#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfe n MET 12 N 0.00 0.00 -4.02 -3.83 2.81 -1.26 -5.02 117.12 105.80 3kfe n MET 12 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 3kfe n MET 12 Cb 0.00 -0.03 -0.17 0.00 -0.71 0.00 0.00 33.22 32.31 3kfe n MET 12 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kfe s LYS 13 N -1.92 0.72 -0.00 0.03 1.02 -0.91 -5.07 119.74 113.61 3kfe s LYS 13 Ca 0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 3kfe s LYS 13 Cb 0.00 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 3kfe s LYS 13 CO 0.00 -0.15 0.01 0.50 -0.92 0.00 0.00 175.35 174.78 3kfe s ARG 14 N 1.24 0.00 -0.13 1.68 3.52 -1.26 -1.25 118.95 122.76 3kfe s ARG 14 Ca -0.06 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3kfe s ARG 14 Cb -0.14 -0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.21 3kfe s ARG 14 CO -0.02 -0.02 -0.14 0.71 -0.81 0.00 0.00 175.30 175.03 3kfe s TYR 15 N 0.13 2.80 -0.15 5.12 2.02 -1.18 -4.99 117.35 121.09 3kfe s TYR 15 Ca -0.01 -0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 55.98 3kfe s TYR 15 Cb -0.02 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3kfe s TYR 15 CO -0.00 -0.21 0.08 -1.64 -1.57 0.00 0.00 175.55 172.21 3kfe s MET 16 N 0.31 3.68 2.87 -0.62 -1.94 -1.26 -2.98 119.30 119.36 3kfe s MET 16 Ca -0.11 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 3kfe s MET 16 Cb -0.16 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.52 3kfe s MET 16 CO 0.06 0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.97 3kfe n GLY 17 N 2.86 2.28 0.28 -0.03 0.00 0.07 -0.84 105.19 109.81 3kfe n GLY 17 Ca -0.18 0.40 0.19 0.00 0.00 0.00 0.00 46.02 46.43 3kfe n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfe h ARG 18 N 0.00 0.00 0.09 1.61 3.08 -1.96 -1.42 114.38 115.78 3kfe h ARG 18 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3kfe h ARG 18 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 3kfe h ARG 18 CO 0.00 0.00 -0.66 -0.44 -1.07 0.00 0.00 179.97 177.80 3kfe h ASP 19 N 0.00 0.43 -0.11 7.04 3.32 -1.35 -2.53 116.42 123.22 3kfe h ASP 19 Ca 0.00 -0.90 -0.11 0.00 0.02 0.00 0.00 57.03 56.05 3kfe h ASP 19 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kfe h ASP 19 CO 0.00 1.29 -0.27 0.00 -1.72 0.00 0.00 179.24 178.54 3kfe h ALA 20 N 0.15 1.00 -0.07 3.45 0.00 -1.34 0.13 119.26 122.57 3kfe h ALA 20 Ca -0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kfe h ALA 20 Cb 1.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kfe h ALA 20 CO 0.13 0.59 -0.07 1.96 0.00 0.00 0.00 179.25 181.86 3kfe h GLN 21 N 0.50 0.17 -0.46 0.00 4.20 -1.41 -2.39 115.11 115.72 3kfe h GLN 21 Ca 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3kfe h GLN 21 Cb 0.73 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 3kfe h GLN 21 CO 0.06 0.62 0.24 -0.09 -0.67 0.00 0.00 178.83 178.98 3kfe h ARG 22 N -0.27 0.64 0.16 1.46 2.43 -1.32 0.13 114.38 117.60 3kfe h ARG 22 Ca 0.01 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kfe h ARG 22 Cb 0.59 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3kfe h ARG 22 CO 0.02 0.48 -0.08 1.98 -1.51 0.00 0.00 179.97 180.86 3kfe h MET 23 N 0.64 -0.22 -0.07 0.20 4.05 -0.70 -1.77 114.93 117.05 3kfe h MET 23 Ca 0.16 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.53 3kfe h MET 23 Cb 0.05 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3kfe h MET 23 CO -0.02 -0.14 -0.24 -0.91 0.23 0.00 0.00 176.91 175.82 3kfe h ASN 24 N -0.23 0.34 -0.73 1.39 2.35 -0.86 0.84 115.58 118.68 3kfe h ASN 24 Ca -0.02 -0.61 0.08 0.00 -0.55 0.00 0.00 56.30 55.20 3kfe h ASN 24 Cb 0.18 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 3kfe h ASN 24 CO 0.03 0.89 0.48 0.40 -1.65 0.00 0.00 177.43 177.59 3kfe h ILE 25 N -0.20 0.97 0.03 2.81 2.04 -0.85 0.27 117.51 122.58 3kfe h ILE 25 Ca -0.01 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 3kfe h ILE 25 Cb 0.86 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3kfe h ILE 25 CO 0.05 0.12 -0.43 0.25 0.00 0.00 0.00 178.15 178.15 3kfe h LEU 26 N 0.68 0.32 -1.61 1.44 6.46 -1.20 -2.00 115.31 119.41 3kfe h LEU 26 Ca 0.33 -0.84 0.09 0.00 -0.12 0.00 0.00 57.88 57.34 3kfe h LEU 26 Cb 0.39 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 3kfe h LEU 26 CO -0.11 1.13 0.41 0.00 -0.62 0.00 0.00 178.44 179.24 3kfe h ALA 27 N 0.20 1.97 0.34 1.25 0.00 -0.24 -1.09 119.26 121.70 3kfe h ALA 27 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kfe h ALA 27 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kfe h ALA 27 CO 0.08 -0.10 -0.17 0.78 0.00 0.00 0.00 179.25 179.85 3kfe h GLY 28 N 0.45 -0.48 1.64 0.00 0.00 -0.46 -3.18 103.07 101.04 3kfe h GLY 28 Ca 0.28 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.81 3kfe h GLY 28 CO -0.08 -0.18 0.16 3.21 0.00 0.00 0.00 176.54 179.65 3kfe h ARG 29 N -0.78 0.00 0.25 4.80 3.08 -0.44 -2.22 114.38 119.07 3kfe h ARG 29 Ca -0.05 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.66 3kfe h ARG 29 Cb 0.52 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.60 3kfe h ARG 29 CO 0.08 0.00 -1.52 0.82 -1.07 0.00 0.00 179.97 178.28 3kfe h ILE 30 N 0.00 1.23 0.00 2.04 2.04 -1.36 0.91 117.51 122.38 3kfe h ILE 30 Ca 0.03 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.23 3kfe h ILE 30 Cb 0.35 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3kfe h ILE 30 CO -0.00 0.82 0.00 0.16 0.00 0.00 0.00 178.15 179.12 3kfe h ILE 31 N 0.13 0.00 0.14 -0.67 3.07 -1.50 -2.35 117.51 116.34 3kfe h ILE 31 Ca -0.27 -0.74 -0.01 0.00 1.55 0.00 0.00 64.86 65.40 3kfe h ILE 31 Cb 2.15 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 40.42 3kfe h ILE 31 CO 0.26 0.00 -0.07 0.00 -1.05 0.00 0.00 178.15 177.29 3kfe h ALA 32 N 2.12 -0.19 0.00 0.16 0.00 -1.32 -3.15 119.26 116.88 3kfe h ALA 32 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kfe h ALA 32 Cb 0.80 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kfe h ALA 32 CO 0.00 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.25 3kfe n GLU 33 N -4.98 0.01 0.13 0.00 1.02 0.31 -1.63 120.64 115.49 3kfe n GLU 33 Ca -0.09 0.37 0.13 0.00 -0.02 0.00 0.00 57.16 57.55 3kfe n GLU 33 Cb 0.24 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.47 3kfe n GLU 33 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kfe h THR 34 N 0.00 0.00 0.00 2.62 2.02 -1.37 -3.33 112.91 112.85 3kfe h THR 34 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3kfe h THR 34 Cb 0.10 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3kfe h THR 34 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.22 3kfe n VAL 35 N -2.45 0.00 -0.52 3.16 0.24 -0.65 -4.64 118.33 113.48 3kfe n VAL 35 Ca 0.05 -0.41 0.43 0.00 -2.04 0.00 0.00 64.34 62.37 3kfe n VAL 35 Cb 0.46 1.06 0.76 0.00 -1.47 0.00 0.00 33.84 34.66 3kfe n VAL 35 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3kfe h ARG 36 N 0.00 0.03 0.00 7.34 3.08 -1.51 -0.23 114.38 123.09 3kfe h ARG 36 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kfe h ARG 36 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3kfe h ARG 36 CO 0.00 0.02 -0.13 -1.13 -1.07 0.00 0.00 179.97 177.66 3kfe n SER 37 N -4.16 0.17 -0.72 7.04 3.41 -1.26 -3.15 113.62 114.95 3kfe n SER 37 Ca 0.36 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 3kfe n SER 37 Cb 1.61 -0.32 0.25 0.00 -0.26 0.00 0.00 64.21 65.48 3kfe n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kfe n THR 38 N -1.55 0.00 -2.64 6.66 -2.24 -0.10 -1.37 114.28 113.05 3kfe n THR 38 Ca 0.07 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 3kfe n THR 38 Cb 0.35 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 3kfe n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kfe s LEU 39 N -2.07 4.17 0.00 3.22 0.20 -1.19 -4.62 118.68 118.39 3kfe s LEU 39 Ca 0.30 1.48 0.00 0.00 0.69 0.00 0.00 54.13 56.61 3kfe s LEU 39 Cb 0.20 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 3kfe s LEU 39 CO 0.35 -0.60 0.00 0.61 -0.29 0.00 0.00 176.35 176.42 3kfe n GLY 40 N 3.27 0.58 0.26 7.98 0.00 -1.26 -4.11 105.19 111.91 3kfe n GLY 40 Ca 0.11 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 3kfe n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kfe h PRO 41 N 0.00 0.89 -0.98 1.61 0.11 -1.88 -2.70 132.00 129.04 3kfe h PRO 41 Ca 0.00 -0.40 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 3kfe h PRO 41 Cb 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 3kfe h PRO 41 CO 0.00 1.05 0.08 1.63 -0.21 0.00 0.00 178.00 180.55 3kfe n LYS 42 N -4.18 1.28 -3.75 1.05 4.76 -1.26 -4.04 118.16 112.03 3kfe n LYS 42 Ca -0.01 -0.46 -0.26 0.00 -2.87 0.00 0.00 58.31 54.71 3kfe n LYS 42 Cb 0.46 -1.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 3kfe n LYS 42 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfe s GLY 43 N 0.47 1.63 0.31 0.72 0.00 -1.02 -4.08 107.32 105.35 3kfe s GLY 43 Ca 0.08 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 43.92 3kfe s GLY 43 CO 0.02 -0.91 0.44 1.06 0.00 0.00 0.00 173.10 173.70 3kfe s MET 44 N -3.54 3.19 0.09 2.90 -1.94 -0.47 -4.80 119.30 114.74 3kfe s MET 44 Ca 0.37 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 3kfe s MET 44 Cb -0.10 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 3kfe s MET 44 CO 0.30 0.16 0.19 -0.51 -0.01 0.00 0.00 175.02 175.15 3kfe s ASP 45 N -4.12 6.10 -0.24 3.03 1.11 -1.26 -4.04 116.67 117.24 3kfe s ASP 45 Ca 0.42 0.15 -0.08 0.00 0.18 0.00 0.00 52.55 53.22 3kfe s ASP 45 Cb -0.09 -1.80 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 3kfe s ASP 45 CO 0.30 0.13 0.10 -0.54 1.18 0.00 0.00 175.17 176.35 3kfe s LYS 46 N -2.70 3.81 -0.00 8.23 -0.14 -0.38 -4.95 119.74 123.62 3kfe s LYS 46 Ca 0.33 -0.40 -0.19 0.00 -1.36 0.00 0.00 55.97 54.35 3kfe s LYS 46 Cb -0.12 -3.40 -0.06 0.00 -1.68 0.00 0.00 37.83 32.58 3kfe s LYS 46 CO 0.26 -0.08 0.56 1.41 -0.76 0.00 0.00 175.35 176.74 3kfe s MET 47 N 1.38 4.25 -0.41 1.68 -2.45 -1.26 -2.63 119.30 119.86 3kfe s MET 47 Ca 0.06 0.67 0.02 0.00 -1.25 0.00 0.00 55.69 55.18 3kfe s MET 47 Cb -0.15 -3.32 0.14 0.00 1.25 0.00 0.00 34.83 32.76 3kfe s MET 47 CO 0.05 0.43 0.25 -1.17 1.05 0.00 0.00 175.02 175.64 3kfe s LEU 48 N -0.37 1.93 0.82 4.11 0.20 -0.19 -4.96 118.68 120.23 3kfe s LEU 48 Ca 0.29 -2.57 -0.11 0.00 0.69 0.00 0.00 54.13 52.43 3kfe s LEU 48 Cb -0.18 -0.73 0.09 0.00 -0.43 0.00 0.00 46.19 44.94 3kfe s LEU 48 CO 0.16 -0.26 1.09 -0.69 -0.29 0.00 0.00 176.35 176.36 3kfe s VAL 49 N 0.51 3.01 0.00 1.68 1.01 -1.26 -2.55 120.40 122.81 3kfe s VAL 49 Ca 0.20 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3kfe s VAL 49 Cb -0.19 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3kfe s VAL 49 CO -0.03 -0.43 0.00 -0.90 0.00 0.00 0.00 175.10 173.74 3kfe n ASP 50 N -3.58 0.00 -0.88 3.32 5.68 -0.93 -4.96 116.55 115.20 3kfe n ASP 50 Ca 0.07 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.47 3kfe n ASP 50 Cb 0.55 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.65 3kfe n ASP 50 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kfe n ASP 51 N 0.00 2.86 -0.69 -1.12 5.68 -1.26 -4.38 116.55 117.65 3kfe n ASP 51 Ca 0.00 -1.88 0.05 0.00 -0.50 0.00 0.00 54.79 52.46 3kfe n ASP 51 Cb 0.00 -0.06 0.20 0.00 -1.14 0.00 0.00 41.12 40.12 3kfe n ASP 51 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kfe n LEU 52 N 1.19 3.30 0.00 -2.12 4.77 -1.26 -4.92 117.00 117.96 3kfe n LEU 52 Ca 0.13 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 3kfe n LEU 52 Cb 0.52 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kfe n LEU 52 CO 0.13 0.99 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 3kfe n GLY 53 N -1.06 0.00 3.63 -0.72 0.00 -1.26 -4.90 105.19 100.87 3kfe n GLY 53 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3kfe n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfe s ASP 54 N -1.98 6.37 0.18 1.61 1.11 -1.26 -4.84 116.67 117.85 3kfe s ASP 54 Ca 0.00 1.50 0.00 0.00 0.18 0.00 0.00 52.55 54.23 3kfe s ASP 54 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 3kfe s ASP 54 CO 0.00 -1.29 0.36 0.54 1.18 0.00 0.00 175.17 175.96 3kfe s VAL 55 N 5.27 5.24 -0.23 -1.27 0.11 -1.26 -2.19 120.40 126.08 3kfe s VAL 55 Ca 0.70 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 59.23 3kfe s VAL 55 Cb -0.23 -3.73 0.10 0.00 -1.53 0.00 0.00 36.38 30.99 3kfe s VAL 55 CO 0.29 -0.14 0.48 0.54 -3.33 0.00 0.00 175.10 172.95 3kfe s VAL 56 N -1.82 -0.75 -0.17 2.04 0.11 -1.06 -4.95 120.40 113.81 3kfe s VAL 56 Ca 0.37 0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.47 3kfe s VAL 56 Cb -0.11 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3kfe s VAL 56 CO 0.29 0.05 0.07 -0.69 -3.33 0.00 0.00 175.10 171.48 3kfe s VAL 57 N 2.69 4.88 0.10 2.04 1.01 -1.26 -1.02 120.40 128.84 3kfe s VAL 57 Ca -0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 3kfe s VAL 57 Cb -0.12 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.16 3kfe s VAL 57 CO -0.15 0.49 0.73 0.28 0.00 0.00 0.00 175.10 176.46 3kfe s THR 58 N 0.06 0.00 -0.52 3.92 -1.32 -1.08 -4.75 115.64 111.95 3kfe s THR 58 Ca 0.06 -0.06 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 3kfe s THR 58 Cb -0.12 -1.07 -0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3kfe s THR 58 CO 0.01 0.00 0.48 -3.20 -2.21 0.00 0.00 174.62 169.69 3kfe n ASN 59 N -0.33 0.93 -4.63 8.08 2.85 -1.26 -1.24 115.26 119.66 3kfe n ASN 59 Ca -0.13 -0.96 -0.43 0.00 -0.11 0.00 0.00 54.58 52.95 3kfe n ASN 59 Cb 0.63 0.46 -0.02 0.00 1.24 0.00 0.00 39.78 42.09 3kfe n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3kfe s ASP 60 N -0.95 6.46 0.10 1.20 2.15 -1.26 -4.92 116.67 119.44 3kfe s ASP 60 Ca 0.05 1.38 -0.25 0.00 0.43 0.00 0.00 52.55 54.16 3kfe s ASP 60 Cb 0.05 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.04 3kfe s ASP 60 CO 0.14 -1.23 1.42 1.23 -0.17 0.00 0.00 175.17 176.55 3kfe h GLY 61 N 11.54 -1.23 0.88 2.66 0.00 -1.94 -2.69 103.07 112.29 3kfe h GLY 61 Ca -0.30 0.74 0.01 0.00 0.00 0.00 0.00 47.33 47.78 3kfe h GLY 61 CO 1.02 -0.27 -0.00 -0.24 0.00 0.00 0.00 176.54 177.05 3kfe h VAL 62 N -0.33 0.94 -0.34 4.60 3.04 -1.89 -1.75 116.25 120.53 3kfe h VAL 62 Ca 0.05 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 65.78 3kfe h VAL 62 Cb 0.46 0.92 -0.05 0.00 -2.01 0.00 0.00 31.29 30.62 3kfe h VAL 62 CO -0.44 0.00 0.07 0.71 -1.01 0.00 0.00 177.57 176.90 3kfe h THR 63 N 0.02 0.83 -0.63 3.17 1.35 -1.97 1.11 112.91 116.78 3kfe h THR 63 Ca 0.04 -0.06 0.10 0.00 -0.55 0.00 0.00 66.41 65.93 3kfe h THR 63 Cb 0.04 0.63 -0.11 0.00 -1.73 0.00 0.00 68.15 66.98 3kfe h THR 63 CO -0.06 0.03 -0.40 0.40 -0.25 0.00 0.00 175.52 175.24 3kfe h ILE 64 N 0.18 0.10 0.59 6.82 2.04 -1.11 0.26 117.51 126.40 3kfe h ILE 64 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3kfe h ILE 64 Cb 0.18 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3kfe h ILE 64 CO -0.21 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 177.58 3kfe h LEU 65 N -0.18 -0.68 -0.35 1.44 3.38 0.00 -3.19 115.31 115.73 3kfe h LEU 65 Ca 0.21 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3kfe h LEU 65 Cb 0.56 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3kfe h LEU 65 CO -0.72 -0.36 -0.30 0.03 0.09 0.00 0.00 178.44 177.19 3kfe h ARG 66 N -1.00 -0.11 -1.82 1.13 3.08 0.14 -2.77 114.38 113.02 3kfe h ARG 66 Ca -0.08 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 3kfe h ARG 66 Cb 0.67 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 3kfe h ARG 66 CO 0.13 -0.07 0.15 0.39 -1.07 0.00 0.00 179.97 179.50 3kfe n GLU 67 N -4.13 1.38 -4.23 0.04 1.02 0.91 -4.65 120.64 110.98 3kfe n GLU 67 Ca -0.01 -0.69 -0.17 0.00 -0.02 0.00 0.00 57.16 56.27 3kfe n GLU 67 Cb 0.16 -1.30 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3kfe n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfe s MET 68 N -0.68 0.74 -1.04 3.49 0.23 -1.05 -4.96 119.30 116.03 3kfe s MET 68 Ca 0.16 -0.71 -0.23 0.00 -1.03 0.00 0.00 55.69 53.88 3kfe s MET 68 Cb 0.11 -0.69 -0.00 0.00 -1.53 0.00 0.00 34.83 32.73 3kfe s MET 68 CO -0.01 0.16 1.74 -1.12 -2.03 0.00 0.00 175.02 173.77 3kfe s SER 69 N -1.21 5.84 -0.20 -1.18 0.01 -1.26 -4.93 113.70 110.77 3kfe s SER 69 Ca -0.02 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 55.75 3kfe s SER 69 Cb -0.08 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3kfe s SER 69 CO 0.01 -2.14 0.34 -0.69 0.41 0.00 0.00 173.24 171.17 3kfe s VAL 70 N 7.60 5.24 -0.14 3.43 1.01 -1.26 -4.97 120.40 131.31 3kfe s VAL 70 Ca 0.59 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 3kfe s VAL 70 Cb -0.02 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3kfe