 -2.16 0.23 0.00 0.00 176.35 175.34 1kfg s PRO 26 N -1.87 2.48 0.47 1.29 0.04 -1.26 -4.90 135.00 131.25 1kfg s PRO 26 Ca 0.50 2.00 0.22 0.00 0.04 0.00 0.00 61.00 63.76 1kfg s PRO 26 Cb -0.33 -1.84 1.19 0.00 0.04 0.00 0.00 34.50 33.56 1kfg s PRO 26 CO 0.43 -1.64 2.00 0.00 0.04 0.00 0.00 177.00 177.82 1kfg h ALA 27 N 0.39 1.37 -0.21 8.56 0.00 -2.05 -2.61 119.26 124.72 1kfg h ALA 27 Ca -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1kfg h ALA 27 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1kfg h ALA 27 CO 0.52 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1kfg n ASP 28 N -3.85 1.97 -4.75 0.00 5.75 -1.26 -4.95 116.55 109.46 1kfg n ASP 28 Ca -0.02 -2.17 -0.35 0.00 -0.01 0.00 0.00 54.79 52.24 1kfg n ASP 28 Cb 0.28 -0.38 0.04 0.00 -1.03 0.00 0.00 41.12 40.03 1kfg n ASP 28 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1kfg s LYS 29 N -1.62 2.82 -0.46 0.11 -2.85 -0.98 -4.94 119.74 111.81 1kfg s LYS 29 Ca 0.17 1.78 0.04 0.00 -1.00 0.00 0.00 55.97 56.95 1kfg s LYS 29 Cb 0.11 -1.92 0.52 0.00 -2.06 0.00 0.00 37.83 34.48 1kfg s LYS 29 CO 0.08 -1.31 1.73 2.89 0.10 0.00 0.00 175.35 178.83 1kfg n ARG 30 N -1.85 2.53 -4.11 1.78 1.85 -1.26 -4.96 116.66 110.64 1kfg n ARG 30 Ca 0.13 -3.35 -0.09 0.00 -1.00 0.00 0.00 57.85 53.54 1kfg n ARG 30 Cb 0.50 -2.15 -0.10 0.00 -1.05 0.00 0.00 32.46 29.67 1kfg n ARG 30 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1kfg s ASP 31 N -2.18 0.34 -0.14 2.89 1.47 -1.26 0.33 116.67 118.11 1kfg s ASP 31 Ca 0.56 -1.10 0.16 0.00 1.18 0.00 0.00 52.55 53.35 1kfg s ASP 31 Cb 0.46 0.28 0.32 0.00 -0.34 0.00 0.00 42.92 43.63 1kfg s ASP 31 CO 0.03 -0.70 1.16 -0.46 0.68 0.00 0.00 175.17 175.88 1kfg n ASN 32 N -0.04 2.08 0.00 2.11 6.94 -1.16 -4.73 115.26 120.47 1kfg n ASN 32 Ca -0.09 -3.25 0.00 0.00 -0.02 0.00 0.00 54.58 51.22 1kfg n ASN 32 Cb 0.63 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1kfg n ASN 32 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 1kfg n TRP 33 N -1.28 0.00 -4.32 -2.53 4.27 -1.26 -3.39 117.44 108.92 1kfg n TRP 33 Ca 0.16 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.45 1kfg n TRP 33 Cb 0.66 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.52 1kfg n TRP 33 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1kfg s ARG 34 N -0.42 2.74 0.17 -2.67 1.81 -1.26 -4.39 118.95 114.93 1kfg s ARG 34 Ca 0.00 -0.63 -0.00 0.00 -1.72 0.00 0.00 55.73 53.38 1kfg s ARG 34 Cb 0.00 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 1kfg s ARG 34 CO 0.00 0.62 0.23 -3.47 -0.68 0.00 0.00 175.30 172.00 1kfg n ASP 35 N 1.45 -0.62 -4.59 0.23 4.64 -1.26 -4.90 116.55 111.50 1kfg n ASP 35 Ca -0.15 -1.96 -0.47 0.00 -1.38 0.00 0.00 54.79 50.83 1kfg n ASP 35 Cb 0.53 1.19 -0.03 0.00 -1.04 0.00 0.00 41.12 41.77 1kfg n ASP 35 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1kfg n ASP 36 N -1.96 1.42 -3.48 1.67 8.00 -1.26 -4.80 116.55 116.14 1kfg n ASP 36 Ca 0.01 1.16 -0.13 0.00 0.71 0.00 0.00 54.79 56.54 1kfg n ASP 36 Cb 0.29 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 1kfg n ASP 36 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1kfg s SER 37 N -0.21 -0.53 -1.42 -2.24 1.04 -1.11 -4.51 113.70 104.72 1kfg s SER 37 Ca 0.67 0.09 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 1kfg s SER 37 Cb -0.77 0.56 0.04 0.00 0.10 0.00 0.00 66.02 65.95 1kfg s SER 37 CO 0.55 -0.87 0.58 0.61 0.98 0.00 0.00 173.24 175.09 1kfg n GLY 38 N -0.08 -0.51 0.06 7.32 0.00 -1.26 -0.56 105.19 110.16 1kfg n GLY 38 Ca -0.17 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1kfg n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfg n MET 39 N -3.94 0.09 -0.32 1.61 0.00 -1.26 -2.13 117.12 111.17 1kfg n MET 39 Ca -0.06 0.32 0.07 0.00 0.00 0.00 0.00 57.70 58.04 1kfg n MET 39 Cb 0.58 -1.67 0.22 0.00 0.00 0.00 0.00 33.22 32.35 1kfg n MET 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1kfg n LYS 40 N -1.84 3.02 -1.67 0.03 5.02 -1.26 -4.95 118.16 116.51 1kfg n LYS 40 Ca 0.03 -2.42 -0.45 0.00 -2.02 0.00 0.00 58.31 53.46 1kfg n LYS 40 Cb 0.21 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1kfg n LYS 40 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kfg n ASP 41 N 0.46 3.88 0.00 4.39 9.92 -0.90 -0.70 116.55 133.59 1kfg n ASP 41 Ca 0.17 0.94 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 1kfg n ASP 41 Cb 0.62 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1kfg n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kfg n GLY 42 N 4.46 1.57 0.35 0.44 0.00 -1.26 -0.99 105.19 109.76 1kfg n GLY 42 Ca 0.21 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.40 1kfg n GLY 42 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfg h SER 43 N 0.00 0.00 0.82 1.61 4.64 -0.99 -0.59 113.55 119.05 1kfg h SER 43 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kfg h SER 43 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kfg h SER 43 CO 0.00 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 173.72 1kfg h ASP 44 N 0.00 0.00 0.00 4.97 2.03 -1.90 -2.90 116.42 118.62 1kfg h ASP 44 Ca 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1kfg h ASP 44 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1kfg h ASP 44 CO -0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 1kfg n VAL 45 N -2.70 0.60 -2.56 4.15 0.24 -0.33 -5.01 118.33 112.72 1kfg n VAL 45 Ca 0.01 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.34 61.45 1kfg n VAL 45 Cb 0.25 0.73 0.01 0.00 -1.47 0.00 0.00 33.84 33.36 1kfg n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kfg n GLY 46 N -0.30 0.15 3.02 7.63 0.00 -0.57 -5.04 105.19 110.08 1kfg n GLY 46 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 1kfg n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 47 N -2.78 0.70 -0.50 1.61 1.01 -0.72 -5.01 120.40 114.72 1kfg s VAL 47 Ca 0.12 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1kfg s VAL 47 Cb -0.05 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1kfg s VAL 47 CO 0.15 0.19 1.34 -0.62 0.00 0.00 0.00 175.10 176.16 1kfg s ASP 48 N -0.23 6.32 -0.21 3.32 2.15 -1.26 -3.66 116.67 123.10 1kfg s ASP 48 Ca 0.03 0.48 0.12 0.00 0.43 0.00 0.00 52.55 53.61 1kfg s ASP 48 Cb -0.04 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.46 1kfg s ASP 48 CO -0.00 -1.51 1.25 0.18 -0.17 0.00 0.00 175.17 174.91 1kfg n LEU 49 N 8.89 2.87 -4.82 -1.34 4.77 -0.16 -4.75 117.00 122.47 1kfg n LEU 49 Ca 0.13 -3.79 -0.33 0.00 -0.03 0.00 0.00 56.01 52.00 1kfg n LEU 49 Cb 0.49 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1kfg n LEU 49 CO 0.71 1.30 0.69 0.42 -1.33 0.00 0.00 177.39 179.18 1kfg s THR 50 N -3.20 4.23 0.00 -5.08 -4.23 -1.22 -4.70 115.64 101.45 1kfg s THR 50 Ca 0.38 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 1kfg s THR 50 Cb 0.36 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1kfg s THR 50 CO -0.05 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1kfg n GLY 51 N -1.17 -0.65 5.21 3.99 0.00 -1.24 -4.78 105.19 106.56 1kfg n GLY 51 Ca 0.07 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.94 1kfg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfg n GLY 52 N 0.00 -1.85 3.40 -0.02 0.00 -1.25 -4.41 105.19 101.05 1kfg n GLY 52 Ca 0.00 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1kfg n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kfg s TRP 53 N -0.38 2.52 0.41 1.61 0.51 -1.26 -1.08 118.94 121.27 1kfg s TRP 53 Ca 0.00 -0.29 -0.26 0.00 -2.12 0.00 0.00 56.10 53.43 1kfg s TRP 53 Cb 0.00 -1.55 -0.08 0.00 -0.81 0.00 0.00 33.47 31.03 1kfg s TRP 53 CO 0.00 0.11 1.26 0.71 -0.51 0.00 0.00 176.95 178.52 1kfg s TYR 54 N -0.72 2.89 0.05 -1.98 2.02 0.54 -4.66 117.35 115.49 1kfg s TYR 54 Ca 0.11 1.46 -0.32 0.00 -0.37 0.00 0.00 57.07 57.96 1kfg s TYR 54 Cb -0.10 -3.58 -0.18 0.00 -0.40 0.00 0.00 41.96 37.69 1kfg s TYR 54 CO 0.01 -1.85 1.45 0.22 -1.57 0.00 0.00 175.55 173.81 1kfg h ASP 55 N 2.63 -0.80 0.00 2.29 3.58 -1.40 -3.44 116.42 119.28 1kfg h ASP 55 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1kfg h ASP 55 Cb 1.24 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1kfg h ASP 55 CO 0.62 -0.50 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 1kfg n ALA 56 N -2.57 0.00 0.19 -0.78 0.00 -1.26 -1.36 120.51 114.73 1kfg n ALA 56 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1kfg n ALA 56 Cb 0.39 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.09 1kfg n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfg n GLY 57 N 1.21 1.67 0.54 0.00 0.00 -1.24 -4.83 105.19 102.53 1kfg n GLY 57 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1kfg n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kfg n ASP 58 N 1.07 1.68 -0.09 1.61 3.85 -1.26 -1.92 116.55 121.50 1kfg n ASP 58 Ca 0.19 -1.29 0.07 0.00 -0.71 0.00 0.00 54.79 53.05 1kfg n ASP 58 Cb 0.50 0.02 0.10 0.00 -1.35 0.00 0.00 41.12 40.40 1kfg n ASP 58 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1kfg n HIS 59 N -0.46 0.00 -2.82 2.11 8.25 -1.26 -4.42 115.22 116.62 1kfg n HIS 59 Ca -0.02 -0.82 -0.36 0.00 -0.26 0.00 0.00 57.72 56.26 1kfg n HIS 59 Cb 0.09 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 1kfg n HIS 59 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kfg s VAL 60 N -2.29 4.28 -0.46 1.59 1.01 -1.26 -4.85 120.40 118.42 1kfg s VAL 60 Ca 0.24 1.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.82 1kfg s VAL 60 Cb 0.21 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1kfg s VAL 60 CO 0.02 0.06 0.33 -0.54 0.00 0.00 0.00 175.10 174.97 1kfg s LYS 61 N -2.26 2.63 -0.49 2.72 1.02 -0.15 -1.30 119.74 121.91 1kfg s LYS 61 Ca 0.52 -1.59 -0.14 0.00 0.02 0.00 0.00 55.97 54.78 1kfg s LYS 61 Cb -0.17 -3.92 0.10 0.00 -0.52 0.00 0.00 37.83 33.32 1kfg s LYS 61 CO 0.21 -1.09 0.41 -0.06 -0.92 0.00 0.00 175.35 173.91 1kfg s PHE 62 N 1.44 3.27 0.55 3.18 0.08 -1.26 -2.05 117.98 123.19 1kfg s PHE 62 Ca 0.04 -1.20 0.37 0.00 0.12 0.00 0.00 56.93 56.26 1kfg s PHE 62 Cb -0.25 -3.38 2.01 0.00 -0.57 0.00 0.00 43.02 40.83 1kfg s PHE 62 CO 0.02 -0.89 2.26 -0.91 -0.10 0.00 0.00 175.22 175.59 1kfg h ASN 63 N 8.73 0.00 0.51 1.36 -0.26 -1.80 -2.36 115.58 121.76 1kfg h ASN 63 Ca -0.28 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 1kfg h ASN 63 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.37 1kfg h ASN 63 CO 0.92 0.02 -0.24 0.25 -1.06 0.00 0.00 177.43 177.31 1kfg h LEU 64 N 0.00 -0.58 -1.38 1.61 5.85 -1.89 0.16 115.31 119.08 1kfg h LEU 64 Ca -0.00 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1kfg h LEU 64 Cb 0.10 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1kfg h LEU 64 CO 0.00 -0.17 -0.30 1.55 -0.34 0.00 0.00 178.44 179.19 1kfg h PRO 65 N -1.12 0.00 -0.26 5.25 0.13 -1.87 -0.81 132.00 133.32 1kfg h PRO 65 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1kfg h PRO 65 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1kfg h PRO 65 CO 0.11 0.30 0.04 1.98 -0.23 0.00 0.00 178.00 180.21 1kfg h MET 66 N 0.00 0.43 -0.07 0.86 4.05 -1.39 -0.19 114.93 118.61 1kfg h MET 66 Ca -0.00 -0.11 -0.15 0.00 -0.28 0.00 0.00 59.70 59.15 1kfg h MET 66 Cb 0.60 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1kfg h MET 66 CO 0.04 0.55 -0.62 0.66 0.23 0.00 0.00 176.91 177.77 1kfg h SER 67 N 0.24 0.28 -0.57 1.39 4.64 -0.75 -2.35 113.55 116.43 1kfg h SER 67 Ca 0.08 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1kfg h SER 67 Cb 0.33 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1kfg h SER 67 CO 0.00 0.82 0.33 0.22 -0.87 0.00 0.00 176.83 177.33 1kfg h TYR 68 N 0.18 0.77 0.59 4.77 3.20 -0.98 -1.34 116.97 124.16 1kfg h TYR 68 Ca -0.01 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1kfg h TYR 68 Cb 1.13 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1kfg h TYR 68 CO 0.02 0.54 -0.36 1.15 -1.64 0.00 0.00 178.16 177.88 1kfg h THR 69 N 0.77 0.27 0.00 1.81 2.02 -0.65 -1.21 112.91 115.91 1kfg h THR 69 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1kfg h THR 69 Cb 0.02 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1kfg h THR 69 CO -0.04 0.00 -0.16 0.77 0.37 0.00 0.00 175.52 176.47 1kfg h SER 70 N -0.90 0.00 -0.55 4.18 4.64 -1.40 -0.83 113.55 118.69 1kfg h SER 70 Ca -0.07 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1kfg h SER 70 Cb 0.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1kfg h SER 70 CO 0.08 0.16 -0.02 0.00 -0.87 0.00 0.00 176.83 176.18 1kfg h ALA 71 N 1.84 0.75 -0.41 5.18 0.00 -0.96 -1.04 119.26 124.62 1kfg h ALA 71 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1kfg h ALA 71 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kfg h ALA 71 CO 0.02 0.59 -0.20 0.52 0.00 0.00 0.00 179.25 180.18 1kfg h MET 72 N 0.87 0.81 -0.46 0.00 2.86 -0.34 -0.35 114.93 118.32 1kfg h MET 72 Ca 0.15 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1kfg h MET 72 Cb 0.56 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1kfg h MET 72 CO 0.03 0.94 0.06 -0.07 1.06 0.00 0.00 176.91 178.93 1kfg h LEU 73 N 0.71 0.74 -0.92 1.22 3.38 -0.98 -1.40 115.31 118.05 1kfg h LEU 73 Ca 0.10 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1kfg h LEU 73 Cb 0.72 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1kfg h LEU 73 CO 0.06 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.46 1kfg h ALA 74 N 0.94 1.11 -0.22 1.53 0.00 -1.04 -1.54 119.26 120.05 1kfg h ALA 74 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kfg h ALA 74 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1kfg h ALA 74 CO 0.01 0.57 0.14 2.35 0.00 0.00 0.00 179.25 182.32 1kfg h TRP 75 N 0.79 0.28 -0.51 0.00 7.01 -0.71 0.30 115.95 123.12 1kfg h TRP 75 Ca 0.16 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1kfg h TRP 75 Cb 0.40 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.33 1kfg h TRP 75 CO 0.02 0.19 0.25 1.03 -2.79 0.00 0.00 178.44 177.14 1kfg h SER 76 N 0.28 0.34 0.02 2.65 0.87 -0.86 -0.26 113.55 116.60 1kfg h SER 76 Ca 0.08 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1kfg h SER 76 Cb -0.01 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1kfg h SER 76 CO -0.02 0.24 -0.16 0.25 -0.53 0.00 0.00 176.83 176.61 1kfg h LEU 77 N 0.48 0.26 -0.42 2.23 5.85 -0.92 0.18 115.31 122.96 1kfg h LEU 77 Ca 0.23 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 1kfg h LEU 77 Cb 0.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1kfg h LEU 77 CO -0.17 0.44 -0.34 0.22 -0.34 0.00 0.00 178.44 178.25 1kfg h TYR 78 N 0.25 1.13 0.17 1.25 3.20 -0.06 -2.77 116.97 120.14 1kfg h TYR 78 Ca 0.05 -0.32 -0.30 0.00 3.14 0.00 0.00 58.73 61.30 1kfg h TYR 78 Cb 0.43 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.47 1kfg h TYR 78 CO 0.01 1.15 -1.36 0.93 -1.64 0.00 0.00 178.16 177.25 1kfg h GLU 79 N 0.79 0.35 -1.36 1.82 4.39 -0.68 -3.41 114.58 116.49 1kfg h GLU 79 Ca 0.07 -0.60 -0.48 0.00 0.34 0.00 0.00 59.36 58.69 1kfg h GLU 79 Cb 0.93 0.22 -0.41 0.00 -0.10 0.00 0.00 28.75 29.40 1kfg h GLU 79 CO 0.09 1.28 -0.96 -0.25 -1.16 0.00 0.00 179.01 178.01 1kfg n ASP 80 N -3.58 3.05 0.13 1.42 8.00 0.59 -4.87 116.55 121.30 1kfg n ASP 80 Ca -0.12 -3.24 0.09 0.00 0.71 0.00 0.00 54.79 52.23 1kfg n ASP 80 Cb 1.05 -0.50 0.58 0.00 -0.02 0.00 0.00 41.12 42.23 1kfg n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1kfg h LYS 81 N 2.81 0.17 -0.61 -1.24 3.64 -1.70 -0.91 116.57 118.74 1kfg h LYS 81 Ca 0.10 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1kfg h LYS 81 Cb 1.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1kfg h LYS 81 CO 0.68 0.11 0.37 0.38 -2.27 0.00 0.00 179.45 178.72 1kfg h ASP 82 N 0.18 0.71 -0.38 4.20 -0.00 -1.89 0.43 116.42 119.67 1kfg h ASP 82 Ca 0.10 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.03 57.03 1kfg h ASP 82 Cb 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 1kfg h ASP 82 CO -0.02 0.54 -0.02 0.00 -0.00 0.00 0.00 179.24 179.75 1kfg h ALA 83 N 1.58 0.51 -0.20 4.15 0.00 -1.50 -1.18 119.26 122.62 1kfg h ALA 83 Ca 0.22 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1kfg h ALA 83 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1kfg h ALA 83 CO -0.04 0.30 -0.47 1.88 0.00 0.00 0.00 179.25 180.92 1kfg h TYR 84 N 0.50 0.64 -0.05 0.00 0.05 -1.27 -1.51 116.97 115.33 1kfg h TYR 84 Ca 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1kfg h TYR 84 Cb 0.49 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1kfg h TYR 84 CO 0.04 0.90 -0.02 -0.44 -1.05 0.00 0.00 178.16 177.59 1kfg h ASP 85 N 0.42 0.11 -0.87 3.88 3.32 -0.84 -0.67 116.42 121.76 1kfg h ASP 85 Ca 0.02 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 1kfg h ASP 85 Cb 0.99 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 1kfg h ASP 85 CO 0.09 0.48 0.45 0.11 -1.72 0.00 0.00 179.24 178.65 1kfg h LYS 86 N -0.27 1.24 0.00 3.56 6.56 -1.17 -2.02 116.57 124.47 1kfg h LYS 86 Ca 0.01 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1kfg h LYS 86 Cb 0.44 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1kfg h LYS 86 CO 0.01 0.93 0.00 -1.13 -2.06 0.00 0.00 179.45 177.20 1kfg n SER 87 N -4.31 0.00 -0.97 0.86 3.41 -0.57 -4.89 113.62 107.14 1kfg n SER 87 Ca 0.09 -0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.37 1kfg n SER 87 Cb 0.12 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.77 1kfg n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfg n GLY 88 N 1.06 1.31 0.48 5.00 0.00 -0.76 -4.83 105.19 107.44 1kfg n GLY 88 Ca 0.14 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1kfg n GLY 88 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kfg n GLN 89 N -2.63 1.41 -0.17 1.61 1.13 -0.32 -4.60 117.38 113.81 1kfg n GLN 89 Ca -0.13 -0.99 -0.02 0.00 -1.94 0.00 0.00 57.00 53.93 1kfg n GLN 89 Cb 0.41 -1.41 0.06 0.00 0.11 0.00 0.00 30.24 29.41 1kfg n GLN 89 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1kfg h THR 90 N 2.34 0.52 -0.77 5.09 2.02 -1.76 -1.58 112.91 118.76 1kfg h THR 90 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1kfg h THR 90 Cb 0.70 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1kfg h THR 90 CO 0.00 0.01 0.49 0.11 0.37 0.00 0.00 175.52 176.50 1kfg h LYS 91 N 0.06 0.92 -0.39 6.66 6.56 -1.89 -1.73 116.57 126.76 1kfg h LYS 91 Ca 0.27 -0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.70 1kfg h LYS 91 Cb 0.42 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1kfg h LYS 91 CO -0.50 0.61 -0.18 1.88 -2.06 0.00 0.00 179.45 179.20 1kfg h TYR 92 N 0.95 0.93 -0.04 -1.35 -1.99 -1.62 -1.52 116.97 112.33 1kfg h TYR 92 Ca 0.31 -0.23 -0.15 0.00 2.00 0.00 0.00 58.73 60.67 1kfg h TYR 92 Cb 0.03 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 1kfg h TYR 92 CO -0.03 0.98 -0.64 0.97 -0.00 0.00 0.00 178.16 179.43 1kfg h ILE 93 N 0.61 1.42 -0.55 -2.88 2.10 -1.22 -2.14 117.51 114.84 1kfg h ILE 93 Ca 0.09 -2.11 -0.10 0.00 1.08 0.00 0.00 64.86 63.82 1kfg h ILE 93 Cb 0.73 2.11 -0.02 0.00 -1.09 0.00 0.00 36.82 38.54 1kfg h ILE 93 CO 0.05 0.62 -0.03 0.24 -1.08 0.00 0.00 178.15 177.95 1kfg h MET 94 N 0.11 0.98 -0.52 2.19 2.86 -1.25 0.49 114.93 119.79 1kfg h MET 94 Ca -0.01 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 1kfg h MET 94 Cb 1.