s VAL 70 CO -0.01 0.29 -0.15 -0.62 0.00 0.00 0.00 175.10 174.61 3kfe n GLU 71 N 4.34 0.33 -1.64 2.72 -0.58 -1.26 -4.84 120.64 119.70 3kfe n GLU 71 Ca -0.10 0.10 -0.48 0.00 -0.42 0.00 0.00 57.16 56.26 3kfe n GLU 71 Cb 0.51 -1.18 -0.05 0.00 -0.57 0.00 0.00 31.44 30.15 3kfe n GLU 71 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3kfe n HIS 72 N -3.17 2.03 -0.19 -0.32 -0.00 -1.26 -4.84 115.22 107.47 3kfe n HIS 72 Ca -0.26 0.39 -0.07 0.00 0.46 0.00 0.00 57.72 58.23 3kfe n HIS 72 Cb 0.74 -2.48 0.02 0.00 -0.12 0.00 0.00 29.99 28.16 3kfe n HIS 72 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3kfe h PRO 73 N 5.51 0.74 0.08 1.57 0.13 -1.99 -1.42 132.00 136.62 3kfe h PRO 73 Ca -0.46 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3kfe h PRO 73 Cb 1.28 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 3kfe h PRO 73 CO 0.85 0.56 -0.42 0.00 -0.23 0.00 0.00 178.00 178.76 3kfe h ALA 74 N 1.14 -0.90 -0.98 -0.56 0.00 -1.92 -2.42 119.26 113.62 3kfe h ALA 74 Ca 0.19 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3kfe h ALA 74 Cb 0.03 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3kfe h ALA 74 CO -0.03 -1.01 0.62 0.00 0.00 0.00 0.00 179.25 178.82 3kfe h ALA 75 N -0.73 1.63 -0.26 0.00 0.00 -1.74 0.63 119.26 118.80 3kfe h ALA 75 Ca -0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kfe h ALA 75 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kfe h ALA 75 CO -0.24 0.10 0.64 0.87 0.00 0.00 0.00 179.25 180.62 3kfe h LYS 76 N 0.87 0.00 0.00 0.00 1.57 -0.74 -0.76 116.57 117.51 3kfe h LYS 76 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3kfe h LYS 76 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kfe h LYS 76 CO -0.27 0.00 -1.50 -1.33 -0.57 0.00 0.00 179.45 175.78 3kfe n MET 77 N -3.06 0.65 0.21 3.15 2.81 0.21 -3.51 117.12 117.58 3kfe n MET 77 Ca 0.05 -0.11 0.09 0.00 -1.81 0.00 0.00 57.70 55.92 3kfe n MET 77 Cb 0.75 -1.44 0.34 0.00 -0.71 0.00 0.00 33.22 32.16 3kfe n MET 77 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3kfe h LEU 78 N 0.00 0.00 -0.97 4.03 4.07 -1.14 -2.85 115.31 118.45 3kfe h LEU 78 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kfe h LEU 78 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3kfe h LEU 78 CO 0.00 0.24 0.00 0.40 -1.08 0.00 0.00 178.44 178.00 3kfe h ILE 79 N 0.00 0.00 -0.32 1.22 2.04 -1.51 -1.91 117.51 117.04 3kfe h ILE 79 Ca -0.00 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3kfe h ILE 79 Cb 0.90 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 3kfe h ILE 79 CO 0.03 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 178.03 3kfe h GLU 80 N 0.00 0.44 -0.27 2.37 4.39 -1.54 -1.27 114.58 118.71 3kfe h GLU 80 Ca 0.00 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.66 3kfe h GLU 80 Cb 0.67 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3kfe h GLU 80 CO 0.00 0.37 0.16 0.28 -1.16 0.00 0.00 179.01 178.66 3kfe h VAL 81 N 0.40 1.04 -0.30 3.13 2.07 -1.43 -1.67 116.25 119.49 3kfe h VAL 81 Ca 0.11 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3kfe h VAL 81 Cb 0.06 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kfe h VAL 81 CO -0.02 0.06 -0.20 0.00 0.02 0.00 0.00 177.57 177.43 3kfe h ALA 82 N 1.11 1.09 0.00 1.67 0.00 -1.50 -1.55 119.26 120.07 3kfe h ALA 82 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3kfe h ALA 82 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kfe h ALA 82 CO -0.04 0.56 -0.41 -0.22 0.00 0.00 0.00 179.25 179.14 3kfe h LYS 83 N 0.51 0.00 0.00 0.00 3.64 -0.39 -2.33 116.57 118.00 3kfe h LYS 83 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kfe h LYS 83 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3kfe h LYS 83 CO 0.04 0.41 -1.43 0.25 -2.27 0.00 0.00 179.45 176.45 3kfe n THR 84 N -3.89 0.12 0.10 1.00 -2.24 -0.71 -3.26 114.28 105.39 3kfe n THR 84 Ca -0.01 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3kfe n THR 84 Cb 0.46 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 3kfe n THR 84 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3kfe h GLN 85 N 0.00 -0.21 -0.68 -0.78 5.75 -0.95 -1.20 115.11 117.04 3kfe h GLN 85 Ca 0.00 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3kfe h GLN 85 Cb 0.83 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.39 3kfe h GLN 85 CO 0.00 0.03 0.45 1.05 -2.65 0.00 0.00 178.83 177.72 3kfe h GLU 86 N -0.43 0.47 -0.20 1.69 4.11 -1.56 0.78 114.58 119.44 3kfe h GLU 86 Ca -0.02 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.21 3kfe h GLU 86 Cb 0.34 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3kfe h GLU 86 CO 0.04 0.31 -0.57 -0.22 0.07 0.00 0.00 179.01 178.63 3kfe h LYS 87 N 0.48 0.62 -0.02 1.06 1.63 -1.47 -3.28 116.57 115.59 3kfe h LYS 87 Ca 0.32 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 3kfe h LYS 87 Cb 0.59 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 3kfe h LYS 87 CO -0.10 1.02 -0.11 0.39 -3.45 0.00 0.00 179.45 177.20 3kfe n GLU 88 N -3.96 1.45 0.00 1.90 -0.58 -0.48 -4.89 120.64 114.08 3kfe n GLU 88 Ca -0.04 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 3kfe n GLU 88 Cb 0.62 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 3kfe n GLU 88 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kfe n VAL 89 N 0.60 0.00 0.00 2.62 0.31 0.20 -5.02 118.33 117.05 3kfe n VAL 89 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3kfe n VAL 89 Cb 0.39 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 3kfe n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kfe n GLY 90 N 0.55 4.03 3.84 2.92 0.00 -1.22 -4.38 105.19 110.92 3kfe n GLY 90 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 3kfe n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfe s ASP 91 N 0.00 4.92 -0.76 1.61 2.15 -1.26 -4.63 116.67 118.71 3kfe s ASP 91 Ca 0.00 -0.80 -0.02 0.00 0.43 0.00 0.00 52.55 52.16 3kfe s ASP 91 Cb 0.00 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 42.04 3kfe s ASP 91 CO 0.00 -0.60 0.24 0.61 -0.17 0.00 0.00 175.17 175.25 3kfe n GLY 92 N -1.46 0.09 0.15 2.66 0.00 -1.26 -4.81 105.19 100.55 3kfe n GLY 92 Ca 0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 3kfe n GLY 92 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kfe h THR 93 N -0.55 1.41 -0.39 2.61 1.35 -1.90 -3.15 112.91 112.28 3kfe h THR 93 Ca -0.25 -2.20 0.02 0.00 -0.55 0.00 0.00 66.41 63.43 3kfe h THR 93 Cb 1.17 2.66 -0.03 0.00 -1.73 0.00 0.00 68.15 70.23 3kfe h THR 93 CO 0.27 0.65 0.22 0.74 -0.25 0.00 0.00 175.52 177.15 3kfe h THR 94 N -0.04 1.02 0.00 6.82 2.02 -1.92 -2.91 112.91 117.90 3kfe h THR 94 Ca -0.10 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3kfe h THR 94 Cb 1.47 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3kfe h THR 94 CO 0.15 0.08 -0.26 0.71 0.37 0.00 0.00 175.52 176.57 3kfe h THR 95 N 0.44 1.07 -0.18 3.16 1.35 -1.97 0.10 112.91 116.89 3kfe h THR 95 Ca 0.16 -0.91 -0.11 0.00 -0.55 0.00 0.00 66.41 65.01 3kfe h THR 95 Cb 0.03 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3kfe h THR 95 CO -0.09 0.25 -0.30 0.00 -0.25 0.00 0.00 175.52 175.13 3kfe h ALA 96 N 1.74 0.28 -0.41 6.62 0.00 -1.49 -2.08 119.26 123.92 3kfe h ALA 96 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3kfe h ALA 96 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kfe h ALA 96 CO 0.03 0.30 0.06 0.28 0.00 0.00 0.00 179.25 179.92 3kfe h VAL 97 N 0.18 1.25 0.26 0.00 2.07 -1.30 -2.59 116.25 116.10 3kfe h VAL 97 Ca 0.01 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3kfe h VAL 97 Cb 0.88 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3kfe h VAL 97 CO 0.07 0.31 -0.12 0.58 0.02 0.00 0.00 177.57 178.43 3kfe h VAL 98 N 0.54 0.75 -0.77 2.57 2.07 -0.75 -0.74 116.25 119.93 3kfe h VAL 98 Ca 0.12 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.71 3kfe h VAL 98 Cb 0.39 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3kfe h VAL 98 CO 0.01 0.00 0.44 0.58 0.02 0.00 0.00 177.57 178.63 3kfe h VAL 99 N -0.35 0.95 -0.25 2.57 2.07 -1.47 -1.29 116.25 118.49 3kfe h VAL 99 Ca -0.04 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3kfe h VAL 99 Cb 0.27 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3kfe h VAL 99 CO 0.06 0.14 0.17 0.00 0.02 0.00 0.00 177.57 177.96 3kfe h ALA 100 N 1.41 2.00 -0.02 1.67 0.00 -0.94 0.14 119.26 123.52 3kfe h ALA 100 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3kfe h ALA 100 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kfe h ALA 100 CO -0.21 -0.05 -0.07 0.78 0.00 0.00 0.00 179.25 179.71 3kfe h GLY 101 N 0.19 0.09 2.00 0.00 0.00 -0.21 -3.08 103.07 102.06 3kfe h GLY 101 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kfe h GLY 101 CO -0.02 0.10 0.00 -2.21 0.00 0.00 0.00 176.54 174.41 3kfe n GLU 102 N -4.70 0.18 0.11 4.80 4.07 -0.25 -0.90 120.64 123.95 3kfe n GLU 102 Ca -0.09 0.43 -0.22 0.00 -0.06 0.00 0.00 57.16 57.23 3kfe n GLU 102 Cb 0.36 -1.86 -0.14 0.00 -0.06 0.00 0.00 31.44 29.74 3kfe n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3kfe h LEU 103 N 0.00 0.79 -0.61 4.31 3.38 -0.83 -2.63 115.31 119.71 3kfe h LEU 103 Ca 0.00 -0.78 -0.06 0.00 0.09 0.00 0.00 57.88 57.13 3kfe h LEU 103 Cb 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kfe h LEU 103 CO 0.00 1.59 0.13 -0.07 0.09 0.00 0.00 178.44 180.18 3kfe h LEU 104 N 0.20 0.95 0.40 1.67 3.38 -0.99 0.15 115.31 121.07 3kfe h LEU 104 Ca -0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3kfe h LEU 104 Cb 2.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 3kfe h LEU 104 CO 0.24 0.95 -0.30 -0.09 0.09 0.00 0.00 178.44 179.33 3kfe h ARG 105 N 0.91 -0.67 0.00 1.13 2.43 -1.08 -2.10 114.38 115.00 3kfe h ARG 105 Ca 0.19 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3kfe h ARG 105 Cb 0.38 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3kfe h ARG 105 CO 0.01 -0.45 -0.11 0.87 -1.51 0.00 0.00 179.97 178.78 3kfe h LYS 106 N -0.69 0.00 -0.21 0.20 1.79 -1.38 -2.63 116.57 113.64 3kfe h LYS 106 Ca -0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 3kfe h LYS 106 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3kfe h LYS 106 CO 0.00 0.11 -0.22 0.00 -1.08 0.00 0.00 179.45 178.26 3kfe h ALA 107 N 1.89 1.23 0.00 3.86 0.00 -0.00 -2.82 119.26 123.41 3kfe h ALA 107 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kfe h ALA 107 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kfe h ALA 107 CO 0.01 0.50 -0.19 -0.85 0.00 0.00 0.00 179.25 178.73 3kfe n GLU 108 N -4.16 0.28 0.25 0.00 0.28 -0.99 -2.47 120.64 113.83 3kfe n GLU 108 Ca -0.00 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.29 3kfe n GLU 108 Cb 0.37 -1.78 0.65 0.00 1.43 0.00 0.00 31.44 32.11 3kfe n GLU 108 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kfe h GLU 109 N 0.00 0.00 0.00 3.44 5.08 -1.54 -0.65 114.58 120.90 3kfe h GLU 109 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3kfe h GLU 109 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3kfe h GLU 109 CO 0.00 0.15 -1.82 1.28 -1.00 0.00 0.00 179.01 177.63 3kfe n LEU 110 N -3.62 0.65 0.08 1.33 4.77 -1.12 -3.68 117.00 115.41 3kfe n LEU 110 Ca -0.01 0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 56.18 3kfe n LEU 110 Cb 0.28 0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3kfe n LEU 110 CO 0.31 0.36 0.28 -0.07 -1.33 0.00 0.00 177.39 176.94 3kfe h LEU 111 N 0.00 0.33 -0.24 2.23 3.38 -1.21 -1.04 115.31 118.77 3kfe h LEU 111 Ca -0.32 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3kfe h LEU 111 Cb 1.96 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3kfe h LEU 111 CO 0.06 1.03 0.00 0.47 0.09 0.00 0.00 178.44 180.09 3kfe n ASP 112 N -3.72 0.35 -0.35 -0.43 9.92 -0.28 -1.61 116.55 120.43 3kfe n ASP 112 Ca -0.04 -1.69 0.06 0.00 -0.53 0.00 0.00 54.79 52.59 3kfe n ASP 112 Cb 0.78 -0.03 0.13 0.00 -0.64 0.00 0.00 41.12 41.35 3kfe n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kfe n GLN 113 N -0.46 2.49 -2.10 -1.24 6.02 -0.91 -4.99 117.38 116.19 3kfe n GLN 113 Ca 0.09 -2.20 -0.16 0.00 -0.01 0.00 0.00 57.00 54.73 3kfe n GLN 113 Cb 0.09 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 3kfe n GLN 113 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kfe n ASN 114 N -0.53 -4.77 -4.74 1.08 3.02 -0.63 -5.00 115.26 103.69 3kfe n ASN 114 Ca 0.11 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 3kfe n ASN 114 Cb 0.53 -3.84 -0.04 0.00 -0.61 0.00 0.00 39.78 35.83 3kfe n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kfe s VAL 115 N -2.74 3.68 0.34 2.41 1.01 -0.44 -5.00 120.40 119.65 3kfe s VAL 115 Ca 0.00 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 3kfe s VAL 115 Cb 0.00 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3kfe s VAL 115 CO 0.00 0.25 1.30 -2.28 0.00 0.00 0.00 175.10 174.37 3kfe s HIS 116 N -0.26 3.04 0.28 5.22 2.46 -1.26 -4.53 115.29 120.23 3kfe s HIS 116 Ca 0.50 1.42 0.01 0.00 0.47 0.00 0.00 55.06 57.47 3kfe s HIS 116 Cb -0.31 -3.67 0.59 0.00 -0.13 0.00 0.00 32.58 29.06 3kfe s HIS 116 CO 0.37 -1.84 1.79 -1.35 -2.47 0.00 0.00 174.74 171.23 3kfe h PRO 117 N 3.31 0.73 0.00 2.88 0.11 -1.94 -0.89 132.00 136.20 3kfe h PRO 117 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kfe h PRO 117 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kfe h PRO 117 CO 0.65 0.49 0.00 1.79 -0.21 0.00 0.00 178.00 180.72 3kfe h THR 118 N 0.76 0.00 0.22 -1.15 1.35 -1.90 -0.59 112.91 111.59 3kfe h THR 118 Ca 0.50 -0.38 -0.30 0.00 -0.55 0.00 0.00 66.41 65.68 3kfe h THR 118 Cb 0.67 1.33 0.03 0.00 -1.73 0.00 0.00 68.15 68.45 3kfe h THR 118 CO -0.34 0.00 -1.33 0.40 -0.25 0.00 0.00 175.52 174.00 3kfe h ILE 119 N 0.00 1.31 0.18 6.82 1.08 -1.55 -2.40 117.51 122.95 3kfe h ILE 119 Ca 0.00 -2.64 0.00 0.00 -0.39 0.00 0.00 64.86 61.84 3kfe h ILE 119 Cb 0.40 3.06 -0.01 0.00 -3.07 0.00 0.00 36.82 37.20 3kfe h ILE 119 CO 0.00 0.79 -0.16 0.58 -0.69 0.00 0.00 178.15 178.67 3kfe h VAL 120 N -0.00 0.65 0.00 1.67 2.07 -0.78 -1.65 116.25 118.21 3kfe h VAL 120 Ca -0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3kfe h VAL 120 Cb 2.02 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3kfe h VAL 120 CO 0.23 0.00 -0.11 1.62 0.02 0.00 0.00 177.57 179.33 3kfe h VAL 121 N -0.36 0.50 0.03 2.57 3.04 -1.23 0.43 116.25 121.23 3kfe h VAL 121 Ca -0.00 -0.55 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3kfe h VAL 121 Cb 0.33 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 3kfe h VAL 121 CO -0.03 0.11 -0.01 0.50 -1.01 0.00 0.00 177.57 177.13 3kfe h LYS 122 N 0.00 -0.04 0.00 4.17 3.64 -1.02 -2.61 116.57 120.71 3kfe h LYS 122 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3kfe h LYS 122 Cb 0.36 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3kfe h LYS 122 CO 0.01 0.35 -0.29 0.78 -2.27 0.00 0.00 179.45 178.03 3kfe h GLY 123 N -0.43 0.00 0.98 5.01 0.00 -0.30 -1.36 103.07 106.97 3kfe h GLY 123 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3kfe h GLY 123 CO 0.01 0.00 -0.56 -0.97 0.00 0.00 0.00 176.54 175.02 3kfe h TYR 124 N 0.00 0.84 -0.10 5.60 0.99 -1.02 -2.54 116.97 120.74 3kfe h TYR 124 Ca -0.00 -0.35 0.01 0.00 2.00 0.00 0.00 58.73 60.39 3kfe h TYR 124 Cb 0.94 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.52 3kfe h TYR 124 CO 0.00 1.14 0.00 0.37 -0.00 0.00 0.00 178.16 179.68 3kfe h GLN 125 N 0.29 0.04 -0.93 4.88 4.15 -1.09 0.01 115.11 122.46 3kfe h GLN 125 Ca -0.03 -0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.57 3kfe h GLN 125 Cb 1.19 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.76 3kfe h GLN 125 CO 0.12 0.03 0.51 0.00 -1.93 0.00 0.00 178.83 177.55 3kfe h ALA 126 N 1.08 1.50 0.07 3.38 0.00 -1.24 0.10 119.26 124.15 3kfe h ALA 126 Ca 0.04 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 3kfe h ALA 126 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kfe h ALA 126 CO -0.07 -0.13 -1.25 0.00 0.00 0.00 0.00 179.25 177.80 3kfe h ALA 127 N 1.63 0.29 -0.50 0.00 0.00 -1.04 -2.50 119.26 117.14 3kfe h ALA 127 Ca 0.54 -0.99 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3kfe h ALA 127 Cb 0.87 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3kfe h ALA 127 CO -0.41 1.17 0.09 0.00 0.00 0.00 0.00 179.25 180.10 3kfe h ALA 128 N 0.76 1.23 0.47 0.00 0.00 -0.07 0.85 119.26 122.50 3kfe h ALA 128 Ca -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3kfe h ALA 128 Cb 1.91 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3kfe h ALA 128 CO 0.16 0.53 -0.23 0.37 0.00 0.00 0.00 179.25 180.08 3kfe h GLN 129 N 0.74 -0.61 -0.11 0.00 5.75 -0.74 -2.81 115.11 117.32 3kfe h GLN 129 Ca 0.16 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3kfe h GLN 129 Cb 0.32 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 3kfe h GLN 129 CO 0.00 -0.37 -0.03 -0.22 -2.65 0.00 0.00 178.83 175.56 3kfe h LYS 130 N -0.71 0.00 0.00 1.69 1.63 -1.17 -1.79 116.57 116.23 3kfe h LYS 130 Ca -0.06 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3kfe h LYS 130 Cb 0.52 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3kfe h LYS 130 CO 0.11 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.11 3kfe h ALA 131 N 1.11 1.00 0.02 5.00 0.00 -0.83 0.70 119.26 126.26 3kfe h ALA 131 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 3kfe h ALA 131 Cb 0.08 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kfe h ALA 131 CO -0.12 0.00 -1.06 1.96 0.00 0.00 0.00 179.25 180.03 3kfe h GLN 132 N 0.00 0.64 0.00 0.00 1.08 -1.05 -2.67 115.11 113.11 3kfe h GLN 132 Ca 0.00 -0.71 -0.01 0.00 -1.45 0.00 0.00 58.65 56.47 3kfe h GLN 132 Cb 0.14 0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3kfe h GLN 132 CO 0.00 1.30 -0.95 1.05 -0.95 0.00 0.00 178.83 179.27 3kfe h GLU 133 N 0.35 0.00 0.00 1.46 4.11 -1.31 -3.05 114.58 116.14 3kfe h GLU 133 Ca -0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.25 3kfe h GLU 133 Cb 1.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 3kfe h GLU 133 CO 0.20 0.03 -0.21 -0.07 0.07 0.00 0.00 179.01 179.03 3kfe h LEU 134 N 0.00 0.00 0.12 3.06 3.38 -0.95 -3.01 115.31 117.91 3kfe h LEU 134 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3kfe h LEU 134 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.80 3kfe h LEU 134 CO 0.00 0.21 -1.16 -0.07 0.09 0.00 0.00 178.44 177.52 3kfe h LEU 135 N 0.00 0.40 -0.94 1.67 3.38 -1.52 -3.27 115.31 115.03 3kfe h LEU 135 Ca -0.00 -0.88 0.27 0.00 0.09 0.00 0.00 57.88 57.35 3kfe h LEU 135 Cb 0.66 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 3kfe h LEU 135 CO 0.03 1.52 0.14 0.11 0.09 0.00 0.00 178.44 180.33 3kfe h LYS 136 N -0.36 0.07 0.00 1.13 1.57 -1.41 0.99 116.57 118.56 3kfe h LYS 136 Ca -0.24 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 3kfe h LYS 136 Cb 1.69 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.97 3kfe h LYS 136 CO 0.09 0.05 -0.39 1.79 -0.57 0.00 0.00 179.45 180.42 3kfe h THR 137 N 0.07 0.63 -0.56 -0.16 1.35 -1.67 -3.28 112.91 109.30 3kfe h THR 137 Ca 0.60 -1.90 -0.15 0.00 -0.55 0.00 0.00 66.41 64.41 3kfe h THR 137 Cb 1.26 2.31 -0.09 0.00 -1.73 0.00 0.00 68.15 69.90 3kfe h THR 137 CO -0.81 0.36 0.14 2.30 -0.25 0.00 0.00 175.52 177.26 3kfe n ILE 138 N -3.19 2.72 -3.75 6.82 -5.35 0.31 -4.88 119.36 112.05 3kfe n ILE 138 Ca 0.02 -1.86 -0.37 0.00 -0.27 0.00 0.00 62.75 60.27 3kfe n ILE 138 Cb 0.68 -0.32 -0.12 0.00 -1.74 0.00 0.00 39.64 38.13 3kfe n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kfe s ALA 139 N -2.99 3.11 0.54 -1.28 0.00 -0.98 -4.86 121.76 115.29 3kfe s ALA 139 Ca 0.50 -1.37 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 3kfe s ALA 139 Cb 0.41 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3kfe s ALA 139 CO 0.10 -0.82 1.34 0.00 0.00 0.00 0.00 175.76 176.38 3kfe s GLU 141 N -2.88 3.76 0.00 0.00 0.41 -1.26 -1.07 118.70 117.66 3kfe s GLU 141 Ca 0.71 0.58 -0.14 0.00 -0.41 0.00 0.00 54.97 55.70 3kfe s GLU 141 Cb -0.39 -2.29 0.02 0.00 -1.78 0.00 0.00 34.13 29.70 3kfe s GLU 141 CO 0.46 -0.19 0.31 0.08 -0.49 0.00 0.00 175.26 175.43 3kfe s VAL 142 N -2.60 0.07 0.02 2.63 1.01 0.85 -4.88 120.40 117.50 3kfe s VAL 142 Ca 0.53 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3kfe s VAL 142 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3kfe s VAL 142 CO 0.36 -0.30 1.00 -0.83 0.00 0.00 0.00 175.10 175.34 3kfe s GLY 143 N -1.55 2.87 0.29 4.51 0.00 -1.26 -4.73 107.32 107.45 3kfe s GLY 143 Ca -0.11 0.58 0.12 0.00 0.00 0.00 0.00 44.72 45.31 3kfe s GLY 143 CO 0.02 1.70 1.25 0.00 0.00 0.00 0.00 173.10 176.07 3kfe n ALA 144 N 3.77 0.63 -0.40 3.20 0.00 -1.26 -0.05 120.51 126.40 3kfe n ALA 144 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3kfe n ALA 144 Cb 0.50 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3kfe n ALA 144 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kfe n GLN 145 N -1.97 1.86 -0.92 0.00 7.27 -1.26 -4.67 117.38 117.69 3kfe n GLN 145 Ca -0.01 -1.16 -0.31 0.00 0.07 0.00 0.00 57.00 55.59 3kfe n GLN 145 Cb 0.30 -0.83 -0.11 0.00 2.41 0.00 0.00 30.24 32.01 3kfe n GLN 145 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3kfe n ASP 146 N -0.34 0.97 0.00 1.69 4.64 0.93 -4.65 116.55 119.80 3kfe n ASP 146 Ca 0.00 -2.39 0.04 0.00 -1.38 0.00 0.00 54.79 51.06 3kfe n ASP 146 Cb 0.35 -0.93 0.19 0.00 -1.04 0.00 0.00 41.12 39.69 3kfe n ASP 146 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3kfe n LYS 147 N 7.79 0.13 -0.05 -0.67 4.81 -1.26 -1.11 118.16 127.80 3kfe n LYS 147 Ca 0.42 0.17 -0.21 0.00 -0.87 0.00 0.00 58.31 57.82 3kfe n LYS 147 Cb 0.43 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.86 3kfe n LYS 147 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3kfe h GLU 148 N 0.00 0.11 -0.37 1.64 4.81 -1.97 -3.32 114.58 115.47 3kfe h GLU 148 Ca 0.00 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 3kfe h GLU 148 Cb 0.05 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3kfe h GLU 148 CO 0.00 1.09 -0.13 0.82 -0.73 0.00 0.00 179.01 180.06 3kfe h ILE 149 N -0.65 1.28 -1.11 2.32 2.04 -1.51 -2.37 117.51 117.51 3kfe h ILE 149 Ca -0.30 -1.23 0.32 0.00 1.00 0.00 0.00 64.86 64.65 3kfe h ILE 149 Cb 1.50 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.82 3kfe h ILE 149 CO -0.07 0.41 0.79 -0.07 0.00 0.00 0.00 178.15 179.21 3kfe h LEU 150 N 0.54 0.06 0.00 1.44 3.38 -1.47 -0.43 115.31 118.83 3kfe h LEU 150 Ca 0.09 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3kfe h LEU 150 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3kfe h LEU 150 CO 0.04 0.01 -1.07 0.74 0.09 0.00 0.00 178.44 178.25 3kfe h THR 151 N 0.05 0.38 -0.11 0.22 2.02 -1.54 -2.41 112.91 111.53 3kfe h THR 151 Ca 0.54 -1.68 -0.15 0.00 0.77 0.00 0.00 66.41 65.89 3kfe h THR 151 Cb 2.05 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.39 3kfe h THR 151 CO -0.05 0.22 -0.58 0.11 0.37 0.00 0.00 175.52 175.59 3kfe h LYS 152 N 0.00 0.36 -0.21 6.66 1.57 -0.80 -2.36 116.57 121.79 3kfe h LYS 152 Ca -0.08 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.38 3kfe h LYS 152 Cb 1.35 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 3kfe h LYS 152 CO 0.03 0.84 -0.17 0.82 -0.57 0.00 0.00 179.45 180.40 3kfe h ILE 153 N 0.27 1.32 0.00 1.86 2.04 -1.15 -1.75 117.51 120.10 3kfe h ILE 153 Ca -0.00 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3kfe h ILE 153 Cb 1.10 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3kfe h ILE 153 CO 0.10 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.65 3kfe h ALA 154 N 0.67 1.00 0.05 1.87 0.00 -1.49 -2.51 119.26 118.84 3kfe h ALA 154 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 3kfe h ALA 154 Cb 0.70 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3kfe h ALA 154 CO 0.04 0.00 -1.72 1.98 0.00 0.00 0.00 179.25 179.56 3kfe h MET 155 N 0.00 0.10 0.00 0.00 1.85 -1.39 -3.16 114.93 112.33 3kfe h MET 155 Ca 0.00 -0.17 -0.07 0.00 -0.61 0.00 0.00 59.70 58.85 3kfe h MET 155 Cb 0.53 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 3kfe h MET 155 CO 0.00 0.78 -0.35 1.15 -0.40 0.00 0.00 176.91 178.09 3kfe h THR 156 N 0.03 0.93 -0.00 -0.77 2.02 -1.12 -2.73 112.91 111.27 3kfe h THR 156 Ca -0.30 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 3kfe h THR 156 Cb 2.01 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.22 3kfe h THR 156 CO 0.10 0.34 -0.01 -1.28 0.37 0.00 0.00 175.52 175.03 3kfe h SER 157 N 0.00 0.01 -0.39 4.18 0.87 -1.55 -3.34 113.55 113.34 3kfe h SER 157 Ca -0.00 -0.71 -0.01 0.00 -1.23 0.00 0.00 61.79 59.83 3kfe h SER 157 Cb 0.78 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3kfe h SER 157 CO 0.05 0.73 0.20 0.40 -0.53 0.00 0.00 176.83 177.67 3kfe h ILE 158 N -0.70 1.16 -4.04 2.23 2.04 -1.55 -3.39 117.51 113.27 3kfe h ILE 158 Ca -0.00 -0.44 -0.52 0.00 1.00 0.00 0.00 64.86 64.91 3kfe h ILE 158 Cb 0.73 0.74 0.20 0.00 -0.74 0.00 0.00 36.82 37.75 3kfe h ILE 158 CO 0.00 0.17 0.06 0.41 0.00 0.00 0.00 178.15 178.79 3kfe n THR 159 N -4.72 0.00 0.00 -0.27 -1.04 -1.03 -2.02 114.28 105.19 3kfe n THR 159 Ca -0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3kfe n THR 159 Cb 0.09 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 3kfe n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kfe n GLY 160 N 0.54 2.80 1.65 3.41 0.00 -1.26 -4.62 105.19 107.70 3kfe n GLY 160 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3kfe n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kfe n LYS 161 N -0.38 2.19 -0.01 1.61 5.02 -0.86 -4.15 118.16 121.59 3kfe n LYS 161 Ca 0.00 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 3kfe n LYS 161 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 3kfe n LYS 161 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfe n GLY 162 N -0.27 0.73 0.27 0.72 0.00 -1.26 -4.65 105.19 100.73 3kfe n GLY 162 Ca 0.31 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 45.22 3kfe n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe h ALA 163 N 0.00 1.00 -0.00 4.61 0.00 -1.87 -2.83 119.26 120.16 3kfe h ALA 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kfe h ALA 163 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kfe h ALA 163 CO 0.00 0.00 -0.21 -0.85 0.00 0.00 0.00 179.25 178.19 3kfe n GLU 164 N -2.79 0.01 0.02 0.00 0.00 -1.26 -2.35 120.64 114.27 3kfe n GLU 164 Ca -0.02 -0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.26 3kfe n GLU 164 Cb 0.11 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.32 3kfe n GLU 164 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3kfe n LYS 165 N -1.50 0.08 -0.33 3.44 5.02 -1.07 -4.53 118.16 119.27 3kfe n LYS 165 Ca 0.06 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 3kfe n LYS 165 Cb 0.34 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 3kfe n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kfe n ALA 166 N -1.59 3.15 -1.67 7.82 0.00 -0.99 -4.88 120.51 122.34 3kfe n ALA 166 Ca 0.05 -0.08 -0.48 0.00 0.00 0.00 0.00 53.44 52.93 3kfe n ALA 166 Cb 0.37 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 3kfe n ALA 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kfe n LYS 167 N 1.76 2.11 -0.12 0.00 3.00 -1.26 -4.89 118.16 118.76 3kfe n LYS 167 Ca 0.02 0.77 -0.07 0.00 -0.00 0.00 0.00 58.31 59.03 3kfe n LYS 167 Cb 0.33 -2.57 0.01 0.00 0.00 0.00 0.00 35.03 32.81 3kfe n LYS 167 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3kfe h GLU 168 N 7.56 0.40 0.00 1.64 4.39 -1.99 -1.56 114.58 125.03 3kfe h GLU 168 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kfe h GLU 168 Cb 1.27 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3kfe h GLU 168 CO 0.92 0.27 0.00 1.63 -1.16 0.00 0.00 179.01 180.66 3kfe n LYS 169 N -4.91 0.84 -0.12 2.33 5.02 -1.26 -2.59 118.16 117.47 3kfe n LYS 169 Ca 0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 3kfe n LYS 169 Cb 0.08 -1.10 -0.12 0.00 -0.02 0.00 0.00 35.03 33.87 3kfe n LYS 169 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kfe n LEU 170 N -0.60 2.69 -0.03 -0.35 7.94 -0.60 -3.66 117.00 122.39 3kfe n LEU 170 Ca 0.04 0.02 -0.08 0.00 -1.11 0.00 0.00 56.01 54.87 3kfe n LEU 170 Cb 0.02 -0.91 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 3kfe n LEU 170 CO 0.03 0.83 0.81 0.00 -1.11 0.00 0.00 177.39 177.95 3kfe h ALA 171 N -0.22 0.08 -0.78 1.96 0.00 -1.38 -2.29 119.26 116.63 3kfe h ALA 171 Ca -0.58 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.51 3kfe h ALA 171 Cb 1.84 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.75 3kfe h ALA 171 CO -0.15 -0.51 0.40 0.93 0.00 0.00 0.00 179.25 179.91 3kfe h GLU 172 N -0.06 0.61 -0.37 0.00 5.08 -1.72 -1.18 114.58 116.95 3kfe h GLU 172 Ca 0.10 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3kfe h GLU 172 Cb 0.21 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3kfe h GLU 172 CO -0.23 0.41 0.20 0.82 -1.00 0.00 0.00 179.01 179.21 3kfe h ILE 173 N 0.63 1.02 0.16 3.13 2.04 -1.50 -2.25 117.51 120.74 3kfe h ILE 173 Ca 0.40 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 3kfe h ILE 173 Cb 0.47 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3kfe h ILE 173 CO -0.30 0.08 -0.08 0.40 0.00 0.00 0.00 178.15 178.25 3kfe h ILE 174 N 0.42 0.91 -0.13 -0.67 2.04 -0.78 -1.31 117.51 117.99 3kfe h ILE 174 Ca 0.15 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3kfe h ILE 174 Cb 0.02 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3kfe h ILE 174 CO -0.08 0.07 -0.44 0.58 0.00 0.00 0.00 178.15 178.29 3kfe h VAL 175 N -0.35 0.13 -0.72 1.67 2.07 -1.23 0.79 116.25 118.60 3kfe h VAL 175 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 3kfe h VAL 175 Cb 0.28 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.06 3kfe h VAL 175 CO 0.04 0.00 0.07 -0.08 0.02 0.00 0.00 177.57 177.62 3kfe h GLU 176 N -0.51 0.16 0.00 1.57 4.81 -1.34 -0.28 114.58 119.00 3kfe h GLU 176 Ca 0.07 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3kfe h GLU 176 Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3kfe h GLU 176 CO -0.40 0.11 -0.40 0.00 -0.73 0.00 0.00 179.01 177.59 3kfe h ALA 177 N 1.64 0.89 0.06 2.92 0.00 -0.23 -1.81 119.26 122.73 3kfe h ALA 177 Ca 0.40 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 3kfe h ALA 177 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kfe h ALA 177 CO -0.58 0.50 -1.23 0.28 0.00 0.00 0.00 179.25 178.22 3kfe h VAL 178 N 0.00 1.48 -0.50 0.00 2.07 -0.48 -3.30 116.25 115.51 3kfe h VAL 178 Ca -0.00 -3.15 -0.05 0.00 0.82 0.00 0.00 66.70 64.32 3kfe h VAL 178 Cb 1.04 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.61 3kfe h VAL 178 CO 0.05 0.88 0.10 0.28 0.02 0.00 0.00 177.57 178.90 3kfe h SER 179 N 0.03 0.72 -0.21 0.57 0.02 -0.72 -3.07 113.55 110.90 3kfe h SER 179 Ca -0.11 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3kfe h SER 179 Cb 1.89 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.24 3kfe h SER 179 CO 0.15 0.73 0.09 0.00 -1.14 0.00 0.00 176.83 176.66 3kfe h ALA 180 N 1.36 0.27 -0.10 3.77 0.00 -1.41 -3.21 119.26 119.94 3kfe h ALA 180 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kfe h ALA 180 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kfe h ALA 180 CO 0.00 -0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.44 3kfe n VAL 181 N -4.82 0.23 -2.06 0.00 0.24 -1.16 -4.75 118.33 106.00 3kfe n VAL 181 Ca -0.04 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 3kfe n VAL 181 Cb 0.12 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 3kfe n VAL 181 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kfe s VAL 182 N -1.66 3.67 -0.92 3.34 1.01 -1.22 -4.34 120.40 120.29 3kfe s VAL 182 Ca 0.07 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 3kfe s VAL 182 Cb 0.04 -3.53 0.14 0.00 0.00 0.00 0.00 36.38 33.03 3kfe s VAL 182 CO 0.04 -0.08 1.10 1.51 0.00 0.00 0.00 175.10 177.67 3kfe s ASP 183 N 3.25 6.63 -0.08 3.32 -4.77 -0.48 -4.96 116.67 119.58 3kfe s ASP 183 Ca 0.71 -2.07 -0.29 0.00 -3.30 0.00 0.00 52.55 47.60 3kfe s ASP 183 Cb -0.31 -2.39 -0.08 0.00 -1.09 0.00 0.00 42.92 39.05 3kfe s ASP 183 CO 0.28 -1.04 2.08 0.47 0.70 0.00 0.00 175.17 177.66 3kfe n ASP 184 N 6.40 3.72 -4.44 2.11 8.00 -1.26 -2.54 116.55 128.54 3kfe n ASP 184 Ca 0.23 0.59 -0.27 0.00 0.71 0.00 0.00 54.79 56.05 3kfe n ASP 184 Cb 0.49 -1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 39.95 3kfe n ASP 184 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kfe s GLU 185 N 5.30 1.59 -0.05 -1.24 2.02 -1.26 -5.05 118.70 120.02 3kfe s GLU 185 Ca 0.95 -1.45 0.12 0.00 0.02 0.00 0.00 54.97 54.61 3kfe s GLU 185 Cb -0.41 -1.91 0.22 0.00 0.10 0.00 0.00 34.13 32.13 3kfe s GLU 185 CO 0.40 0.42 1.12 0.41 0.02 0.00 0.00 175.26 177.62 3kfe n GLY 186 N 0.35 0.89 3.89 -1.39 0.00 -1.05 -5.14 105.19 102.74 3kfe n GLY 186 Ca -0.13 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 3kfe n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfe s LYS 187 N -0.23 3.00 -0.24 1.61 -0.14 -1.22 -4.58 119.74 117.94 3kfe s LYS 187 Ca 0.15 -1.06 -0.07 0.00 -1.36 0.00 0.00 55.97 53.63 3kfe s LYS 187 Cb 0.20 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 3kfe s LYS 187 CO -0.07 0.27 0.06 0.08 -0.76 0.00 0.00 175.35 174.92 3kfe s VAL 188 N -2.16 4.20 -0.67 3.17 1.01 -1.26 -1.38 120.40 123.31 3kfe s VAL 188 