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1kfg h MET 94 CO 0.09 0.99 0.09 -0.44 1.06 0.00 0.00 176.91 178.71 1kfg h ASP 95 N 0.89 0.77 -0.36 1.22 3.32 -1.06 -0.17 116.42 121.03 1kfg h ASP 95 Ca 0.16 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1kfg h ASP 95 Cb 0.57 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1kfg h ASP 95 CO 0.03 0.77 -0.24 1.23 -1.72 0.00 0.00 179.24 179.32 1kfg h GLY 96 N 0.97 0.87 1.01 2.75 0.00 -0.89 -0.34 103.07 107.43 1kfg h GLY 96 Ca 0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1kfg h GLY 96 CO 0.00 0.74 0.37 -2.22 0.00 0.00 0.00 176.54 175.44 1kfg h ILE 97 N 0.59 1.23 -0.15 2.60 2.04 -0.59 -2.29 117.51 120.95 1kfg h ILE 97 Ca 0.07 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 1kfg h ILE 97 Cb 0.80 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1kfg h ILE 97 CO 0.07 0.27 -0.40 0.50 0.00 0.00 0.00 178.15 178.59 1kfg h LYS 98 N 1.04 0.33 -0.26 2.37 3.64 -0.90 -1.92 116.57 120.87 1kfg h LYS 98 Ca 0.26 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1kfg h LYS 98 Cb 0.09 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1kfg h LYS 98 CO -0.04 0.68 0.16 2.35 -2.27 0.00 0.00 179.45 180.33 1kfg h TRP 99 N 0.28 0.35 -0.09 1.91 2.91 -0.51 0.12 115.95 120.91 1kfg h TRP 99 Ca 0.03 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 1kfg h TRP 99 Cb 0.82 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1kfg h TRP 99 CO 0.02 0.27 -0.02 0.00 -1.03 0.00 0.00 178.44 177.68 1kfg h ALA 100 N 1.05 0.12 0.00 2.65 0.00 -1.38 -3.13 119.26 118.58 1kfg h ALA 100 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1kfg h ALA 100 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1kfg h ALA 100 CO -0.02 -0.16 -0.39 -0.91 0.00 0.00 0.00 179.25 177.78 1kfg h ASN 101 N -0.15 0.00 -0.29 0.00 2.35 -1.23 -1.69 115.58 114.56 1kfg h ASN 101 Ca 0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1kfg h ASN 101 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1kfg h ASN 101 CO 0.01 0.39 0.03 0.44 -1.65 0.00 0.00 177.43 176.64 1kfg h ASP 102 N 0.00 0.56 -0.17 5.81 3.32 -0.80 -1.26 116.42 123.89 1kfg h ASP 102 Ca -0.00 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 1kfg h ASP 102 Cb 0.72 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1kfg h ASP 102 CO 0.05 0.62 -0.47 0.22 -1.72 0.00 0.00 179.24 177.94 1kfg h TYR 103 N 0.58 0.81 -0.26 4.55 3.20 -1.36 -2.61 116.97 121.88 1kfg h TYR 103 Ca 0.12 -0.32 -0.03 0.00 3.14 0.00 0.00 58.73 61.65 1kfg h TYR 103 Cb 0.33 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1kfg h TYR 103 CO 0.01 1.09 0.05 0.74 -1.64 0.00 0.00 178.16 178.41 1kfg h PHE 104 N 0.29 0.37 -0.53 -3.82 0.04 -0.96 -0.80 116.94 111.53 1kfg h PHE 104 Ca -0.01 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1kfg h PHE 104 Cb 1.09 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.10 1kfg h PHE 104 CO 0.10 0.34 0.11 0.82 -0.60 0.00 0.00 178.31 179.07 1kfg h ILE 105 N 0.36 1.25 -0.16 -0.55 2.04 -1.18 -2.42 117.51 116.86 1kfg h ILE 105 Ca 0.09 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1kfg h ILE 105 Cb 0.17 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1kfg h ILE 105 CO -0.00 0.33 -0.04 0.11 0.00 0.00 0.00 178.15 178.55 1kfg h LYS 106 N 0.76 0.24 0.00 2.37 1.57 -0.85 -2.02 116.57 118.63 1kfg h LYS 106 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1kfg h LYS 106 Cb 0.37 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1kfg h LYS 106 CO 0.01 0.30 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1kfg n ASN 108 N -1.43 4.19 0.26 0.00 4.05 -0.76 -0.13 115.26 121.45 1kfg n ASN 108 Ca 0.07 -3.61 0.11 0.00 0.45 0.00 0.00 54.58 51.60 1kfg n ASN 108 Cb 0.23 -0.59 0.72 0.00 1.23 0.00 0.00 39.78 41.37 1kfg n ASN 108 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1kfg h PRO 109 N 3.26 0.00 -3.06 1.20 0.13 -1.69 -3.44 132.00 128.41 1kfg h PRO 109 Ca 0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1kfg h PRO 109 Cb 0.55 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.47 1kfg h PRO 109 CO 0.81 0.08 -0.32 -0.08 -0.23 0.00 0.00 178.00 178.26 1kfg s THR 110 N -4.58 0.04 0.17 1.56 -1.32 -1.26 -5.11 115.64 105.14 1kfg s THR 110 Ca -0.04 -0.35 -0.34 0.00 -1.21 0.00 0.00 61.69 59.75 1kfg s THR 110 Cb 0.15 -0.54 -0.15 0.00 -1.51 0.00 0.00 72.50 70.45 1kfg s THR 110 CO 0.61 -0.19 1.43 -2.65 -2.21 0.00 0.00 174.62 171.61 1kfg n PRO 111 N 1.79 1.78 -0.35 7.08 -0.02 -1.26 -1.94 135.00 142.07 1kfg n PRO 111 Ca -0.19 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1kfg n PRO 111 Cb 0.56 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1kfg n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfg n GLY 112 N 2.71 0.77 3.08 -1.23 0.00 -1.26 -5.04 105.19 104.20 1kfg n GLY 112 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1kfg n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 113 N -2.76 1.44 -0.06 1.61 1.01 -0.82 -4.21 120.40 116.61 1kfg s VAL 113 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1kfg s VAL 113 Cb 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1kfg s VAL 113 CO 0.00 0.42 0.04 -0.47 0.00 0.00 0.00 175.10 175.09 1kfg s TYR 114 N 0.67 0.35 -0.14 5.22 5.04 -0.92 -4.21 117.35 123.35 1kfg s TYR 114 Ca -0.14 0.03 -0.25 0.00 -2.44 0.00 0.00 57.07 54.28 1kfg s TYR 114 Cb -0.16 -0.64 -0.02 0.00 0.35 0.00 0.00 41.96 41.49 1kfg s TYR 114 CO 0.04 -0.27 0.80 0.71 -1.34 0.00 0.00 175.55 175.49 1kfg s TYR 115 N 2.08 3.46 -1.14 4.97 2.02 0.82 -0.93 117.35 128.62 1kfg s TYR 115 Ca 0.05 1.26 0.09 0.00 -0.37 0.00 0.00 57.07 58.09 1kfg s TYR 115 Cb -0.12 -2.97 0.07 0.00 -0.40 0.00 0.00 41.96 38.54 1kfg s TYR 115 CO -0.04 -0.17 0.79 2.48 -1.57 0.00 0.00 175.55 177.04 1kfg n TYR 116 N 4.90 0.00 -3.61 2.71 0.18 -0.23 -4.81 117.16 116.31 1kfg n TYR 116 Ca 0.03 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.68 1kfg n TYR 116 Cb 0.49 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.39 1kfg n TYR 116 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1kfg s GLN 117 N -0.77 0.77 -0.09 -3.48 0.74 -1.22 -2.07 119.66 113.53 1kfg s GLN 117 Ca 0.11 0.69 -0.01 0.00 0.05 0.00 0.00 55.36 56.20 1kfg s GLN 117 Cb 0.08 0.37 0.03 0.00 1.10 0.00 0.00 33.01 34.58 1kfg s GLN 117 CO 0.12 -0.14 -0.04 0.08 -0.55 0.00 0.00 175.29 174.76 1kfg s VAL 118 N -0.06 0.72 0.00 1.34 1.01 -0.87 -1.47 120.40 121.07 1kfg s VAL 118 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1kfg s VAL 118 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1kfg s VAL 118 CO 0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1kfg n GLY 119 N 4.92 2.83 3.44 4.51 0.00 0.49 -0.98 105.19 120.39 1kfg n GLY 119 Ca -0.11 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1kfg n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kfg s ASP 120 N 0.00 4.88 0.23 1.61 -1.08 -1.26 -4.73 116.67 116.32 1kfg s ASP 120 Ca 0.00 -0.21 -0.07 0.00 -0.52 0.00 0.00 52.55 51.75 1kfg s ASP 120 Cb 0.00 -1.84 0.38 0.00 -1.46 0.00 0.00 42.92 40.00 1kfg s ASP 120 CO 0.00 0.04 1.69 1.23 0.52 0.00 0.00 175.17 178.65 1kfg h GLY 121 N 7.67 0.90 0.94 2.66 0.00 -1.96 0.17 103.07 113.43 1kfg h GLY 121 Ca -0.37 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1kfg h GLY 121 CO 0.61 -0.16 0.09 -1.33 0.00 0.00 0.00 176.54 175.74 1kfg h GLY 122 N 0.26 0.70 1.23 4.60 0.00 -1.97 -1.52 103.07 106.37 1kfg h GLY 122 Ca 0.37 -0.45 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 1kfg h GLY 122 CO -0.47 0.41 -0.64 0.50 0.00 0.00 0.00 176.54 176.34 1kfg h LYS 123 N 0.52 0.79 -0.24 4.80 1.57 -1.80 -3.12 116.57 119.09 1kfg h LYS 123 Ca 0.13 -0.56 -0.08 0.00 -1.87 0.00 0.00 60.65 58.27 1kfg h LYS 123 Cb 0.32 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1kfg h LYS 123 CO 0.00 1.18 -0.17 0.22 -0.57 0.00 0.00 179.45 180.11 1kfg h ASP 124 N 0.58 0.57 1.13 0.86 1.82 -0.66 -3.23 116.42 117.49 1kfg h ASP 124 Ca -0.01 -0.44 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1kfg h ASP 124 Cb 1.25 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1kfg h ASP 124 CO 0.13 0.89 0.00 0.45 -1.61 0.00 0.00 179.24 179.10 1kfg h HIS 125 N 0.25 0.00 0.00 0.28 3.86 -1.37 -3.14 115.15 115.03 1kfg h HIS 125 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1kfg h HIS 125 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1kfg h HIS 125 CO 0.07 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.73 1kfg n SER 126 N -2.52 0.00 -3.91 2.45 3.41 -1.18 -4.71 113.62 107.16 1kfg n SER 126 Ca 0.03 -1.56 -0.19 0.00 -0.26 0.00 0.00 58.87 56.89 1kfg n SER 126 Cb 0.33 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1kfg n SER 126 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1kfg s TRP 127 N -2.00 0.66 -0.51 7.33 -0.00 -1.19 -5.11 118.94 118.12 1kfg s TRP 127 Ca 0.17 -0.16 -0.03 0.00 -0.00 0.00 0.00 56.10 56.09 1kfg s TRP 127 Cb 0.08 -0.55 0.13 0.00 -0.00 0.00 0.00 33.47 33.13 1kfg s TRP 127 CO 0.13 -0.13 0.32 -0.46 -0.00 0.00 0.00 176.95 176.81 1kfg s TRP 128 N 0.60 3.50 0.25 5.86 -0.11 -1.26 -5.02 118.94 122.76 1kfg s TRP 128 Ca -0.08 -2.54 -0.21 0.00 1.22 0.00 0.00 56.10 54.49 1kfg s TRP 128 Cb -0.11 -3.22 0.06 0.00 -1.50 0.00 0.00 33.47 28.70 1kfg s TRP 128 CO -0.00 -0.91 0.90 0.20 -4.62 0.00 0.00 176.95 172.52 1kfg s GLY 129 N 1.31 0.08 0.36 5.86 0.00 -1.26 -3.67 107.32 110.00 1kfg s GLY 129 Ca 0.12 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.23 1kfg s GLY 129 CO -0.04 0.68 1.18 2.56 0.00 0.00 0.00 173.10 177.48 1kfg s PRO 130 N -2.72 4.25 0.26 2.90 0.04 -1.26 -4.33 135.00 134.15 1kfg s PRO 130 Ca 0.16 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 1kfg s PRO 130 Cb -0.04 -2.87 0.58 0.00 0.04 0.00 0.00 34.50 32.21 1kfg s PRO 130 CO 0.07 -0.17 1.69 0.00 0.04 0.00 0.00 177.00 178.62 1kfg h ALA 131 N 3.05 1.15 -0.36 8.56 0.00 -1.93 -2.29 119.26 127.43 1kfg h ALA 131 Ca -0.48 0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1kfg h ALA 131 Cb 1.23 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1kfg h ALA 131 CO 0.64 -0.34 0.37 0.93 0.00 0.00 0.00 179.25 180.85 1kfg h GLU 132 N 0.32 0.00 -0.03 0.00 3.07 -1.87 -2.80 114.58 113.27 1kfg h GLU 132 Ca 0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.33 1kfg h GLU 132 Cb 0.86 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1kfg h GLU 132 CO -0.53 0.00 -0.24 1.33 -1.40 0.00 0.00 179.01 178.17 1kfg n VAL 133 N -3.80 2.10 -1.69 3.13 0.24 -0.86 -4.86 118.33 112.58 1kfg n VAL 133 Ca 0.06 -2.75 -0.43 0.00 -2.04 0.00 0.00 64.34 59.18 1kfg n VAL 133 Cb 0.54 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.65 1kfg n VAL 133 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1kfg n MET 134 N -1.23 2.07 -0.00 7.34 2.81 -1.06 -4.91 117.12 122.14 1kfg n MET 134 Ca 0.19 0.73 0.01 0.00 -1.81 0.00 0.00 57.70 56.82 1kfg n MET 134 Cb 0.70 -2.30 -0.02 0.00 -0.71 0.00 0.00 33.22 30.89 1kfg n MET 134 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1kfg n GLN 135 N 0.71 5.57 -1.98 0.03 1.13 -1.26 -5.04 117.38 116.53 1kfg n GLN 135 Ca 0.06 -0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.82 1kfg n GLN 135 Cb 0.35 -0.67 0.03 0.00 0.11 0.00 0.00 30.24 30.06 1kfg n GLN 135 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kfg s MET 136 N -1.35 3.13 0.58 -1.09 0.23 -1.26 -5.03 119.30 114.51 1kfg s MET 136 Ca 0.01 0.48 -0.20 0.00 -1.03 0.00 0.00 55.69 54.95 1kfg s MET 136 Cb 0.02 -2.09 -0.04 0.00 -1.53 0.00 0.00 34.83 31.19 1kfg s MET 136 CO 0.12 -0.81 1.24 -1.21 -2.03 0.00 0.00 175.02 172.33 1kfg s GLU 137 N -5.23 3.04 -0.49 3.16 2.02 -1.26 -4.99 118.70 114.95 1kfg s GLU 137 Ca 0.56 1.91 0.05 0.00 0.02 0.00 0.00 54.97 57.51 1kfg s GLU 137 Cb -0.11 -2.02 0.19 0.00 0.10 0.00 0.00 34.13 32.29 1kfg s GLU 137 CO 0.51 -1.17 0.44 0.54 0.02 0.00 0.00 175.26 175.60 1kfg n ARG 138 N -1.42 0.83 -1.75 1.61 1.74 -1.26 -4.67 116.66 111.74 1kfg n ARG 138 Ca 0.13 -3.59 -0.38 0.00 -0.77 0.00 0.00 57.85 53.24 1kfg n ARG 138 Cb 0.49 -1.76 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1kfg n ARG 138 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1kfg s PRO 139 N -0.71 2.83 -0.08 5.56 0.04 -1.26 -4.13 135.00 137.25 1kfg s PRO 139 Ca 0.32 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.50 1kfg s PRO 139 Cb 0.06 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1kfg s PRO 139 CO -0.16 -1.41 0.06 -1.12 0.04 0.00 0.00 177.00 174.41 1kfg s SER 140 N -1.15 5.69 0.03 6.66 0.01 -1.26 -0.38 113.70 123.29 1kfg s SER 140 Ca 0.77 0.24 0.06 0.00 1.31 0.00 0.00 55.95 58.34 1kfg s SER 140 Cb -0.39 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 1kfg s SER 140 CO 0.44 0.36 -0.17 -0.36 0.41 0.00 0.00 173.24 173.93 1kfg s PHE 141 N -1.00 1.47 0.13 2.43 0.40 -0.54 -5.00 117.98 115.87 1kfg s PHE 141 Ca 0.16 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1kfg s PHE 141 Cb -0.12 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1kfg s PHE 141 CO 0.05 0.04 -0.02 -1.59 0.70 0.00 0.00 175.22 174.41 1kfg s LYS 142 N -0.99 0.95 0.21 0.44 -2.85 -1.26 -1.06 119.74 115.18 1kfg s LYS 142 Ca 0.05 -1.43 0.09 0.00 -1.00 0.00 0.00 55.97 53.68 1kfg s LYS 142 Cb -0.08 -0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.51 1kfg s LYS 142 CO 0.01 -0.11 -0.18 0.14 0.10 0.00 0.00 175.35 175.31 1kfg s VAL 143 N -3.72 2.02 0.03 1.79 -7.23 -0.11 -4.93 120.40 108.25 1kfg s VAL 143 Ca 0.19 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1kfg s VAL 143 Cb 0.06 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1kfg s VAL 143 CO -0.00 -0.41 0.05 -0.90 -0.31 0.00 0.00 175.10 173.53 1kfg n ASP 144 N -0.16 -0.15 -0.18 4.85 3.85 -0.12 -2.16 116.55 122.49 1kfg n ASP 144 Ca -0.09 -1.11 0.11 0.00 -0.71 0.00 0.00 54.79 52.98 1kfg n ASP 144 Cb 0.59 0.25 0.42 0.00 -1.35 0.00 0.00 41.12 41.03 1kfg n ASP 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfg h ALA 145 N 1.94 1.88 0.00 2.12 0.00 -1.96 -1.90 119.26 121.34 1kfg h ALA 145 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1kfg h ALA 145 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kfg h ALA 145 CO 0.03 -0.04 -0.53 0.66 0.00 0.00 0.00 179.25 179.37 1kfg h SER 146 N 0.60 0.00 -2.46 0.00 4.64 -1.95 -3.38 113.55 111.00 1kfg h SER 146 Ca 0.35 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.07 1kfg h SER 146 Cb 0.54 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.24 1kfg h SER 146 CO -0.12 0.31 -0.91 0.29 -0.87 0.00 0.00 176.83 175.52 1kfg n LYS 147 N -3.09 0.52 -1.97 4.77 5.02 -0.79 -4.92 118.16 117.70 1kfg n LYS 147 Ca 0.01 -3.42 -0.35 0.00 -2.02 0.00 0.00 58.31 52.54 1kfg n LYS 147 Cb 0.67 -1.76 0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1kfg n LYS 147 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kfg s PRO 148 N -0.30 2.98 -0.40 1.97 0.04 -0.78 -0.94 135.00 137.56 1kfg s PRO 148 Ca 0.32 1.62 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1kfg s PRO 148 Cb 0.03 -1.95 0.27 0.00 0.04 0.00 0.00 34.50 32.89 1kfg s PRO 148 CO -0.19 -1.15 0.62 0.41 0.04 0.00 0.00 177.00 176.74 1kfg n GLY 149 N 0.08 2.57 0.19 0.56 0.00 -1.20 0.40 105.19 107.78 1kfg n GLY 149 Ca 0.12 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 1kfg n GLY 149 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kfg h SER 150 N 3.79 0.05 0.25 1.61 0.02 -1.41 -0.34 113.55 117.54 1kfg h SER 150 Ca 0.04 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1kfg h SER 150 Cb 0.92 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1kfg h SER 150 CO 0.44 0.06 -0.13 0.00 -1.14 0.00 0.00 176.83 176.06 1kfg h ALA 151 N 1.34 -0.35 -0.18 3.77 0.00 -1.85 -0.24 119.26 121.75 1kfg h ALA 151 Ca 0.22 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1kfg h ALA 151 Cb 0.27 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1kfg h ALA 151 CO -0.27 -0.70 -0.46 -0.24 0.00 0.00 0.00 179.25 177.58 1kfg h VAL 152 N -0.35 1.32 -0.34 0.00 3.04 -1.91 -0.04 116.25 117.97 1kfg h VAL 152 Ca -0.03 -1.65 -0.07 0.00 -1.01 0.00 0.00 66.70 63.93 1kfg h VAL 152 Cb 0.27 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1kfg h VAL 152 CO 0.05 0.51 -0.06 0.00 -1.01 0.00 0.00 177.57 177.06 1kfg h ALA 154 N 0.82 0.70 -0.78 0.00 0.00 -0.95 -0.16 119.26 118.89 1kfg h ALA 154 Ca 0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1kfg h ALA 154 Cb 0.55 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1kfg h ALA 154 CO 0.03 0.67 0.39 1.03 0.00 0.00 0.00 179.25 181.37 1kfg h SER 155 N 0.80 0.99 -0.17 0.00 0.87 -0.93 -0.01 113.55 115.10 1kfg h SER 155 Ca 0.09 -0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 1kfg h SER 155 Cb 0.84 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1kfg h SER 155 CO 0.07 0.82 -0.61 0.74 -0.53 0.00 0.00 176.83 177.33 1kfg h THR 156 N 1.10 1.29 -1.00 2.23 2.02 -1.01 -1.87 112.91 115.66 1kfg h THR 156 Ca 0.27 -1.81 0.02 0.00 0.77 0.00 0.00 66.41 65.66 1kfg h THR 156 Cb 0.08 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1kfg h THR 156 CO -0.04 0.58 0.66 0.00 0.37 0.00 0.00 175.52 177.09 1kfg h ALA 157 N 0.73 1.28 -0.49 6.16 0.00 -0.50 0.36 119.26 126.81 1kfg h ALA 157 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1kfg h ALA 157 Cb 1.20 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1kfg h ALA 157 CO 0.13 0.62 0.22 0.00 0.00 0.00 0.00 179.25 180.21 1kfg h ALA 158 N 1.38 0.64 -0.05 0.00 0.00 -0.81 0.20 119.26 120.61 1kfg h ALA 158 Ca 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1kfg h ALA 158 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1kfg h ALA 158 CO -0.10 0.22 0.03 1.03 0.00 0.00 0.00 179.25 180.43 1kfg h SER 159 N 0.65 0.06 -0.64 0.00 0.87 -0.65 0.79 113.55 114.64 1kfg h SER 159 Ca 0.17 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1kfg h SER 159 Cb 0.15 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1kfg h SER 159 CO -0.02 0.10 0.35 -0.07 -0.53 0.00 0.00 176.83 176.66 1kfg h LEU 160 N 0.01 0.80 -0.33 2.23 3.38 -0.76 0.10 115.31 120.74 1kfg h LEU 160 Ca 0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1kfg h LEU 160 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1kfg h LEU 160 CO -0.00 0.66 -0.02 0.00 0.09 0.00 0.00 178.44 179.17 1kfg h ALA 161 N 1.17 0.44 -0.15 1.53 0.00 -0.47 -0.98 119.26 120.80 1kfg h ALA 161 Ca 0.23 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1kfg h ALA 161 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1kfg h ALA 161 CO -0.04 0.22 -0.18 0.66 0.00 0.00 0.00 179.25 179.91 1kfg h SER 162 N 0.39 0.24 -0.57 0.00 4.64 -0.70 -1.53 113.55 116.03 1kfg h SER 162 Ca 0.09 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 1kfg h SER 162 Cb 0.48 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1kfg h SER 162 CO 0.02 0.45 0.09 0.00 -0.87 0.00 0.00 176.83 176.52 1kfg h ALA 163 N 1.58 0.76 -0.53 5.18 0.00 -0.60 -2.50 119.26 123.15 1kfg h ALA 163 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1kfg h ALA 163 Cb 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1kfg h ALA 163 CO 0.03 0.50 0.32 0.00 0.00 0.00 0.00 179.25 180.10 1kfg h ALA 164 N 1.00 0.68 -0.33 0.00 0.00 -0.47 -0.48 119.26 119.66 1kfg h ALA 164 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1kfg h ALA 164 Cb 0.41 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1kfg h ALA 164 CO 0.01 0.04 0.03 0.28 0.00 0.00 0.00 179.25 179.61 1kfg h VAL 165 N 0.64 0.79 0.00 0.00 2.07 -0.97 0.18 116.25 118.96 1kfg h VAL 165 Ca 0.21 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1kfg h VAL 165 Cb 0.01 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1kfg h VAL 165 CO -0.09 0.02 -0.18 1.33 0.02 0.00 0.00 177.57 178.68 1kfg n VAL 166 N -5.13 0.42 0.58 2.57 0.24 -0.97 -3.76 118.33 112.28 1kfg n VAL 166 Ca 0.01 -0.23 0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1kfg n VAL 166 Cb 0.16 -0.41 -0.12 0.00 -1.47 0.00 0.00 33.84 31.99 1kfg n VAL 166 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1kfg n PHE 167 N -2.08 0.00 -0.21 6.34 3.72 -0.21 -4.62 117.46 120.41 1kfg n PHE 167 Ca 0.05 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.46 1kfg n PHE 167 Cb 0.41 -0.16 0.10 0.00 -0.94 0.00 0.00 39.48 38.90 1kfg n PHE 167 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1kfg h LYS 168 N 0.00 0.11 -0.56 -1.08 3.64 -1.05 0.12 116.57 117.74 1kfg h LYS 168 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1kfg h LYS 168 Cb 0.60 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1kfg h LYS 168 CO 0.00 0.07 0.18 1.03 -2.27 0.00 0.00 179.45 178.46 1kfg h SER 169 N 0.11 0.81 0.64 4.20 0.87 -1.82 -2.84 113.55 115.52 1kfg h SER 169 Ca 0.33 -0.20 -0.27 0.00 -1.23 0.00 0.00 61.79 60.41 1kfg h SER 169 Cb 0.53 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1kfg h SER 169 CO -0.54 0.80 -1.46 0.77 -0.53 0.00 0.00 176.83 175.87 1kfg h SER 170 N 0.78 0.07 -1.08 6.23 4.64 -1.76 -3.44 113.55 118.99 1kfg h SER 170 Ca 0.18 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1kfg h SER 170 Cb 0.27 -0.02 -0.21 0.00 -0.31 0.00 0.00 62.40 62.14 1kfg h SER 170 CO -0.01 1.09 -0.45 1.51 -0.87 0.00 0.00 176.83 178.11 1kfg s ASP 171 N -6.45 -1.34 0.45 4.97 3.84 0.37 -5.02 116.67 113.49 1kfg s ASP 171 Ca -0.04 -0.52 0.13 0.00 -0.00 0.00 0.00 52.55 52.12 1kfg s ASP 171 Cb 0.08 1.88 1.04 0.00 -1.38 0.00 0.00 42.92 44.54 1kfg s ASP 171 CO 0.83 -0.22 2.02 1.55 -0.00 0.00 0.00 175.17 179.35 1kfg h PRO 172 N 7.34 0.36 -0.51 2.11 0.13 -1.63 -2.20 132.00 137.60 1kfg h PRO 172 Ca 0.03 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1kfg h PRO 172 Cb 1.17 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1kfg h PRO 172 CO 0.13 0.24 0.21 1.15 -0.23 0.00 0.00 178.00 179.49 1kfg h THR 173 N 0.37 1.21 -0.33 1.56 2.02 -1.92 0.55 112.91 116.38 1kfg h THR 173 Ca 0.21 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 1kfg h THR 173 Cb 0.35 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1kfg h THR 173 CO -0.05 0.25 -0.21 0.22 0.37 0.00 0.00 175.52 176.10 1kfg h TYR 174 N 0.68 0.84 -0.97 3.16 -0.00 -1.83 -1.20 116.97 117.65 1kfg h TYR 174 Ca 0.17 -0.22 0.01 0.00 -0.00 0.00 0.00 58.73 58.68 1kfg h TYR 174 Cb 0.19 -0.19 -0.05 0.00 -0.00 0.00 0.00 36.73 36.68 1kfg h TYR 174 CO 0.00 0.95 0.63 0.00 -0.00 0.00 0.00 178.16 179.75 1kfg h ALA 175 N 0.76 1.23 -0.57 1.82 0.00 -1.03 0.33 119.26 121.80 1kfg h ALA 175 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1kfg h ALA 175 Cb 0.75 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1kfg h ALA 175 CO 0.06 0.64 0.22 1.49 0.00 0.00 0.00 179.25 181.66 1kfg h GLU 176 N 1.32 0.86 -0.42 0.00 4.81 0.29 -1.36 114.58 120.08 1kfg h GLU 176 Ca 0.35 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1kfg h GLU 176 Cb -0.14 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1kfg h GLU 176 CO -0.07 0.75 0.11 -0.22 -0.73 0.00 0.00 179.01 178.84 1kfg h LYS 177 N 0.79 0.66 -0.51 1.92 3.64 -0.43 -2.16 116.57 120.48 1kfg h LYS 177 Ca 0.19 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1kfg h LYS 177 Cb 0.21 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1kfg h LYS 177 CO -0.01 0.66 0.27 0.00 -2.27 0.00 0.00 179.45 178.10 1kfg h ILE 179 N 0.54 1.21 -0.28 0.00 2.04 -1.08 0.80 117.51 120.74 1kfg h ILE 179 Ca 0.22 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1kfg h ILE 179 Cb 0.09 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 1kfg h ILE 179 CO -0.13 0.21 0.04 -1.28 0.00 0.00 0.00 178.15 176.99 1kfg h SER 180 N 1.09 -0.03 0.52 1.72 0.87 -0.87 0.37 113.55 117.22 1kfg h SER 180 Ca 0.29 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.75 1kfg h SER 180 Cb -0.09 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1kfg h SER 180 CO -0.06 0.02 -0.67 0.45 -0.53 0.00 0.00 176.83 176.04 1kfg h HIS 181 N 0.13 0.18 -0.72 2.24 3.86 -1.15 -3.01 115.15 116.68 1kfg h HIS 181 Ca 0.13 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1kfg h HIS 181 Cb 0.15 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1kfg h HIS 181 CO -0.18 0.76 0.30 0.00 0.86 0.00 0.00 177.93 179.67 1kfg h ALA 182 N 1.22 0.93 -0.74 2.45 0.00 -0.17 -2.16 119.26 120.79 1kfg h ALA 182 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1kfg h ALA 182 Cb 1.