Ca 0.37 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 3kfe s VAL 188 Cb -0.08 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.39 3kfe s VAL 188 CO 0.27 0.35 1.09 -0.62 0.00 0.00 0.00 175.10 176.19 3kfe s ASP 189 N 1.56 6.21 0.12 3.32 3.68 -1.26 -4.88 116.67 125.42 3kfe s ASP 189 Ca 0.06 -0.63 0.07 0.00 2.13 0.00 0.00 52.55 54.17 3kfe s ASP 189 Cb -0.15 -2.48 0.36 0.00 -1.45 0.00 0.00 42.92 39.20 3kfe s ASP 189 CO 0.03 -1.56 1.12 0.29 0.13 0.00 0.00 175.17 175.18 3kfe n LYS 190 N 8.33 0.04 0.00 4.34 4.01 -1.26 -0.41 118.16 133.21 3kfe n LYS 190 Ca 0.00 0.48 0.12 0.00 -0.51 0.00 0.00 58.31 58.40 3kfe n LYS 190 Cb 0.47 -1.76 0.18 0.00 -0.51 0.00 0.00 35.03 33.41 3kfe n LYS 190 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kfe n ASP 191 N -1.69 2.45 0.06 4.39 8.00 -1.26 -4.04 116.55 124.47 3kfe n ASP 191 Ca -0.00 -1.77 0.12 0.00 0.71 0.00 0.00 54.79 53.84 3kfe n ASP 191 Cb 0.13 0.08 0.16 0.00 -0.02 0.00 0.00 41.12 41.47 3kfe n ASP 191 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kfe h LEU 192 N 3.72 0.00 -8.15 0.64 3.38 -1.09 -3.41 115.31 110.40 3kfe h LEU 192 Ca 0.00 -0.21 -0.74 0.00 0.09 0.00 0.00 57.88 57.02 3kfe h LEU 192 Cb 0.84 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.36 3kfe h LEU 192 CO 0.00 0.11 -0.14 -0.63 0.09 0.00 0.00 178.44 177.87 3kfe s ILE 193 N -3.17 5.10 0.07 1.22 1.01 -1.26 -2.14 121.20 122.03 3kfe s ILE 193 Ca 0.06 -1.27 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 3kfe s ILE 193 Cb 0.13 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3kfe s ILE 193 CO 0.73 -0.89 1.12 -0.75 0.00 0.00 0.00 174.94 175.14 3kfe s LYS 194 N 1.92 4.50 -0.25 2.79 2.20 0.12 -4.88 119.74 126.14 3kfe s LYS 194 Ca 0.06 1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 57.29 3kfe s LYS 194 Cb -0.27 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3kfe s LYS 194 CO 0.05 -0.12 -0.02 0.42 -0.36 0.00 0.00 175.35 175.31 3kfe s ILE 195 N 0.76 3.30 -0.05 5.43 1.01 -1.26 0.42 121.20 130.81 3kfe s ILE 195 Ca 0.55 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.47 3kfe s ILE 195 Cb -0.27 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3kfe s ILE 195 CO 0.30 0.24 -0.16 -0.70 0.00 0.00 0.00 174.94 174.62 3kfe s GLU 196 N 1.42 2.48 -0.20 2.79 2.56 -0.32 -4.97 118.70 122.46 3kfe s GLU 196 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 54.97 54.27 3kfe s GLU 196 Cb -0.16 -2.33 0.03 0.00 2.00 0.00 0.00 34.13 33.67 3kfe s GLU 196 CO -0.02 0.59 -0.16 0.15 -0.56 0.00 0.00 175.26 175.25 3kfe s LYS 197 N -0.65 2.87 -0.03 4.30 1.02 -1.26 0.01 119.74 125.99 3kfe s LYS 197 Ca 0.10 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 3kfe s LYS 197 Cb -0.11 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3kfe s LYS 197 CO 0.01 -0.29 0.07 0.15 -0.92 0.00 0.00 175.35 174.36 3kfe s LYS 198 N 1.27 0.02 0.00 1.68 -0.14 -0.92 -5.01 119.74 116.65 3kfe s LYS 198 Ca 0.02 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.83 3kfe s LYS 198 Cb -0.15 -0.15 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 3kfe s LYS 198 CO -0.10 -0.12 0.22 -1.13 -0.76 0.00 0.00 175.35 173.46 3kfe n SER 199 N 3.85 0.00 -1.26 2.83 3.41 -1.26 -4.20 113.62 116.99 3kfe n SER 199 Ca -0.23 0.22 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 3kfe n SER 199 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3kfe n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kfe n GLY 200 N -0.34 -2.52 2.64 5.00 0.00 -1.26 -1.03 105.19 107.68 3kfe n GLY 200 Ca 0.00 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3kfe n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe n ALA 201 N -3.16 6.19 -2.00 4.61 0.00 -1.26 -3.46 120.51 121.43 3kfe n ALA 201 Ca -0.03 -4.39 0.00 0.00 0.00 0.00 0.00 53.44 49.01 3kfe n ALA 201 Cb 0.59 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3kfe n ALA 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfe n SER 202 N 1.22 0.00 0.00 0.00 2.88 -1.26 -4.88 113.62 111.58 3kfe n SER 202 Ca 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 3kfe n SER 202 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 3kfe n SER 202 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kfe n ILE 203 N 0.00 0.00 0.20 2.46 5.41 0.57 -4.16 119.36 123.84 3kfe n ILE 203 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3kfe n ILE 203 Cb 0.00 0.00 0.20 0.00 -0.71 0.00 0.00 39.64 39.13 3kfe n ILE 203 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3kfe h ASP 204 N 0.00 0.00 0.30 4.38 5.19 -1.90 -3.14 116.42 121.25 3kfe h ASP 204 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kfe h ASP 204 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kfe h ASP 204 CO 0.00 0.20 0.00 0.47 -3.12 0.00 0.00 179.24 176.79 3kfe n ASP 205 N -3.18 0.00 -4.76 6.45 8.00 -1.26 -4.83 116.55 116.96 3kfe n ASP 205 Ca 0.03 -0.49 -0.41 0.00 0.71 0.00 0.00 54.79 54.62 3kfe n ASP 205 Cb 0.57 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 3kfe n ASP 205 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kfe s THR 206 N -2.32 2.32 0.10 -3.53 -4.23 -1.19 -4.80 115.64 101.99 3kfe s THR 206 Ca 0.35 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 3kfe s THR 206 Cb 0.20 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 3kfe s THR 206 CO 0.40 0.06 0.12 -1.83 -0.54 0.00 0.00 174.62 172.83 3kfe s GLU 207 N -1.35 0.86 -0.14 3.99 -1.05 -0.46 -4.99 118.70 115.56 3kfe s GLU 207 Ca 0.55 -1.19 -0.20 0.00 -0.15 0.00 0.00 54.97 53.98 3kfe s GLU 207 Cb -0.44 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.50 3kfe s GLU 207 CO 0.54 -0.25 0.59 -1.17 0.95 0.00 0.00 175.26 175.92 3kfe s LEU 208 N -2.94 4.22 -0.30 1.83 2.96 -1.26 -1.19 118.68 122.00 3kfe s LEU 208 Ca 0.12 0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 54.89 3kfe s LEU 208 Cb 0.06 -2.86 0.03 0.00 0.50 0.00 0.00 46.19 43.92 3kfe s LEU 208 CO -0.06 -0.15 0.02 -0.63 -1.32 0.00 0.00 176.35 174.22 3kfe s ILE 209 N 1.26 3.32 -1.36 6.68 1.01 -0.04 -4.97 121.20 127.10 3kfe s ILE 209 Ca 0.30 -1.12 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3kfe s ILE 209 Cb -0.16 -2.81 0.07 0.00 0.01 0.00 0.00 42.46 39.57 3kfe s ILE 209 CO 0.12 -0.02 1.93 0.29 0.00 0.00 0.00 174.94 177.26 3kfe n LYS 210 N 4.72 3.10 0.00 2.79 5.02 -1.26 -0.68 118.16 131.84 3kfe n LYS 210 Ca -0.14 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.09 3kfe n LYS 210 Cb 0.45 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.12 3kfe n LYS 210 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfe n GLY 211 N 4.61 -0.84 3.01 0.72 0.00 -1.26 -1.45 105.19 109.98 3kfe n GLY 211 Ca 0.49 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 3kfe n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfe s VAL 212 N -4.00 0.54 -0.24 1.61 1.01 -1.20 -3.35 120.40 114.76 3kfe s VAL 212 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3kfe s VAL 212 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3kfe s VAL 212 CO 0.00 -0.02 0.13 -0.22 0.00 0.00 0.00 175.10 174.99 3kfe s LEU 213 N -0.62 3.89 -0.17 3.92 2.96 -1.26 -1.99 118.68 125.40 3kfe s LEU 213 Ca -0.01 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3kfe s LEU 213 Cb -0.05 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3kfe s LEU 213 CO 0.00 0.03 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.27 3kfe s VAL 214 N 1.26 3.13 -0.43 1.68 1.01 -1.07 -5.01 120.40 120.98 3kfe s VAL 214 Ca 0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3kfe s VAL 214 Cb -0.14 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 3kfe s VAL 214 CO 0.05 0.49 3.18 -0.67 0.00 0.00 0.00 175.10 178.15 3kfe n ASP 215 N 4.09 6.25 -3.56 3.32 2.03 -1.26 -1.57 116.55 125.85 3kfe n ASP 215 Ca -0.18 -2.78 -0.22 0.00 0.52 0.00 0.00 54.79 52.13 3kfe n ASP 215 Cb 0.52 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 3kfe n ASP 215 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kfe n LYS 216 N 2.03 0.66 -3.90 -0.67 4.76 -1.26 -5.02 118.16 114.76 3kfe n LYS 216 Ca 0.50 -2.93 -0.11 0.00 -2.87 0.00 0.00 58.31 52.91 3kfe n LYS 216 Cb 0.67 1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 35.28 3kfe n LYS 216 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kfe s GLU 217 N -3.33 0.43 -0.13 1.97 -1.05 -1.26 -3.43 118.70 111.89 3kfe s GLU 217 Ca 0.16 -0.43 -0.41 0.00 -0.15 0.00 0.00 54.97 54.14 3kfe s GLU 217 Cb 0.01 0.17 -0.19 0.00 -0.44 0.00 0.00 34.13 33.68 3kfe s GLU 217 CO 0.11 -0.10 1.32 2.89 0.95 0.00 0.00 175.26 180.44 3kfe n ARG 218 N 1.55 0.35 0.22 -4.83 -4.01 -1.26 -4.72 116.66 103.95 3kfe n ARG 218 Ca -0.23 0.13 0.06 0.00 -1.04 0.00 0.00 57.85 56.77 3kfe n ARG 218 Cb 0.56 -1.67 0.51 0.00 -3.04 0.00 0.00 32.46 28.81 3kfe n ARG 218 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 3kfe h VAL 219 N 3.76 1.04 -3.31 8.89 3.04 -1.13 -3.40 116.25 125.14 3kfe h VAL 219 Ca -0.48 -0.79 -0.68 0.00 -1.01 0.00 0.00 66.70 63.75 3kfe h VAL 219 Cb 1.39 1.44 -0.33 0.00 -2.01 0.00 0.00 31.29 31.78 3kfe h VAL 219 CO 0.78 0.22 -0.87 -0.55 -1.01 0.00 0.00 177.57 176.14 3kfe s SER 220 N -6.79 3.17 0.42 3.17 0.15 -1.26 -5.01 113.70 107.55 3kfe s SER 220 Ca -0.03 -0.55 0.29 0.00 0.70 0.00 0.00 55.95 56.36 3kfe s SER 220 Cb 0.15 -1.44 1.39 0.00 -1.71 0.00 0.00 66.02 64.41 3kfe s SER 220 CO 0.68 0.14 1.89 0.00 1.20 0.00 0.00 173.24 177.15 3kfe h ALA 221 N 6.87 1.00 0.00 5.45 0.00 -1.97 -2.12 119.26 128.48 3kfe h ALA 221 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kfe h ALA 221 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kfe h ALA 221 CO 0.50 0.00 -0.01 0.94 0.00 0.00 0.00 179.25 180.68 3kfe n GLN 222 N -2.60 0.23 -1.23 0.00 7.27 -1.26 -4.88 117.38 114.91 3kfe n GLN 222 Ca -0.00 0.19 -0.31 0.00 0.07 0.00 0.00 57.00 56.95 3kfe n GLN 222 Cb 0.17 -1.76 0.10 0.00 2.41 0.00 0.00 30.24 31.16 3kfe n GLN 222 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3kfe s MET 223 N -3.09 1.98 0.57 3.69 -1.94 -0.80 -4.94 119.30 114.77 3kfe s MET 223 Ca 0.11 1.10 -0.20 0.00 -1.71 0.00 0.00 55.69 54.98 3kfe s MET 223 Cb 0.13 -1.87 -0.05 0.00 2.01 0.00 0.00 34.83 35.05 3kfe s MET 223 CO 0.59 -1.82 1.18 -2.30 -0.01 0.00 0.00 175.02 172.67 3kfe n PRO 224 N -3.63 1.31 -0.14 2.03 -0.02 -1.26 -4.93 135.00 128.36 3kfe n PRO 224 Ca 0.09 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 3kfe n PRO 224 Cb 0.53 -2.38 0.11 0.00 -0.02 0.00 0.00 33.50 31.75 3kfe n PRO 224 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kfe n LYS 225 N -1.03 2.79 -3.67 -0.52 4.81 -1.26 -4.85 118.16 114.43 3kfe n LYS 225 Ca 0.12 -2.00 -0.13 0.00 -0.87 0.00 0.00 58.31 55.44 3kfe n LYS 225 Cb 0.45 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 34.16 3kfe n LYS 225 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kfe s LYS 226 N -1.37 0.70 -0.01 1.64 2.20 -1.26 -3.15 119.74 118.48 3kfe s LYS 226 Ca 0.18 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.67 3kfe s LYS 226 Cb 0.12 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 3kfe s LYS 226 CO 0.08 -0.09 -0.01 0.08 -0.36 0.00 0.00 175.35 175.05 3kfe s VAL 227 N 0.45 0.17 0.14 4.02 1.01 -0.87 -5.03 120.40 120.29 3kfe s VAL 227 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.02 3kfe s VAL 227 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 3kfe s VAL 227 CO -0.01 0.09 -0.01 0.42 0.00 0.00 0.00 175.10 175.59 3kfe s THR 228 N 0.38 3.81 -1.37 3.92 -4.23 -1.26 -1.17 115.64 115.72 3kfe s THR 228 Ca -0.04 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 3kfe s THR 228 Cb -0.06 -2.87 0.11 0.00 1.34 0.00 0.00 72.50 71.02 3kfe s THR 228 CO -0.01 -0.02 0.55 0.47 -0.54 0.00 0.00 174.62 175.07 3kfe n ASP 229 N 0.17 -3.15 -4.74 3.99 8.00 -1.21 -4.89 116.55 114.72 3kfe n ASP 229 Ca -0.10 -0.59 -0.33 0.00 0.71 0.00 0.00 54.79 54.47 3kfe n ASP 229 Cb 0.54 -2.63 0.08 0.00 -0.02 0.00 0.00 41.12 39.10 3kfe n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kfe s ALA 230 N -2.99 2.19 -0.23 2.24 0.00 -0.81 -4.88 121.76 117.29 3kfe s ALA 230 Ca 0.52 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3kfe s ALA 230 Cb -0.28 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3kfe s ALA 230 CO 0.64 -1.74 -0.06 0.15 0.00 0.00 0.00 175.76 174.76 3kfe s LYS 231 N -4.12 3.19 -0.24 0.00 1.02 -1.26 -3.31 119.74 115.02 3kfe s LYS 231 Ca 0.70 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 3kfe s LYS 231 Cb -0.24 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3kfe s LYS 231 CO 0.46 -0.26 0.11 0.42 -0.92 0.00 0.00 175.35 175.16 3kfe s ILE 232 N 1.42 4.83 -0.32 2.17 1.01 -1.16 -2.73 121.20 126.41 3kfe s ILE 232 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 3kfe s ILE 232 Cb -0.15 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.09 3kfe s ILE 232 CO -0.04 0.35 0.14 0.00 0.00 0.00 0.00 174.94 175.39 3kfe s ALA 233 N 1.21 3.19 -0.31 9.38 0.00 -0.39 -0.85 121.76 133.98 3kfe s ALA 233 Ca 0.06 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 3kfe s ALA 233 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 3kfe s ALA 233 CO 0.05 -1.07 0.45 -0.51 0.00 0.00 0.00 175.76 174.67 3kfe s LEU 234 N 1.54 4.22 -0.34 0.00 1.02 -1.26 -1.94 118.68 121.92 3kfe s LEU 234 Ca 0.03 0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.22 3kfe s LEU 234 Cb -0.18 -2.52 0.01 0.00 0.02 0.00 0.00 46.19 43.53 3kfe s LEU 234 CO 0.05 -0.34 0.17 -0.76 0.02 0.00 0.00 176.35 175.49 3kfe s LEU 235 N 2.23 4.37 0.00 1.79 1.43 -0.23 -2.65 118.68 125.61 3kfe s LEU 235 Ca 0.17 -0.79 0.27 0.00 -1.03 0.00 0.00 54.13 52.75 3kfe s LEU 235 Cb -0.16 -1.99 1.45 0.00 0.03 0.00 0.00 46.19 45.52 3kfe s LEU 235 CO 0.11 -0.29 1.94 -3.20 0.23 0.00 0.00 176.35 175.15 3kfe n ASN 236 N 4.97 0.00 -4.66 2.29 2.85 0.63 -1.84 115.26 119.50 3kfe n ASN 236 Ca -0.13 -0.33 -0.24 0.00 -0.11 0.00 0.00 54.58 53.77 3kfe n ASN 236 Cb 0.47 -0.20 0.11 0.00 1.24 0.00 0.00 39.78 41.40 3kfe n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kfe s ALA 238 N -3.21 2.59 -1.00 0.00 0.00 -1.26 -3.90 121.76 114.98 3kfe s ALA 238 Ca 0.66 -1.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.71 3kfe s ALA 238 Cb -0.06 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3kfe s ALA 238 CO 0.45 -1.08 1.58 0.42 0.00 0.00 0.00 175.76 177.14 3kfe s ILE 239 N 1.16 3.81 1.00 0.00 1.01 -1.03 -4.97 121.20 122.18 3kfe s ILE 239 Ca -0.06 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 3kfe s ILE 239 Cb -0.19 -4.80 0.19 0.00 0.01 0.00 0.00 42.46 37.67 3kfe s ILE 239 CO -0.05 -1.69 1.16 -1.61 0.00 0.00 0.00 174.94 172.74 3kfe s GLU 240 N 5.47 0.39 0.02 2.79 8.01 -1.26 -1.89 118.70 132.23 3kfe s GLU 240 Ca 0.52 0.10 -0.00 0.00 0.01 0.00 0.00 54.97 55.60 3kfe s GLU 240 Cb -0.02 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.04 3kfe s GLU 240 CO -0.07 -2.67 0.03 -0.85 0.01 0.00 0.00 175.26 171.71 3kfe n GLU 263 N -4.05 0.04 0.00 1.61 0.28 -1.26 -4.67 120.64 112.59 3kfe n GLU 263 Ca 0.09 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 3kfe n GLU 263 Cb 0.59 0.14 0.00 0.00 1.43 0.00 0.00 31.44 33.60 3kfe n GLU 263 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3kfe n THR 264 N -0.03 0.00 -1.34 3.84 -2.24 -1.26 -5.05 114.28 108.20 3kfe n THR 264 Ca -0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kfe n THR 264 Cb 0.03 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3kfe n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kfe n ALA 265 N -2.53 0.52 -2.57 6.98 0.00 -1.26 -4.99 120.51 116.65 3kfe n ALA 265 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3kfe n ALA 265 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 19.45 19.46 3kfe n ALA 265 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfe n SER 266 N 0.00 0.22 -4.39 0.00 2.88 -1.26 -5.04 113.62 106.04 3kfe n SER 266 Ca -0.01 -2.06 -0.35 0.00 -1.33 0.00 0.00 58.87 55.11 3kfe n SER 266 Cb 0.18 -0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.54 3kfe n SER 266 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3kfe n GLU 267 N -0.48 -0.85 0.00 -1.46 0.28 -1.26 -4.75 120.64 112.12 3kfe n GLU 267 Ca -0.06 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 3kfe n GLU 267 Cb 0.88 -3.99 0.00 0.00 1.43 0.00 0.00 31.44 29.76 3kfe n GLU 267 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3kfe n MET 268 N -4.34 0.55 0.00 3.44 2.81 -1.26 -3.44 117.12 114.89 3kfe n MET 268 Ca -0.15 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 3kfe n MET 268 Cb 0.59 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3kfe n MET 268 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kfe n LEU 269 N 0.11 0.00 0.28 4.03 7.99 -1.26 -4.42 117.00 123.72 3kfe n LEU 269 Ca 0.00 -0.34 0.16 0.00 -0.01 0.00 0.00 56.01 55.81 3kfe n LEU 269 Cb 0.12 0.00 0.76 0.00 -0.11 0.00 0.00 43.42 44.19 3kfe n LEU 269 CO 0.00 0.00 0.99 0.11 -1.51 0.00 0.00 177.39 176.98 3kfe h LYS 270 N 0.00 0.00 0.27 3.23 1.57 -1.95 0.33 116.57 120.02 3kfe h LYS 270 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kfe h LYS 270 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kfe h LYS 270 CO 0.00 0.08 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.38 3kfe h ASP 271 N 0.00 -0.31 -0.93 0.86 3.45 -1.82 -1.90 116.42 115.77 3kfe h ASP 271 Ca -0.00 0.01 0.13 0.00 0.43 0.00 0.00 57.03 57.60 3kfe h ASP 271 Cb 0.40 0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 39.18 3kfe h ASP 271 CO 0.01 -0.18 0.59 0.24 -1.57 0.00 0.00 179.24 178.34 3kfe h MET 272 N -0.45 0.79 0.00 3.56 2.86 -1.75 -1.10 114.93 118.83 3kfe h MET 272 Ca -0.04 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3kfe h MET 272 Cb 0.28 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3kfe h MET 272 CO 0.06 0.52 -0.59 0.28 1.06 0.00 0.00 176.91 178.24 3kfe h VAL 273 N 0.81 1.13 0.00 -2.22 2.07 -1.00 -3.21 116.25 113.82 3kfe h VAL 273 Ca 0.47 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3kfe h VAL 273 Cb 0.62 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3kfe h VAL 273 CO -0.23 0.58 -1.05 0.00 0.02 0.00 0.00 177.57 176.89 3kfe n ALA 274 N -2.30 4.36 0.17 1.67 0.00 -0.72 -3.45 120.51 120.25 3kfe n ALA 274 Ca 0.01 -0.55 0.05 0.00 0.00 0.00 0.00 53.44 52.94 3kfe n ALA 274 Cb 0.70 -0.82 0.15 0.00 0.00 0.00 0.00 19.45 19.48 3kfe n ALA 274 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kfe h GLU 275 N 0.00 0.00 0.15 0.00 5.08 -1.25 -2.59 114.58 115.96 3kfe h GLU 275 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 3kfe h GLU 275 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3kfe h GLU 275 CO 0.00 0.40 -1.45 0.82 -1.00 0.00 0.00 179.01 177.78 3kfe h ILE 276 N 0.00 1.27 0.00 3.13 2.04 -1.67 -3.20 117.51 119.08 3kfe h ILE 276 Ca -0.00 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.01 3kfe h ILE 276 Cb 1.19 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.14 3kfe h ILE 276 CO 0.05 0.85 0.00 1.17 0.00 0.00 0.00 178.15 180.22 3kfe n LYS 277 N -3.54 0.17 0.09 2.37 4.81 -1.22 -2.85 118.16 117.98 3kfe n LYS 277 Ca -0.15 0.31 -0.06 0.00 -0.87 0.00 0.00 58.31 57.54 3kfe n LYS 277 Cb 1.05 -1.76 0.07 0.00 0.02 0.00 0.00 35.03 34.41 3kfe n LYS 277 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kfe h ALA 278 N 2.43 0.73 0.00 3.14 0.00 -1.46 -3.17 119.26 120.94 3kfe h ALA 278 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3kfe h ALA 278 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kfe h ALA 278 CO 0.00 0.82 -0.27 0.66 0.00 0.00 0.00 179.25 180.45 3kfe h SER 279 N 0.13 0.00 0.00 0.00 4.64 -1.59 -3.48 113.55 113.24 3kfe h SER 279 Ca -0.02 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kfe h SER 279 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kfe h SER 279 CO 0.11 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3kfe n GLY 280 N 1.27 1.08 3.59 -0.77 0.00 -1.20 -4.69 105.19 104.47 3kfe n GLY 280 Ca 0.04 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3kfe n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe s ALA 281 N -2.00 3.52 -1.92 4.61 0.00 -1.23 -4.72 121.76 120.02 3kfe s ALA 281 Ca 0.00 -0.80 0.19 0.00 0.00 0.00 0.00 51.96 51.36 3kfe s ALA 281 Cb 0.00 -3.00 0.58 0.00 0.00 0.00 0.00 23.12 20.70 3kfe s ALA 281 CO 0.00 -1.04 1.48 0.27 0.00 0.00 0.00 175.76 176.47 3kfe n ASN 282 N 5.73 3.52 -3.74 0.00 0.23 -1.11 -4.71 115.26 115.17 3kfe n ASN 282 Ca -0.04 -2.04 -0.13 0.00 -0.53 0.00 0.00 54.58 51.85 3kfe n ASN 282 Cb 0.49 -0.44 -0.11 0.00 -2.08 0.00 0.00 39.78 37.64 3kfe n ASN 282 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kfe s VAL 283 N -1.20 -0.00 -0.09 3.53 1.01 -1.22 -1.97 120.40 120.46 3kfe s VAL 283 Ca 0.43 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 3kfe s VAL 283 Cb 0.23 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 36.14 3kfe s VAL 283 CO 0.29 0.00 0.18 -0.22 0.00 0.00 0.00 175.10 175.35 3kfe s LEU 284 N 0.30 0.10 -0.32 3.92 2.96 0.16 -1.26 118.68 124.53 3kfe s LEU 284 Ca -0.01 0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 3kfe s LEU 284 Cb -0.03 0.40 0.03 0.00 0.50 0.00 0.00 46.19 47.09 3kfe s LEU 284 CO -0.01 -0.22 0.10 -0.36 -1.32 0.00 0.00 176.35 174.55 3kfe s PHE 285 N 1.99 3.21 -0.15 5.38 0.40 -0.82 -1.84 117.98 126.16 3kfe s PHE 285 Ca -0.01 -1.25 -0.05 0.00 -0.60 0.00 0.00 56.93 55.02 3kfe s PHE 285 Cb -0.12 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 3kfe s PHE 285 CO -0.06 -0.67 0.03 0.00 0.70 0.00 0.00 175.22 175.21 3kfe h GLN 287 N 6.32 0.13 0.00 0.00 4.15 -1.59 -0.66 115.11 123.45 3kfe h GLN 287 Ca -0.39 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 58.82 3kfe h GLN 287 Cb 1.18 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.95 3kfe h GLN 287 CO 0.65 1.09 0.00 1.63 -1.93 0.00 0.00 178.83 180.27 3kfe n LYS 288 N -3.45 2.78 -3.35 1.69 4.76 -1.25 -3.61 118.16 115.73 3kfe n LYS 288 Ca -0.04 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.07 3kfe n LYS 288 Cb 0.97 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 34.10 3kfe n LYS 288 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfe s GLY 289 N -0.78 2.35 -0.31 0.72 0.00 -1.26 -1.18 107.32 106.86 3kfe s GLY 289 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.55 3kfe s GLY 289 CO 0.00 0.03 0.01 -0.42 0.00 0.00 0.00 173.10 172.71 3kfe s ILE 290 N -1.72 2.76 0.94 0.90 1.01 -1.26 -2.47 121.20 121.37 3kfe s ILE 290 Ca 0.45 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 3kfe s ILE 290 Cb -0.12 -2.68 0.09 0.00 0.01 0.00 0.00 42.46 39.76 3kfe s ILE 290 CO 0.20 -0.21 0.76 -0.67 0.00 0.00 0.00 174.94 175.02 3kfe n ASP 291 N 4.53 -0.93 0.28 3.58 -0.08 -0.79 -4.75 116.55 118.39 3kfe n ASP 291 Ca -0.10 0.36 0.17 0.00 -1.51 0.00 0.00 54.79 53.71 3kfe n ASP 291 Cb 0.43 -1.33 0.72 0.00 2.34 0.00 0.00 41.12 43.27 3kfe n ASP 291 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3kfe h ASP 292 N -1.75 0.00 0.11 1.67 3.32 -1.95 -2.47 116.42 115.35 3kfe h ASP 292 Ca -0.44 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.36 3kfe h ASP 292 Cb 1.28 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.85 3kfe h ASP 292 CO 0.38 0.02 -1.06 -0.07 -1.72 0.00 0.00 179.24 176.79 3kfe h LEU 293 N 0.00 0.74 -0.10 1.55 3.38 -1.94 -3.26 115.31 115.68 3kfe h LEU 293 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3kfe h LEU 293 Cb 0.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kfe h LEU 293 CO 0.00 1.51 0.00 0.00 0.09 0.00 0.00 178.44 180.04 3kfe n ALA 294 N -2.66 2.58 -0.05 1.53 0.00 -1.06 -2.80 120.51 118.04 3kfe n ALA 294 Ca -0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 3kfe n ALA 294 Cb 0.90 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 3kfe n ALA 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kfe n GLN 295 N -0.62 0.66 0.07 0.00 6.02 -0.96 -3.95 117.38 118.59 3kfe n GLN 295 Ca 0.11 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 57.12 3kfe n GLN 295 Cb 0.07 -1.67 -0.13 0.00 1.02 0.00 0.00 30.24 29.53 3kfe n GLN 295 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3kfe h HIS 296 N 0.00 0.24 0.00 1.08 2.76 -1.57 -3.01 115.15 114.66 3kfe h HIS 296 Ca -0.38 -0.17 -0.10 0.00 -2.20 0.00 0.00 60.37 57.52 3kfe h HIS 296 Cb 2.05 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.99 3kfe h HIS 296 CO 0.00 1.15 -0.45 1.88 -1.30 0.00 0.00 177.93 179.21 3kfe h TYR 297 N 0.04 0.00 0.01 5.26 0.05 -1.73 -1.85 116.97 118.73 3kfe h TYR 297 Ca -0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 3kfe h TYR 297 Cb 1.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.64 3kfe h TYR 297 CO 0.03 0.45 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.52 3kfe h LEU 298 N 0.00 -0.01 -1.21 3.88 3.38 -1.69 -2.96 115.31 116.71 3kfe h LEU 298 Ca -0.00 -0.83 0.17 0.00 0.09 0.00 0.00 57.88 57.30 3kfe h LEU 298 Cb 1.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 3kfe h LEU 298 CO 0.06 0.84 0.60 0.00 0.09 0.00 0.00 178.44 180.04 3kfe h ALA 299 N 0.09 1.82 0.00 1.53 0.00 -1.53 -0.28 119.26 120.89 3kfe h ALA 299 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kfe h ALA 299 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kfe h ALA 299 CO 0.00 -0.12 -0.35 -0.22 0.00 0.00 0.00 179.25 178.56 3kfe h LYS 300 N 0.70 0.00 0.00 0.00 3.64 -1.39 -3.15 116.57 116.36 3kfe h LYS 300 Ca 0.50 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.76 3kfe h LYS 300 Cb 0.85 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 3kfe h LYS 300 CO -0.26 0.35 -1.10 0.93 -2.27 0.00 0.00 179.45 177.10 3kfe h GLU 301 N 0.00 0.00 0.00 1.90 4.39 -0.89 -3.48 114.58 116.50 3kfe h GLU 301 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kfe h GLU 301 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3kfe h GLU 301 CO 0.05 0.28 0.00 0.41 -1.16 0.00 0.00 179.01 178.58 3kfe n GLY 302 N 1.31 0.90 3.66 -3.84 0.00 -0.87 -5.09 105.19 101.28 3kfe n GLY 302 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3kfe n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfe s ILE 303 N -2.00 5.06 0.20 -0.61 1.01 -1.07 -4.69 121.20 119.10 3kfe s ILE 303 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 61.53 3kfe s ILE 303 Cb 0.00 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 3kfe s ILE 303 CO 0.00 0.15 0.74 -0.69 0.00 0.00 0.00 174.94 175.14 3kfe s VAL 304 N 1.72 4.50 -0.03 2.92 1.01 -0.83 -4.26 120.40 125.44 3kfe s VAL 304 Ca 0.27 1.43 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 3kfe s VAL 304 Cb -0.16 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.30 3kfe s VAL 304 CO 0.10 0.31 0.26 0.00 0.00 0.00 0.00 175.10 175.77 3kfe s ALA 305 N -1.40 -0.64 -0.05 5.51 0.00 -1.26 0.41 121.76 124.33 3kfe s ALA 305 Ca 0.40 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3kfe s ALA 305 Cb -0.19 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3kfe s ALA 305 CO 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 175.76 175.67 3kfe s ALA 306 N -1.00 1.04 0.12 0.00 0.00 -0.76 -0.42 121.76 120.73 3kfe s ALA 306 Ca -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3kfe s ALA 306 Cb -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3kfe s ALA 306 CO 0.03 0.11 0.25 -0.98 0.00 0.00 0.00 175.76 175.17 3kfe s ARG 307 N 0.50 3.42 -1.27 0.00 1.70 -1.26 -0.63 118.95 121.41 3kfe s ARG 307 Ca -0.09 -0.56 -0.01 0.00 -0.47 0.00 0.00 55.73 54.60 3kfe s ARG 307 Cb -0.13 -2.98 -0.00 0.00 -0.57 0.00 0.00 34.95 31.27 3kfe s ARG 307 CO 0.02 0.55 0.77 0.54 -1.08 0.00 0.00 175.30 176.10 3kfe n ARG 308 N -0.26 -4.98 -2.77 3.89 1.74 -0.29 -4.94 116.66 109.04 3kfe n ARG 308 Ca -0.06 0.67 -0.40 0.00 -0.77 0.00 0.00 57.85 57.28 3kfe n ARG 308 Cb 0.53 -5.30 -0.05 0.00 -1.02 0.00 0.00 32.46 26.62 3kfe n ARG 308 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kfe s VAL 309 N -3.59 4.30 0.26 1.55 1.01 -0.97 -4.98 120.40 117.98 3kfe s VAL 309 Ca 0.04 2.03 -0.27 0.00 0.00 0.00 0.00 61.98 63.77 3kfe s VAL 309 Cb -0.01 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 3kfe s VAL 309 CO 0.80 0.42 0.67 0.29 0.00 0.00 0.00 175.10 177.28 3kfe n LYS 310 N 2.09 0.51 -0.17 2.72 4.76 -1.26 -4.59 118.16 122.22 3kfe n LYS 310 Ca -0.01 0.18 0.01 0.00 -2.87 0.00 0.00 58.31 55.62 3kfe n LYS 310 Cb 0.48 -1.33 0.28 0.00 -1.84 0.00 0.00 35.03 32.62 3kfe n LYS 310 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kfe h LYS 311 N 1.29 0.89 -0.49 1.97 3.64 -1.94 -1.25 116.57 120.68 3kfe h LYS 311 Ca -0.33 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3kfe h LYS 311 Cb 1.40 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3kfe h LYS 311 CO 0.57 0.60 0.17 0.66 -2.27 0.00 0.00 179.45 179.17 3kfe h SER 312 N 0.92 0.65 0.89 4.20 4.64 -2.01 -1.81 113.55 121.03 3kfe h SER 312 Ca 0.25 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3kfe h SER 312 Cb -0.10 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3kfe h SER 312 CO -0.05 0.61 0.00 0.47 -0.87 0.00 0.00 176.83 176.99 3kfe n ASP 313 N -4.33 0.34 0.05 4.97 8.00 -0.53 -2.39 116.55 122.66 3kfe n ASP 313 Ca 0.04 0.56 -0.19 0.00 0.71 0.00 0.00 54.79 55.90 3kfe n ASP 313 Cb 0.18 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.49 3kfe n ASP 313 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3kfe h MET 314 N 0.00 0.28 -0.10 -1.24 2.86 -0.70 -2.97 114.93 113.05 3kfe h MET 314 Ca 0.00 -0.48 -0.19 0.00 -2.06 0.00 0.00 59.70 56.97 3kfe h MET 314 Cb 0.44 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3kfe h MET 314 CO 0.00 1.15 -0.73 0.93 1.06 0.00 0.00 176.91 179.32 3kfe h GLU 315 N 0.08 0.49 -0.65 1.72 5.08 -1.52 -0.29 114.58 119.50 3kfe h GLU 315 Ca -0.32 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 57.71 3kfe h GLU 315 Cb 2.05 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 31.32 3kfe h GLU 315 CO 0.15 1.03 0.34 0.87 -1.00 0.00 0.00 179.01 180.40 3kfe h LYS 316 N 0.34 0.61 -0.04 2.33 1.79 -1.58 -1.92 116.57 118.09 3kfe h LYS 316 Ca -0.03 -0.04 -0.21 0.00 -2.18 0.00 0.00 60.65 58.19 3kfe h LYS 316 Cb 1.32 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3kfe h LYS 316 CO 0.13 0.40 -0.86 -0.07 -1.08 0.00 0.00 179.45 177.98 3kfe h LEU 317 N 0.63 0.59 -0.51 2.94 3.38 -1.49 -2.44 115.31 118.41 3kfe h LEU 317 Ca 0.30 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3kfe h LEU 317 Cb 0.22 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3kfe h LEU 317 CO -0.20 1.21 0.11 0.00 0.09 0.00 0.00 178.44 179.65 3kfe h ALA 318 N 0.76 0.59 0.17 1.53 0.00 -0.64 -3.14 119.26 118.53 3kfe h ALA 318 Ca -0.06 0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 3kfe h ALA 318 Cb 1.47 0.14 0.02 0.00 0.00 0.00 0.00 17.79 19.42 3kfe h ALA 318 CO 0.15 -0.30 -1.36 0.87 0.00 0.00 0.00 179.25 178.61 3kfe h LYS 319 N 0.25 0.36 -0.24 0.00 1.57 -1.39 -1.71 116.57 115.41 3kfe h LYS 319 Ca 0.26 -0.61 -0.14 0.00 -1.87 0.00 0.00 60.65 58.28 3kfe h LYS 319 Cb 0.35 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3kfe h LYS 319 CO -0.33 1.29 -0.45 0.00 -0.57 0.00 0.00 179.45 179.40 3kfe h ALA 320 N 0.06 0.77 0.07 3.86 0.00 -1.48 -3.21 119.26 119.34 3kfe h ALA 320 Ca -0.27 -0.46 -0.30 0.00 0.00 0.00 0.00 54.91 53.88 3kfe h ALA 320 Cb 1.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3kfe h ALA 320 CO 0.16 0.66 -1.64 1.79 0.00 0.00 0.00 179.25 180.22 3kfe h THR 321 N 0.49 0.99 -0.11 0.00 1.35 -1.75 -3.34 112.91 110.53 3kfe h THR 321 Ca 0.03 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 3kfe h THR 321 Cb 0.97 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 3kfe h THR 321 CO 0.09 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 3kfe n GLY 322 N 1.67 0.98 0.00 5.82 0.00 -1.22 -2.51 105.19 109.94 3kfe n GLY 322 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3kfe n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe n ALA 323 N -0.28 0.00 -3.74 4.61 0.00 -0.65 -4.12 120.51 116.34 3kfe n ALA 323 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kfe n ALA 323 Cb 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 3kfe n ALA 323 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kfe s ASN 324 N -0.96 -0.20 -0.67 0.00 0.01 -0.98 -4.82 114.94 107.31 3kfe s ASN 324 Ca 0.00 0.43 -0.27 0.00 -0.71 0.00 0.00 52.86 52.31 3kfe s ASN 324 Cb 0.00 0.31 0.02 0.00 0.41 0.00 0.00 41.25 41.99 3kfe s ASN 324 CO 0.00 -0.16 1.38 -0.69 -1.51 0.00 0.00 177.10 176.12 3kfe s VAL 325 N 1.23 3.71 -0.22 1.60 1.01 -1.26 -4.34 120.40 122.13 3kfe s VAL 325 Ca -0.09 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3kfe s VAL 325 Cb -0.11 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 3kfe s VAL 325 CO -0.07 -1.55 0.23 -0.63 0.00 0.00 0.00 175.10 173.08 3kfe s ILE 326 N 6.20 5.31 -0.05 2.22 -1.09 -1.09 -4.83 121.20 127.87 3kfe s ILE 326 Ca 0.43 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 3kfe s ILE 326 Cb -0.09 -3.57 -0.24 0.00 -1.58 0.00 0.00 42.46 36.97 3kfe s ILE 326 CO 0.19 0.32 0.63 0.74 -1.23 0.00 0.00 174.94 175.59 3kfe h THR 327 N 4.99 0.85 -3.48 2.92 2.02 -1.89 0.18 112.91 118.50 3kfe h THR 327 Ca -0.38 -2.64 -0.72 0.00 0.77 0.00 0.00 66.41 63.45 3kfe h THR 327 Cb 1.17 2.50 -0.21 0.00 -1.74 0.00 0.00 68.15 69.87 3kfe h THR 327 CO 0.68 0.65 -0.36 0.21 0.37 0.00 0.00 175.52 177.07 3kfe s ASN 328 N -6.47 6.13 0.57 4.18 2.47 -1.26 -4.12 114.94 116.44 3kfe s ASN 328 Ca -0.10 -0.90 0.29 0.00 0.42 0.00 0.00 52.86 52.57 3kfe s ASN 328 Cb 0.08 -2.18 1.73 0.00 -1.45 0.00 0.00 41.25 39.43 3kfe s ASN 328 CO 0.81 -0.51 2.22 -0.29 -3.72 0.00 0.00 177.10 175.61 3kfe h ILE 329 N 5.67 0.56 -0.32 -5.21 2.10 -2.01 -1.21 117.51 117.09 3kfe h ILE 329 Ca -0.27 -0.11 -0.11 0.00 1.08 0.00 0.00 64.86 65.46 3kfe h ILE 329 Cb 1.12 1.