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1kfg h ALA 182 CO 0.10 0.54 0.25 0.87 0.00 0.00 0.00 179.25 181.01 1kfg h LYS 183 N 1.03 1.14 -0.24 0.00 1.57 -0.88 -0.72 116.57 118.46 1kfg h LYS 183 Ca 0.24 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1kfg h LYS 183 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1kfg h LYS 183 CO -0.02 0.95 -0.15 -0.97 -0.57 0.00 0.00 179.45 178.69 1kfg h ASN 184 N 1.10 0.55 -0.51 0.86 -0.73 -1.37 -0.89 115.58 114.58 1kfg h ASN 184 Ca 0.24 -0.43 -0.09 0.00 1.87 0.00 0.00 56.30 57.89 1kfg h ASN 184 Cb 0.28 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 1kfg h ASN 184 CO -0.01 0.86 -0.01 -0.07 -0.37 0.00 0.00 177.43 177.83 1kfg h LEU 185 N 0.25 0.93 -0.39 0.34 3.38 -1.32 -0.51 115.31 118.00 1kfg h LEU 185 Ca 0.05 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1kfg h LEU 185 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1kfg h LEU 185 CO 0.04 1.00 0.01 0.15 0.09 0.00 0.00 178.44 179.73 1kfg h PHE 186 N 0.88 0.73 -0.80 1.13 3.57 -1.09 -1.23 116.94 120.12 1kfg h PHE 186 Ca 0.16 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1kfg h PHE 186 Cb 0.53 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1kfg h PHE 186 CO 0.03 0.75 0.41 0.22 -2.23 0.00 0.00 178.31 177.50 1kfg h ASP 187 N 0.50 1.03 -0.04 0.41 3.58 -0.87 0.23 116.42 121.26 1kfg h ASP 187 Ca 0.11 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1kfg h ASP 187 Cb 0.45 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1kfg h ASP 187 CO 0.02 0.85 -0.03 0.24 -2.88 0.00 0.00 179.24 177.44 1kfg h MET 188 N 1.13 -0.04 -0.53 0.28 2.86 -0.85 -1.06 114.93 116.72 1kfg h MET 188 Ca 0.28 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1kfg h MET 188 Cb 0.08 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1kfg h MET 188 CO -0.04 -0.03 0.26 0.00 1.06 0.00 0.00 176.91 178.16 1kfg h ALA 189 N 0.99 0.68 -0.27 6.32 0.00 -0.80 -2.17 119.26 124.02 1kfg h ALA 189 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1kfg h ALA 189 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1kfg h ALA 189 CO -0.06 0.24 0.11 0.22 0.00 0.00 0.00 179.25 179.76 1kfg h ASP 190 N 0.71 0.38 -0.16 0.00 3.58 -0.40 -1.51 116.42 119.02 1kfg h ASP 190 Ca 0.18 -0.16 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 1kfg h ASP 190 Cb 0.11 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1kfg h ASP 190 CO -0.02 0.43 -0.41 0.11 -2.88 0.00 0.00 179.24 176.47 1kfg h LYS 191 N 0.29 0.70 0.02 0.28 1.57 -1.17 -3.32 116.57 114.94 1kfg h LYS 191 Ca 0.09 -0.37 -0.23 0.00 -1.87 0.00 0.00 60.65 58.27 1kfg h LYS 191 Cb 0.17 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.52 1kfg h LYS 191 CO -0.01 0.98 -0.90 0.00 -0.57 0.00 0.00 179.45 178.95 1kfg h ALA 192 N 0.97 0.09 -6.72 3.86 0.00 -1.35 -3.48 119.26 112.63 1kfg h ALA 192 Ca 0.05 -0.66 -0.55 0.00 0.00 0.00 0.00 54.91 53.75 1kfg h ALA 192 Cb 0.95 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1kfg h ALA 192 CO 0.09 0.56 -0.95 1.63 0.00 0.00 0.00 179.25 180.57 1kfg n LYS 193 N -3.99 -1.52 -3.58 0.00 5.02 -0.57 -4.95 118.16 108.57 1kfg n LYS 193 Ca -0.11 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 1kfg n LYS 193 Cb 0.82 -3.70 -0.06 0.00 -0.02 0.00 0.00 35.03 32.07 1kfg n LYS 193 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kfg s SER 194 N -4.01 -0.53 -0.11 4.39 0.15 -1.26 -5.02 113.70 107.31 1kfg s SER 194 Ca 0.21 0.72 0.15 0.00 0.70 0.00 0.00 55.95 57.72 1kfg s SER 194 Cb -0.10 0.63 0.47 0.00 -1.71 0.00 0.00 66.02 65.31 1kfg s SER 194 CO 0.94 -0.38 1.38 0.47 1.20 0.00 0.00 173.24 176.85 1kfg n ASP 195 N 1.30 3.64 -0.32 5.45 8.00 -1.26 -1.12 116.55 132.25 1kfg n ASP 195 Ca -0.14 -2.61 0.15 0.00 0.71 0.00 0.00 54.79 52.91 1kfg n ASP 195 Cb 0.57 -0.44 0.39 0.00 -0.02 0.00 0.00 41.12 41.63 1kfg n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfg h ALA 196 N 2.08 1.88 -0.01 2.24 0.00 -1.94 -0.54 119.26 122.98 1kfg h ALA 196 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kfg h ALA 196 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1kfg h ALA 196 CO 0.15 -0.23 -0.15 0.41 0.00 0.00 0.00 179.25 179.43 1kfg n GLY 197 N -1.40 -0.68 3.49 0.00 0.00 0.16 -4.62 105.19 102.14 1kfg n GLY 197 Ca 0.22 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1kfg n GLY 197 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfg s TYR 198 N -2.41 3.05 -0.01 1.61 5.04 -0.21 -4.70 117.35 119.71 1kfg s TYR 198 Ca 0.29 -1.47 0.01 0.00 -2.44 0.00 0.00 57.07 53.46 1kfg s TYR 198 Cb 0.20 -4.43 -0.02 0.00 0.35 0.00 0.00 41.96 38.06 1kfg s TYR 198 CO 0.47 -1.59 0.01 0.25 -1.34 0.00 0.00 175.55 173.35 1kfg n THR 199 N 5.68 0.10 0.31 4.34 -2.24 -1.26 -4.72 114.28 116.49 1kfg n THR 199 Ca 0.31 -0.07 0.19 0.00 -2.27 0.00 0.00 64.05 62.22 1kfg n THR 199 Cb 0.48 -0.83 1.05 0.00 -2.10 0.00 0.00 70.33 68.93 1kfg n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfg h ALA 200 N 0.09 1.28 -0.05 6.98 0.00 -1.99 -1.63 119.26 123.93 1kfg h ALA 200 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kfg h ALA 200 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1kfg h ALA 200 CO 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1kfg n ALA 201 N -2.17 2.52 -1.65 0.00 0.00 -1.26 -4.76 120.51 113.18 1kfg n ALA 201 Ca -0.02 -0.58 -0.52 0.00 0.00 0.00 0.00 53.44 52.32 1kfg n ALA 201 Cb 0.12 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 1kfg n ALA 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kfg n SER 202 N 0.72 2.29 0.00 0.00 2.88 -0.62 -0.29 113.62 118.61 1kfg n SER 202 Ca 0.17 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1kfg n SER 202 Cb 0.46 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1kfg n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kfg n GLY 203 N 3.35 2.02 0.61 0.46 0.00 -1.26 -4.77 105.19 105.60 1kfg n GLY 203 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 1kfg n GLY 203 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kfg n TYR 204 N -2.00 0.00 -2.72 1.61 4.02 0.61 -4.88 117.16 113.80 1kfg n TYR 204 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1kfg n TYR 204 Cb 0.00 -0.29 0.02 0.00 -0.02 0.00 0.00 39.34 39.05 1kfg n TYR 204 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1kfg n TYR 205 N -3.83 1.13 -1.69 -0.72 4.01 0.54 -5.10 117.16 111.49 1kfg n TYR 205 Ca -0.12 -2.94 -0.41 0.00 -0.16 0.00 0.00 57.90 54.28 1kfg n TYR 205 Cb 0.37 -0.37 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 1kfg n TYR 205 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1kfg n SER 206 N -0.03 2.42 -4.67 7.72 7.64 -1.23 -4.81 113.62 120.66 1kfg n SER 206 Ca 0.12 1.09 -0.38 0.00 1.01 0.00 0.00 58.87 60.72 1kfg n SER 206 Cb 0.79 -1.49 -0.08 0.00 -1.01 0.00 0.00 64.21 62.42 1kfg n SER 206 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1kfg s SER 207 N -0.57 6.33 0.00 6.43 0.15 -1.26 -4.94 113.70 119.83 1kfg s SER 207 Ca 0.62 0.38 0.20 0.00 0.70 0.00 0.00 55.95 57.84 1kfg s SER 207 Cb -0.51 -2.19 0.40 0.00 -1.71 0.00 0.00 66.02 62.01 1kfg s SER 207 CO 0.57 -0.03 1.34 -1.54 1.20 0.00 0.00 173.24 174.78 1kfg n SER 208 N 4.43 3.29 -3.61 5.45 3.41 -1.26 -4.98 113.62 120.35 1kfg n SER 208 Ca -0.10 -1.94 -0.07 0.00 -0.26 0.00 0.00 58.87 56.50 1kfg n SER 208 Cb 0.51 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1kfg n SER 208 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kfg s SER 209 N -1.28 -0.26 0.00 4.04 1.04 -1.26 -5.06 113.70 110.92 1kfg s SER 209 Ca 0.35 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1kfg s SER 209 Cb 0.20 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1kfg s SER 209 CO 0.27 -0.19 0.00 2.22 0.98 0.00 0.00 173.24 176.52 1kfg n PHE 210 N 1.04 0.00 0.18 5.02 1.16 -1.26 -4.73 117.46 118.87 1kfg n PHE 210 Ca -0.08 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.53 1kfg n PHE 210 Cb 0.58 0.00 0.39 0.00 -1.61 0.00 0.00 39.48 38.83 1kfg n PHE 210 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1kfg h TYR 211 N 0.00 0.07 -0.32 2.97 -1.99 -1.95 0.39 116.97 116.14 1kfg h TYR 211 Ca 0.00 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1kfg h TYR 211 Cb 0.00 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1kfg h TYR 211 CO 0.00 0.35 -0.12 0.38 -0.00 0.00 0.00 178.16 178.77 1kfg h ASP 212 N 0.05 0.67 -0.40 3.88 2.03 -1.91 -2.18 116.42 118.57 1kfg h ASP 212 Ca 0.01 -0.39 -0.07 0.00 -0.73 0.00 0.00 57.03 55.84 1kfg h ASP 212 Cb 0.55 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 1kfg h ASP 212 CO 0.04 0.90 -0.00 0.44 -1.03 0.00 0.00 179.24 179.59 1kfg h ASP 213 N 0.42 0.76 -0.47 4.15 5.19 -1.69 -1.40 116.42 123.37 1kfg h ASP 213 Ca 0.08 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1kfg h ASP 213 Cb 0.64 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1kfg h ASP 213 CO 0.04 0.83 0.25 -0.07 -3.12 0.00 0.00 179.24 177.17 1kfg h LEU 214 N 0.74 0.60 -0.21 1.55 3.38 -0.78 0.71 115.31 121.29 1kfg h LEU 214 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1kfg h LEU 214 Cb 0.45 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1kfg h LEU 214 CO 0.02 0.52 0.06 0.28 0.09 0.00 0.00 178.44 179.42 1kfg h SER 215 N 0.62 0.32 -0.38 -0.43 0.02 -1.10 -0.59 113.55 112.01 1kfg h SER 215 Ca 0.17 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1kfg h SER 215 Cb 0.06 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1kfg h SER 215 CO -0.03 0.44 0.12 -0.25 -1.14 0.00 0.00 176.83 175.98 1kfg h TRP 216 N 0.17 0.22 -0.44 3.45 2.91 -1.12 0.12 115.95 121.26 1kfg h TRP 216 Ca 0.07 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.04 1kfg h TRP 216 Cb 0.24 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1kfg h TRP 216 CO 0.00 0.08 0.03 0.00 -1.03 0.00 0.00 178.44 177.52 1kfg h ALA 217 N 1.25 0.59 -0.67 2.65 0.00 -0.77 -2.32 119.26 120.00 1kfg h ALA 217 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1kfg h ALA 217 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1kfg h ALA 217 CO -0.19 0.36 0.31 0.00 0.00 0.00 0.00 179.25 179.73 1kfg h ALA 218 N 0.92 0.87 -0.40 0.00 0.00 -0.61 -0.36 119.26 119.68 1kfg h ALA 218 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kfg h ALA 218 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1kfg h ALA 218 CO 0.02 0.45 0.26 0.28 0.00 0.00 0.00 179.25 180.26 1kfg h VAL 219 N 0.94 1.11 -0.19 0.00 2.07 -0.64 -0.70 116.25 118.83 1kfg h VAL 219 Ca 0.23 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 1kfg h VAL 219 Cb 0.14 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1kfg h VAL 219 CO -0.03 0.10 -0.35 -0.50 0.02 0.00 0.00 177.57 176.82 1kfg h TRP 220 N 0.54 0.46 -0.33 1.57 4.06 -1.05 -2.02 115.95 119.18 1kfg h TRP 220 Ca 0.15 -0.11 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1kfg h TRP 220 Cb -0.05 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 1kfg h TRP 220 CO -0.05 0.70 -0.16 -0.07 -3.56 0.00 0.00 178.44 175.30 1kfg h LEU 221 N 0.34 0.59 -0.31 -4.49 3.38 -0.74 -0.78 115.31 113.31 1kfg h LEU 221 Ca 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1kfg h LEU 221 Cb 0.78 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1kfg h LEU 221 CO 0.06 0.77 0.16 0.22 0.09 0.00 0.00 178.44 179.75 1kfg h TYR 222 N 0.54 0.42 -0.14 1.13 3.20 -0.71 0.05 116.97 121.46 1kfg h TYR 222 Ca 0.09 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1kfg h TYR 222 Cb 0.59 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1kfg h TYR 222 CO 0.02 0.35 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.62 1kfg h LEU 223 N 0.37 0.23 0.00 2.82 3.38 -0.99 0.61 115.31 121.74 1kfg h LEU 223 Ca 0.11 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1kfg h LEU 223 Cb 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1kfg h LEU 223 CO -0.02 0.45 -0.93 0.00 0.09 0.00 0.00 178.44 178.03 1kfg h ALA 224 N 1.57 0.53 0.00 1.53 0.00 -0.89 -3.39 119.26 118.61 1kfg h ALA 224 Ca 0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 1kfg h ALA 224 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1kfg h ALA 224 CO 0.03 1.04 -1.47 0.25 0.00 0.00 0.00 179.25 179.10 1kfg n THR 225 N -3.24 0.14 -1.66 0.00 -2.24 -0.02 -4.89 114.28 102.37 1kfg n THR 225 Ca -0.02 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1kfg n THR 225 Cb 0.87 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 1kfg n THR 225 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kfg n ASN 226 N -1.94 -4.61 -4.46 3.42 4.13 0.21 -4.97 115.26 107.03 1kfg n ASN 226 Ca -0.05 0.25 -0.43 0.00 1.68 0.00 0.00 54.58 56.03 1kfg n ASN 226 Cb 0.37 -3.48 -0.10 0.00 -1.54 0.00 0.00 39.78 35.03 1kfg n ASN 226 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1kfg s ASP 227 N -2.71 6.11 0.14 6.41 -1.08 -1.25 -4.95 116.67 119.34 1kfg s ASP 227 Ca 0.00 -0.87 0.09 0.00 -0.52 0.00 0.00 52.55 51.25 1kfg s ASP 227 Cb 0.00 -2.16 0.50 0.00 -1.46 0.00 0.00 42.92 39.80 1kfg s ASP 227 CO 0.00 -0.44 1.29 -1.54 0.52 0.00 0.00 175.17 174.99 1kfg n SER 228 N 5.17 0.24 -0.25 -0.34 3.41 -1.26 -1.90 113.62 118.68 1kfg n SER 228 Ca -0.11 0.61 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1kfg n SER 228 Cb 0.47 -0.64 0.18 0.00 -0.26 0.00 0.00 64.21 63.95 1kfg n SER 228 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1kfg h THR 229 N 0.00 0.69 -0.01 6.66 2.02 -2.00 -0.73 112.91 119.55 1kfg h THR 229 Ca 0.00 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 1kfg h THR 229 Cb 0.00 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1kfg h THR 229 CO 0.00 0.08 -0.58 1.88 0.37 0.00 0.00 175.52 177.28 1kfg h TYR 230 N 0.47 0.03 -0.43 3.16 0.05 -1.69 -2.54 116.97 116.01 1kfg h TYR 230 Ca 0.40 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 59.09 1kfg h TYR 230 Cb 0.58 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 1kfg h TYR 230 CO -0.16 0.60 -0.05 1.25 -1.05 0.00 0.00 178.16 178.75 1kfg h LEU 231 N 0.02 0.78 -0.66 3.88 5.85 -1.31 -1.14 115.31 122.73 1kfg h LEU 231 Ca -0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1kfg h LEU 231 Cb 1.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1kfg h LEU 231 CO 0.08 0.93 0.42 0.44 -0.34 0.00 0.00 178.44 179.97 1kfg h ASP 232 N 0.62 0.76 -0.49 1.25 3.32 -1.18 -2.15 116.42 118.55 1kfg h ASP 232 Ca 0.12 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1kfg h ASP 232 Cb 0.56 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1kfg h ASP 232 CO 0.03 0.57 0.25 0.11 -1.72 0.00 0.00 179.24 178.48 1kfg h LYS 233 N 0.89 0.70 -0.83 3.56 1.57 -1.24 -1.29 116.57 119.93 1kfg h LYS 233 Ca 0.24 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1kfg h LYS 233 Cb -0.08 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 1kfg h LYS 233 CO -0.05 0.57 0.51 0.00 -0.57 0.00 0.00 179.45 179.90 1kfg h ALA 234 N 1.09 1.14 -0.08 3.86 0.00 -0.76 -1.89 119.26 122.62 1kfg h ALA 234 Ca 0.17 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1kfg h ALA 234 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1kfg h ALA 234 CO -0.02 0.23 -0.61 0.93 0.00 0.00 0.00 179.25 179.77 1kfg h GLU 235 N 0.92 0.30 0.00 0.00 5.08 -1.16 -3.21 114.58 116.50 1kfg h GLU 235 Ca 0.37 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1kfg h GLU 235 Cb 0.19 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1kfg h GLU 235 CO -0.18 0.82 -0.06 0.66 -1.00 0.00 0.00 179.01 179.24 1kfg h SER 236 N 0.22 0.00 1.42 1.42 4.64 -0.39 -2.63 113.55 118.23 1kfg h SER 236 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1kfg h SER 236 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1kfg h SER 236 CO 0.10 0.06 -0.28 1.88 -0.87 0.00 0.00 176.83 177.73 1kfg h TYR 237 N 0.00 0.00 -0.85 4.77 -1.99 -1.53 -3.39 116.97 113.98 1kfg h TYR 237 Ca -0.00 0.00 0.21 0.00 2.00 0.00 0.00 58.73 60.94 1kfg h TYR 237 Cb 0.16 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 38.76 1kfg h TYR 237 CO 0.00 0.00 0.26 0.28 -0.00 0.00 0.00 178.16 178.70 1kfg h VAL 238 N 0.00 0.41 0.00 -2.88 2.07 -1.61 0.16 116.25 114.41 1kfg h VAL 238 Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1kfg h VAL 238 Cb 0.85 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1kfg h VAL 238 CO 0.00 0.05 -0.00 -0.65 0.02 0.00 0.00 177.57 176.99 1kfg h PRO 239 N 0.28 0.00 -0.04 1.57 0.11 -1.81 -1.38 132.00 130.72 1kfg h PRO 239 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1kfg h PRO 239 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1kfg h PRO 239 CO -0.58 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.30 1kfg n ASN 240 N -3.74 2.06 -4.78 -2.05 3.02 0.03 -4.93 115.26 104.88 1kfg n ASN 240 Ca -0.03 -1.69 -0.32 0.00 -0.03 0.00 0.00 54.58 52.51 1kfg n ASN 240 Cb 0.08 -0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.30 1kfg n ASN 240 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1kfg s TRP 241 N -1.97 2.70 0.59 3.10 0.51 -0.52 -4.85 118.94 118.50 1kfg s TRP 241 Ca 0.34 1.53 -0.20 0.00 -2.12 0.00 0.00 56.10 55.66 1kfg s TRP 241 Cb 0.21 -3.07 -0.03 0.00 -0.81 0.00 0.00 33.47 29.77 1kfg s TRP 241 CO 0.32 -1.62 1.30 0.20 -0.51 0.00 0.00 176.95 176.64 1kfg s GLY 242 N -3.09 2.85 0.44 0.98 0.00 -1.26 -4.88 107.32 102.36 1kfg s GLY 242 Ca 0.63 1.22 0.06 0.00 0.00 0.00 0.00 44.72 46.63 1kfg s GLY 242 CO 0.49 1.68 0.04 0.54 0.00 0.00 0.00 173.10 175.85 1kfg s LYS 243 N -3.15 2.06 -0.12 2.90 1.02 -1.26 -1.32 119.74 119.87 1kfg s LYS 243 Ca 0.77 -2.15 -0.29 0.00 0.02 0.00 0.00 55.97 54.31 1kfg s LYS 243 Cb -0.37 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1kfg s LYS 243 CO 0.42 -0.15 1.11 -1.21 -0.92 0.00 0.00 175.35 174.60 1kfg s GLU 244 N -3.79 4.34 0.03 1.68 0.41 0.11 -4.42 118.70 117.06 1kfg s GLU 244 Ca 0.29 1.52 -0.06 0.00 -0.41 0.00 0.00 54.97 56.30 1kfg s GLU 244 Cb 0.07 -3.60 -0.01 0.00 -1.78 0.00 0.00 34.13 28.80 1kfg s GLU 244 CO 0.15 -0.48 0.40 0.00 -0.49 0.00 0.00 175.26 174.85 1kfg n GLN 245 N 5.56 -0.09 -0.34 1.61 10.64 -1.26 -0.83 117.38 132.67 1kfg n GLN 245 Ca 0.11 0.40 0.04 0.00 -1.83 0.00 0.00 57.00 55.72 1kfg n GLN 245 Cb 0.47 -0.59 0.18 0.00 -0.86 0.00 0.00 30.24 29.44 1kfg n GLN 245 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kfg n GLN 246 N -3.77 2.48 -1.05 2.61 0.00 -1.26 -4.91 117.38 111.48 1kfg n GLN 246 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 57.00 55.56 1kfg n GLN 246 Cb 0.05 -1.64 0.00 0.00 0.00 0.00 0.00 30.24 28.66 1kfg n GLN 246 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1kfg n THR 247 N 0.41 0.00 -1.82 -0.39 -2.24 -0.01 -5.05 114.28 105.18 1kfg n THR 247 Ca 0.13 