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 3kfe h ILE 329 CO 0.76 0.02 -0.21 0.11 -1.08 0.00 0.00 178.15 177.75 3kfe h LYS 330 N 0.00 0.71 -0.99 2.19 1.79 -1.97 -3.10 116.57 115.20 3kfe h LYS 330 Ca -0.00 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 3kfe h LYS 330 Cb 0.07 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3kfe h LYS 330 CO 0.00 0.94 0.01 -3.47 -1.08 0.00 0.00 179.45 175.86 3kfe n ASP 331 N -4.31 1.79 -4.56 0.86 2.03 -0.46 -4.74 116.55 107.17 3kfe n ASP 331 Ca -0.03 -2.06 -0.36 0.00 0.52 0.00 0.00 54.79 52.86 3kfe n ASP 331 Cb 0.43 -0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 40.28 3kfe n ASP 331 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kfe s LEU 332 N -0.15 3.34 1.09 -2.67 2.96 -1.17 -4.98 118.68 117.10 3kfe s LEU 332 Ca 0.03 -0.97 -0.14 0.00 -0.22 0.00 0.00 54.13 52.82 3kfe s LEU 332 Cb 0.02 -2.56 0.23 0.00 0.50 0.00 0.00 46.19 44.38 3kfe s LEU 332 CO 0.01 -1.98 1.08 -0.55 -1.32 0.00 0.00 176.35 173.59 3kfe s SER 333 N 5.98 1.84 0.00 3.68 0.15 -1.26 -4.77 113.70 119.31 3kfe s SER 333 Ca 0.53 1.06 0.21 0.00 0.70 0.00 0.00 55.95 58.45 3kfe s SER 333 Cb -0.04 -1.63 0.66 0.00 -1.71 0.00 0.00 66.02 63.31 3kfe s SER 333 CO -0.02 -3.60 1.51 0.00 1.20 0.00 0.00 173.24 172.32 3kfe n ALA 334 N -4.47 2.50 0.01 5.45 0.00 -1.26 -3.72 120.51 119.01 3kfe n ALA 334 Ca 0.07 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.90 3kfe n ALA 334 Cb 0.58 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 19.04 3kfe n ALA 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kfe n GLN 335 N 0.59 1.90 -0.26 0.00 3.00 -1.26 -4.50 117.38 116.85 3kfe n GLN 335 Ca 0.17 -1.41 0.05 0.00 -0.01 0.00 0.00 57.00 55.80 3kfe n GLN 335 Cb 0.39 -1.10 0.18 0.00 0.00 0.00 0.00 30.24 29.71 3kfe n GLN 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kfe n ASP 336 N 0.01 2.36 -4.82 1.08 10.43 -1.24 -4.86 116.55 119.50 3kfe n ASP 336 Ca 0.04 -2.12 -0.36 0.00 2.57 0.00 0.00 54.79 54.92 3kfe n ASP 336 Cb 0.25 -0.34 -0.07 0.00 1.84 0.00 0.00 41.12 42.81 3kfe n ASP 336 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kfe s LEU 337 N -1.10 4.33 0.00 0.64 1.43 -1.26 -2.33 118.68 120.39 3kfe s LEU 337 Ca 0.26 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3kfe s LEU 337 Cb 0.15 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3kfe s LEU 337 CO 0.15 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.65 3kfe n GLY 338 N 2.53 -1.05 3.02 -3.19 0.00 -0.03 -4.58 105.19 101.89 3kfe n GLY 338 Ca -0.18 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 3kfe n GLY 338 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfe s ASP 339 N -1.00 0.25 -0.04 1.61 2.15 -1.04 -2.99 116.67 115.60 3kfe s ASP 339 Ca 0.00 0.49 0.04 0.00 0.43 0.00 0.00 52.55 53.51 3kfe s ASP 339 Cb 0.00 1.00 -0.00 0.00 -0.30 0.00 0.00 42.92 43.62 3kfe s ASP 339 CO 0.00 -0.27 -0.15 0.00 -0.17 0.00 0.00 175.17 174.58 3kfe s ALA 340 N 2.51 1.40 -1.92 3.66 0.00 -1.21 -4.01 121.76 122.19 3kfe s ALA 340 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3kfe s ALA 340 Cb -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3kfe s ALA 340 CO -0.13 0.24 0.63 0.41 0.00 0.00 0.00 175.76 176.91 3kfe n GLY 341 N 3.26 -0.52 3.65 0.00 0.00 -0.71 -1.92 105.19 108.94 3kfe n GLY 341 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3kfe n GLY 341 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kfe s LEU 342 N -0.92 -0.15 -0.21 0.99 0.20 -1.24 -3.33 118.68 114.02 3kfe s LEU 342 Ca 0.00 0.25 -0.00 0.00 0.69 0.00 0.00 54.13 55.07 3kfe s LEU 342 Cb 0.00 1.23 0.05 0.00 -0.43 0.00 0.00 46.19 47.04 3kfe s LEU 342 CO 0.00 -0.04 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.29 3kfe s VAL 343 N 1.00 1.28 0.01 1.68 1.01 -0.31 -2.16 120.40 122.90 3kfe s VAL 343 Ca -0.07 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3kfe s VAL 343 Cb -0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3kfe s VAL 343 CO -0.11 -0.04 -0.05 -0.70 0.00 0.00 0.00 175.10 174.20 3kfe s GLU 344 N 1.53 0.39 -0.38 2.72 2.12 0.49 -2.04 118.70 123.53 3kfe s GLU 344 Ca -0.03 -0.35 -0.20 0.00 0.36 0.00 0.00 54.97 54.76 3kfe s GLU 344 Cb -0.17 -0.28 0.01 0.00 0.26 0.00 0.00 34.13 33.94 3kfe s GLU 344 CO -0.07 0.07 0.59 -2.00 -0.54 0.00 0.00 175.26 173.31 3kfe s GLU 345 N -0.60 3.55 0.20 4.30 2.12 -1.19 0.59 118.70 127.66 3kfe s GLU 345 Ca -0.03 -0.14 0.10 0.00 0.36 0.00 0.00 54.97 55.25 3kfe s GLU 345 Cb -0.04 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 3kfe s GLU 345 CO -0.00 -0.77 -0.12 1.03 -0.54 0.00 0.00 175.26 174.85 3kfe s ARG 346 N 2.61 1.95 -0.32 4.30 0.52 -0.30 -4.95 118.95 122.78 3kfe s ARG 346 Ca 0.22 -1.36 -0.14 0.00 -0.52 0.00 0.00 55.73 53.93 3kfe s ARG 346 Cb -0.15 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 3kfe s ARG 346 CO 0.15 0.42 0.30 0.15 0.02 0.00 0.00 175.30 176.34 3kfe s LYS 347 N -2.91 3.71 -0.19 3.54 1.02 -1.26 -0.30 119.74 123.35 3kfe s LYS 347 Ca 0.25 -0.36 -0.00 0.00 0.02 0.00 0.00 55.97 55.87 3kfe s LYS 347 Cb -0.08 -3.75 0.05 0.00 -0.52 0.00 0.00 37.83 33.53 3kfe s LYS 347 CO 0.14 -0.39 -0.04 -1.50 -0.92 0.00 0.00 175.35 172.64 3kfe s ILE 348 N 1.91 1.17 -1.01 2.17 1.10 -0.35 -4.74 121.20 121.45 3kfe s ILE 348 Ca 0.10 -0.79 -0.06 0.00 -0.51 0.00 0.00 60.65 59.40 3kfe s ILE 348 Cb -0.16 -1.40 0.01 0.00 0.15 0.00 0.00 42.46 41.05 3kfe s ILE 348 CO 0.11 0.03 0.75 -0.24 -2.11 0.00 0.00 174.94 173.48 3kfe n SER 349 N 4.83 -5.08 0.00 4.50 2.88 -1.26 -3.79 113.62 115.70 3kfe n SER 349 Ca -0.12 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 3kfe n SER 349 Cb 0.47 -3.74 0.00 0.00 -0.75 0.00 0.00 64.21 60.19 3kfe n SER 349 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kfe n GLY 350 N -1.52 2.32 3.76 0.46 0.00 -1.26 -4.88 105.19 104.07 3kfe n GLY 350 Ca -0.02 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 3kfe n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfe s ASP 351 N 0.00 5.59 -0.25 1.61 1.01 -1.25 -4.90 116.67 118.47 3kfe s ASP 351 Ca 0.00 2.55 -0.07 0.00 0.71 0.00 0.00 52.55 55.74 3kfe s ASP 351 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3kfe s ASP 351 CO 0.00 -1.34 0.05 -0.94 0.21 0.00 0.00 175.17 173.15 3kfe s SER 352 N -1.19 4.95 0.29 0.27 1.04 -1.26 -1.22 113.70 116.59 3kfe s SER 352 Ca 0.69 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.87 3kfe s SER 352 Cb -0.35 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 63.84 3kfe s SER 352 CO 0.41 -0.06 -0.08 -0.04 0.98 0.00 0.00 173.24 174.45 3kfe s MET 353 N 1.57 1.61 -0.52 4.02 -1.94 0.58 -4.62 119.30 120.00 3kfe s MET 353 Ca 0.06 -1.81 -0.15 0.00 -1.71 0.00 0.00 55.69 52.08 3kfe s MET 353 Cb -0.15 -1.31 0.12 0.00 2.01 0.00 0.00 34.83 35.50 3kfe s MET 353 CO 0.02 0.09 0.47 0.42 -0.01 0.00 0.00 175.02 176.00 3kfe s ILE 354 N -2.89 5.05 -0.02 2.53 1.01 -0.61 -1.14 121.20 125.13 3kfe s ILE 354 Ca 0.30 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 3kfe s ILE 354 Cb 0.03 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 3kfe s ILE 354 CO 0.13 -0.83 1.04 -0.36 0.00 0.00 0.00 174.94 174.91 3kfe s PHE 355 N 1.57 3.55 -0.66 3.97 0.40 0.20 -2.58 117.98 124.42 3kfe s PHE 355 Ca 0.03 1.57 0.04 0.00 -0.60 0.00 0.00 56.93 57.98 3kfe s PHE 355 Cb -0.29 -3.21 0.32 0.00 0.51 0.00 0.00 43.02 40.35 3kfe s PHE 355 CO 0.03 -0.37 1.04 0.28 0.70 0.00 0.00 175.22 176.90 3kfe n VAL 356 N 4.12 3.41 -2.15 -0.44 0.31 -0.84 -0.38 118.33 122.36 3kfe n VAL 356 Ca 0.08 -5.59 -0.02 0.00 -0.01 0.00 0.00 64.34 58.79 3kfe n VAL 356 Cb 0.49 -1.55 0.01 0.00 -0.91 0.00 0.00 33.84 31.89 3kfe n VAL 356 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kfe n GLU 357 N -0.01 0.48 -4.17 5.55 0.28 -0.92 -3.24 120.64 118.60 3kfe n GLU 357 Ca 0.33 -0.26 -0.29 0.00 -0.16 0.00 0.00 57.16 56.77 3kfe n GLU 357 Cb 0.38 -0.07 -0.07 0.00 1.43 0.00 0.00 31.44 33.11 3kfe n GLU 357 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kfe n GLU 358 N -1.19 -1.96 -1.53 3.44 1.02 -1.23 -3.53 120.64 115.65 3kfe n GLU 358 Ca 0.02 0.23 -0.29 0.00 -0.02 0.00 0.00 57.16 57.09 3kfe n GLU 358 Cb 0.06 -4.04 0.12 0.00 -0.02 0.00 0.00 31.44 27.55 3kfe n GLU 358 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfe h LYS 360 N -1.36 0.00 -2.91 0.00 1.79 -1.84 -3.44 116.57 108.81 3kfe h LYS 360 Ca -0.49 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.36 3kfe h LYS 360 Cb 1.31 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.55 3kfe h LYS 360 CO 0.61 0.00 -0.64 1.58 -1.08 0.00 0.00 179.45 179.92 3kfe n HIS 361 N -3.70 2.62 -2.29 -1.35 -0.00 -1.26 -5.09 115.22 104.15 3kfe n HIS 361 Ca -0.03 -4.15 -0.42 0.00 0.46 0.00 0.00 57.72 53.58 3kfe n HIS 361 Cb 0.11 -0.49 -0.03 0.00 -0.12 0.00 0.00 29.99 29.47 3kfe n HIS 361 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3kfe s PRO 362 N -1.31 4.34 0.00 1.57 0.02 -1.25 -4.75 135.00 133.62 3kfe s PRO 362 Ca 0.27 1.90 0.11 0.00 0.02 0.00 0.00 61.00 63.31 3kfe s PRO 362 Cb -0.02 -3.43 0.25 0.00 0.02 0.00 0.00 34.50 31.32 3kfe s PRO 362 CO -0.17 -0.44 1.14 1.63 -0.33 0.00 0.00 177.00 178.83 3kfe n LYS 363 N 4.63 2.15 -3.99 5.54 4.76 -1.22 -4.61 118.16 125.42 3kfe n LYS 363 Ca 0.11 -1.79 -0.09 0.00 -2.87 0.00 0.00 58.31 53.67 3kfe n LYS 363 Cb 0.44 -1.26 -0.11 0.00 -1.84 0.00 0.00 35.03 32.26 3kfe n LYS 363 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfe s ALA 364 N -0.99 0.18 0.01 7.82 0.00 -1.26 -4.74 121.76 122.78 3kfe s ALA 364 Ca 0.21 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3kfe s ALA 364 Cb 0.12 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3kfe s ALA 364 CO 0.16 -0.15 0.18 0.08 0.00 0.00 0.00 175.76 176.03 3kfe s VAL 365 N -1.52 0.09 -0.10 0.00 1.01 -0.91 -4.10 120.40 114.87 3kfe s VAL 365 Ca -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3kfe s VAL 365 Cb -0.10 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3kfe s VAL 365 CO -0.01 -0.40 -0.20 -0.89 0.00 0.00 0.00 175.10 173.61 3kfe s THR 366 N -1.71 2.46 -0.41 3.92 2.01 0.14 0.11 115.64 122.16 3kfe s THR 366 Ca -0.12 -0.89 -0.17 0.00 0.31 0.00 0.00 61.69 60.83 3kfe s THR 366 Cb -0.05 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.50 3kfe s THR 366 CO 0.01 0.55 0.42 -0.04 -0.69 0.00 0.00 174.62 174.87 3kfe s MET 367 N 0.21 3.14 -0.47 4.92 -1.94 0.17 -0.86 119.30 124.46 3kfe s MET 367 Ca -0.12 -0.74 -0.23 0.00 -1.71 0.00 0.00 55.69 52.89 3kfe s MET 367 Cb -0.16 -3.95 0.03 0.00 2.01 0.00 0.00 34.83 32.76 3kfe s MET 367 CO 0.07 -0.81 0.82 -1.17 -0.01 0.00 0.00 175.02 173.91 3kfe s LEU 368 N 2.10 4.25 0.03 -0.03 2.96 -0.33 -1.17 118.68 126.48 3kfe s LEU 368 Ca 0.12 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 3kfe s LEU 368 Cb -0.17 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.54 3kfe s LEU 368 CO 0.13 -0.99 0.38 -0.63 -1.32 0.00 0.00 176.35 173.92 3kfe s ILE 369 N 3.42 5.11 0.01 6.68 1.01 0.10 -1.36 121.20 136.18 3kfe s ILE 369 Ca 0.30 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.45 3kfe s ILE 369 Cb -0.12 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3kfe s ILE 369 CO 0.22 0.43 0.11 -0.13 0.00 0.00 0.00 174.94 175.57 3kfe s ARG 370 N -1.51 0.50 -0.13 2.79 0.52 -1.26 -2.15 118.95 117.71 3kfe s ARG 370 Ca 0.28 -0.51 -0.33 0.00 -0.52 0.00 0.00 55.73 54.65 3kfe s ARG 370 Cb -0.15 0.20 0.13 0.00 0.52 0.00 0.00 34.95 35.65 3kfe s ARG 370 CO 0.15 -0.12 1.13 0.20 0.02 0.00 0.00 175.30 176.68 3kfe s GLY 371 N -1.58 -0.34 0.06 -3.53 0.00 -0.20 -0.32 107.32 101.42 3kfe s GLY 371 Ca -0.13 1.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 3kfe s GLY 371 CO -0.00 0.45 1.45 -0.91 0.00 0.00 0.00 173.10 174.09 3kfe h THR 372 N 2.00 0.00 -6.29 0.90 1.35 -1.73 -3.36 112.91 105.77 3kfe h THR 372 Ca -0.14 0.00 -0.45 0.00 -0.55 0.00 0.00 66.41 65.28 3kfe h THR 372 Cb 1.19 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.63 3kfe h THR 372 CO 0.25 0.00 -0.08 0.35 -0.25 0.00 0.00 175.52 175.79 3kfe n THR 373 N -4.93 0.00 0.05 6.82 -2.24 -1.26 -4.67 114.28 108.04 3kfe n THR 373 Ca -0.11 -1.77 -0.20 0.00 -2.27 0.00 0.00 64.05 59.70 3kfe n THR 373 Cb 0.40 -0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 67.97 3kfe n THR 373 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kfe h GLU 374 N 0.00 0.35 0.00 -0.78 4.57 -1.99 -2.72 114.58 114.01 3kfe h GLU 374 Ca -0.25 -0.53 -0.02 0.00 -1.18 0.00 0.00 59.36 57.37 3kfe h GLU 374 Cb 1.13 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3kfe h GLU 374 CO 0.36 1.23 -0.10 0.45 -1.18 0.00 0.00 179.01 179.77 3kfe h HIS 375 N -0.25 0.00 -0.27 0.92 3.86 -1.98 -0.94 115.15 116.49 3kfe h HIS 375 Ca -0.13 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3kfe h HIS 375 Cb 1.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.07 3kfe h HIS 375 CO 0.18 0.10 0.06 0.28 0.86 0.00 0.00 177.93 179.42 3kfe h VAL 376 N 0.00 1.21 -0.62 2.45 2.07 -1.97 -2.66 116.25 116.74 3kfe h VAL 376 Ca -0.00 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3kfe h VAL 376 Cb 0.95 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3kfe h VAL 376 CO 0.01 0.23 0.25 0.40 0.02 0.00 0.00 177.57 178.48 3kfe h ILE 377 N 0.27 1.23 -0.01 4.57 2.04 -1.21 -2.89 117.51 121.51 3kfe h ILE 377 Ca 0.08 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 3kfe h ILE 377 Cb 0.29 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kfe h ILE 377 CO 0.00 0.28 -0.47 -0.08 0.00 0.00 0.00 178.15 177.88 3kfe h GLU 378 N 0.86 0.03 0.00 2.37 4.81 -1.11 -1.89 114.58 119.66 3kfe h GLU 378 Ca 0.21 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.17 3kfe h GLU 378 Cb 0.