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 1kfg n THR 247 Cb 0.55 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.92 1kfg n THR 247 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kfg n ASP 248 N -1.57 1.49 -4.87 3.42 5.68 -1.26 -4.61 116.55 114.81 1kfg n ASP 248 Ca 0.00 -3.18 -0.35 0.00 -0.50 0.00 0.00 54.79 50.76 1kfg n ASP 248 Cb 0.00 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.49 1kfg n ASP 248 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1kfg s ILE 249 N -2.11 5.21 0.24 2.12 1.01 -1.26 -4.94 121.20 121.47 1kfg s ILE 249 Ca 0.34 0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.99 1kfg s ILE 249 Cb 0.35 -3.60 -0.13 0.00 0.01 0.00 0.00 42.46 39.09 1kfg s ILE 249 CO -0.08 0.35 1.56 -0.38 0.00 0.00 0.00 174.94 176.39 1kfg n ILE 250 N 1.10 0.65 -1.53 2.92 5.41 -1.26 0.04 119.36 126.68 1kfg n ILE 250 Ca -0.10 -0.16 -0.45 0.00 1.00 0.00 0.00 62.75 63.03 1kfg n ILE 250 Cb 0.53 -1.75 -0.02 0.00 -0.71 0.00 0.00 39.64 37.69 1kfg n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kfg n ALA 251 N 2.60 -0.97 -1.28 -1.39 0.00 -0.44 -4.48 120.51 114.55 1kfg n ALA 251 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1kfg n ALA 251 Cb 0.33 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1kfg n ALA 251 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kfg n TYR 252 N 0.08 0.00 -0.22 0.00 4.11 -1.26 -4.91 117.16 114.96 1kfg n TYR 252 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.08 1kfg n TYR 252 Cb 0.31 0.02 0.28 0.00 -0.00 0.00 0.00 39.34 39.95 1kfg n TYR 252 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1kfg n LYS 253 N 0.00 3.44 0.00 -3.48 5.02 -1.26 -4.34 118.16 117.54 1kfg n LYS 253 Ca 0.00 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 1kfg n LYS 253 Cb 0.29 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1kfg n LYS 253 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1kfg n TRP 254 N 0.65 0.00 -3.68 2.13 -0.00 -1.26 -5.06 117.44 110.22 1kfg n TRP 254 Ca 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.61 1kfg n TRP 254 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 32.10 1kfg n TRP 254 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1kfg s GLY 255 N 0.00 -0.28 0.12 5.87 0.00 -1.26 -5.03 107.32 106.73 1kfg s GLY 255 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 44.72 44.38 1kfg s GLY 255 CO 0.00 -0.03 1.62 -0.18 0.00 0.00 0.00 173.10 174.51 1kfg n GLN 256 N -0.41 2.12 -3.83 2.90 -0.06 -1.26 -4.78 117.38 112.06 1kfg n GLN 256 Ca -0.10 0.77 -0.07 0.00 -2.00 0.00 0.00 57.00 55.60 1kfg n GLN 256 Cb 0.62 -2.54 0.00 0.00 -4.06 0.00 0.00 30.24 24.26 1kfg n GLN 256 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1kfg h TRP 258 N 2.00 0.01 0.00 0.00 5.08 -1.94 -1.76 115.95 119.34 1kfg h TRP 258 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 1kfg h TRP 258 Cb 1.24 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1kfg h TRP 258 CO 0.86 0.00 -1.31 -3.47 -1.28 0.00 0.00 178.44 173.24 1kfg n ASP 259 N -4.35 0.51 -3.54 0.11 2.03 -1.26 -4.80 116.55 105.24 1kfg n ASP 259 Ca 0.12 -0.06 -0.28 0.00 0.52 0.00 0.00 54.79 55.09 1kfg n ASP 259 Cb 0.70 1.08 -0.15 0.00 -0.72 0.00 0.00 41.12 42.03 1kfg n ASP 259 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1kfg s ASP 260 N -4.39 3.32 -0.09 1.67 3.68 -0.66 -4.53 116.67 115.68 1kfg s ASP 260 Ca -0.01 -1.18 0.15 0.00 2.13 0.00 0.00 52.55 53.64 1kfg s ASP 260 Cb 0.13 -0.31 0.51 0.00 -1.45 0.00 0.00 42.92 41.80 1kfg s ASP 260 CO 0.83 -0.43 1.42 1.33 0.13 0.00 0.00 175.17 178.46 1kfg n VAL 261 N 5.26 1.63 0.28 1.11 0.24 -1.25 -1.54 118.33 124.05 1kfg n VAL 261 Ca -0.06 -1.32 0.17 0.00 -2.04 0.00 0.00 64.34 61.09 1kfg n VAL 261 Cb 0.43 0.17 0.70 0.00 -1.47 0.00 0.00 33.84 33.66 1kfg n VAL 261 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1kfg h HIS 262 N 2.64 0.00 -0.22 6.34 2.07 -1.94 -1.60 115.15 122.44 1kfg h HIS 262 Ca 0.00 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.45 1kfg h HIS 262 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 1kfg h HIS 262 CO 0.48 0.02 -0.12 1.88 -3.07 0.00 0.00 177.93 177.12 1kfg h TYR 263 N 0.00 0.54 -0.41 6.12 -1.99 -1.93 0.29 116.97 119.59 1kfg h TYR 263 Ca -0.00 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.50 1kfg h TYR 263 Cb 0.50 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1kfg h TYR 263 CO 0.00 0.76 -0.12 0.78 -0.00 0.00 0.00 178.16 179.58 1kfg h GLY 264 N 0.17 0.86 0.99 3.88 0.00 -1.82 -2.02 103.07 105.14 1kfg h GLY 264 Ca 0.05 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.66 1kfg h GLY 264 CO 0.04 0.66 0.29 0.00 0.00 0.00 0.00 176.54 177.53 1kfg h ALA 265 N 0.84 0.56 0.00 3.60 0.00 -1.19 -1.78 119.26 121.29 1kfg h ALA 265 Ca 0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1kfg h ALA 265 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1kfg h ALA 265 CO 0.04 0.00 -0.51 1.05 0.00 0.00 0.00 179.25 179.84 1kfg h GLU 266 N 0.59 0.00 -0.11 0.00 4.11 -0.91 0.64 114.58 118.90 1kfg h GLU 266 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.58 1kfg h GLU 266 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1kfg h GLU 266 CO -0.04 0.51 0.00 1.25 0.07 0.00 0.00 179.01 180.80 1kfg h LEU 267 N 0.00 0.19 -0.73 3.06 6.46 -1.04 -1.17 115.31 122.08 1kfg h LEU 267 Ca -0.01 -0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.35 1kfg h LEU 267 Cb 0.90 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1kfg h LEU 267 CO 0.07 0.45 -0.15 -0.07 -0.62 0.00 0.00 178.44 178.11 1kfg h LEU 268 N -0.07 0.81 -1.37 2.25 3.38 -1.14 -2.55 115.31 116.63 1kfg h LEU 268 Ca 0.03 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1kfg h LEU 268 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1kfg h LEU 268 CO 0.01 0.97 -0.09 -0.07 0.09 0.00 0.00 178.44 179.35 1kfg h LEU 269 N 0.72 0.30 -0.40 1.67 3.38 -0.74 0.24 115.31 120.48 1kfg h LEU 269 Ca 0.11 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1kfg h LEU 269 Cb 0.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1kfg h LEU 269 CO 0.05 0.42 -0.06 0.00 0.09 0.00 0.00 178.44 178.94 1kfg h ALA 270 N 1.61 0.55 -0.11 1.53 0.00 -0.89 -0.23 119.26 121.71 1kfg h ALA 270 Ca 0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1kfg h ALA 270 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1kfg h ALA 270 CO 0.02 0.39 -0.43 0.87 0.00 0.00 0.00 179.25 180.10 1kfg h LYS 271 N 0.57 0.26 0.00 0.00 1.57 -1.02 0.12 116.57 118.06 1kfg h LYS 271 Ca 0.11 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1kfg h LYS 271 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1kfg h LYS 271 CO 0.03 0.65 -1.00 -0.07 -0.57 0.00 0.00 179.45 178.49 1kfg h LEU 272 N 0.22 0.00 0.00 2.94 3.38 -0.85 -3.39 115.31 117.60 1kfg h LEU 272 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kfg h LEU 272 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1kfg h LEU 272 CO 0.07 0.58 -1.13 0.35 0.09 0.00 0.00 178.44 178.39 1kfg n THR 273 N -3.06 0.00 -1.26 0.22 -2.24 -0.11 -5.00 114.28 102.82 1kfg n THR 273 Ca -0.04 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1kfg n THR 273 Cb 0.80 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 1kfg n THR 273 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1kfg n ASN 274 N -1.60 -4.80 -4.73 3.42 3.02 0.40 -4.96 115.26 106.00 1kfg n ASN 274 Ca -0.01 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1kfg n ASN 274 Cb 0.08 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.11 1kfg n ASN 274 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1kfg s LYS 275 N -2.53 4.58 0.26 3.52 1.02 -1.26 -4.95 119.74 120.38 1kfg s LYS 275 Ca 0.00 1.69 -0.02 0.00 0.02 0.00 0.00 55.97 57.67 1kfg s LYS 275 Cb 0.00 -3.30 0.48 0.00 -0.52 0.00 0.00 37.83 34.48 1kfg s LYS 275 CO 0.00 0.03 1.82 0.37 -0.92 0.00 0.00 175.35 176.65 1kfg h GLN 276 N 5.44 0.84 -0.65 1.68 5.75 -1.96 -2.46 115.11 123.76 1kfg h GLN 276 Ca -0.44 -0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.14 1kfg h GLN 276 Cb 1.21 -0.19 -0.09 0.00 1.07 0.00 0.00 27.48 29.48 1kfg h GLN 276 CO 0.74 0.56 0.16 1.25 -2.65 0.00 0.00 178.83 178.88 1kfg h LEU 277 N 0.87 0.04 -0.14 -2.39 5.85 -1.99 0.32 115.31 117.86 1kfg h LEU 277 Ca 0.45 0.12 -0.23 0.00 0.84 0.00 0.00 57.88 59.05 1kfg h LEU 277 Cb 0.44 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1kfg h LEU 277 CO -0.26 0.01 -0.96 1.88 -0.34 0.00 0.00 178.44 178.77 1kfg h TYR 278 N 0.28 0.68 -0.25 1.25 0.05 -1.77 -1.24 116.97 115.97 1kfg h TYR 278 Ca 0.35 -0.37 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1kfg h TYR 278 Cb 0.53 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 1kfg h TYR 278 CO -0.24 1.20 0.13 0.87 -1.05 0.00 0.00 178.16 179.07 1kfg h LYS 279 N 0.26 0.36 -0.51 4.88 1.57 -1.06 -0.94 116.57 121.12 1kfg h LYS 279 Ca -0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1kfg h LYS 279 Cb 1.60 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 1kfg h LYS 279 CO 0.17 0.33 0.30 -0.44 -0.57 0.00 0.00 179.45 179.24 1kfg h ASP 280 N 0.29 0.63 0.27 0.86 3.32 -0.34 -2.03 116.42 119.42 1kfg h ASP 280 Ca 0.09 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1kfg h ASP 280 Cb 0.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1kfg h ASP 280 CO -0.01 0.52 -0.13 0.28 -1.72 0.00 0.00 179.24 178.17 1kfg h SER 281 N 0.69 -0.30 -0.50 6.45 0.02 -0.91 -0.30 113.55 118.69 1kfg h SER 281 Ca 0.18 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1kfg h SER 281 Cb 0.01 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1kfg h SER 281 CO -0.03 -0.13 0.06 -0.29 -1.14 0.00 0.00 176.83 175.30 1kfg h ILE 282 N -0.47 1.25 -0.09 3.27 6.09 -1.20 -2.27 117.51 124.09 1kfg h ILE 282 Ca -0.04 -0.99 -0.08 0.00 -1.37 0.00 0.00 64.86 62.39 1kfg h ILE 282 Cb 0.35 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 38.39 1kfg h ILE 282 CO 0.06 0.36 -0.31 -0.33 -3.07 0.00 0.00 178.15 174.86 1kfg h GLU 283 N 0.85 0.16 -0.57 2.19 5.08 -1.30 0.39 114.58 121.38 1kfg h GLU 283 Ca 0.17 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1kfg h GLU 283 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1kfg h GLU 283 CO 0.01 0.46 0.14 1.98 -1.00 0.00 0.00 179.01 180.60 1kfg h MET 284 N 0.14 0.91 -0.07 2.33 4.05 -0.56 0.35 114.93 122.09 1kfg h MET 284 Ca 0.02 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.21 1kfg h MET 284 Cb 0.63 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1kfg h MET 284 CO 0.05 0.85 -0.00 -0.97 0.23 0.00 0.00 176.91 177.07 1kfg h ASN 285 N 0.82 0.12 -0.36 1.39 -0.00 -0.88 -1.26 115.58 115.40 1kfg h ASN 285 Ca 0.18 -0.31 -0.09 0.00 -0.00 0.00 0.00 56.30 56.08 1kfg h ASN 285 Cb 0.35 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.62 1kfg h ASN 285 CO 0.00 0.40 -0.07 -0.07 -0.00 0.00 0.00 177.43 177.69 1kfg h LEU 286 N -0.17 0.76 -0.63 0.34 3.38 -0.80 -2.31 115.31 115.88 1kfg h LEU 286 Ca 0.02 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1kfg h LEU 286 Cb 0.34 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1kfg h LEU 286 CO 0.00 0.87 0.13 0.44 0.09 0.00 0.00 178.44 179.97 1kfg h ASP 287 N 0.72 0.98 -0.24 -0.43 3.45 -0.28 -1.76 116.42 118.86 1kfg h ASP 287 Ca 0.13 -0.25 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 1kfg h ASP 287 Cb 0.54 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 1kfg h ASP 287 CO 0.03 0.97 0.15 0.15 -1.57 0.00 0.00 179.24 178.97 1kfg h PHE 288 N 0.94 0.33 0.00 4.55 3.04 -0.81 0.89 116.94 125.89 1kfg h PHE 288 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 1kfg h PHE 288 Cb 0.40 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1kfg h PHE 288 CO 0.03 0.23 -0.22 0.91 -2.02 0.00 0.00 178.31 177.24 1kfg n TRP 289 N -4.47 0.04 0.00 0.41 7.02 -0.87 -1.54 117.44 118.03 1kfg n TRP 289 Ca 0.01 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1kfg n TRP 289 Cb 0.09 -0.42 0.00 0.00 -2.42 0.00 0.00 31.31 28.56 1kfg n TRP 289 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1kfg n THR 290 N -1.54 0.00 0.53 -0.99 -2.24 -0.60 -4.87 114.28 104.58 1kfg n THR 290 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1kfg n THR 290 Cb 0.34 -0.23 0.21 0.00 -2.10 0.00 0.00 70.33 68.56 1kfg n THR 290 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1kfg h THR 291 N 0.00 0.00 0.00 4.28 1.35 -1.67 -3.48 112.91 113.38 1kfg h THR 291 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1kfg h THR 291 Cb 0.00 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1kfg h THR 291 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1kfg n GLY 292 N 1.30 1.14 3.31 5.82 0.00 0.30 -4.98 105.19 112.09 1kfg n GLY 292 Ca 0.04 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1kfg n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kfg s VAL 293 N -2.99 -0.00 -1.42 1.61 -7.23 0.12 -4.54 120.40 105.94 1kfg s VAL 293 Ca 0.00 0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1kfg s VAL 293 Cb 0.00 -0.60 0.04 0.00 0.56 0.00 0.00 36.38 36.38 1kfg s VAL 293 CO 0.00 0.01 0.83 0.59 -0.31 0.00 0.00 175.10 176.22 1kfg n ASN 294 N 3.13 -2.91 -1.71 4.85 5.03 -1.26 -1.60 115.26 120.80 1kfg n ASN 294 Ca -0.15 -0.80 -0.16 0.00 0.87 0.00 0.00 54.58 54.34 1kfg n ASN 294 Cb 0.57 -3.95 -0.02 0.00 -1.02 0.00 0.00 39.78 35.36 1kfg n ASN 294 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kfg n GLY 295 N -1.65 0.01 2.93 7.41 0.00 -1.26 -5.01 105.19 107.61 1kfg n GLY 295 Ca -0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1kfg n GLY 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfg s THR 296 N -2.76 -0.00 0.02 2.61 -4.23 -0.63 -5.16 115.64 105.49 1kfg s THR 296 Ca 0.00 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 1kfg s THR 296 Cb 0.00 -0.10 0.02 0.00 1.34 0.00 0.00 72.50 73.76 1kfg s THR 296 CO 0.00 0.01 0.32 -0.60 -0.54 0.00 0.00 174.62 173.81 1kfg s ARG 297 N 0.13 0.76 0.52 3.99 3.52 -1.26 0.10 118.95 126.71 1kfg s ARG 297 Ca -0.01 -0.35 -0.21 0.00 -0.13 0.00 0.00 55.73 55.03 1kfg s ARG 297 Cb -0.01 0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 33.65 1kfg s ARG 297 CO -0.00 -0.23 1.17 0.54 -0.81 0.00 0.00 175.30 175.97 1kfg s VAL 298 N -2.00 2.99 0.58 7.11 0.11 -0.59 -4.97 120.40 123.63 1kfg s VAL 298 Ca -0.09 0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 1kfg s VAL 298 Cb -0.03 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1kfg s VAL 298 CO 0.00 -0.08 1.16 -0.44 -3.33 0.00 0.00 175.10 172.41 1kfg s SER 299 N -1.54 5.39 -0.03 3.54 0.01 -1.25 -4.87 113.70 114.96 1kfg s SER 299 Ca 0.70 2.24 0.04 0.00 1.31 0.00 0.00 55.95 60.24 1kfg s SER 299 Cb -0.28 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.36 1kfg s SER 299 CO 0.32 -1.44 -0.15 -0.31 0.41 0.00 0.00 173.24 172.06 1kfg s TYR 300 N -1.79 1.49 0.68 2.43 1.51 -1.26 -0.61 117.35 119.82 1kfg s TYR 300 Ca 0.74 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 56.32 1kfg s TYR 300 Cb -0.26 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1kfg s TYR 300 CO 0.32 -0.10 1.06 0.95 -1.11 0.00 0.00 175.55 176.66 1kfg s THR 301 N -0.09 4.12 0.43 -0.71 -4.23 -0.28 -4.91 115.64 109.97 1kfg s THR 301 Ca -0.00 0.69 0.17 0.00 -1.18 0.00 0.00 61.69 61.37 1kfg s THR 301 Cb -0.09 -3.48 0.37 0.00 1.34 0.00 0.00 72.50 70.64 1kfg s THR 301 CO 0.01 -0.90 1.88 -0.65 -0.54 0.00 0.00 174.62 174.42 1kfg h PRO 302 N -0.65 0.38 -0.25 3.99 0.11 -1.88 -0.58 132.00 133.12 1kfg h PRO 302 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kfg h PRO 302 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1kfg h PRO 302 CO 0.58 0.25 0.00 1.63 -0.21 0.00 0.00 178.00 180.25 1kfg n LYS 303 N -4.49 1.66 0.00 1.05 5.02 -1.26 -4.93 118.16 115.21 1kfg n LYS 303 Ca 0.17 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 1kfg n LYS 303 Cb 0.64 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1kfg n LYS 303 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kfg n GLY 304 N 1.00 1.03 3.67 0.72 0.00 -0.23 -4.95 105.19 106.43 1kfg n GLY 304 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1kfg n GLY 304 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfg s LEU 305 N 0.00 4.16 -0.38 0.99 2.96 -1.26 -4.80 118.68 120.36 1kfg s LEU 305 Ca 0.00 0.92 -0.28 0.00 -0.22 0.00 0.00 54.13 54.54 1kfg s LEU 305 Cb 0.00 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 1kfg s LEU 305 CO 0.00 -0.28 1.68 0.00 -1.32 0.00 0.00 176.35 176.43 1kfg s ALA 306 N 1.85 2.87 -0.45 5.97 0.00 -1.26 -1.12 121.76 129.61 1kfg s ALA 306 Ca 0.31 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 1kfg s ALA 306 Cb -0.16 -4.02 0.08 0.00 0.00 0.00 0.00 23.12 19.02 1kfg s ALA 306 CO 0.11 -2.66 0.34 -0.46 0.00 0.00 0.00 175.76 173.09 1kfg s TRP 307 N 6.60 3.29 -0.04 0.00 -0.00 0.22 -4.45 118.94 124.57 1kfg s TRP 307 Ca 0.73 -1.22 -0.24 0.00 -0.00 0.00 0.00 56.10 55.37 1kfg s TRP 307 Cb -0.19 -3.11 -0.23 0.00 -0.00 0.00 0.00 33.47 29.95 1kfg s TRP 307 CO 0.32 -0.83 1.07 1.25 -0.00 0.00 0.00 176.95 178.76 1kfg h LEU 308 N 8.60 0.26 -7.82 5.86 5.85 -1.85 -3.31 115.31 122.89 1kfg h LEU 308 Ca -0.26 -0.74 0.32 0.00 0.84 0.00 0.00 57.88 58.04 1kfg h LEU 308 Cb 1.10 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 1kfg h LEU 308 CO 0.83 0.97 0.86 0.72 -0.34 0.00 0.00 178.44 181.48 1kfg s PHE 309 N -3.26 0.02 0.25 1.25 -0.00 -1.26 -4.94 117.98 110.04 1kfg s PHE 309 Ca -0.15 -0.16 -0.03 0.00 -0.00 0.00 0.00 56.93 56.58 1kfg s PHE 309 Cb 0.01 0.57 0.52 0.00 -0.00 0.00 0.00 43.02 44.12 1kfg s PHE 309 CO 0.75 -0.33 1.68 0.37 -0.00 0.00 0.00 175.22 177.69 1kfg h GLN 310 N 2.00 0.27 -5.73 1.99 4.15 -1.95 -3.35 115.11 112.50 1kfg h GLN 310 Ca -0.24 -0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.57 1kfg h GLN 310 Cb 1.19 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.73 1kfg h GLN 310 CO 0.31 0.18 0.34 -1.58 -1.93 0.00 0.00 178.83 176.15 1kfg s TRP 311 N -6.02 3.33 -1.23 3.99 0.23 -1.26 -4.29 118.94 113.69 1kfg s TRP 311 Ca -0.13 1.05 -0.05 0.00 -2.03 0.00 0.00 56.10 54.94 1kfg s TRP 311 Cb 0.22 -2.96 -0.01 0.00 0.03 0.00 0.00 33.47 30.75 1kfg s TRP 311 CO 0.76 -0.33 0.76 0.41 0.96 0.00 0.00 176.95 179.52 1kfg n GLY 312 N 3.82 -0.58 0.37 0.98 0.00 -1.26 -4.87 105.19 103.64 1kfg n GLY 312 Ca 0.03 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 1kfg n GLY 312 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfg h SER 313 N -1.75 1.11 -0.44 1.61 4.64 -1.52 -1.86 113.55 115.35 1kfg h SER 313 Ca -0.62 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.55 1kfg h SER 313 Cb 1.35 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1kfg h SER 313 CO 0.52 0.82 -0.12 -0.07 -0.87 0.00 0.00 176.83 177.12 1kfg h LEU 314 N 1.31 0.91 -0.24 5.97 3.38 -1.43 -1.29 115.31 123.91 1kfg h LEU 314 Ca 0.35 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1kfg h LEU 314 Cb -0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 1kfg h LEU 314 CO -0.07 1.03 -0.04 -0.09 0.09 0.00 0.00 178.44 179.36 1kfg h ARG 315 N 0.81 0.03 -0.32 1.13 1.12 -1.59 0.02 114.38 115.57 1kfg h ARG 315 Ca 0.13 -0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.93 1kfg h ARG 315 Cb 0.65 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 1kfg h ARG 315 CO 0.04 0.02 -0.07 0.45 -3.11 0.00 0.00 179.97 177.30 1kfg h HIS 316 N 0.03 0.69 -0.29 2.20 3.86 -1.16 -2.13 115.15 118.36 1kfg h HIS 316 Ca 0.11 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1kfg h HIS 316 Cb 0.16 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1kfg h HIS 316 CO -0.22 0.79 0.08 0.00 0.86 0.00 0.00 177.93 179.44 1kfg h ALA 317 N 0.81 0.38 0.00 2.45 0.00 -1.04 -1.83 119.26 120.03 1kfg h ALA 317 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1kfg h ALA 317 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kfg h ALA 317 CO 0.03 0.03 -0.36 1.79 0.00 0.00 0.00 179.25 180.74 1kfg h THR 318 N 0.31 0.98 -0.17 0.00 1.35 -1.03 -0.86 112.91 113.48 1kfg h THR 318 Ca 0.09 -1.37 -0.15 0.00 -0.55 0.00 0.00 66.41 64.44 1kfg h THR 318 Cb 0.26 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1kfg h THR 318 CO -0.00 0.35 -0.48 0.74 -0.25 0.00 0.00 175.52 175.88 1kfg h THR 319 N 0.00 1.33 -0.16 6.82 2.02 -1.22 -2.53 112.91 119.18 1kfg h THR 319 Ca -0.00 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.39 1kfg h THR 319 Cb 0.77 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1kfg h THR 319 CO 0.05 0.53 -0.18 1.56 0.37 0.00 0.00 175.52 177.85 1kfg h GLN 320 N 0.30 0.26 -0.88 6.66 1.08 -1.13 -2.00 115.11 119.41 1kfg h GLN 320 Ca -0.01 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1kfg h GLN 320 Cb 1.09 