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 3kfe h GLU 378 CO -0.02 0.50 -1.35 1.49 -0.73 0.00 0.00 179.01 178.90 3kfe h GLU 379 N 0.03 0.01 -0.16 1.92 4.57 -1.52 -2.68 114.58 116.75 3kfe h GLU 379 Ca -0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3kfe h GLU 379 Cb 0.85 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3kfe h GLU 379 CO 0.06 0.76 0.01 0.28 -1.18 0.00 0.00 179.01 178.95 3kfe h VAL 380 N 0.00 1.10 -0.15 0.32 2.07 -1.33 -2.07 116.25 116.18 3kfe h VAL 380 Ca -0.15 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 3kfe h VAL 380 Cb 1.89 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3kfe h VAL 380 CO 0.11 0.12 -0.29 0.00 0.02 0.00 0.00 177.57 177.53 3kfe h ALA 381 N 1.80 0.24 0.00 1.67 0.00 -1.31 -1.93 119.26 119.73 3kfe h ALA 381 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3kfe h ALA 381 Cb 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kfe h ALA 381 CO 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 3kfe h ARG 382 N 0.09 0.00 -0.19 0.00 3.08 -1.30 -1.68 114.38 114.37 3kfe h ARG 382 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 3kfe h ARG 382 Cb 0.88 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.94 3kfe h ARG 382 CO 0.06 0.12 -0.59 0.00 -1.07 0.00 0.00 179.97 178.50 3kfe h ALA 383 N 1.88 0.33 -0.10 0.04 0.00 -1.23 -3.12 119.26 117.07 3kfe h ALA 383 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3kfe h ALA 383 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kfe h ALA 383 CO 0.02 0.57 -0.23 0.28 0.00 0.00 0.00 179.25 179.88 3kfe h VAL 384 N 0.45 1.21 -0.06 0.00 2.07 -0.63 -2.08 116.25 117.21 3kfe h VAL 384 Ca -0.02 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 3kfe h VAL 384 Cb 1.21 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3kfe h VAL 384 CO 0.13 0.30 -0.43 0.44 0.02 0.00 0.00 177.57 178.03 3kfe h ASP 385 N 0.16 0.14 0.04 0.57 3.32 -1.35 -1.09 116.42 118.21 3kfe h ASP 385 Ca 0.03 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 3kfe h ASP 385 Cb 0.50 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.03 3kfe h ASP 385 CO 0.03 0.56 -0.70 0.44 -1.72 0.00 0.00 179.24 177.85 3kfe h ASP 386 N 0.11 0.55 0.23 6.45 3.32 -1.42 -2.62 116.42 123.05 3kfe h ASP 386 Ca 0.01 -0.81 -0.00 0.00 0.02 0.00 0.00 57.03 56.25 3kfe h ASP 386 Cb 0.81 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3kfe h ASP 386 CO 0.06 1.29 -0.37 0.00 -1.72 0.00 0.00 179.24 178.50 3kfe h ALA 387 N 0.27 -0.97 -0.61 3.45 0.00 -1.35 -2.01 119.26 118.04 3kfe h ALA 387 Ca -0.10 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.88 3kfe h ALA 387 Cb 1.43 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 3kfe h ALA 387 CO 0.14 -1.02 0.67 0.28 0.00 0.00 0.00 179.25 179.32 3kfe h VAL 388 N -0.64 0.26 0.11 0.00 2.07 -1.27 0.34 116.25 117.11 3kfe h VAL 388 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3kfe h VAL 388 Cb 0.59 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3kfe h VAL 388 CO -0.12 0.00 -0.05 1.23 0.02 0.00 0.00 177.57 178.65 3kfe h GLY 389 N 0.00 -0.15 1.90 2.17 0.00 -1.05 -2.47 103.07 103.48 3kfe h GLY 389 Ca 0.29 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 3kfe h GLY 389 CO -0.00 -0.05 -0.33 -0.39 0.00 0.00 0.00 176.54 175.77 3kfe h VAL 390 N -0.99 1.26 0.33 4.60 -1.51 -0.57 0.34 116.25 119.71 3kfe h VAL 390 Ca -0.01 -1.22 -0.02 0.00 -1.23 0.00 0.00 66.70 64.22 3kfe h VAL 390 Cb 0.39 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3kfe h VAL 390 CO 0.02 0.36 -0.16 0.58 -1.23 0.00 0.00 177.57 177.14 3kfe h VAL 391 N 0.10 0.64 -0.92 7.19 2.07 -1.12 -1.89 116.25 122.32 3kfe h VAL 391 Ca 0.01 -0.56 0.25 0.00 0.82 0.00 0.00 66.70 67.22 3kfe h VAL 391 Cb 0.63 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3kfe h VAL 391 CO 0.05 0.10 0.64 1.23 0.02 0.00 0.00 177.57 179.61 3kfe h GLY 392 N -0.78 0.32 1.98 2.17 0.00 -0.96 -1.29 103.07 104.51 3kfe h GLY 392 Ca -0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 3kfe h GLY 392 CO 0.08 -0.01 -0.75 0.00 0.00 0.00 0.00 176.54 175.85 3kfe h THR 394 N 0.01 0.65 -0.98 0.00 2.02 -0.43 -0.79 112.91 113.40 3kfe h THR 394 Ca -0.01 -1.32 0.14 0.00 0.77 0.00 0.00 66.41 65.99 3kfe h THR 394 Cb 1.32 1.18 -0.15 0.00 -1.74 0.00 0.00 68.15 68.76 3kfe h THR 394 CO 0.10 0.20 -0.42 0.40 0.37 0.00 0.00 175.52 176.17 3kfe h ILE 395 N -0.98 0.01 0.59 3.11 2.04 -1.58 1.34 117.51 122.03 3kfe h ILE 395 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3kfe h ILE 395 Cb 0.42 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3kfe h ILE 395 CO 0.02 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 177.56 3kfe h GLU 396 N -0.01 -0.76 0.36 2.37 5.08 -1.42 -3.36 114.58 116.83 3kfe h GLU 396 Ca 0.31 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3kfe h GLU 396 Cb 0.57 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3kfe h GLU 396 CO -0.97 -0.48 -0.17 -0.44 -1.00 0.00 0.00 179.01 175.95 3kfe h ASP 397 N -0.84 -0.41 0.00 1.42 3.45 -0.73 -3.49 116.42 115.82 3kfe h ASP 397 Ca -0.08 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.30 3kfe h ASP 397 Cb 0.63 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 3kfe h ASP 397 CO 0.13 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.46 3kfe n GLY 398 N 0.37 2.59 3.63 2.75 0.00 0.46 -5.06 105.19 109.91 3kfe n GLY 398 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3kfe n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kfe s ARG 399 N -0.84 2.39 0.19 1.61 0.52 -1.26 -0.11 118.95 121.45 3kfe s ARG 399 Ca 0.00 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.29 3kfe s ARG 399 Cb 0.00 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 3kfe s ARG 399 CO 0.00 0.54 0.20 0.96 0.02 0.00 0.00 175.30 177.03 3kfe s ILE 400 N -1.21 0.03 0.25 1.52 -4.36 -0.24 -2.36 121.20 114.84 3kfe s ILE 400 Ca 0.22 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.85 3kfe s ILE 400 Cb -0.11 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 3kfe s ILE 400 CO 0.14 -0.12 0.13 1.33 0.24 0.00 0.00 174.94 176.66 3kfe n VAL 401 N -0.25 0.00 -3.71 8.37 0.24 -0.10 -0.95 118.33 121.93 3kfe n VAL 401 Ca -0.01 -1.59 -0.37 0.00 -2.04 0.00 0.00 64.34 60.33 3kfe n VAL 401 Cb 0.64 0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 33.56 3kfe n VAL 401 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kfe s SER 402 N -2.63 5.75 0.00 -1.34 1.04 -1.26 -1.17 113.70 114.10 3kfe s SER 402 Ca 0.18 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3kfe s SER 402 Cb 0.01 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.09 3kfe s SER 402 CO 0.13 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.98 3kfe n GLY 403 N 4.60 -1.09 2.33 7.32 0.00 -0.05 -3.03 105.19 115.27 3kfe n GLY 403 Ca -0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 3kfe n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfe n GLY 404 N 2.97 0.38 1.71 -0.02 0.00 -1.26 -1.53 105.19 107.44 3kfe n GLY 404 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kfe n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfe n GLY 405 N -1.66 0.63 0.11 -0.02 0.00 -1.26 -3.44 105.19 99.54 3kfe n GLY 405 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3kfe n GLY 405 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kfe h SER 406 N 0.00 -0.24 0.00 1.61 0.87 -1.38 -2.75 113.55 111.66 3kfe h SER 406 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kfe h SER 406 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3kfe h SER 406 CO 0.00 -0.16 0.00 0.35 -0.53 0.00 0.00 176.83 176.49 3kfe n THR 407 N -2.77 0.00 -0.04 2.23 -2.24 -1.17 -1.22 114.28 109.07 3kfe n THR 407 Ca -0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 3kfe n THR 407 Cb 0.10 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 3kfe n THR 407 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kfe n GLU 408 N -0.69 0.69 -0.01 -0.78 4.71 -1.06 -2.33 120.64 121.18 3kfe n GLU 408 Ca 0.04 0.23 -0.18 0.00 -0.01 0.00 0.00 57.16 57.23 3kfe n GLU 408 Cb 0.02 -1.69 -0.08 0.00 -1.01 0.00 0.00 31.44 28.68 3kfe n GLU 408 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kfe h VAL 409 N 0.03 1.28 0.24 2.62 2.07 -0.94 -1.26 116.25 120.28 3kfe h VAL 409 Ca -0.41 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 3kfe h VAL 409 Cb 2.04 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 3kfe h VAL 409 CO 0.05 0.64 -0.14 -0.08 0.02 0.00 0.00 177.57 178.07 3kfe h GLU 410 N 0.50 -0.34 0.00 1.57 4.57 -1.57 -2.27 114.58 117.04 3kfe h GLU 410 Ca -0.07 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kfe h GLU 410 Cb 1.48 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 3kfe h GLU 410 CO 0.17 -0.23 0.50 1.25 -1.18 0.00 0.00 179.01 179.52 3kfe h LEU 411 N -0.35 0.00 0.05 1.64 5.85 -1.49 0.11 115.31 121.12 3kfe h LEU 411 Ca -0.03 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.34 3kfe h LEU 411 Cb 0.28 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3kfe h LEU 411 CO 0.04 0.00 -2.03 -1.54 -0.34 0.00 0.00 178.44 174.57 3kfe n SER 412 N -2.63 1.43 0.04 1.25 3.41 -0.48 -2.70 113.62 113.94 3kfe n SER 412 Ca -0.01 0.19 -0.19 0.00 -0.26 0.00 0.00 58.87 58.60 3kfe n SER 412 Cb 0.53 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3kfe n SER 412 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kfe h MET 413 N 0.03 0.68 -0.28 4.33 -0.00 -0.40 -1.71 114.93 117.58 3kfe h MET 413 Ca -0.42 -0.73 0.02 0.00 -0.00 0.00 0.00 59.70 58.58 3kfe h MET 413 Cb 2.04 0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 33.81 3kfe h MET 413 CO 0.05 1.31 0.13 0.87 -0.00 0.00 0.00 176.91 179.27 3kfe h LYS 414 N 0.39 0.27 -0.06 -0.10 1.79 -1.53 -0.32 116.57 117.00 3kfe h LYS 414 Ca -0.12 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3kfe h LYS 414 Cb 1.68 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.26 3kfe h LYS 414 CO 0.20 0.18 0.06 -0.07 -1.08 0.00 0.00 179.45 178.74 3kfe h LEU 415 N 0.28 0.00 -0.15 2.94 3.38 -1.47 -1.71 115.31 118.57 3kfe h LEU 415 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3kfe h LEU 415 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kfe h LEU 415 CO -0.09 0.00 -0.97 -0.09 0.09 0.00 0.00 178.44 177.38 3kfe h ARG 416 N 0.00 0.38 -0.06 1.13 2.43 -0.11 -2.58 114.38 115.57 3kfe h ARG 416 Ca 0.03 -0.43 -0.21 0.00 -0.81 0.00 0.00 59.98 58.56 3kfe h ARG 416 Cb 0.15 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3kfe h ARG 416 CO -0.00 1.11 -0.78 1.05 -1.51 0.00 0.00 179.97 179.84 3kfe h GLU 417 N 0.21 0.64 -0.07 0.20 4.11 -0.98 -2.79 114.58 115.90 3kfe h GLU 417 Ca -0.08 -0.60 0.02 0.00 0.07 0.00 0.00 59.36 58.76 3kfe h GLU 417 Cb 1.61 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 3kfe h GLU 417 CO 0.17 1.21 0.32 -0.92 0.07 0.00 0.00 179.01 179.86 3kfe h TYR 418 N 0.28 0.00 -0.01 2.06 3.20 -1.32 -0.65 116.97 120.53 3kfe h TYR 418 Ca -0.08 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.63 3kfe h TYR 418 Cb 1.44 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 3kfe h TYR 418 CO 0.11 0.00 -0.74 0.00 -1.64 0.00 0.00 178.16 175.89 3kfe h ALA 419 N 1.42 0.76 -0.14 1.82 0.00 -1.17 -3.22 119.26 118.72 3kfe h ALA 419 Ca 0.03 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 3kfe h ALA 419 Cb 0.68 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kfe h ALA 419 CO -0.00 0.89 -0.69 0.93 0.00 0.00 0.00 179.25 180.39 3kfe h GLU 420 N 0.04 0.59 -0.79 0.00 5.08 -1.15 -2.98 114.58 115.37 3kfe h GLU 420 Ca -0.01 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3kfe h GLU 420 Cb 1.31 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3kfe h GLU 420 CO 0.10 1.06 0.00 0.41 -1.00 0.00 0.00 179.01 179.59 3kfe n GLY 421 N 0.51 0.71 3.08 -3.84 0.00 -1.22 -4.57 105.19 99.86 3kfe n GLY 421 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3kfe n GLY 421 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfe s ILE 422 N -0.51 1.90 -0.01 -0.61 1.01 -1.13 -5.11 121.20 116.76 3kfe s ILE 422 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 3kfe s ILE 422 Cb 0.00 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 3kfe s ILE 422 CO 0.00 0.48 0.42 -0.94 0.00 0.00 0.00 174.94 174.90 3kfe s SER 423 N 1.35 6.81 0.00 3.58 1.04 -1.26 -4.71 113.70 120.50 3kfe s SER 423 Ca 0.04 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.43 3kfe s SER 423 Cb -0.13 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3kfe s SER 423 CO -0.12 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.01 3kfe n GLY 424 N 1.93 0.89 0.28 7.32 0.00 -1.26 -4.70 105.19 109.65 3kfe n GLY 424 Ca -0.13 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.60 3kfe n GLY 424 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfe h ARG 425 N 0.00 0.93 0.00 1.61 3.08 -1.99 -3.00 114.38 115.01 3kfe h ARG 425 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3kfe h ARG 425 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3kfe h ARG 425 CO 0.00 0.74 0.42 -0.85 -1.07 0.00 0.00 179.97 179.22 3kfe n GLU 426 N -4.48 0.01 -0.01 0.04 0.28 -1.26 0.11 120.64 115.33 3kfe n GLU 426 Ca 0.05 0.22 -0.12 0.00 -0.16 0.00 0.00 57.16 57.14 3kfe n GLU 426 Cb 0.13 -1.96 -0.08 0.00 1.43 0.00 0.00 31.44 30.95 3kfe n GLU 426 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3kfe h GLN 427 N 0.00 0.09 -0.71 3.44 4.15 -1.81 -2.68 115.11 117.59 3kfe h GLN 427 Ca 0.00 -0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.54 3kfe h GLN 427 Cb 0.85 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.43 3kfe h GLN 427 CO 0.00 0.41 0.17 -0.07 -1.93 0.00 0.00 178.83 177.41 3kfe h LEU 428 N -0.24 0.02 -0.18 -2.39 3.38 0.61 0.32 115.31 116.83 3kfe h LEU 428 Ca 0.01 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3kfe h LEU 428 Cb 0.38 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3kfe h LEU 428 CO 0.00 -0.02 -0.32 0.00 0.09 0.00 0.00 178.44 178.19 3kfe h ALA 429 N 1.58 -0.34 -0.64 1.53 0.00 -1.64 -1.07 119.26 118.69 3kfe h ALA 429 Ca 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3kfe h ALA 429 Cb 0.65 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3kfe h ALA 429 CO -0.48 -0.78 0.32 0.28 0.00 0.00 0.00 179.25 178.58 3kfe h VAL 430 N -0.37 1.20 -0.52 0.00 2.07 -0.64 0.17 116.25 118.17 3kfe h VAL 430 Ca 0.11 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 3kfe h VAL 430 Cb 0.54 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kfe h VAL 430 CO -0.38 0.24 -0.07 0.03 0.02 0.00 0.00 177.57 177.41 3kfe h ARG 431 N 0.90 0.96 -0.87 1.57 3.08 -1.00 -1.67 114.38 117.35 3kfe h ARG 431 Ca 0.23 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3kfe h ARG 431 Cb 0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3kfe h ARG 431 CO -0.03 1.00 0.53 0.00 -1.07 0.00 0.00 179.97 180.41 3kfe h ALA 432 N 0.92 1.31 -0.30 0.04 0.00 -0.01 0.17 119.26 121.39 3kfe h ALA 432 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3kfe h ALA 432 Cb 0.62 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kfe h ALA 432 CO 0.04 0.61 -0.25 0.35 0.00 0.00 0.00 179.25 179.99 3kfe h PHE 433 N 1.19 0.68 -0.20 0.00 3.57 -0.56 0.02 116.94 121.63 3kfe h PHE 433 Ca 0.31 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3kfe h PHE 433 Cb -0.07 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3kfe h PHE 433 CO 0.00 0.80 -0.11 0.00 -2.23 0.00 0.00 178.31 176.77 3kfe h ALA 434 N 1.20 0.28 -0.13 2.41 0.00 -0.51 -3.07 119.26 119.45 3kfe h ALA 434 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3kfe h ALA 434 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kfe h ALA 434 CO 0.05 0.13 -0.13 -0.44 0.00 0.00 0.00 179.25 178.87 3kfe h ASP 435 N 0.12 0.19 -0.30 0.00 3.32 -0.59 -3.03 116.42 116.13 3kfe h ASP 435 Ca 0.04 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.12 3kfe h ASP 435 Cb 0.61 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 3kfe h ASP 435 CO 0.03 0.34 -0.07 0.00 -1.72 0.00 0.00 179.24 177.82 3kfe h ALA 436 N 1.68 0.20 0.00 3.45 0.00 -0.89 -2.59 119.26 121.10 3kfe h ALA 436 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kfe h ALA 436 Cb 0.35 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kfe h ALA 436 CO 0.02 -0.46 0.00 -0.07 0.00 0.00 0.00 179.25 178.74 3kfe h LEU 437 N -0.00 0.00 0.00 0.00 3.38 -1.53 -1.42 115.31 115.73 3kfe h LEU 437 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kfe h LEU 437 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kfe h LEU 437 CO -0.31 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.60 3kfe n GLU 438 N -2.58 0.82 0.14 1.13 1.02 -0.98 -3.10 120.64 117.09 3kfe n GLU 438 Ca -0.02 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 3kfe n GLU 438 Cb 0.05 -1.15 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 3kfe n GLU 438 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kfe h VAL 439 N 0.00 0.95 -0.02 2.62 3.04 -1.44 -2.39 116.25 119.00 3kfe h VAL 439 Ca 0.00 -2.26 -0.04 0.00 -1.01 0.00 0.00 66.70 63.39 3kfe h VAL 439 Cb 0.00 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3kfe h VAL 439 CO 0.00 0.53 -0.13 0.40 -1.01 0.00 0.00 177.57 177.36 3kfe h ILE 440 N 0.00 1.51 -0.84 3.17 1.08 -1.80 0.60 117.51 121.23 3kfe h ILE 440 Ca -0.01 -1.68 -0.00 0.00 -0.39 0.00 0.00 64.86 62.78 3kfe h ILE 440 Cb 1.37 2.56 -0.04 0.00 -3.07 0.00 0.00 36.82 37.64 3kfe h ILE 440 CO 0.07 0.45 0.51 -0.65 -0.69 0.00 0.00 178.15 177.85 3kfe h PRO 441 N -0.50 1.14 0.28 2.37 0.11 -1.78 -2.18 132.00 131.44 3kfe h PRO 441 Ca -0.01 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3kfe h PRO 441 Cb 0.81 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3kfe h PRO 441 CO 0.03 0.80 -0.13 -0.09 -0.21 0.00 0.00 178.00 178.39 3kfe h ARG 442 N 1.16 -0.36 0.00 1.05 2.43 -1.26 -2.47 114.38 114.93 3kfe h ARG 442 Ca 0.30 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 3kfe h ARG 442 Cb -0.05 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3kfe h ARG 442 CO -0.06 -0.12 -0.35 1.79 -1.51 0.00 0.00 179.97 179.72 3kfe h THR 443 N -0.56 0.90 -0.88 0.20 1.35 -0.93 -2.40 112.91 110.59 3kfe h THR 443 Ca -0.04 -1.41 -0.03 0.00 -0.55 0.00 0.00 66.41 64.38 3kfe h THR 443 Cb 0.41 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 3kfe h THR 443 CO 0.06 0.35 0.45 -0.07 -0.25 0.00 0.00 175.52 176.06 3kfe h LEU 444 N 0.00 1.13 -0.32 3.87 3.38 -1.22 -2.44 115.31 119.71 3kfe h LEU 444 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kfe h LEU 444 Cb 0.83 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kfe h LEU 444 CO 0.05 0.93 0.16 0.00 0.09 0.00 0.00 178.44 179.66 3kfe h ALA 445 N 1.24 0.41 0.18 1.53 0.00 -1.17 -3.09 119.26 118.36 3kfe h ALA 445 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kfe h ALA 445 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3kfe h ALA 445 CO -0.04 -0.03 -0.38 0.93 0.00 0.00 0.00 179.25 179.73 3kfe h GLU 446 N 0.38 -0.63 -0.29 0.00 5.08 -0.99 -1.71 114.58 116.43 3kfe h GLU 446 Ca 0.11 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3kfe