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 1kfg h GLN 320 CO 0.10 0.44 0.56 0.00 -0.95 0.00 0.00 178.83 178.98 1kfg h ALA 321 N 1.58 1.12 0.12 3.87 0.00 -0.99 0.01 119.26 124.96 1kfg h ALA 321 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kfg h ALA 321 Cb 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1kfg h ALA 321 CO 0.03 0.55 -0.06 0.35 0.00 0.00 0.00 179.25 180.13 1kfg h PHE 322 N 1.20 -0.15 -0.90 0.00 3.57 -0.94 -0.56 116.94 119.16 1kfg h PHE 322 Ca 0.32 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1kfg h PHE 322 Cb -0.09 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1kfg h PHE 322 CO -0.00 0.02 0.60 -0.07 -2.23 0.00 0.00 178.31 176.62 1kfg h LEU 323 N -0.29 1.02 -0.71 0.59 4.07 -1.13 -1.10 115.31 117.76 1kfg h LEU 323 Ca -0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1kfg h LEU 323 Cb 0.23 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1kfg h LEU 323 CO 0.03 0.73 0.46 0.00 -1.08 0.00 0.00 178.44 178.58 1kfg h ALA 324 N 1.34 0.90 -0.37 1.53 0.00 -0.84 -0.23 119.26 121.59 1kfg h ALA 324 Ca 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1kfg h ALA 324 Cb -0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1kfg h ALA 324 CO -0.08 0.34 0.11 0.78 0.00 0.00 0.00 179.25 180.40 1kfg h GLY 325 N 0.96 0.62 0.86 0.00 0.00 -0.32 -0.45 103.07 104.74 1kfg h GLY 325 Ca 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1kfg h GLY 325 CO -0.05 0.34 0.03 -2.08 0.00 0.00 0.00 176.54 174.78 1kfg h VAL 326 N 0.44 1.14 -0.63 4.60 2.07 -1.02 -3.08 116.25 119.78 1kfg h VAL 326 Ca 0.12 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1kfg h VAL 326 Cb 0.26 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1kfg h VAL 326 CO -0.00 0.12 0.16 0.22 0.02 0.00 0.00 177.57 178.09 1kfg h TYR 327 N -0.05 1.01 -0.07 1.57 5.03 -0.96 -2.79 116.97 120.70 1kfg h TYR 327 Ca 0.02 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.23 1kfg h TYR 327 Cb 0.17 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 1kfg h TYR 327 CO -0.02 0.83 0.02 0.00 -1.32 0.00 0.00 178.16 177.67 1kfg h ALA 328 N 1.24 1.90 0.00 1.82 0.00 -1.04 -1.64 119.26 121.54 1kfg h ALA 328 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kfg h ALA 328 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1kfg h ALA 328 CO -0.00 0.08 -0.06 0.39 0.00 0.00 0.00 179.25 179.66 1kfg n GLU 329 N -4.50 0.16 -2.55 0.00 1.02 -1.05 -4.84 120.64 108.87 1kfg n GLU 329 Ca -0.02 0.12 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 1kfg n GLU 329 Cb 0.11 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1kfg n GLU 329 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1kfg s TRP 330 N -3.07 3.62 0.58 -0.32 -0.00 -0.62 -4.93 118.94 114.21 1kfg s TRP 330 Ca 0.12 1.60 0.28 0.00 -0.00 0.00 0.00 56.10 58.09 1kfg s TRP 330 Cb 0.15 -3.24 1.65 0.00 -0.00 0.00 0.00 33.47 32.02 1kfg s TRP 330 CO 0.59 -0.51 2.14 1.05 -0.00 0.00 0.00 176.95 180.21 1kfg h GLU 331 N 5.54 0.00 0.00 5.86 4.11 -1.88 -1.98 114.58 126.22 1kfg h GLU 331 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1kfg h GLU 331 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1kfg h GLU 331 CO 0.74 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.23 1kfg n GLY 332 N -1.41 -1.46 3.77 1.06 0.00 -1.26 -4.86 105.19 101.03 1kfg n GLY 332 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1kfg n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfg n THR 334 N 1.04 0.42 -0.32 0.00 -1.04 -1.26 -4.82 114.28 108.31 1kfg n THR 334 Ca 0.02 -0.17 0.15 0.00 -2.04 0.00 0.00 64.05 62.01 1kfg n THR 334 Cb 0.41 -1.78 0.32 0.00 -1.82 0.00 0.00 70.33 67.45 1kfg n THR 334 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1kfg h PRO 335 N 10.26 0.08 0.00 -2.82 0.11 -1.91 0.74 132.00 138.46 1kfg h PRO 335 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1kfg h PRO 335 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1kfg h PRO 335 CO 0.97 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 1kfg n SER 336 N -5.36 0.00 -0.00 -2.05 3.41 -1.26 -2.78 113.62 105.58 1kfg n SER 336 Ca 0.24 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 1kfg n SER 336 Cb 0.77 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 1kfg n SER 336 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1kfg n LYS 337 N -1.45 1.81 -0.07 4.33 5.02 0.25 -4.63 118.16 123.42 1kfg n LYS 337 Ca 0.04 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1kfg n LYS 337 Cb 0.14 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1kfg n LYS 337 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1kfg h VAL 338 N 0.00 0.59 -0.36 -0.18 2.07 -1.48 -0.45 116.25 116.45 1kfg h VAL 338 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1kfg h VAL 338 Cb 0.39 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1kfg h VAL 338 CO 0.00 0.00 -0.10 0.28 0.02 0.00 0.00 177.57 177.77 1kfg h SER 339 N -0.09 0.59 -0.48 0.57 0.02 -1.82 -0.52 113.55 111.83 1kfg h SER 339 Ca 0.14 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1kfg h SER 339 Cb 0.31 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1kfg h SER 339 CO -0.33 0.73 0.16 0.58 -1.14 0.00 0.00 176.83 176.82 1kfg h VAL 340 N 0.56 1.22 -0.38 2.27 2.07 -1.68 -0.73 116.25 119.59 1kfg h VAL 340 Ca 0.10 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 1kfg h VAL 340 Cb 0.50 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1kfg h VAL 340 CO 0.03 0.27 -0.05 1.88 0.02 0.00 0.00 177.57 179.72 1kfg h TYR 341 N 0.64 0.78 -0.24 1.57 0.05 -0.76 -1.97 116.97 117.04 1kfg h TYR 341 Ca 0.16 -0.15 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1kfg h TYR 341 Cb 0.26 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1kfg h TYR 341 CO 0.01 0.82 -0.24 0.87 -1.05 0.00 0.00 178.16 178.58 1kfg h LYS 342 N 0.51 0.46 -0.29 4.88 1.57 -1.01 -1.54 116.57 121.14 1kfg h LYS 342 Ca 0.10 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1kfg h LYS 342 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1kfg h LYS 342 CO 0.03 0.67 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.84 1kfg h ASP 343 N 0.41 0.61 -0.37 0.86 3.45 -1.04 -2.46 116.42 117.87 1kfg h ASP 343 Ca 0.06 -0.23 -0.04 0.00 0.43 0.00 0.00 57.03 57.26 1kfg h ASP 343 Cb 0.64 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 1kfg h ASP 343 CO 0.05 0.87 0.09 0.15 -1.57 0.00 0.00 179.24 178.83 1kfg h PHE 344 N 0.51 0.62 -0.27 4.55 3.57 -0.93 0.73 116.94 125.73 1kfg h PHE 344 Ca 0.06 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1kfg h PHE 344 Cb 0.76 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1kfg h PHE 344 CO 0.03 0.61 -0.06 1.25 -2.23 0.00 0.00 178.31 177.91 1kfg h LEU 345 N 0.45 -0.24 -0.20 0.59 5.85 -1.11 -1.16 115.31 119.49 1kfg h LEU 345 Ca 0.12 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1kfg h LEU 345 Cb 0.30 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1kfg h LEU 345 CO 0.00 -0.08 -0.11 0.50 -0.34 0.00 0.00 178.44 178.41 1kfg h LYS 346 N 0.01 0.43 -0.37 1.25 3.64 -1.27 -2.34 116.57 117.91 1kfg h LYS 346 Ca 0.13 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1kfg h LYS 346 Cb 0.19 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1kfg h LYS 346 CO -0.27 0.73 0.10 0.77 -2.27 0.00 0.00 179.45 178.50 1kfg h SER 347 N 0.13 0.07 -0.35 4.20 0.02 -0.64 0.20 113.55 117.19 1kfg h SER 347 Ca 0.04 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1kfg h SER 347 Cb 0.60 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1kfg h SER 347 CO 0.03 0.08 -0.25 1.56 -1.14 0.00 0.00 176.83 177.10 1kfg h GLN 348 N 0.24 0.78 -0.64 3.45 1.08 -1.26 -1.70 115.11 117.06 1kfg h GLN 348 Ca 0.17 -0.38 -0.06 0.00 -1.45 0.00 0.00 58.65 56.93 1kfg h GLN 348 Cb 0.17 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1kfg h GLN 348 CO -0.20 1.01 0.16 0.82 -0.95 0.00 0.00 178.83 179.66 1kfg h ILE 349 N 0.56 1.26 -0.24 2.54 1.08 -1.16 -2.45 117.51 119.11 1kfg h ILE 349 Ca 0.07 -0.93 -0.05 0.00 -0.39 0.00 0.00 64.86 63.55 1kfg h ILE 349 Cb 0.82 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1kfg h ILE 349 CO 0.07 0.35 -0.09 0.44 -0.69 0.00 0.00 178.15 178.23 1kfg h ASP 350 N 0.95 0.36 -0.35 1.72 5.19 -0.54 -1.02 116.42 122.73 1kfg h ASP 350 Ca 0.20 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1kfg h ASP 350 Cb 0.36 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1kfg h ASP 350 CO 0.00 0.49 0.16 0.22 -3.12 0.00 0.00 179.24 176.99 1kfg h TYR 351 N 0.36 0.51 -0.72 4.55 5.03 -0.88 0.15 116.97 125.96 1kfg h TYR 351 Ca 0.07 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1kfg h TYR 351 Cb 0.38 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 1kfg h TYR 351 CO 0.01 0.45 0.26 0.00 -1.32 0.00 0.00 178.16 177.56 1kfg h ALA 352 N 1.01 1.10 0.00 1.82 0.00 -1.00 -3.23 119.26 118.96 1kfg h ALA 352 Ca 0.12 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1kfg h ALA 352 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1kfg h ALA 352 CO -0.01 0.63 -0.86 -0.07 0.00 0.00 0.00 179.25 178.94 1kfg h LEU 353 N 1.06 0.00 0.00 0.00 3.38 -0.88 -0.60 115.31 118.27 1kfg h LEU 353 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1kfg h LEU 353 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1kfg h LEU 353 CO -0.02 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1kfg n GLY 354 N 1.31 -0.05 0.29 0.83 0.00 0.24 -4.02 105.19 103.80 1kfg n GLY 354 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1kfg n GLY 354 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfg h SER 355 N 0.00 0.00 0.23 1.61 4.64 -0.98 -0.66 113.55 118.38 1kfg h SER 355 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kfg h SER 355 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kfg h SER 355 CO 0.00 0.04 -0.13 0.35 -0.87 0.00 0.00 176.83 176.22 1kfg n THR 356 N -3.61 0.00 0.00 2.95 -2.24 -1.26 -4.88 114.28 105.23 1kfg n THR 356 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1kfg n THR 356 Cb 0.14 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1kfg n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfg n GLY 357 N 1.26 0.90 3.36 3.38 0.00 -0.26 -5.08 105.19 108.76 1kfg n GLY 357 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1kfg n GLY 357 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kfg s ARG 358 N -0.34 0.94 0.23 1.61 1.04 -1.24 -4.83 118.95 116.36 1kfg s ARG 358 Ca 0.00 -0.18 -0.15 0.00 -1.04 0.00 0.00 55.73 54.36 1kfg s ARG 358 Cb 0.00 0.43 -0.08 0.00 -2.04 0.00 0.00 34.95 33.26 1kfg s ARG 358 CO 0.00 -0.31 0.65 0.45 -0.04 0.00 0.00 175.30 176.05 1kfg s SER 359 N -1.72 6.84 -0.09 -2.89 0.15 -0.06 -3.80 113.70 112.14 1kfg s SER 359 Ca -0.08 1.20 0.14 0.00 0.70 0.00 0.00 55.95 57.91 1kfg s SER 359 Cb -0.01 -2.34 0.47 0.00 -1.71 0.00 0.00 66.02 62.43 1kfg s SER 359 CO 0.01 -0.03 1.39 0.49 1.20 0.00 0.00 173.24 176.30 1kfg n PHE 360 N 0.30 0.83 -3.86 3.44 3.01 -0.23 -3.84 117.46 117.11 1kfg n PHE 360 Ca -0.01 -0.66 -0.36 0.00 1.01 0.00 0.00 57.45 57.44 1kfg n PHE 360 Cb 0.52 -0.17 -0.14 0.00 -0.01 0.00 0.00 39.48 39.68 1kfg n PHE 360 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1kfg s VAL 361 N -1.83 3.63 0.26 -4.37 1.01 -1.26 -2.13 120.40 115.71 1kfg s VAL 361 Ca 0.35 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 1kfg s VAL 361 Cb 0.24 -2.69 -0.13 0.00 0.00 0.00 0.00 36.38 33.81 1kfg s VAL 361 CO 0.15 0.37 1.46 0.52 0.00 0.00 0.00 175.10 177.60 1kfg n VAL 362 N 4.83 1.00 -1.64 2.92 0.31 -0.07 -2.21 118.33 123.47 1kfg n VAL 362 Ca -0.17 -0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1kfg n VAL 362 Cb 0.51 -1.63 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1kfg n VAL 362 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kfg n GLY 363 N 2.12 1.24 2.91 2.92 0.00 -1.26 -1.26 105.19 111.86 1kfg n GLY 363 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1kfg n GLY 363 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfg s TYR 364 N -2.64 0.17 0.00 1.61 5.04 -0.94 -4.82 117.35 115.77 1kfg s TYR 364 Ca 0.00 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1kfg s TYR 364 Cb 0.00 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1kfg s TYR 364 CO 0.00 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.59 1kfg n GLY 365 N 2.81 0.39 3.72 8.97 0.00 -1.26 -4.28 105.19 115.54 1kfg n GLY 365 Ca -0.14 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1kfg n GLY 365 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kfg s VAL 366 N 0.00 5.08 -1.40 1.61 -7.23 -1.26 -4.39 120.40 112.81 1kfg s VAL 366 Ca 0.00 1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 61.40 1kfg s VAL 366 Cb 0.00 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 33.00 1kfg s VAL 366 CO 0.00 0.30 0.40 -3.20 -0.31 0.00 0.00 175.10 172.29 1kfg n ASN 367 N 3.60 -0.44 -4.66 4.85 4.05 -1.26 -0.88 115.26 120.52 1kfg n ASN 367 Ca -0.04 -1.03 -0.30 0.00 0.45 0.00 0.00 54.58 53.66 1kfg n ASN 367 Cb 0.51 -2.95 0.17 0.00 1.23 0.00 0.00 39.78 38.74 1kfg n ASN 367 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1kfg s PRO 368 N -6.60 0.74 0.28 1.20 0.04 -1.26 -4.18 135.00 125.22 1kfg s PRO 368 Ca 0.02 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1kfg s PRO 368 Cb -0.01 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 1kfg s PRO 368 CO 0.90 -2.62 1.61 -2.30 0.04 0.00 0.00 177.00 174.63 1kfg n PRO 369 N -4.16 2.71 -0.01 0.56 -0.02 -1.25 -4.92 135.00 127.92 1kfg n PRO 369 Ca 0.07 0.97 0.09 0.00 -2.02 0.00 0.00 63.50 62.60 1kfg n PRO 369 Cb 0.55 -2.76 -0.13 0.00 -0.02 0.00 0.00 33.50 31.14 1kfg n PRO 369 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1kfg n GLN 370 N 2.38 0.72 -2.74 -0.52 1.13 -1.26 -4.54 117.38 112.55 1kfg n GLN 370 Ca 0.09 -0.12 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 1kfg n GLN 370 Cb 0.36 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.30 1kfg n GLN 370 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1kfg n HIS 371 N -1.92 2.26 -1.89 1.08 8.25 -1.26 -4.38 115.22 117.37 1kfg n HIS 371 Ca -0.01 -3.29 -0.38 0.00 -0.26 0.00 0.00 57.72 53.78 1kfg n HIS 371 Cb 0.42 -0.31 0.03 0.00 1.12 0.00 0.00 29.99 31.25 1kfg n HIS 371 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1kfg s PRO 372 N -3.21 3.28 -0.93 -0.41 0.04 -1.26 -3.19 135.00 129.32 1kfg s PRO 372 Ca 0.40 2.14 -0.24 0.00 0.04 0.00 0.00 61.00 63.34 1kfg s PRO 372 Cb 0.39 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1kfg s PRO 372 CO -0.09 -1.04 1.88 -1.58 0.04 0.00 0.00 177.00 176.21 1kfg s HIS 373 N -1.35 1.91 -0.18 0.56 2.46 -0.29 -4.86 115.29 113.54 1kfg s HIS 373 Ca 0.70 0.42 -0.06 0.00 0.47 0.00 0.00 55.06 56.58 1kfg s HIS 373 Cb -0.38 -4.13 0.08 0.00 -0.13 0.00 0.00 32.58 28.02 1kfg s HIS 373 CO 0.45 -1.75 0.38 -1.58 -2.47 0.00 0.00 174.74 169.78 1kfg s HIS 374 N 9.42 -0.71 0.08 3.88 5.04 -1.26 -3.95 115.29 127.79 1kfg s HIS 374 Ca 0.67 1.40 -0.29 0.00 -1.54 0.00 0.00 55.06 55.30 1kfg s HIS 374 Cb -0.05 0.23 -0.17 0.00 0.04 0.00 0.00 32.58 32.62 1kfg s HIS 374 CO -0.01 -0.45 1.67 0.00 -2.34 0.00 0.00 174.74 173.61 1kfg h ARG 375 N 8.19 -0.50 -0.14 2.88 3.08 -1.70 -2.11 114.38 124.09 1kfg h ARG 375 Ca -0.15 0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1kfg h ARG 375 Cb 1.11 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1kfg h ARG 375 CO 0.12 -0.33 -0.59 1.15 -1.07 0.00 0.00 179.97 179.26 1kfg h THR 376 N -0.52 1.35 -0.36 2.04 2.02 -1.83 -1.41 112.91 114.20 1kfg h THR 376 Ca -0.05 -1.89 -0.12 0.00 0.77 0.00 0.00 66.41 65.13 1kfg h THR 376 Cb 0.40 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1kfg h THR 376 CO 0.08 0.57 -0.26 0.00 0.37 0.00 0.00 175.52 176.29 1kfg h ALA 377 N 1.03 0.87 0.34 6.16 0.00 -1.90 -3.09 119.26 122.68 1kfg h ALA 377 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1kfg h ALA 377 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1kfg h ALA 377 CO 0.10 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 181.07 1kfg h HIS 378 N 0.63 -0.42 -2.17 0.00 6.17 -1.29 -1.16 115.15 116.91 1kfg h HIS 378 Ca 0.08 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.12 1kfg h HIS 378 Cb 0.77 0.14 0.02 0.00 2.52 0.00 0.00 27.41 30.85 1kfg h HIS 378 CO 0.04 -0.11 -0.07 0.41 0.71 0.00 0.00 177.93 178.90 1kfg n GLY 379 N -0.54 0.46 3.77 5.26 0.00 -0.54 -1.48 105.19 112.12 1kfg n GLY 379 Ca -0.10 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1kfg n GLY 379 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kfg s SER 380 N -3.11 6.98 0.00 1.61 0.15 -1.26 -4.72 113.70 113.35 1kfg s SER 380 Ca 0.01 2.16 0.10 0.00 0.70 0.00 0.00 55.95 58.92 1kfg s SER 380 Cb -0.01 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.85 1kfg s SER 380 CO 0.07 -0.34 0.96 -2.67 1.20 0.00 0.00 173.24 172.47 1kfg n TRP 381 N 0.52 0.15 -1.15 3.44 2.14 -1.26 -4.36 117.44 116.91 1kfg n TRP 381 Ca 0.02 -0.17 0.08 0.00 2.07 0.00 0.00 57.50 59.49 1kfg n TRP 381 Cb 0.47 -0.01 0.11 0.00 -0.81 0.00 0.00 31.31 31.07 1kfg n TRP 381 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1kfg n THR 382 N 0.52 1.49 -3.59 -1.67 -2.24 -1.26 -1.96 114.28 105.58 1kfg n THR 382 Ca 0.08 -1.78 -0.23 0.00 -2.27 0.00 0.00 64.05 59.85 1kfg n THR 382 Cb 0.31 -0.05 0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1kfg n THR 382 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kfg n ASP 383 N -1.12 -3.47 -3.71 3.42 -0.08 -1.24 -3.95 116.55 106.40 1kfg n ASP 383 Ca 0.12 -0.84 -0.15 0.00 -1.51 0.00 0.00 54.79 52.41 1kfg n ASP 383 Cb 0.62 -4.16 -0.15 0.00 2.34 0.00 0.00 41.12 39.78 1kfg n ASP 383 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1kfg s GLN 384 N -5.62 0.08 0.48 -0.67 -0.21 -1.26 -4.80 119.66 107.66 1kfg s GLN 384 Ca 0.23 0.47 0.31 0.00 0.02 0.00 0.00 55.36 56.38 1kfg s GLN 384 Cb -0.06 -0.20 1.17 0.00 1.00 0.00 0.00 33.01 34.92 1kfg s GLN 384 CO 0.81 -0.22 1.89 1.98 -2.12 0.00 0.00 175.29 177.62 1kfg h MET 385 N 7.69 0.00 -0.09 2.91 1.85 -1.94 -3.01 114.93 122.34 1kfg h MET 385 Ca -0.31 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 1kfg h MET 385 Cb 1.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.16 1kfg h MET 385 CO 0.31 0.00 0.00 0.25 -0.40 0.00 0.00 176.91 177.07 1kfg n THR 386 N -2.91 0.09 -3.71 -0.77 -2.24 -1.26 -4.88 114.28 98.59 1kfg n THR 386 Ca 0.01 -0.47 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 1kfg n THR 386 Cb 0.32 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.51 1kfg n THR 386 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kfg s SER 387 N -1.90 0.49 1.04 3.42 0.15 -1.14 -3.73 113.70 112.04 1kfg s SER 387 Ca 0.32 0.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 1kfg s SER 387 Cb 0.20 0.04 0.22 0.00 -1.71 0.00 0.00 66.02 64.77 1kfg s SER 387 CO 0.31 -0.19 1.07 -2.16 1.20 0.00 0.00 173.24 173.47 1kfg s PRO 388 N 1.68 0.05 0.00 5.44 0.04 -1.26 -4.39 135.00 136.55 1kfg s PRO 388 Ca -0.02 0.70 0.24 0.00 0.04 0.00 0.00 61.00 61.95 1kfg s PRO 388 Cb -0.12 -1.68 1.41 0.00 0.04 0.00 0.00 34.50 34.15 1kfg s PRO 388 CO -0.04 -3.04 1.88 0.25 0.04 0.00 0.00 177.00 176.09 1kfg n THR 389 N -4.42 0.00 -4.17 1.26 -2.24 -1.24 -4.80 114.28 98.67 1kfg n THR 389 Ca 0.05 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.72 1kfg n THR 389 Cb 0.56 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1kfg n THR 389 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1kfg s TYR 390 N -2.00 0.91 -0.07 4.78 -0.85 -1.26 -5.12 117.35 113.74 1kfg s TYR 390 Ca 0.35 -1.16 -0.28 0.00 -0.52 0.00 0.00 57.07 55.47 1kfg s TYR 390 Cb 0.16 -0.52 -0.02 0.00 0.38 0.00 0.00 41.96 41.96 1kfg s TYR 390 CO 0.27 -0.42 0.91 -1.01 -1.52 0.00 0.00 175.55 173.78 1kfg s HIS 391 N -3.93 3.56 -0.20 -3.49 3.76 -1.26 -4.92 115.29 108.81 1kfg s HIS 391 Ca 0.22 1.50 0.27 0.00 -0.15 0.00 0.00 55.06 56.91 1kfg s HIS 391 Cb 0.07 -3.06 0.76 0.00 1.11 0.00 0.00 32.58 31.46 1kfg s HIS 391 CO 0.01 -0.10 1.76 0.00 -0.85 0.00 0.00 174.74 175.56 1kfg h ARG 392 N 6.98 0.00 -5.90 1.40 3.08 -1.14 -3.45 114.38 115.34 1kfg h ARG 392 Ca -0.36 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.18 1kfg h ARG 392 Cb 1.18 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.04 1kfg h ARG 392 CO 0.80 0.02 -0.79 -1.01 -1.07 0.00 0.00 179.97 177.93 1kfg s HIS 393 N -3.40 1.76 -0.39 3.04 3.76 -0.45 -4.95 115.29 114.66 1kfg s HIS 393 Ca 0.04 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1kfg s HIS 393 Cb 0.07 -0.89 0.04 0.00 1.11 0.00 0.00 32.58 32.90 1kfg s HIS 393 CO 0.62 0.28 0.23 0.99 -0.85 0.00 0.00 174.74 176.01 1kfg s THR 394 N -1.91 4.53 -1.22 1.30 2.01 -1.26 -4.73 115.64 114.36 1kfg s THR 394 Ca 0.13 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 1kfg s THR 394 Cb -0.06 -3.59 0.17 0.00 0.01 0.00 0.00 72.50 69.03 1kfg s THR 394 CO 0.06 -0.31 1.49 0.00 -0.69 0.00 0.00 174.62 175.17 1kfg n ILE 395 N 4.99 4.26 -1.56 1.82 3.06 -1.26 -4.98 119.36 125.68 1kfg n ILE 395 Ca -0.11 -4.68 -0.49 0.00 -2.50 0.00 0.00 62.75 54.96 1kfg n ILE 395 Cb 0.45 -2.45 -0.04 0.00 0.54 0.00 0.00 39.64 38.14 1kfg n ILE 395 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1kfg n TYR 396 N 5.53 1.13 0.00 9.51 4.01 -1.26 -3.03 117.16 133.06 1kfg n TYR 396 Ca 0.37 0.73 0.00 0.00 -0.16 0.00 0.00 57.90 58.84 1kfg n TYR 396 Cb 0.42 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.21 1kfg n TYR 396 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kfg n GLY 397 N 1.95 2.74 3.69 2.72 0.00 -0.39 -3.05 105.19 112.84 1kfg n GLY 397 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1kfg n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfg s ALA 398 N -2.10 3.74 -0.30 4.61 0.00 -1.17 -4.37 121.76 122.17 1kfg s ALA 398 Ca 0.00 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 1kfg s ALA 398 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1kfg s ALA 398 CO 0.00 -1.22 0.47 -1.17 0.00 0.00 0.00 175.76 173.84 1kfg s LEU 399 N 2.79 4.17 0.87 0.00 2.96 -1.26 -0.89 118.68 127.32 1kfg s LEU 399 Ca 0.80 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.81 1kfg s LEU 399 Cb -0.45 -2.55 0.11 0.00 0.50 0.00 0.00 46.19 43.80 1kfg s LEU 399 CO 0.36 -0.33 1.11 0.68 -1.32 0.00 0.00 176.35 176.84 1kfg s VAL 400 N 2.26 2.58 0.19 1.68 -7.23 -0.91 -4.58 120.40 114.40 1kfg s VAL 400 Ca 0.18 0.19 -0.14 0.00 -1.81 0.00 0.00 61.98 60.40 1kfg s VAL 400 Cb -0.16 -2.85 0.15 0.00 0.56 0.00 0.00 36.38 34.08 1kfg s VAL 400 CO 0.11 -0.25 1.66 1.23 -0.31 0.00 0.00 175.10 177.55 1kfg h GLY 401 N -1.39 0.44 0.00 2.32 0.00 -0.70 -3.43 103.07 100.32 1kfg h GLY 401 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1kfg h GLY 401 CO 0.59 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1kfg n GLY 402 N -1.34 1.82 3.76 4.60 0.00 -0.64 -1.23 105.19 112.17 1kfg n GLY 402 Ca 0.05 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 1kfg n GLY 402 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kfg s PRO 403 N -1.65 0.36 0.34 1.61 0.04 -1.26 -4.47 135.00 129.98 1kfg s PRO 403 Ca 0.00 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.05 1kfg s PRO 403 Cb 0.00 -1.77 0.08 0.00 0.04 0.00 0.00 34.50 32.85 1kfg s PRO 403 CO 0.00 -2.68 0.47 -0.40 0.04 0.00 0.00 177.00 174.43 1kfg n ASP 404 N -4.06 0.10 0.00 6.66 5.68 0.23 -4.79 116.55 120.37 1kfg n ASP 404 Ca 0.10 -1.21 0.05 0.00 -0.50 0.00 0.00 54.79 53.23 1kfg n ASP 404 Cb 0.59 -0.35 0.21 0.00 -1.14 0.00 0.00 41.12 40.43 1kfg n ASP 404 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1kfg n ASN 405 N -3.27 0.00 -0.84 -1.12 6.94 -1.26 -1.94 115.26 113.77 1kfg n ASN 405 Ca 0.06 0.49 0.06 0.00 -0.02 0.00 0.00 54.58 55.17 1kfg n ASN 405 Cb 0.21 -0.49 0.23 0.00 -2.36 0.00 0.00 39.78 37.37 1kfg n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfg n ALA 406 N -1.49 3.15 -1.09 -2.53 0.00 -1.26 -4.35 120.51 112.95 1kfg n ALA 406 Ca 0.02 -2.51 -0.03 0.00 0.00 0.00 0.00 53.44 50.93 1kfg n ALA 406 Cb 0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1kfg n ALA 406 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kfg n ASP 407 N -0.75 -4.49 -4.72 0.00 8.00 -0.82 -4.83 116.55 108.93 1kfg n ASP 407 Ca 0.23 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.39 1kfg n ASP 407 Cb 0.89 -2.26 -0.03 0.00 -0.02 0.00 0.00 41.12 39.70 1kfg n ASP 407 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1kfg s GLY 408 N -2.24 2.52 -0.15 0.44 0.00 -1.26 -4.74 107.32 101.89 1kfg s GLY 408 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.51 1kfg s GLY 408 CO 0.00 1.95 0.39 -0.47 0.00 0.00 0.00 173.10 174.97 1kfg s TYR 409 N 0.53 -0.51 -0.10 1.90 5.04 -1.26 -0.60 117.35 122.35 1kfg s TYR 409 Ca 0.56 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 56.34 1kfg s TYR 409 Cb -0.31 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.22 1kfg s TYR 409 CO 0.32 -0.28 -0.10 0.99 -1.34 0.00 0.00 175.55 175.15 1kfg s THR 410 N 0.89 1.13 -1.08 4.34 2.01 -1.26 -5.08 115.64 116.58 1kfg s THR 410 Ca -0.06 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 1kfg s THR 410 Cb -0.06 -1.09 0.13 0.00 0.01 0.00 0.00 72.50 71.49 1kfg s THR 410 CO -0.07 0.37 1.35 -0.62 -0.69 0.00 0.00 174.62 174.96 1kfg s ASP 411 N 1.22 6.79 0.04 3.53 2.15 -1.26 -4.71 116.67 124.44 1kfg s ASP 411 Ca -0.04 -2.35 0.04 0.00 0.43 0.00 0.00 52.55 50.63 1kfg s ASP 411 Cb -0.14 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 40.01 1kfg s ASP 411 CO -0.03 -1.02 -0.12 -1.61 -0.17 0.00 0.00 175.17 172.21 1kfg s GLU 412 N 2.77 0.78 0.44 4.34 2.02 -1.26 -4.69 118.70 123.11 1kfg s GLU 412 Ca 0.40 -0.77 0.12 0.00 0.02 0.00 0.00 54.97 54.75 1kfg s GLU 412 Cb -0.02 -0.74 0.97 0.00 0.10 0.00 0.00 34.13 34.43 1kfg s GLU 412 CO -0.04 0.17 2.01 0.97 0.02 0.00 0.00 175.26 178.39 1kfg h ILE 413 N 4.48 1.11 -0.58 -1.63 2.10 -1.89 -2.51 117.51 118.59 1kfg h ILE 413 Ca -0.38 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.09 1kfg h ILE 413 Cb 1.19 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 1kfg h ILE 413 CO 0.43 0.15 0.00 -3.20 -1.08 0.00 0.00 178.15 174.45 1kfg n ASN 414 N -4.38 4.79 -3.74 2.19 5.15 -1.26 -4.21 115.26 113.79 1kfg n ASN 414 Ca -0.01 -2.57 -0.42 0.00 -0.60 0.00 0.00 54.58 50.98 1kfg n ASN 414 Cb 0.19 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1kfg n ASN 414 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1kfg n ASN 415 N 0.85 4.25 -0.10 1.20 2.85 -0.95 -4.74 115.26 118.63 1kfg n ASN 415 Ca 0.25 -2.89 0.00 0.00 -0.11 0.00 0.00 54.58 51.83 1kfg n ASN 415 Cb 0.93 -1.62 0.00 0.00 1.24 0.00 0.00 39.78 40.33 1kfg n ASN 415 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kfg n TYR 416 N 5.56 0.00 -0.02 1.20 4.11 -1.26 -0.62 117.16 126.13 1kfg n TYR 416 Ca 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 58.38 1kfg n TYR 416 Cb 0.38 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.69 1kfg n TYR 416 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1kfg n VAL 417 N -0.34 0.21 -0.08 -3.48 0.31 -1.26 -4.37 118.33 109.32 1kfg n VAL 417 Ca 0.00 -0.12 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 1kfg n VAL 417 Cb 0.02 -0.84 -0.15 0.00 -0.91 0.00 0.00 33.84 31.95 1kfg n VAL 417 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1kfg n ASN 418 N -2.25 0.28 -0.94 4.52 4.13 -1.04 -4.42 115.26 115.55 1kfg n ASN 418 Ca -0.05 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.28 1kfg n ASN 418 Cb 0.59 1.19 0.24 0.00 -1.54 0.00 0.00 39.78 40.26 1kfg n ASN 418 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1kfg n ASN 419 N -2.60 3.74 -4.81 6.41 4.13 0.21 -1.62 115.26 120.72 1kfg n ASN 419 Ca -0.25 -2.56 -0.33 0.00 1.68 0.00 0.00 54.58 53.12 1kfg n ASN 419 Cb 0.99 -0.44 -0.01 0.00 -1.54 0.00 0.00 39.78 38.78 1kfg n ASN 419 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1kfg s GLU 420 N -2.02 3.57 0.03 3.52 8.01 -1.26 -1.13 118.70 129.43 1kfg s GLU 420 Ca 0.37 1.16 0.03 0.00 0.01 0.00 0.00 54.97 56.54 1kfg s GLU 420 Cb 0.26 -2.07 -0.02 0.00 -4.31 0.00 0.00 34.13 27.99 1kfg s GLU 420 CO 0.14 -0.60 -0.09 0.96 0.01 0.00 0.00 175.26 175.69 1kfg s ILE 421 N -2.42 0.63 0.06 -1.63 -4.36 -1.26 -1.34 121.20 110.88 1kfg s ILE 421 Ca 0.63 -0.90 -0.26 0.00 -0.26 0.00 0.00 60.65 59.85 1kfg s ILE 421 Cb -0.14 -0.64 0.08 0.00 1.25 0.00 0.00 42.46 43.01 1kfg s ILE 421 CO 0.32 -0.21 0.73 0.00 0.24 0.00 0.00 174.94 176.02 1kfg s ALA 422 N -1.03 -1.71 0.19 2.27 0.00 -1.26 -3.62 121.76 116.59 1kfg s ALA 422 Ca -0.05 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 1kfg s ALA 422 Cb -0.08 0.55 0.15 0.00 0.00 0.00 0.00 23.12 23.74 1kfg s ALA 422 CO 0.01 -0.68 1.62 0.00 0.00 0.00 0.00 175.76 176.71 1kfg h ASP 424 N -0.10 0.00 -0.49 0.00 2.03 -1.84 -2.20 116.42 113.82 1kfg h ASP 424 Ca 0.24 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.51 1kfg h ASP 424 Cb 0.47 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.95 1kfg h ASP 424 CO -0.58 0.19 0.22 1.88 -1.03 0.00 0.00 179.24 179.92 1kfg h TYR 425 N 0.00 0.75 -0.00 4.15 -1.99 -1.64 -2.88 116.97 115.36 1kfg h TYR 425 Ca -0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1kfg h TYR 425 Cb 0.33 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1kfg h TYR 425 CO 0.00 0.57 -0.48 0.09 -0.00 0.00 0.00 178.16 178.35 1kfg n ASN 426 N -4.35 0.79 0.21 3.88 4.13 -0.86 -4.35 115.26 114.71 1kfg n ASN 426 Ca 0.04 -0.59 -0.08 0.00 1.68 0.00 0.00 54.58 55.63 1kfg n ASN 426 Cb 0.15 0.31 -0.04 0.00 -1.54 0.00 0.00 39.78 38.65 1kfg n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kfg h ALA 427 N 3.26 -1.00 -0.54 5.41 0.00 -1.24 -1.23 119.26 123.92 1kfg h ALA 427 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1kfg h ALA 427 Cb 0.51 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1kfg h ALA 427 CO 0.00 -0.96 0.19 0.78 0.00 0.00 0.00 179.25 179.26 1kfg h GLY 428 N -0.60 0.86 0.22 0.00 0.00 -1.82 -2.68 103.07 99.05 1kfg h GLY 428 Ca -0.05 -0.45 0.09 0.00 0.00 0.00 0.00 47.33 46.91 1kfg h GLY 428 CO 0.09 0.43 -0.03 -2.75 0.00 0.00 0.00 176.54 174.27 1kfg h PHE 429 N 0.78 -0.09 -0.88 5.60 -0.00 -1.72 0.74 116.94 121.37 1kfg h PHE 429 Ca 0.18 0.04 0.06 0.00 -0.00 0.00 0.00 57.97 58.25 1kfg h PHE 429 Cb 0.21 0.11 -0.06 0.00 -0.00 0.00 0.00 35.95 36.20 1kfg h PHE 429 CO 0.01 -0.13 0.55 1.15 -0.00 0.00 0.00 178.31 179.90 1kfg h THR 430 N 0.08 1.05 -0.48 4.41 2.02 -0.87 0.42 112.91 119.54 1kfg h THR 430 Ca 0.22 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1kfg h THR 430 Cb 0.33 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1kfg h THR 430 CO -0.40 0.18 0.11 1.23 0.37 0.00 0.00 175.52 177.02 1kfg h GLY 431 N 1.00 0.83 1.26 2.16 0.00 -1.09 -1.14 103.07 106.08 1kfg h GLY 431 Ca 0.39 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1kfg h GLY 431 CO -0.17 0.49 0.08 0.00 0.00 0.00 0.00 176.54 176.93 1kfg h ALA 432 N 0.98 1.07 -0.62 3.60 0.00 -0.27 -1.92 119.26 122.10 1kfg h ALA 432 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1kfg h ALA 432 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1kfg h ALA 432 CO 0.00 0.60 0.02 -0.07 0.00 0.00 0.00 179.25 179.80 1kfg h LEU 433 N 0.86 1.06 -0.90 0.00 3.38 -0.72 -0.96 115.31 118.03 1kfg h LEU 433 Ca 0.18 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1kfg h LEU 433 Cb 0.40 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1kfg h LEU 433 CO 0.01 1.10 0.42 0.00 0.09 0.00 0.00 178.44 180.06 1kfg h ALA 434 N 1.00 1.15 -0.44 1.53 0.00 -0.88 0.91 119.26 122.52 1kfg h ALA 434 Ca 0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1kfg h ALA 434 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1kfg h ALA 434 CO 0.03 0.66 -0.11 -0.22 0.00 0.00 0.00 179.25 179.61 1kfg h LYS 435 N 1.20 0.86 -0.32 0.00 1.63 -1.00 -1.78 116.57 117.16 1kfg h LYS 435 Ca 0.29 -0.33 -0.12 0.00 -0.85 0.00 0.00 60.65 59.65 1kfg h LYS 435 Cb 0.09 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1kfg h LYS 435 CO -0.04 0.96 -0.29 0.52 -3.45 0.00 0.00 179.45 177.15 1kfg h MET 436 N 0.69 0.67 -0.78 1.90 2.86 -0.83 -1.35 114.93 118.09 1kfg h MET 436 Ca 0.11 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1kfg h MET 436 Cb 0.65 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1kfg h MET 436 CO 0.04 0.88 0.30 -0.92 1.06 0.00 0.00 176.91 178.27 1kfg h TYR 437 N 0.57 1.19 -0.84 -0.22 3.20 -0.71 0.57 116.97 120.73 1kfg h TYR 437 Ca 0.07 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1kfg h TYR 437 Cb 0.79 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1kfg h TYR 437 CO 0.04 0.91 0.41 -0.22 -1.64 0.00 0.00 178.16 177.66 1kfg h LYS 438 N 1.13 1.21 -0.01 1.82 3.64 -0.99 0.39 116.57 123.76 1kfg h LYS 438 Ca 0.26 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1kfg h LYS 438 Cb 0.23 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1kfg h LYS 438 CO -0.02 0.93 -0.41 0.45 -2.27 0.00 0.00 179.45 178.13 1kfg h HIS 439 N 1.20 0.43 0.00 1.91 3.86 -0.61 -3.41 115.15 118.54 1kfg h HIS 439 Ca 0.29 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1kfg h HIS 439 Cb 0.11 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1kfg h HIS 439 CO 0.01 1.03 0.00 0.43 0.86 0.00 0.00 177.93 180.26 1kfg n SER 440 N -4.37 0.75 0.00 2.45 7.64 0.20 -5.09 113.62 115.20 1kfg n SER 440 Ca -0.10 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1kfg n SER 440 Cb 0.58 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1kfg n SER 440 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfg n GLY 441 N 0.09 0.06 0.00 0.23 0.00 0.14 -4.96 105.19 100.74 1kfg n GLY 441 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1kfg n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfg n GLY 442 N 0.00 2.22 3.71 -0.02 0.00 -1.26 -2.79 105.19 107.05 1kfg n GLY 442 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1kfg n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kfg s ASP 443 N 0.00 7.26 0.85 1.61 1.01 -1.26 -1.92 116.67 124.22 1kfg s ASP 443 Ca 0.00 1.78 -0.11 0.00 0.71 0.00 0.00 52.55 54.93 1kfg s ASP 443 Cb 0.00 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.46 1kfg s ASP 443 CO 0.00 -0.35 1.09 -2.84 0.21 0.00 0.00 175.17 173.28 1kfg s PRO 444 N 1.12 1.63 -0.11 8.23 0.02 -1.26 -4.12 135.00 140.51 1kfg s PRO 444 Ca 0.54 1.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.31 1kfg s PRO 444 Cb -0.24 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 1kfg s PRO 444 CO 0.28 -2.05 1.08 0.42 -0.33 0.00 0.00 177.00 176.40 1kfg s ILE 445 N -2.88 4.58 0.25 2.83 1.01 -1.26 -4.90 121.20 120.83 1kfg s ILE 445 Ca 0.63 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.85 1kfg s ILE 445 Cb -0.18 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 37.97 1kfg s ILE 445 CO 0.57 -0.03 1.52 -2.16 0.00 0.00 0.00 174.94 174.83 1kfg s PRO 446 N 2.33 4.21 -1.53 2.79 0.04 -1.26 -2.97 135.00 138.60 1kfg s PRO 446 Ca 0.50 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.88 1kfg s PRO 446 Cb -0.20 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.31 1kfg s PRO 446 CO 0.17 -0.53 0.49 0.09 0.04 0.00 0.00 177.00 177.26 1kfg n ASN 447 N 2.60 -1.16 -4.75 6.66 3.02 -1.26 -4.87 115.26 115.50 1kfg n ASN 447 Ca 0.09 -1.05 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 1kfg n ASN 447 Cb 0.39 -2.73 -0.02 0.00 -0.61 0.00 0.00 39.78 36.81 1kfg n ASN 447 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1kfg s PHE 448 N -3.78 3.04 0.12 3.10 5.36 -1.16 -5.02 117.98 119.64 1kfg s PHE 448 Ca 0.26 1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 57.36 1kfg s PHE 448 Cb -0.14 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 1kfg s PHE 448 CO 0.92 -2.42 0.03 0.15 -1.46 0.00 0.00 175.22 172.44 1kfg s LYS 449 N -0.67 0.90 -0.60 10.12 1.02 -1.26 -5.03 119.74 124.21 1kfg s LYS 449 Ca 0.57 -1.41 0.04 0.00 0.02 0.00 0.00 55.97 55.18 1kfg s LYS 449 Cb -0.41 0.15 0.36 0.00 -0.52 0.00 0.00 37.83 37.41 1kfg s LYS 449 CO 0.45 -0.21 1.15 0.00 -0.92 0.00 0.00 175.35 175.82 1kfg n ALA 450 N -0.08 5.06 -2.95 5.17 0.00 0.15 -4.97 120.51 122.88 1kfg n ALA 450 Ca -0.07 -4.55 -0.44 0.00 0.00 0.00 0.00 53.44 48.38 1kfg n ALA 450 Cb 0.63 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 1kfg n ALA 450 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1kfg s ILE 451 N -4.81 4.52 0.37 0.00 -1.09 -1.26 -2.96 121.20 115.97 1kfg s ILE 451 Ca 0.48 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 58.09 1kfg s ILE 451 Cb 0.31 -4.61 -0.10 0.00 -1.58 0.00 0.00 42.46 36.48 1kfg s ILE 451 CO -0.17 -1.34 0.84 -1.61 -1.23 0.00 0.00 174.94 171.43 1kfg s GLU 452 N 3.51 4.13 0.31 2.79 2.02 -1.26 -4.97 118.70 125.23 1kfg s GLU 452 Ca 0.18 0.90 -0.28 0.00 0.02 0.00 0.00 54.97 55.80 1kfg s GLU 452 Cb -0.19 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 1kfg s GLU 452 CO 0.08 0.08 1.04 -1.59 0.02 0.00 0.00 175.26 174.90 1kfg s LYS 453 N -3.01 4.54 -0.23 1.61 -2.85 -1.26 -4.96 119.74 113.57 1kfg s LYS 453 Ca 0.57 1.62 -0.29 0.00 -1.00 0.00 0.00 55.97 56.87 1kfg s LYS 453 Cb -0.10 -2.98 -0.00 0.00 -2.06 0.00 0.00 37.83 32.68 1kfg s LYS 453 CO 0.16 0.17 1.25 0.42 0.10 0.00 0.00 175.35 177.45 1kfg s ILE 454 N -1.35 4.26 -2.80 3.79 1.01 -1.26 -4.91 121.20 119.95 1kfg s ILE 454 Ca 0.48 1.48 0.25 0.00 0.00 0.00 0.00 60.65 62.87 1kfg s ILE 454 Cb -0.27 -4.11 0.30 0.00 0.01 0.00 0.00 42.46 38.40 1kfg s ILE 454 CO 0.34 -0.29 1.42 0.35 0.00 0.00 0.00 174.94 176.75 1kfg n THR 455 N 5.74 0.00 -3.78 2.92 -2.24 -1.26 -4.90 114.28 110.77 1kfg n THR 455 Ca 0.14 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1kfg n THR 455 Cb 0.46 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 1kfg n THR 455 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1kfg s ASN 456 N -2.02 -0.23 0.11 3.42 4.22 -1.26 -5.11 114.94 114.07 1kfg s ASN 456 Ca 0.31 0.33 -0.31 0.00 -2.14 0.00 0.00 52.86 51.04 1kfg s ASN 456 Cb 0.20 0.46 -0.11 0.00 1.28 0.00 0.00 41.25 43.09 1kfg s ASN 456 CO 0.32 -0.26 1.84 0.47 -2.04 0.00 0.00 177.10 177.43 1kfg n ASP 457 N 2.14 3.98 0.10 3.54 8.00 -1.26 -4.88 116.55 128.17 1kfg n ASP 457 Ca -0.17 0.98 -0.01 0.00 0.71 0.00 0.00 54.79 56.30 1kfg n ASP 457 Cb 0.57 -1.53 0.24 0.00 -0.02 0.00 0.00 41.12 40.38 1kfg n ASP 457 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1kfg h GLU 458 N 8.63 0.24 -3.60 -1.24 5.08 -1.94 -3.41 114.58 118.33 1kfg h GLU 458 Ca -0.47 -0.10 -0.45 0.00 -1.00 0.00 0.00 59.36 57.34 1kfg h GLU 458 Cb 1.23 -0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.08 1kfg h GLU 458 CO 0.94 0.59 -0.76 0.08 -1.00 0.00 0.00 179.01 178.86 1kfg s VAL 459 N -4.20 0.33 0.46 3.13 1.01 -1.26 0.43 120.40 120.29 1kfg s VAL 459 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1kfg s VAL 459 Cb 0.14 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1kfg s VAL 459 CO 0.77 0.14 0.04 0.27 0.00 0.00 0.00 175.10 176.32 1kfg s ILE 460 N 1.98 1.12 -0.04 2.22 -4.36 -0.52 -4.63 121.20 116.97 1kfg s ILE 460 Ca 0.04 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1kfg s ILE 460 Cb -0.13 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.22 1kfg s ILE 460 CO -0.06 0.00 0.10 -0.51 0.24 0.00 0.00 174.94 174.71 1kfg s ILE 461 N -2.98 -0.01 0.05 8.37 2.07 -1.26 -1.07 121.20 126.37 1kfg s ILE 461 Ca 0.17 0.03 0.09 0.00 -1.41 0.00 0.00 60.65 59.53 1kfg s ILE 461 Cb 0.03 -0.15 -0.03 0.00 0.13 0.00 0.00 42.46 42.45 1kfg s ILE 461 CO 0.09 0.01 -0.26 -0.54 -1.91 0.00 0.00 174.94 172.33 1kfg s LYS 462 N 0.23 1.82 0.17 3.50 1.02 0.03 -2.30 119.74 124.19 1kfg s LYS 462 Ca -0.01 -1.10 -0.07 0.00 0.02 0.00 0.00 55.97 54.80 1kfg s LYS 462 Cb -0.02 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 1kfg s LYS 462 CO -0.01 0.51 0.24 0.00 -0.92 0.00 0.00 175.35 175.17 1kfg s ALA 463 N -0.82 0.26 0.08 5.17 0.00 0.01 -0.51 121.76 125.96 1kfg s ALA 463 Ca 0.12 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 1kfg s ALA 463 Cb -0.10 0.92 0.08 0.00 0.00 0.00 0.00 23.12 24.02 1kfg s ALA 463 CO 0.02 -0.62 0.78 0.20 0.00 0.00 0.00 175.76 176.14 1kfg s GLY 464 N -3.00 -0.48 -0.21 0.00 0.00 -0.52 -2.10 107.32 101.01 1kfg s GLY 464 Ca 0.21 0.67 -0.29 0.00 0.00 0.00 0.00 44.72 45.31 1kfg s GLY 464 CO 0.02 0.22 1.14 -2.27 0.00 0.00 0.00 173.10 172.20 1kfg s LEU 465 N -2.64 4.11 -0.14 0.66 2.96 -0.54 -1.41 118.68 121.68 1kfg s LEU 465 Ca 0.05 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1kfg s LEU 465 Cb -0.01 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.90 1kfg s LEU 465 CO -0.09 -0.73 0.26 -3.20 -1.32 0.00 0.00 176.35 171.27 1kfg n ASN 466 N 6.51 1.65 -3.52 3.68 4.05 -0.01 -2.31 115.26 125.30 1kfg n ASN 466 Ca 0.13 0.15 -0.15 0.00 0.45 0.00 0.00 54.58 55.16 1kfg n ASN 466 Cb 0.46 -0.43 -0.05 0.00 1.23 0.00 0.00 39.78 40.99 1kfg n ASN 466 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1kfg s SER 467 N -6.59 -0.55 -0.00 1.20 0.15 -1.05 -4.87 113.70 101.99 1kfg s SER 467 Ca -0.21 0.34 -0.16 0.00 0.70 0.00 0.00 55.95 56.62 1kfg s SER 467 Cb 0.07 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1kfg s SER 467 CO 0.75 -0.73 0.34 0.28 1.20 0.00 0.00 173.24 175.07 1kfg s THR 468 N -2.26 0.06 0.29 6.45 -1.32 -1.26 -1.10 115.64 116.50 1kfg s THR 468 Ca -0.06 -0.47 -0.16 0.00 -1.21 0.00 0.00 61.69 59.78 1kfg s THR 468 Cb -0.01 -0.71 0.02 0.00 -1.51 0.00 0.00 72.50 70.30 1kfg s THR 468 CO 0.00 -0.26 0.65 -0.83 -2.21 0.00 0.00 174.62 171.97 1kfg s GLY 469 N -1.46 0.28 0.59 6.08 0.00 -1.01 -4.99 107.32 106.80 1kfg s GLY 469 Ca -0.12 -0.64 0.29 0.00 0.00 0.00 0.00 44.72 44.25 1kfg s GLY 469 CO 0.03 -0.35 1.93 -2.55 0.00 0.00 0.00 173.10 172.16 1kfg h PRO 470 N 2.08 0.00 0.00 2.90 0.11 -1.97 -2.63 132.00 132.49 1kfg h PRO 470 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1kfg h PRO 470 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kfg h PRO 470 CO 0.31 0.00 -0.09 0.27 -0.21 0.00 0.00 178.00 178.28 1kfg n ASN 471 N -3.77 1.88 -3.58 -2.05 6.94 -1.25 -4.05 115.26 109.39 1kfg n ASN 471 Ca 0.08 -2.80 -0.08 0.00 -0.02 0.00 0.00 54.58 51.76 1kfg n ASN 471 Cb 0.63 -0.35 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1kfg n ASN 471 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1kfg s TYR 472 N -2.21 -0.35 -0.04 -2.53 -0.85 -0.99 0.77 117.35 111.15 1kfg s TYR 472 Ca 0.24 0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.90 1kfg s TYR 472 Cb 0.21 0.59 0.02 0.00 0.38 0.00 0.00 41.96 43.16 1kfg s TYR 472 CO 0.02 -0.81 -0.04 0.99 -1.52 0.00 0.00 175.55 174.20 1kfg s THR 473 N -3.49 0.47 -0.15 -3.49 2.01 -0.97 -2.42 115.64 107.60 1kfg s THR 473 Ca 0.06 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1kfg s THR 473 Cb -0.02 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1kfg s THR 473 CO -0.06 0.21 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.17 1kfg s GLU 474 N 0.91 2.99 -0.04 4.92 2.12 -0.26 -1.89 118.70 127.46 1kfg s GLU 474 Ca -0.11 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.37 1kfg s GLU 474 Cb -0.14 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 1kfg s GLU 474 CO -0.00 -0.07 0.03 0.42 -0.54 0.00 0.00 175.26 175.10 1kfg s ILE 475 N 0.95 4.45 -0.27 -3.70 -1.09 0.11 -0.83 121.20 120.81 1kfg s ILE 475 Ca -0.04 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 57.93 1kfg s ILE 475 Cb -0.15 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1kfg s ILE 475 CO -0.05 0.46 0.07 -0.75 -1.23 0.00 0.00 174.94 173.44 1kfg s LYS 476 N -1.35 3.33 0.08 2.79 2.20 -0.50 -1.24 119.74 125.06 1kfg s LYS 476 Ca 0.18 -0.69 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 1kfg s LYS 476 Cb -0.12 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1kfg s LYS 476 CO 0.08 -0.33 -0.21 0.00 -0.36 0.00 0.00 175.35 174.53 1kfg s ALA 477 N 1.55 1.84 -0.07 3.13 0.00 -0.11 -1.43 121.76 126.65 1kfg s ALA 477 Ca 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 1kfg s ALA 477 Cb -0.16 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1kfg s ALA 477 CO 0.03 0.39 0.04 0.08 0.00 0.00 0.00 175.76 176.29 1kfg s VAL 478 N -1.02 0.14 -0.01 0.00 1.01 0.33 0.01 120.40 120.86 1kfg s VAL 478 Ca 0.07 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1kfg s VAL 478 Cb -0.10 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.84 1kfg s VAL 478 CO 0.03 0.16 0.46 -0.69 0.00 0.00 0.00 175.10 175.07 1kfg s VAL 479 N 2.07 5.00 -0.07 2.92 1.01 -0.70 -0.79 120.40 129.84 1kfg s VAL 479 Ca 0.04 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.01 1kfg s VAL 479 Cb -0.13 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1kfg s VAL 479 CO -0.05 0.51 -0.15 -0.31 0.00 0.00 0.00 175.10 175.10 1kfg s TYR 480 N -0.65 1.70 -0.44 5.22 1.51 -0.24 -2.01 117.35 122.45 1kfg s TYR 480 Ca 0.25 -0.61 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 1kfg s TYR 480 Cb -0.17 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.51 1kfg s TYR 480 CO 0.14 -0.27 0.59 1.21 -1.11 0.00 0.00 175.55 176.10 1kfg s ASN 481 N 0.45 6.28 -0.24 2.29 3.84 0.11 -1.44 114.94 126.23 1kfg s ASN 481 Ca -0.13 -0.49 0.09 0.00 0.21 0.00 0.00 52.86 52.54 1kfg s ASN 481 Cb -0.15 -2.29 0.44 0.00 -0.55 0.00 0.00 41.25 38.70 1kfg s ASN 481 CO 0.04 -0.74 1.22 0.00 -2.79 0.00 0.00 177.10 174.83 1kfg n GLN 482 N 6.08 2.37 -1.87 0.43 6.02 0.17 -4.41 117.38 126.16 1kfg n GLN 482 Ca -0.04 -3.64 -0.38 0.00 -0.01 0.00 0.00 57.00 52.93 1kfg n GLN 482 Cb 0.47 -1.88 0.03 0.00 1.02 0.00 0.00 30.24 29.88 1kfg n GLN 482 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1kfg s THR 483 N -3.76 2.26 0.00 5.09 -4.23 -0.92 -4.55 115.64 109.53 1kfg s THR 483 Ca 0.43 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1kfg s THR 483 Cb 0.39 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1kfg s THR 483 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1kfg n GLY 484 N 0.66 1.00 2.58 3.99 0.00 -1.26 -4.27 105.19 107.89 1kfg n GLY 484 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1kfg n GLY 484 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kfg n TRP 485 N 0.00 2.76 -2.84 1.61 8.01 -1.26 -3.34 117.44 122.37 1kfg n TRP 485 Ca 0.00 -3.96 -0.19 0.00 -1.31 0.00 0.00 57.50 52.04 1kfg n TRP 485 Cb 0.01 -0.48 0.02 0.00 -2.01 0.00 0.00 31.31 28.86 1kfg n TRP 485 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1kfg s PRO 486 N -2.77 2.71 0.36 -0.99 0.04 -1.22 -4.80 135.00 128.33 1kfg s PRO 486 Ca 0.43 -0.97 -0.28 0.00 0.04 0.00 0.00 61.00 60.22 1kfg s PRO 486 Cb 0.25 -2.62 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 1kfg s PRO 486 CO -0.09 -0.48 1.52 0.00 0.04 0.00 0.00 177.00 177.99 1kfg s ALA 487 N -2.56 3.61 0.08 8.56 0.00 -1.21 -4.89 121.76 125.35 1kfg s ALA 487 Ca 0.55 1.59 -0.26 0.00 0.00 0.00 0.00 51.96 53.85 1kfg s ALA 487 Cb -0.10 -3.62 0.08 0.00 0.00 0.00 0.00 23.12 19.47 1kfg s ALA 487 CO 0.36 -1.06 0.69 -0.98 0.00 0.00 0.00 175.76 174.76 1kfg s ARG 488 N -1.79 1.13 0.22 0.00 1.70 -1.26 -4.76 118.95 114.19 1kfg s ARG 488 Ca 0.55 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.22 1kfg s ARG 488 Cb -0.47 0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 34.34 1kfg s ARG 488 CO 0.61 -0.47 1.17 0.08 -1.08 0.00 0.00 175.30 175.61 1kfg s VAL 489 N -3.11 3.51 -0.42 4.99 1.01 -1.26 -4.46 120.40 120.65 1kfg s VAL 489 Ca -0.00 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1kfg s VAL 489 Cb -0.01 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.63 1kfg s VAL 489 CO -0.08 0.25 0.15 0.42 0.00 0.00 0.00 175.10 175.84 1kfg s THR 490 N -0.44 2.46 -0.51 3.92 -4.23 0.29 -4.94 115.64 112.18 1kfg s THR 490 Ca 0.50 -2.77 0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1kfg s THR 490 Cb -0.33 -2.76 0.56 0.00 1.34 0.00 0.00 72.50 71.31 1kfg s THR 490 CO 0.39 -0.69 1.47 -0.90 -0.54 0.00 0.00 174.62 174.35 1kfg n ASP 491 N 3.76 4.11 -2.19 3.99 5.75 -1.25 -3.72 116.55 127.00 1kfg n ASP 491 Ca 0.04 -2.70 -0.03 0.00 -0.01 0.00 0.00 54.79 52.10 1kfg n ASP 491 Cb 0.38 -0.51 0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1kfg n ASP 491 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1kfg n LYS 492 N 0.15 1.66 -3.38 0.11 5.02 -1.26 -0.32 118.16 120.13 1kfg n LYS 492 Ca 0.21 -3.26 -0.38 0.00 -2.02 0.00 0.00 58.31 52.86 1kfg n LYS 492 Cb 0.84 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 1kfg n LYS 492 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kfg s ILE 493 N -3.02 4.88 0.15 -0.18 -1.09 -1.26 -0.24 121.20 120.43 1kfg s ILE 493 Ca 0.34 0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 59.62 1kfg s ILE 493 Cb 0.36 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1kfg s ILE 493 CO -0.06 0.49 0.33 -0.94 -1.23 0.00 0.00 174.94 173.53 1kfg s SER 494 N -1.25 -0.04 0.08 3.58 1.04 -0.59 -0.41 113.70 116.11 1kfg s SER 494 Ca 0.29 -0.66 -0.06 0.00 0.48 0.00 0.00 55.95 56.00 1kfg s SER 494 Cb -0.17 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 1kfg s SER 494 CO 0.17 -0.88 0.11 0.72 0.98 0.00 0.00 173.24 174.34 1kfg s PHE 495 N -3.90 0.35 -0.04 5.02 -0.12 0.12 -0.09 117.98 119.32 1kfg s PHE 495 Ca 0.11 -0.81 0.05 0.00 -0.05 0.00 0.00 56.93 56.22 1kfg s PHE 495 Cb 0.03 -0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1kfg s PHE 495 CO -0.05 -0.50 -0.18 0.15 -0.05 0.00 0.00 175.22 174.59 1kfg s LYS 496 N -3.90 1.82 -0.30 1.99 1.02 -0.78 -0.95 119.74 118.64 1kfg s LYS 496 Ca 0.08 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.39 1kfg s LYS 496 Cb 0.06 -1.59 0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1kfg s LYS 496 CO -0.09 0.27 0.04 -0.47 -0.92 0.00 0.00 175.35 174.18 1kfg s TYR 497 N -0.02 3.18 -0.00 3.18 5.04 -0.55 -3.72 117.35 124.46 1kfg s TYR 497 Ca -0.03 -1.38 -0.16 0.00 -2.44 0.00 0.00 57.07 53.07 1kfg s TYR 497 Cb -0.11 -2.19 -0.06 0.00 0.35 0.00 0.00 41.96 39.95 1kfg s TYR 497 CO 0.02 -0.69 0.44 -0.06 -1.34 0.00 0.00 175.55 173.92 1kfg s PHE 498 N 1.39 3.71 0.07 4.97 0.40 -1.26 -1.56 117.98 125.71 1kfg s PHE 498 Ca -0.00 1.02 0.04 0.00 -0.60 0.00 0.00 56.93 57.38 1kfg s PHE 498 Cb -0.18 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1kfg s PHE 498 CO 0.01 0.58 -0.10 -1.64 0.70 0.00 0.00 175.22 174.76 1kfg s MET 499 N -0.88 0.75 -0.37 0.44 -1.94 0.18 -2.10 119.30 115.38 1kfg s MET 499 Ca 0.25 -1.00 -0.13 0.00 -1.71 0.00 0.00 55.69 53.10 1kfg s MET 499 Cb -0.17 -0.52 0.01 0.00 2.01 0.00 0.00 34.83 36.16 1kfg s MET 499 CO 0.14 0.09 0.24 0.34 -0.01 0.00 0.00 175.02 175.82 1kfg s ASP 500 N -2.05 5.93 -0.35 3.03 -1.08 -1.25 -1.14 116.67 119.76 1kfg s ASP 500 Ca -0.01 -0.76 0.08 0.00 -0.52 0.00 0.00 52.55 51.34 1kfg s ASP 500 Cb -0.06 -2.10 0.61 0.00 -1.46 0.00 0.00 42.92 39.91 1kfg s ASP 500 CO 0.00 -0.35 1.70 0.18 0.52 0.00 0.00 175.17 177.22 1kfg n LEU 501 N 5.08 5.45 -0.32 -1.34 4.77 -0.23 -4.61 117.00 125.81 1kfg n LEU 501 Ca -0.12 -3.56 0.06 0.00 -0.03 0.00 0.00 56.01 52.36 1kfg n LEU 501 Cb 0.48 -0.73 0.26 0.00 -2.33 0.00 0.00 43.42 41.10 1kfg n LEU 501 CO 0.38 1.06 1.24 0.77 -1.33 0.00 0.00 177.39 179.51 1kfg h SER 502 N 1.36 0.88 0.35 -1.43 4.64 -1.91 -1.02 113.55 116.41 1kfg h SER 502 Ca 0.37 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 1kfg h SER 502 Cb 2.23 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 64.15 1kfg h SER 502 CO 0.71 0.52 -0.22 1.05 -0.87 0.00 0.00 176.83 178.03 1kfg h GLU 503 N 0.98 0.00 0.00 4.77 9.09 -1.92 -0.87 114.58 126.63 1kfg h GLU 503 Ca 0.43 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.71 1kfg h GLU 503 Cb 0.36 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.47 1kfg h GLU 503 CO -0.19 0.22 -0.50 0.82 0.05 0.00 0.00 179.01 179.41 1kfg h ILE 504 N 0.00 1.47 -0.41 -1.06 1.08 -1.55 -2.34 117.51 114.69 1kfg h ILE 504 Ca -0.00 -2.05 0.01 0.00 -0.39 0.00 0.00 64.86 62.43 1kfg h ILE 504 Cb 0.45 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.84 1kfg h ILE 504 CO 0.03 0.59 0.26 0.58 -0.69 0.00 0.00 178.15 178.91 1kfg h VAL 505 N -0.23 1.08 0.00 1.67 2.07 -1.17 -1.56 116.25 118.10 1kfg h VAL 505 Ca -0.06 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1kfg h VAL 505 Cb 1.23 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1kfg h VAL 505 CO 0.10 0.10 -0.15 0.00 0.02 0.00 0.00 177.57 177.64 1kfg h ALA 506 N 1.17 1.41 -0.00 1.67 0.00 -1.19 -0.91 119.26 121.41 1kfg h ALA 506 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kfg h ALA 506 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kfg h ALA 506 CO -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1kfg n ALA 507 N -2.35 2.61 -2.02 0.00 0.00 -0.88 -4.89 120.51 112.98 1kfg n ALA 507 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1kfg n ALA 507 Cb 0.24 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1kfg n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfg n GLY 508 N 1.17 0.49 3.36 0.00 0.00 -0.35 -5.06 105.19 104.80 1kfg n GLY 508 Ca 0.18 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1kfg n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfg s ILE 509 N -2.13 2.58 -0.21 -0.61 -1.09 -0.64 -5.04 121.20 114.05 1kfg s ILE 509 Ca 0.00 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 1kfg s ILE 509 Cb 0.00 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1kfg s ILE 509 CO 0.00 0.57 2.00 -0.62 -1.23 0.00 0.00 174.94 175.66 1kfg s ASP 510 N -0.31 5.82 0.53 3.58 2.15 -1.26 -3.83 116.67 123.35 1kfg s ASP 510 Ca 0.02 1.81 0.19 0.00 0.43 0.00 0.00 52.55 54.99 1kfg s ASP 510 Cb -0.13 -2.52 1.38 0.00 -0.30 0.00 0.00 42.92 41.35 1kfg s ASP 510 CO 0.02 -1.68 2.17 1.55 -0.17 0.00 0.00 175.17 177.06 1kfg h PRO 511 N 13.33 0.00 0.00 4.34 0.13 -1.92 -0.05 132.00 147.83 1kfg h PRO 511 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1kfg h PRO 511 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1kfg h PRO 511 CO 0.98 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.03 1kfg n LEU 512 N -4.40 0.00 -0.07 1.56 4.77 -1.26 -3.25 117.00 114.35 1kfg n LEU 512 Ca -0.03 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1kfg n LEU 512 Cb 0.10 -0.07 0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1kfg n LEU 512 CO 0.33 -0.00 0.28 -1.54 -1.33 0.00 0.00 177.39 175.13 1kfg n SER 513 N -1.07 0.87 -4.75 -1.43 3.41 -0.03 -4.57 113.62 106.05 1kfg n SER 513 Ca 0.21 -0.70 -0.42 0.00 -0.26 0.00 0.00 58.87 57.70 1kfg n SER 513 Cb 0.14 0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 1kfg n SER 513 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kfg n LEU 514 N -1.28 4.41 -4.68 1.04 4.77 -1.20 -4.94 117.00 115.13 1kfg n LEU 514 Ca 0.06 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.79 1kfg n LEU 514 Cb 0.35 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 39.82 1kfg n LEU 514 CO 0.36 0.12 0.95 -0.69 -1.33 0.00 0.00 177.39 176.79 1kfg s VAL 515 N -0.34 4.43 0.02 4.08 1.01 -1.21 -4.40 120.40 123.99 1kfg s VAL 515 Ca 0.61 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.35 1kfg s VAL 515 Cb -0.50 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1kfg s VAL 515 CO 0.53 -0.06 -0.05 0.42 0.00 0.00 0.00 175.10 175.94 1kfg s THR 516 N 2.60 3.75 0.23 3.92 -4.23 -1.26 -1.65 115.64 119.01 1kfg s THR 516 Ca 0.52 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 60.05 1kfg s THR 516 Cb -0.21 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 70.97 1kfg s THR 516 CO 0.17 0.33 0.55 -0.94 -0.54 0.00 0.00 174.62 174.19 1kfg s SER 517 N -1.62 -0.19 -0.14 3.99 1.04 -0.66 -4.98 113.70 111.14 1kfg s SER 517 Ca 0.19 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 1kfg s SER 517 Cb -0.11 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1kfg s SER 517 CO 0.10 -1.15 -0.01 -0.55 0.98 0.00 0.00 173.24 172.61 1kfg s SER 518 N -2.94 2.38 0.21 7.02 0.15 -1.26 -0.76 113.70 118.49 1kfg s SER 518 Ca 0.15 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.34 1kfg s SER 518 Cb -0.02 -0.64 0.15 0.00 -1.71 0.00 0.00 66.02 63.80 1kfg s SER 518 CO 0.04 -0.22 1.49 -1.13 1.20 0.00 0.00 173.24 174.61 1kfg h ASN 519 N 8.24 0.31 -4.88 5.45 -1.24 -1.94 -3.47 115.58 118.04 1kfg h ASN 519 Ca -0.20 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.56 1kfg h ASN 519 Cb 1.12 -0.09 -0.19 0.00 0.73 0.00 0.00 38.32 39.89 1kfg h ASN 519 CO 0.33 0.91 0.22 -0.47 -1.29 0.00 0.00 177.43 177.13 1kfg s TYR 520 N -3.59 -0.64 -0.08 0.67 5.04 -1.26 -5.04 117.35 112.45 1kfg s TYR 520 Ca -0.04 1.12 -0.30 0.00 -2.44 0.00 0.00 57.07 55.42 1kfg s TYR 520 Cb 0.11 0.41 0.11 0.00 0.35 0.00 0.00 41.96 42.94 1kfg s TYR 520 CO 0.81 -0.58 0.95 -1.54 -1.34 0.00 0.00 175.55 173.86 1kfg s SER 521 N -1.11 -0.35 -0.09 4.32 1.04 -1.26 -0.50 113.70 115.74 1kfg s SER 521 Ca -0.10 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 1kfg s SER 521 Cb -0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1kfg s SER 521 CO 0.09 -0.49 0.04 -1.61 0.98 0.00 0.00 173.24 172.25 1kfg s GLU 522 N -2.31 3.09 0.00 4.02 2.02 -0.38 -4.99 118.70 120.16 1kfg s GLU 522 Ca 0.03 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1kfg s GLU 522 Cb -0.01 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1kfg s GLU 522 CO -0.05 0.72 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1kfg n GLY 523 N 2.09 1.40 0.33 -1.39 0.00 -1.26 -4.67 105.19 101.69 1kfg n GLY 523 Ca -0.19 -1.22 0.20 0.00 0.00 0.00 0.00 46.02 44.82 1kfg n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfg h LYS 524 N 0.00 0.00 0.00 1.61 6.56 -1.98 -2.94 116.57 119.82 1kfg h LYS 524 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1kfg h LYS 524 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1kfg h LYS 524 CO 0.00 0.00 -1.00 0.09 -2.06 0.00 0.00 179.45 176.48 1kfg n ASN 525 N -3.31 0.81 -4.65 0.86 3.02 -1.26 -4.98 115.26 105.75 1kfg n ASN 525 Ca -0.03 -0.73 -0.48 0.00 -0.03 0.00 0.00 54.58 53.31 1kfg n ASN 525 Cb 0.08 0.94 -0.05 0.00 -0.61 0.00 0.00 39.78 40.14 1kfg n ASN 525 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1kfg n THR 526 N -1.60 0.08 -4.14 3.41 5.66 -1.11 -4.77 114.28 111.81 1kfg n THR 526 Ca 0.03 -0.02 -0.23 0.00 -3.05 0.00 0.00 64.05 60.79 1kfg n THR 526 Cb 0.36 -1.40 -0.17 0.00 -1.55 0.00 0.00 70.33 67.57 1kfg n THR 526 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1kfg s LYS 527 N 1.31 1.10 -0.26 1.09 1.02 -0.37 -4.98 119.74 118.65 1kfg s LYS 527 Ca 0.83 -0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.57 1kfg s LYS 527 Cb -0.76 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1kfg s LYS 527 CO 0.43 -0.13 0.11 0.08 -0.92 0.00 0.00 175.35 174.92 1kfg s VAL 528 N 1.18 4.69 0.94 3.17 1.01 -1.26 -0.78 120.40 129.35 1kfg s VAL 528 Ca -0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1kfg s VAL 528 Cb -0.14 -3.20 0.16 0.00 0.00 0.00 0.00 36.38 33.20 1kfg s VAL 528 CO -0.02 0.32 1.16 -0.94 0.00 0.00 0.00 175.10 175.62 1kfg s SER 529 N 1.59 3.24 0.97 3.32 1.04 0.22 -4.95 113.70 119.13 1kfg s SER 529 Ca 0.06 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.23 1kfg s SER 529 Cb -0.15 -1.30 0.15 0.00 0.10 0.00 0.00 66.02 64.81 1kfg s SER 529 CO 0.06 -2.71 0.86 0.61 0.98 0.00 0.00 173.24 173.05 1kfg n GLY 530 N -2.32 -1.24 3.73 7.32 0.00 -1.26 -4.66 105.19 106.75 1kfg n GLY 530 Ca 0.08 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1kfg n GLY 530 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 531 N -2.86 3.15 0.09 1.61 1.01 -1.26 -4.53 120.40 117.62 1kfg s VAL 531 Ca 0.49 0.90 0.09 0.00 0.00 0.00 0.00 61.98 63.46 1kfg s VAL 531 Cb -0.01 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1kfg s VAL 531 CO 0.35 0.11 -0.23 -0.76 0.00 0.00 0.00 175.10 174.57 1kfg s LEU 532 N 0.37 2.26 0.34 3.92 1.43 0.56 -4.78 118.68 122.78 1kfg s LEU 532 Ca 0.60 -0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 1kfg s LEU 532 Cb -0.38 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.73 1kfg s LEU 532 CO 0.35 0.13 0.99 -2.16 0.23 0.00 0.00 176.35 175.89 1kfg s PRO 533 N -1.71 4.49 0.03 1.29 0.04 -1.26 -0.25 135.00 137.64 1kfg s PRO 533 Ca 0.09 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1kfg s PRO 533 Cb -0.10 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1kfg s PRO 533 CO 0.04 0.17 -0.04 1.87 0.04 0.00 0.00 177.00 179.08 1kfg n TRP 534 N 0.48 0.00 -3.38 0.56 -0.00 -0.44 -4.82 117.44 109.84 1kfg n TRP 534 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.26 1kfg n TRP 534 Cb 0.49 -0.07 -0.10 0.00 -0.00 0.00 0.00 31.31 31.63 1kfg n TRP 534 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1kfg s ASP 535 N -5.74 1.55 0.23 5.87 3.68 -0.64 -5.02 116.67 116.60 1kfg s ASP 535 Ca -0.04 -2.84 -0.06 0.00 2.13 0.00 0.00 52.55 51.75 1kfg s ASP 535 Cb 0.01 -0.32 0.38 0.00 -1.45 0.00 0.00 42.92 41.54 1kfg s ASP 535 CO 0.05 -0.19 1.78 -0.37 0.13 0.00 0.00 175.17 176.57 1kfg h VAL 536 N 4.72 0.85 -0.23 1.11 -1.51 -1.92 -0.93 116.25 118.33 1kfg h VAL 536 Ca 0.22 -0.22 0.07 0.00 -1.23 0.00 0.00 66.70 65.54 1kfg h VAL 536 Cb 0.93 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1kfg h VAL 536 CO 0.33 0.12 0.30 0.77 -1.23 0.00 0.00 177.57 177.86 1kfg h SER 537 N 0.65 0.00 -0.22 4.19 4.64 -1.95 0.18 113.55 121.04 1kfg h SER 537 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1kfg h SER 537 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1kfg h SER 537 CO -0.28 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.27 1kfg n ASN 538 N -3.60 3.36 -2.53 4.97 3.02 -0.44 -4.98 115.26 115.06 1kfg n ASN 538 Ca 0.03 -2.79 -0.18 0.00 -0.03 0.00 0.00 54.58 51.60 1kfg n ASN 538 Cb 0.43 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1kfg n ASN 538 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1kfg n ASN 539 N -0.48 -5.20 -4.66 6.41 4.13 0.63 -4.89 115.26 111.21 1kfg n ASN 539 Ca 0.18 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.07 1kfg n ASN 539 Cb 0.73 -4.33 -0.09 0.00 -1.54 0.00 0.00 39.78 34.55 1kfg n ASN 539 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1kfg s VAL 540 N -2.92 5.29 0.35 2.41 1.01 -0.66 -1.07 120.40 124.82 1kfg s VAL 540 Ca 0.05 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1kfg s VAL 540 Cb -0.03 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1kfg s VAL 540 CO 0.07 0.30 0.09 -0.31 0.00 0.00 0.00 175.10 175.25 1kfg s TYR 541 N 1.25 1.82 0.22 5.22 1.51 -0.29 -1.32 117.35 125.75 1kfg s TYR 541 Ca 0.12 -1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 54.88 1kfg s TYR 541 Cb -0.14 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1kfg s TYR 541 CO 0.06 -0.18 0.53 1.52 -1.11 0.00 0.00 175.55 176.37 1kfg s TYR 542 N -3.34 0.01 -0.10 2.71 -0.85 0.66 -0.65 117.35 115.79 1kfg s TYR 542 Ca 0.32 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.52 1kfg s TYR 542 Cb 0.06 0.37 -0.01 0.00 0.38 0.00 0.00 41.96 42.76 1kfg s TYR 542 CO 0.15 -0.97 -0.18 0.08 -1.52 0.00 0.00 175.55 173.11 1kfg s VAL 543 N -3.92 2.64 -0.20 -3.49 1.01 -0.60 -0.32 120.40 115.52 1kfg s VAL 543 Ca 0.13 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1kfg s VAL 543 Cb -0.01 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1kfg s VAL 543 CO 0.01 0.55 0.10 0.21 0.00 0.00 0.00 175.10 175.98 1kfg s ASN 544 N 0.09 5.96 -0.25 3.32 3.84 -1.26 -1.48 114.94 125.16 1kfg s ASN 544 Ca -0.08 0.16 -0.00 0.00 0.21 0.00 0.00 52.86 53.14 1kfg s ASN 544 Cb -0.15 -2.04 0.04 0.00 -0.55 0.00 0.00 41.25 38.55 1kfg s ASN 544 CO 0.05 0.17 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.76 1kfg s VAL 545 N 0.43 2.66 -0.19 -5.21 1.01 -0.12 -0.61 120.40 118.36 1kfg s VAL 545 Ca 0.06 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1kfg s VAL 545 Cb -0.12 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1kfg s VAL 545 CO -0.01 0.13 0.11 -0.62 0.00 0.00 0.00 175.10 174.71 1kfg s ASP 546 N 1.26 6.00 -0.00 3.32 -1.08 0.04 -0.70 116.67 125.50 1kfg s ASP 546 Ca -0.02 0.18 0.05 0.00 -0.52 0.00 0.00 52.55 52.24 1kfg s ASP 546 Cb -0.18 -2.04 0.14 0.00 -1.46 0.00 0.00 42.92 39.39 1kfg s ASP 546 CO -0.05 0.19 1.12 0.18 0.52 0.00 0.00 175.17 177.12 1kfg n LEU 547 N 3.48 2.43 -4.63 -1.34 4.77 0.45 -1.23 117.00 120.92 1kfg n LEU 547 Ca -0.16 -2.03 -0.47 0.00 -0.03 0.00 0.00 56.01 53.32 1kfg n LEU 547 Cb 0.52 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1kfg n LEU 547 CO 0.36 0.60 0.88 0.41 -1.33 0.00 0.00 177.39 178.32 1kfg n THR 548 N -0.08 0.92 0.00 -5.08 -1.04 -1.18 -0.89 114.28 106.92 1kfg n THR 548 Ca 0.05 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1kfg n THR 548 Cb 0.34 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 1kfg n THR 548 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kfg n GLY 549 N 2.11 3.38 3.70 3.41 0.00 0.56 -4.80 105.19 113.55 1kfg n GLY 549 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1kfg n GLY 549 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfg s GLU 550 N -0.79 4.45 -1.20 1.61 0.41 -0.07 -4.95 118.70 118.16 1kfg s GLU 550 Ca 0.00 1.51 -0.13 0.00 -0.41 0.00 0.00 54.97 55.94 1kfg s GLU 550 Cb 0.00 -3.50 0.18 0.00 -1.78 0.00 0.00 34.13 29.04 1kfg s GLU 550 CO 0.00 -0.26 1.42 0.09 -0.49 0.00 0.00 175.26 176.02 1kfg n ASN 551 N 4.58 5.26 -4.71 -0.19 3.02 -1.26 -3.88 115.26 118.08 1kfg n ASN 551 Ca 0.08 -2.99 -0.40 0.00 -0.03 0.00 0.00 54.58 51.25 1kfg n ASN 551 Cb 0.48 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.06 1kfg n ASN 551 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kfg s ILE 552 N 1.22 5.05 0.02 2.41 1.01 -1.24 -4.94 121.20 124.73 1kfg s ILE 552 Ca 0.42 1.40 -0.09 0.00 0.00 0.00 0.00 60.65 62.38 1kfg s ILE 552 Cb -0.03 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1kfg s ILE 552 CO -0.01 0.23 0.17 -0.72 0.00 0.00 0.00 174.94 174.62 1kfg s TYR 553 N 0.95 0.05 -1.30 3.97 -0.85 -0.82 -0.55 117.35 118.80 1kfg s TYR 553 Ca 0.36 -0.22 -0.14 0.00 -0.52 0.00 0.00 57.07 56.54 1kfg s TYR 553 Cb -0.17 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 1kfg s TYR 553 CO 0.17 -0.38 2.30 -0.35 -1.52 0.00 0.00 175.55 175.76 1kfg n PRO 554 N 0.96 2.67 -0.88 -3.49 -0.04 -1.26 -1.81 135.00 131.15 1kfg n PRO 554 Ca -0.20 -2.27 0.02 0.00 -0.04 0.00 0.00 63.50 61.01 1kfg n PRO 554 Cb 0.58 -3.05 0.02 0.00 -0.04 0.00 0.00 33.50 31.00 1kfg n PRO 554 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kfg n GLY 555 N 4.06 1.00 0.00 0.55 0.00 -1.09 -4.29 105.19 105.42 1kfg n GLY 555 Ca 0.56 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kfg n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfg n GLY 556 N 0.11 2.70 0.08 -0.02 0.00 -0.83 -4.37 105.19 102.86 1kfg n GLY 556 Ca 0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1kfg n GLY 556 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1kfg h GLN 557 N 0.00 -0.10 -0.20 1.61 1.08 -1.80 -1.10 115.11 114.59 1kfg h GLN 557 Ca 0.00 0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 57.01 1kfg h GLN 557 Cb 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1kfg h GLN 557 CO 0.00 -0.06 -0.67 0.77 -0.95 0.00 0.00 178.83 177.92 1kfg h SER 558 N -0.11 0.89 -0.39 1.46 0.02 -1.95 -3.29 113.55 110.18 1kfg h SER 558 Ca -0.01 -0.53 0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1kfg h SER 558 Cb 0.08 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1kfg h SER 558 CO 0.02 1.32 0.17 0.00 -1.14 0.00 0.00 176.83 177.20 1kfg h ALA 559 N 0.68 0.48 -0.00 3.77 0.00 -1.80 -2.96 119.26 119.42 1kfg h ALA 559 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kfg h ALA 559 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1kfg h ALA 559 CO 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.18 1kfg s ARG 561 N -2.30 1.01 -0.16 0.00 1.70 -1.12 0.09 118.95 118.17 1kfg s ARG 561 Ca 0.38 -1.45 -0.04 0.00 -0.47 0.00 0.00 55.73 54.15 1kfg s ARG 561 Cb 0.21 -0.40 0.08 0.00 -0.57 0.00 0.00 34.95 34.27 1kfg s ARG 561 CO 0.42 -0.01 0.26 1.03 -1.08 0.00 0.00 175.30 175.92 1kfg s ARG 562 N -3.82 0.18 0.03 3.89 1.81 -0.85 -4.91 118.95 115.27 1kfg s ARG 562 Ca 0.17 0.58 -0.15 0.00 -1.72 0.00 0.00 55.73 54.61 1kfg s ARG 562 Cb 0.04 -0.41 -0.06 0.00 -0.45 0.00 0.00 34.95 34.08 1kfg s ARG 562 CO 0.00 -0.43 0.45 -2.00 -0.68 0.00 0.00 175.30 172.64 1kfg s GLU 563 N 2.41 3.97 -0.05 3.54 2.12 -1.26 -1.72 118.70 127.70 1kfg s GLU 563 Ca 0.04 0.47 -0.02 0.00 0.36 0.00 0.00 54.97 55.82 1kfg s GLU 563 Cb -0.13 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.10 1kfg s GLU 563 CO -0.10 0.66 0.09 0.08 -0.54 0.00 0.00 175.26 175.45 1kfg s VAL 564 N -1.13 -0.13 -0.18 3.70 1.01 0.10 -1.24 120.40 122.53 1kfg s VAL 564 Ca 0.26 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 1kfg s VAL 564 Cb -0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1kfg s VAL 564 CO 0.15 0.13 0.03 -1.10 0.00 0.00 0.00 175.10 174.32 1kfg s GLN 565 N 1.79 3.84 0.03 2.72 -0.21 0.34 -0.94 119.66 127.24 1kfg s GLN 565 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1kfg s GLN 565 Cb -0.12 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 1kfg s GLN 565 CO -0.04 0.21 -0.04 -0.59 -2.12 0.00 0.00 175.29 172.71 1kfg s PHE 566 N 0.51 0.39 0.05 0.91 -0.12 -0.37 -3.39 117.98 115.95 1kfg s PHE 566 Ca 0.01 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.32 1kfg s PHE 566 Cb -0.13 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 41.97 1kfg s PHE 566 CO 0.01 -0.20 -0.12 0.50 -0.05 0.00 0.00 175.22 175.37 1kfg s ARG 567 N -1.91 0.74 -0.08 1.99 3.52 0.06 0.04 118.95 123.31 1kfg s ARG 567 Ca -0.11 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 1kfg s ARG 567 Cb -0.07 -0.68 0.01 0.00 -1.56 0.00 0.00 34.95 32.66 1kfg s ARG 567 CO -0.02 0.15 -0.13 0.42 -0.81 0.00 0.00 175.30 174.92 1kfg s ILE 568 N -1.11 1.24 0.02 4.11 1.09 -0.79 -1.66 121.20 124.10 1kfg s ILE 568 Ca -0.03 -0.51 0.06 0.00 -1.10 0.00 0.00 60.65 59.07 1kfg s ILE 568 Cb -0.09 -1.15 -0.02 0.00 -1.06 0.00 0.00 42.46 40.15 1kfg s ILE 568 CO 0.01 0.38 -0.17 0.00 -0.10 0.00 0.00 174.94 175.07 1kfg s ALA 569 N 0.89 1.41 0.75 9.38 0.00 -0.66 -2.28 121.76 131.25 1kfg s ALA 569 Ca -0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1kfg s ALA 569 Cb -0.15 -0.30 0.11 0.00 0.00 0.00 0.00 23.12 22.78 1kfg s ALA 569 CO 0.01 0.32 1.05 0.00 0.00 0.00 0.00 175.76 177.13 1kfg s ALA 570 N -0.63 3.21 0.47 0.00 0.00 0.23 -3.32 121.76 121.72 1kfg s ALA 570 Ca 0.05 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 1kfg s ALA 570 Cb -0.07 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.57 1kfg s ALA 570 CO 0.01 -1.53 1.24 -2.30 0.00 0.00 0.00 175.76 173.18 1kfg n PRO 571 N -3.01 1.73 -1.68 0.00 -0.02 -1.26 -4.87 135.00 125.90 1kfg n PRO 571 Ca 0.12 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 1kfg n PRO 571 Cb 0.60 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1kfg n PRO 571 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1kfg n GLN 572 N -0.30 1.98 0.00 -0.52 7.27 -1.26 -2.05 117.38 122.50 1kfg n GLN 572 Ca 0.08 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.85 1kfg n GLN 572 Cb 0.42 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.81 1kfg n GLN 572 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1kfg n GLY 573 N 1.06 2.65 3.91 1.69 0.00 -1.26 -5.03 105.19 108.21 1kfg n GLY 573 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1kfg n GLY 573 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfg s THR 574 N -2.77 4.52 -0.05 2.61 -4.23 -0.87 -5.03 115.64 109.81 1kfg s THR 574 Ca 0.00 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 1kfg s THR 574 Cb 0.00 -3.73 0.12 0.00 1.34 0.00 0.00 72.50 70.22 1kfg s THR 574 CO 0.00 -0.72 1.06 0.35 -0.54 0.00 0.00 174.62 174.77 1kfg n THR 575 N -2.35 0.70 0.84 3.99 -2.24 -1.26 -3.84 114.28 110.12 1kfg n THR 575 Ca 0.02 -0.87 0.11 0.00 -2.27 0.00 0.00 64.05 61.04 1kfg n THR 575 Cb 0.56 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1kfg n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfg n TYR 576 N -0.52 0.07 -1.63 4.78 0.18 -1.26 -4.93 117.16 113.85 1kfg n TYR 576 Ca 0.06 0.02 -0.52 0.00 1.88 0.00 0.00 57.90 59.34 1kfg n TYR 576 Cb 0.69 -0.21 -0.06 0.00 -0.38 0.00 0.00 39.34 39.38 1kfg n TYR 576 CO 0.00 0.00 0.00 1.87 -2.08 0.00 0.00 176.86 176.65 1kfg n TRP 577 N -1.66 1.79 -3.81 -3.48 -0.00 -1.26 -4.87 117.44 104.15 1kfg n TRP 577 Ca 0.03 0.51 -0.30 0.00 -0.00 0.00 0.00 57.50 57.75 1kfg n TRP 577 Cb 0.37 -2.41 -0.15 0.00 -0.00 0.00 0.00 31.31 29.12 1kfg n TRP 577 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1kfg s ASN 578 N 1.33 4.20 0.20 5.87 2.47 -1.26 -4.92 114.94 122.84 1kfg s ASN 578 Ca 0.86 -1.75 0.25 0.00 0.42 0.00 0.00 52.86 52.65 1kfg s ASN 578 Cb -0.91 -1.06 0.88 0.00 -1.45 0.00 0.00 41.25 38.71 1kfg s ASN 578 CO 0.49 -0.40 1.76 -0.81 -3.72 0.00 0.00 177.10 174.42 1kfg n PRO 579 N 4.69 0.22 0.29 0.43 -0.04 -1.26 -3.68 135.00 135.65 1kfg n PRO 579 Ca -0.01 0.26 0.19 0.00 -0.04 0.00 0.00 63.50 63.90 1kfg n PRO 579 Cb 0.42 -1.79 0.88 0.00 -0.04 0.00 0.00 33.50 32.97 1kfg n PRO 579 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kfg h LYS 580 N 0.00 0.00 -0.53 0.54 1.79 -1.96 -1.70 116.57 114.71 1kfg h LYS 580 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1kfg h LYS 580 Cb 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1kfg h LYS 580 CO 0.00 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 178.64 1kfg n ASN 581 N -2.99 4.27 -4.68 0.86 6.94 -1.24 -4.87 115.26 113.55 1kfg n ASN 581 Ca -0.01 -2.44 -0.39 0.00 -0.02 0.00 0.00 54.58 51.72 1kfg n ASN 581 Cb 0.20 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.05 1kfg n ASN 581 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1kfg s ASP 582 N -1.10 6.69 0.18 0.53 1.01 -0.64 -3.89 116.67 119.46 1kfg s ASP 582 Ca 0.45 0.84 -0.18 0.00 0.71 0.00 0.00 52.55 54.36 1kfg s ASP 582 Cb 0.29 -2.33 0.12 0.00 1.01 0.00 0.00 42.92 42.01 1kfg s ASP 582 CO 0.21 -0.17 1.63 0.15 0.21 0.00 0.00 175.17 177.20 1kfg h PHE 583 N 7.22 -0.46 0.00 4.23 3.57 -1.86 -1.70 116.94 127.93 1kfg h PHE 583 Ca -0.35 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1kfg h PHE 583 Cb 1.16 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1kfg h PHE 583 CO 0.68 -0.27 0.00 0.43 -2.23 0.00 0.00 178.31 176.92 1kfg n SER 584 N -5.38 0.00 0.03 0.41 7.64 -0.89 -2.92 113.62 112.51 1kfg n SER 584 Ca 0.03 0.34 0.03 0.00 1.01 0.00 0.00 58.87 60.28 1kfg n SER 584 Cb 0.29 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 1kfg n SER 584 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfg n TYR 585 N -1.43 0.75 -1.68 1.43 9.36 -0.65 -4.69 117.16 120.25 1kfg n TYR 585 Ca 0.06 0.24 -0.46 0.00 3.32 0.00 0.00 57.90 61.06 1kfg n TYR 585 Cb 0.18 -0.97 -0.04 0.00 -0.63 0.00 0.00 39.34 37.88 1kfg n TYR 585 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1kfg n ASP 586 N -2.74 3.51 0.00 2.98 4.64 -1.15 -1.23 116.55 122.56 1kfg n ASP 586 Ca -0.09 1.01 0.00 0.00 -1.38 0.00 0.00 54.79 54.32 1kfg n ASP 586 Cb 0.77 -1.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.42 1kfg n ASP 586 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1kfg n GLY 587 N 4.07 0.41 3.61 0.27 0.00 -1.26 -4.92 105.19 107.36 1kfg n GLY 587 Ca 0.20 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.71 1kfg n GLY 587 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kfg n LEU 588 N 0.00 1.98 -4.67 0.99 7.94 -0.37 -4.80 117.00 118.07 1kfg n LEU 588 Ca 0.00 1.11 -0.47 0.00 -1.11 0.00 0.00 56.01 55.55 1kfg n LEU 588 Cb 0.01 -1.25 -0.04 0.00 0.53 0.00 0.00 43.42 42.66 1kfg n LEU 588 CO 0.00 -0.89 1.26 -2.65 -1.11 0.00 0.00 177.39 174.00 1kfg n PRO 589 N 2.64 2.12 -1.23 1.96 -0.02 -1.26 -4.85 135.00 134.36 1kfg n PRO 589 Ca 0.18 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.12 1kfg n PRO 589 Cb 0.22 -2.55 0.12 0.00 -0.02 0.00 0.00 33.50 31.27 1kfg n PRO 589 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1kfg s THR 590 N 1.69 2.87 0.43 3.45 2.01 -1.26 -1.47 115.64 123.36 1kfg s THR 590 Ca 0.82 0.28 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1kfg s THR 590 Cb -0.69 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1kfg s THR 590 CO 0.42 -0.37 0.00 0.35 -0.69 0.00 0.00 174.62 174.33 1kfg n THR 591 N -3.76 -0.38 1.69 -0.82 -2.24 -1.25 -4.37 114.28 103.15 1kfg n THR 591 Ca 0.08 0.56 0.07 0.00 -2.27 0.00 0.00 64.05 62.49 1kfg n THR 591 Cb 0.55 -0.93 0.34 0.00 -2.10 0.00 0.00 70.33 68.18 1kfg n THR 591 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1kfg n SER 592 N -3.84 0.61 -4.56 3.42 2.88 -0.98 -2.08 113.62 109.06 1kfg n SER 592 Ca -0.05 -1.68 -0.36 0.00 -1.33 0.00 0.00 58.87 55.44 1kfg n SER 592 Cb 0.52 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1kfg n SER 592 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1kfg s THR 593 N -1.90 3.79 0.48 2.46 2.01 -1.26 -4.77 115.64 116.45 1kfg s THR 593 Ca 0.22 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1kfg s THR 593 Cb 0.11 -4.75 -0.08 0.00 0.01 0.00 0.00 72.50 67.79 1kfg s THR 593 CO 0.17 -1.60 1.32 1.33 -0.69 0.00 0.00 174.62 175.15 1kfg n VAL 594 N 7.16 3.08 -4.10 3.82 0.24 -1.26 -4.83 118.33 122.44 1kfg n VAL 594 Ca 0.38 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1kfg n VAL 594 Cb 0.49 -1.65 -0.11 0.00 -1.47 0.00 0.00 33.84 31.10 1kfg n VAL 594 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1kfg s ASN 595 N -0.67 1.00 0.26 -1.34 0.02 -0.89 -4.80 114.94 108.51 1kfg s ASN 595 Ca 0.65 -0.70 -0.31 0.00 -1.02 0.00 0.00 52.86 51.48 1kfg s ASN 595 Cb -0.46 0.05 -0.12 0.00 0.02 0.00 0.00 41.25 40.74 1kfg s ASN 595 CO 0.55 -0.28 1.56 0.41 0.02 0.00 0.00 177.10 179.35 1kfg n THR 596 N 0.97 0.82 -4.31 1.60 -1.04 -1.26 -0.81 114.28 110.25 1kfg n THR 596 Ca -0.19 -0.20 -0.21 0.00 -2.04 0.00 0.00 64.05 61.40 1kfg n THR 596 Cb 0.57 -1.80 -0.11 0.00 -1.82 0.00 0.00 70.33 67.17 1kfg n THR 596 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1kfg s VAL 597 N 0.18 1.69 -0.73 12.58 -7.23 -0.97 -4.85 120.40 121.06 1kfg s VAL 597 Ca 0.67 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 1kfg s VAL 597 Cb -0.55 -1.75 0.11 0.00 0.56 0.00 0.00 36.38 34.75 1kfg s VAL 597 CO 0.46 -0.32 0.91 0.35 -0.31 0.00 0.00 175.10 176.18 1kfg n THR 598 N 0.40 0.43 -0.49 5.32 -2.24 -1.26 -4.60 114.28 111.84 1kfg n THR 598 Ca -0.14 -0.72 0.07 0.00 -2.27 0.00 0.00 64.05 61.00 1kfg n THR 598 Cb 0.57 0.86 0.23 0.00 -2.10 0.00 0.00 70.33 69.89 1kfg n THR 598 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1kfg n ASN 599 N 0.27 3.55 -3.49 3.42 6.94 -1.26 0.41 115.26 125.10 1kfg n ASN 599 Ca 0.05 -2.36 -0.27 0.00 -0.02 0.00 0.00 54.58 51.99 1kfg n ASN 599 Cb 0.25 -0.39 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 1kfg n ASN 599 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1kfg n ILE 600 N 0.38 1.46 -1.61 1.53 5.41 -1.26 -4.13 119.36 121.13 1kfg n ILE 600 Ca 0.17 -4.82 -0.46 0.00 1.00 0.00 0.00 62.75 58.64 1kfg n ILE 600 Cb 0.64 -2.07 -0.02 0.00 -0.71 0.00 0.00 39.64 37.48 1kfg n ILE 600 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1kfg n PRO 601 N 1.33 1.50 -4.32 0.38 -0.04 -1.24 -4.68 135.00 127.91 1kfg n PRO 601 Ca 0.26 0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 63.91 1kfg n PRO 601 Cb 0.42 -2.01 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 1kfg n PRO 601 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kfg s VAL 602 N -0.62 4.27 0.06 0.52 1.01 0.02 -1.87 120.40 123.79 1kfg s VAL 602 Ca 0.64 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.47 1kfg s VAL 602 Cb -0.72 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1kfg s VAL 602 CO 0.56 0.55 -0.23 -0.31 0.00 0.00 0.00 175.10 175.67 1kfg s TYR 603 N -0.34 2.41 -0.27 5.22 1.51 0.87 -0.77 117.35 125.98 1kfg s TYR 603 Ca 0.07 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1kfg s TYR 603 Cb -0.12 -1.39 0.06 0.00 -0.11 0.00 0.00 41.96 40.40 1kfg s TYR 603 CO 0.02 0.21 -0.09 0.34 -1.11 0.00 0.00 175.55 174.92 1kfg s ASP 604 N -1.48 4.49 -1.46 2.29 -1.08 0.83 -1.55 116.67 118.71 1kfg s ASP 604 Ca 0.13 -1.45 -0.11 0.00 -0.52 0.00 0.00 52.55 50.60 1kfg s ASP 604 Cb -0.10 -1.56 0.05 0.00 -1.46 0.00 0.00 42.92 39.85 1kfg s ASP 604 CO 0.04 -0.21 1.06 -3.20 0.52 0.00 0.00 175.17 173.39 1kfg n ASN 605 N 4.42 -5.32 0.00 -0.34 4.05 0.67 -1.70 115.26 117.04 1kfg n ASN 605 Ca -0.13 -0.68 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1kfg n ASN 605 Cb 0.42 -4.37 0.00 0.00 1.23 0.00 0.00 39.78 37.07 1kfg n ASN 605 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1kfg n GLY 606 N -1.81 1.87 3.63 8.20 0.00 -1.26 -5.02 105.19 110.80 1kfg n GLY 606 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1kfg n GLY 606 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfg s VAL 607 N -2.90 5.33 0.15 1.61 1.01 -0.69 -5.00 120.40 119.91 1kfg s VAL 607 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1kfg s VAL 607 Cb 0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1kfg s VAL 607 CO 0.00 0.30 1.69 -0.75 0.00 0.00 0.00 175.10 176.34 1kfg s LYS 608 N 1.37 4.17 0.00 2.72 2.20 -1.26 -0.12 119.74 128.82 1kfg s LYS 608 Ca 0.08 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 1kfg s LYS 608 Cb -0.15 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1kfg s LYS 608 CO 0.07 -0.73 0.00 1.33 -0.36 0.00 0.00 175.35 175.67 1kfg n VAL 609 N 4.29 0.00 -3.78 4.02 0.24 0.05 -4.89 118.33 118.26 1kfg n VAL 609 Ca 0.16 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 1kfg n VAL 609 Cb 0.38 0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 33.19 1kfg n VAL 609 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1kfg s PHE 610 N -1.71 -0.26 0.00 6.34 5.36 -1.11 -4.94 117.98 121.66 1kfg s PHE 610 Ca 0.00 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1kfg s PHE 610 Cb 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 1kfg s PHE 610 CO 0.00 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 1kfg n GLY 611 N 2.60 -2.61 3.32 13.12 0.00 -1.26 -0.80 105.19 119.56 1kfg n GLY 611 Ca -0.15 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 1kfg n GLY 611 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfg s ASN 612 N -2.24 2.37 0.29 1.61 0.01 0.17 -4.86 114.94 112.29 1kfg s ASN 612 Ca 0.00 -1.01 0.07 0.00 -0.71 0.00 0.00 52.86 51.21 1kfg s ASN 612 Cb 0.00 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.53 1kfg s ASN 612 CO 0.00 -0.21 0.25 -1.61 -1.51 0.00 0.00 177.10 174.02 1kfg s GLU 613 N -3.64 2.85 0.00 -0.60 2.02 -1.26 -4.05 118.70 114.01 1kfg s GLU 613 Ca 0.21 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 54.04 1kfg s GLU 613 Cb -0.00 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1kfg s GLU 613 CO 0.05 0.25 0.24 -2.30 0.02 0.00 0.00 175.26 173.52