h GLU 446 Cb 0.11 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3kfe h GLU 446 CO -0.01 -0.42 0.04 -0.91 -1.00 0.00 0.00 179.01 176.71 3kfe h ASN 447 N -0.65 0.39 0.49 1.42 2.35 -1.55 0.25 115.58 118.29 3kfe h ASN 447 Ca 0.01 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3kfe h ASN 447 Cb 0.65 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3kfe h ASN 447 CO -0.19 0.43 -0.19 0.00 -1.65 0.00 0.00 177.43 175.83 3kfe h ALA 448 N 1.63 1.24 0.00 -0.83 0.00 -1.34 -3.44 119.26 116.53 3kfe h ALA 448 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kfe h ALA 448 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kfe h ALA 448 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3kfe n GLY 449 N -0.45 0.85 3.74 0.00 0.00 0.08 -5.08 105.19 104.32 3kfe n GLY 449 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3kfe n GLY 449 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfe s LEU 450 N 0.00 1.82 -0.76 0.99 1.02 -0.79 -4.93 118.68 116.03 3kfe s LEU 450 Ca 0.00 1.07 -0.26 0.00 0.02 0.00 0.00 54.13 54.96 3kfe s LEU 450 Cb 0.00 -3.33 0.04 0.00 0.02 0.00 0.00 46.19 42.92 3kfe s LEU 450 CO 0.00 -2.82 1.25 -0.62 0.02 0.00 0.00 176.35 174.18 3kfe s ASP 451 N -3.76 6.21 0.28 2.29 3.68 -1.26 -4.30 116.67 119.81 3kfe s ASP 451 Ca 0.64 -0.66 0.03 0.00 2.13 0.00 0.00 52.55 54.69 3kfe s ASP 451 Cb -0.17 -2.54 0.68 0.00 -1.45 0.00 0.00 42.92 39.45 3kfe s ASP 451 CO 0.55 -1.73 1.72 0.00 0.13 0.00 0.00 175.17 175.84 3kfe h ALA 452 N 9.92 1.42 -0.22 3.66 0.00 -1.87 -2.74 119.26 129.43 3kfe h ALA 452 Ca -0.22 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3kfe h ALA 452 Cb 1.05 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kfe h ALA 452 CO 1.28 -0.26 -0.13 0.82 0.00 0.00 0.00 179.25 180.96 3kfe h ILE 453 N 0.48 1.31 0.48 0.00 2.04 -1.94 -2.17 117.51 117.71 3kfe h ILE 453 Ca 0.54 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 3kfe h ILE 453 Cb 0.95 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3kfe h ILE 453 CO -0.48 0.38 -0.23 -0.08 0.00 0.00 0.00 178.15 177.74 3kfe h GLU 454 N 0.17 -0.62 -1.16 2.37 4.57 -1.93 -2.82 114.58 115.16 3kfe h GLU 454 Ca 0.04 0.04 0.44 0.00 -1.18 0.00 0.00 59.36 58.71 3kfe h GLU 454 Cb 0.64 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 29.21 3kfe h GLU 454 CO 0.04 -0.41 0.69 0.82 -1.18 0.00 0.00 179.01 178.97 3kfe h ILE 455 N -0.73 0.02 -0.14 2.32 2.04 -1.58 1.73 117.51 121.18 3kfe h ILE 455 Ca -0.07 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 3kfe h ILE 455 Cb 0.49 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3kfe h ILE 455 CO 0.11 0.00 -0.41 0.25 0.00 0.00 0.00 178.15 178.10 3kfe h LEU 456 N 0.02 0.33 -0.16 1.44 5.85 -1.27 -1.41 115.31 120.11 3kfe h LEU 456 Ca 0.86 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 59.37 3kfe h LEU 456 Cb 2.48 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 43.41 3kfe h LEU 456 CO -0.63 0.71 -0.17 0.58 -0.34 0.00 0.00 178.44 178.59 3kfe h VAL 457 N 0.27 1.34 0.23 1.05 2.07 0.28 -2.01 116.25 119.48 3kfe h VAL 457 Ca 0.02 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.22 3kfe h VAL 457 Cb 0.83 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3kfe h VAL 457 CO 0.07 0.40 -0.32 0.11 0.02 0.00 0.00 177.57 177.84 3kfe h LYS 458 N 0.04 -0.59 0.00 1.57 1.57 -1.11 -0.60 116.57 117.46 3kfe h LYS 458 Ca 0.03 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kfe h LYS 458 Cb 0.70 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3kfe h LYS 458 CO 0.04 -0.39 0.00 0.28 -0.57 0.00 0.00 179.45 178.81 3kfe h VAL 459 N -0.61 0.00 0.00 0.50 2.07 -1.31 -1.87 116.25 115.03 3kfe h VAL 459 Ca 0.01 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3kfe h VAL 459 Cb 0.59 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3kfe h VAL 459 CO -0.12 0.00 -1.28 -1.14 0.02 0.00 0.00 177.57 175.05 3kfe n ARG 460 N -2.73 0.62 0.08 1.57 0.63 -0.41 -3.93 116.66 112.49 3kfe n ARG 460 Ca -0.02 0.15 -0.22 0.00 -0.92 0.00 0.00 57.85 56.85 3kfe n ARG 460 Cb 0.09 -1.80 -0.13 0.00 0.45 0.00 0.00 32.46 31.07 3kfe n ARG 460 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kfe h ALA 461 N 1.70 0.01 0.00 5.13 0.00 -0.39 -3.27 119.26 122.44 3kfe h ALA 461 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3kfe h ALA 461 Cb 1.31 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kfe h ALA 461 CO 0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3kfe n ALA 462 N -2.67 1.99 -0.50 0.00 0.00 -0.87 -2.05 120.51 116.41 3kfe n ALA 462 Ca -0.13 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.34 3kfe n ALA 462 Cb 0.95 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 19.44 3kfe n ALA 462 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kfe n HIS 463 N -0.54 0.00 -1.22 0.00 -0.00 -1.23 -0.83 115.22 111.39 3kfe n HIS 463 Ca 0.01 -0.68 -0.38 0.00 -0.00 0.00 0.00 57.72 56.67 3kfe n HIS 463 Cb 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.99 29.87 3kfe n HIS 463 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kfe n ALA 464 N -0.86 4.65 0.00 -1.41 0.00 -0.87 -4.49 120.51 117.53 3kfe n ALA 464 Ca 0.07 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.31 3kfe n ALA 464 Cb 0.42 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.43 3kfe n ALA 464 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kfe n SER 465 N 5.99 0.00 0.00 0.00 3.41 -1.26 -4.84 113.62 116.91 3kfe n SER 465 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3kfe n SER 465 Cb 0.32 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3kfe n SER 465 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kfe n ASN 466 N 0.21 0.00 -3.69 4.04 6.94 -1.26 -5.03 115.26 116.47 3kfe n ASN 466 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.32 3kfe n ASN 466 Cb 0.00 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 37.59 3kfe n ASN 466 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kfe n GLY 467 N 4.29 -1.21 0.04 4.83 0.00 -1.26 -4.81 105.19 107.07 3kfe n GLY 467 Ca 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 3kfe n GLY 467 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kfe n ASN 468 N -3.64 2.78 0.00 1.61 4.13 -0.01 -3.63 115.26 116.50 3kfe n ASN 468 Ca 0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.40 3kfe n ASN 468 Cb 0.50 0.85 0.00 0.00 -1.54 0.00 0.00 39.78 39.59 3kfe n ASN 468 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 3kfe n LYS 469 N -2.24 0.00 -0.00 3.52 2.85 -1.26 -4.52 118.16 116.50 3kfe n LYS 469 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 3kfe n LYS 469 Cb 0.69 -2.97 0.00 0.00 -0.65 0.00 0.00 35.03 32.11 3kfe n LYS 469 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kfe s ALA 471 N -0.56 3.27 0.23 0.00 0.00 -1.26 -0.26 121.76 123.17 3kfe s ALA 471 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3kfe s ALA 471 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3kfe s ALA 471 CO 0.00 -2.06 0.11 0.20 0.00 0.00 0.00 175.76 174.01 3kfe s GLY 472 N 2.40 1.60 -0.26 0.00 0.00 -0.58 -4.66 107.32 105.83 3kfe s GLY 472 Ca 0.28 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 42.94 3kfe s GLY 472 CO 0.20 -1.50 0.94 -2.27 0.00 0.00 0.00 173.10 170.47 3kfe s LEU 473 N -3.24 4.07 -0.31 0.66 2.96 -1.22 -0.32 118.68 121.27 3kfe s LEU 473 Ca 0.38 1.13 -0.22 0.00 -0.22 0.00 0.00 54.13 55.21 3kfe s LEU 473 Cb 0.07 -3.36 -0.00 0.00 0.50 0.00 0.00 46.19 43.40 3kfe s LEU 473 CO 0.13 -0.64 0.70 0.21 -1.32 0.00 0.00 176.35 175.43 3kfe s ASN 474 N 1.36 6.56 0.00 3.68 3.84 -1.19 -4.82 114.94 124.38 3kfe s ASN 474 Ca 0.40 0.51 0.22 0.00 0.21 0.00 0.00 52.86 54.19 3kfe s ASN 474 Cb -0.15 -2.36 1.04 0.00 -0.55 0.00 0.00 41.25 39.23 3kfe s ASN 474 CO 0.08 -0.55 1.69 1.33 -2.79 0.00 0.00 177.10 176.87 3kfe n VAL 475 N 5.47 0.39 -0.05 -5.21 0.24 -1.26 -0.16 118.33 117.75 3kfe n VAL 475 Ca 0.01 0.10 -0.04 0.00 -2.04 0.00 0.00 64.34 62.36 3kfe n VAL 475 Cb 0.48 -0.74 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 3kfe n VAL 475 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kfe n PHE 476 N -1.34 0.39 -0.31 6.34 3.72 -1.26 -4.41 117.46 120.58 3kfe n PHE 476 Ca 0.09 0.17 -0.08 0.00 -0.05 0.00 0.00 57.45 57.58 3kfe n PHE 476 Cb 0.19 -0.50 -0.07 0.00 -0.94 0.00 0.00 39.48 38.15 3kfe n PHE 476 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3kfe n THR 477 N -3.88 -0.50 0.00 4.37 -1.04 -1.20 -4.82 114.28 107.21 3kfe n THR 477 Ca -0.07 1.95 0.00 0.00 -2.04 0.00 0.00 64.05 63.89 3kfe n THR 477 Cb 0.26 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 3kfe n THR 477 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kfe n GLY 478 N -1.18 3.10 3.63 3.41 0.00 0.78 -5.06 105.19 109.86 3kfe n GLY 478 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3kfe n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe s ALA 479 N -2.79 3.14 -0.00 4.61 0.00 -1.25 -4.90 121.76 120.57 3kfe s ALA 479 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 3kfe s ALA 479 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3kfe s ALA 479 CO 0.00 0.23 1.18 0.54 0.00 0.00 0.00 175.76 177.71 3kfe s VAL 480 N -2.38 4.23 0.16 0.00 0.11 -1.26 -3.15 120.40 118.10 3kfe s VAL 480 Ca 0.32 1.58 0.01 0.00 -2.93 0.00 0.00 61.98 60.96 3kfe s VAL 480 Cb -0.05 -4.01 -0.00 0.00 -1.53 0.00 0.00 36.38 30.78 3kfe s VAL 480 CO 0.19 0.06 0.04 -0.62 -3.33 0.00 0.00 175.10 171.45 3kfe n GLU 481 N 4.55 0.94 -3.28 1.54 1.02 0.56 -4.91 120.64 121.06 3kfe n GLU 481 Ca 0.10 -1.31 -0.45 0.00 -0.02 0.00 0.00 57.16 55.48 3kfe n GLU 481 Cb 0.47 0.64 -0.06 0.00 -0.02 0.00 0.00 31.44 32.47 3kfe n GLU 481 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kfe s ASP 482 N -1.96 6.18 0.36 1.62 -1.08 -1.26 -1.53 116.67 119.01 3kfe s ASP 482 Ca 0.06 -1.50 0.09 0.00 -0.52 0.00 0.00 52.55 50.68 3kfe s ASP 482 Cb 0.00 -2.23 0.70 0.00 -1.46 0.00 0.00 42.92 39.94 3kfe s ASP 482 CO 0.04 -0.85 1.87 0.24 0.52 0.00 0.00 175.17 177.00 3kfe h MET 483 N 8.91 0.25 -0.53 4.34 2.86 -0.94 -1.59 114.93 128.23 3kfe h MET 483 Ca -0.29 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3kfe h MET 483 Cb 1.10 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3kfe h MET 483 CO 1.00 0.44 0.26 0.00 1.06 0.00 0.00 176.91 179.66 3kfe h GLU 485 N 0.75 0.01 0.00 0.00 5.08 -1.77 -3.17 114.58 115.48 3kfe h GLU 485 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3kfe h GLU 485 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kfe h GLU 485 CO -0.03 0.84 0.00 0.09 -1.00 0.00 0.00 179.01 178.91 3kfe n ASN 486 N -3.26 0.00 -1.65 1.42 4.13 -0.66 -4.89 115.26 110.36 3kfe n ASN 486 Ca -0.06 -1.44 -0.11 0.00 1.68 0.00 0.00 54.58 54.65 3kfe n ASN 486 Cb 0.98 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 39.24 3kfe n ASN 486 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kfe n GLY 487 N 0.65 0.10 3.23 7.41 0.00 -1.00 -4.99 105.19 110.58 3kfe n GLY 487 Ca 0.11 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3kfe n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfe s VAL 488 N -2.88 4.55 0.07 1.61 1.01 -0.28 -4.67 120.40 119.81 3kfe s VAL 488 Ca 0.16 -2.14 0.03 0.00 0.00 0.00 0.00 61.98 60.03 3kfe s VAL 488 Cb -0.07 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kfe s VAL 488 CO 0.20 -0.86 -0.08 0.68 0.00 0.00 0.00 175.10 175.03 3kfe s VAL 489 N 0.84 0.70 -0.07 2.92 -7.23 -1.26 -0.87 120.40 115.43 3kfe s VAL 489 Ca 0.10 -1.44 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 3kfe s VAL 489 Cb -0.22 -1.08 0.03 0.00 0.56 0.00 0.00 36.38 35.67 3kfe s VAL 489 CO -0.03 -0.54 0.16 -1.61 -0.31 0.00 0.00 175.10 172.77 3kfe s GLU 490 N -2.44 0.15 0.87 4.82 2.02 -0.31 -4.56 118.70 119.25 3kfe s GLU 490 Ca -0.01 0.31 -0.15 0.00 0.02 0.00 0.00 54.97 55.14 3kfe s GLU 490 Cb -0.04 -0.04 -0.05 0.00 0.10 0.00 0.00 34.13 34.09 3kfe s GLU 490 CO -0.01 -0.10 0.02 -2.30 0.02 0.00 0.00 175.26 172.90 3kfe n PRO 491 N 3.62 -0.04 -0.01 0.39 -0.02 -1.26 -0.92 135.00 136.77 3kfe n PRO 491 Ca -0.20 0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.23 3kfe n PRO 491 Cb 0.55 -1.52 0.10 0.00 -0.02 0.00 0.00 33.50 32.61 3kfe n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kfe h LEU 492 N -0.97 0.60 -1.99 2.45 5.85 -1.77 -3.07 115.31 116.40 3kfe h LEU 492 Ca -0.44 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.12 3kfe h LEU 492 Cb 1.32 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3kfe h LEU 492 CO 0.33 0.95 0.42 -0.09 -0.34 0.00 0.00 178.44 179.72 3kfe h ARG 493 N 0.46 0.00 -0.42 1.25 2.43 -1.88 -0.79 114.38 115.43 3kfe h ARG 493 Ca 0.04 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3kfe h ARG 493 Cb 0.93 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3kfe h ARG 493 CO 0.08 0.00 -0.04 0.28 -1.51 0.00 0.00 179.97 178.78 3kfe h VAL 494 N 0.00 1.27 0.00 0.20 2.07 -1.87 -2.18 116.25 115.73 3kfe h VAL 494 Ca 0.18 -1.10 -0.18 0.00 0.82 0.00 0.00 66.70 66.42 3kfe h VAL 494 Cb 1.02 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3kfe h VAL 494 CO -0.00 0.37 -1.32 0.11 0.02 0.00 0.00 177.57 176.75 3kfe h LYS 495 N 0.59 0.00 0.16 1.57 1.79 -1.35 -2.61 116.57 116.72 3kfe h LYS 495 Ca 0.11 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 3kfe h LYS 495 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3kfe h LYS 495 CO 0.03 0.39 -0.08 1.79 -1.08 0.00 0.00 179.45 180.50 3kfe h THR 496 N 0.00 0.50 -0.53 -0.16 1.35 -1.50 -1.74 112.91 110.84 3kfe h THR 496 Ca -0.15 -1.09 0.09 0.00 -0.55 0.00 0.00 66.41 64.71 3kfe h THR 496 Cb 1.64 0.88 -0.07 0.00 -1.73 0.00 0.00 68.15 68.87 3kfe h THR 496 CO 0.06 0.15 0.12 -0.61 -0.25 0.00 0.00 175.52 174.98 3kfe h GLN 497 N -0.99 0.25 -0.04 4.72 5.75 -1.54 -1.18 115.11 122.08 3kfe h GLN 497 Ca -0.02 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3kfe h GLN 497 Cb 0.41 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3kfe h GLN 497 CO 0.04 0.17 0.02 0.00 -2.65 0.00 0.00 178.83 176.40 3kfe h ALA 498 N 1.41 0.05 0.00 3.38 0.00 -1.54 -1.47 119.26 121.09 3kfe h ALA 498 Ca 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kfe h ALA 498 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kfe h ALA 498 CO -0.34 -0.38 -0.25 0.82 0.00 0.00 0.00 179.25 179.10 3kfe h ILE 499 N -0.06 1.07 0.15 0.00 2.04 -0.96 -1.78 117.51 117.96 3kfe h ILE 499 Ca 0.01 -0.88 -0.34 0.00 1.00 0.00 0.00 64.86 64.66 3kfe h ILE 499 Cb 0.12 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3kfe h ILE 499 CO -0.00 0.24 -1.73 -0.61 0.00 0.00 0.00 178.15 176.05 3kfe h GLN 500 N 0.00 0.31 0.00 2.37 4.15 -0.94 -2.60 115.11 118.39 3kfe h GLN 500 Ca -0.00 -0.53 -0.06 0.00 0.77 0.00 0.00 58.65 58.83 3kfe h GLN 500 Cb 0.47 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3kfe h GLN 500 CO 0.03 1.19 -0.28 0.66 -1.93 0.00 0.00 178.83 178.51 3kfe h SER 501 N 0.08 0.00 0.31 -0.69 4.64 -1.27 0.28 113.55 116.91 3kfe h SER 501 Ca -0.33 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.84 3kfe h SER 501 Cb 2.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.14 3kfe h SER 501 CO 0.15 0.28 -0.61 0.00 -0.87 0.00 0.00 176.83 175.78 3kfe h ALA 502 N 1.72 0.80 0.00 5.18 0.00 -1.40 -2.76 119.26 122.80 3kfe h ALA 502 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3kfe h ALA 502 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kfe h ALA 502 CO 0.04 0.73 -0.09 0.00 0.00 0.00 0.00 179.25 179.92 3kfe h ALA 503 N 1.14 0.01 -0.69 0.00 0.00 -0.98 -3.04 119.26 115.71 3kfe h ALA 503 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3kfe h ALA 503 Cb 1.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3kfe h ALA 503 CO 0.10 -0.03 0.37 0.93 0.00 0.00 0.00 179.25 180.61 3kfe h GLU 504 N -0.69 0.96 -0.04 0.00 5.08 -0.51 -1.07 114.58 118.31 3kfe h GLU 504 Ca -0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3kfe h GLU 504 Cb 0.88 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3kfe h GLU 504 CO 0.02 0.73 -0.24 0.66 -1.00 0.00 0.00 179.01 179.18 3kfe h SER 505 N 0.94 0.28 0.26 1.42 4.64 -1.63 -2.78 113.55 116.70 3kfe h SER 505 Ca 0.24 -0.68 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 3kfe h SER 505 Cb 0.05 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3kfe h SER 505 CO -0.04 0.91 -0.14 0.71 -0.87 0.00 0.00 176.83 177.41 3kfe h THR 506 N -0.33 0.80 -0.22 2.95 1.35 -1.46 -0.46 112.91 115.54 3kfe h THR 506 Ca -0.02 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 3kfe h THR 506 Cb 0.91 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3kfe h THR 506 CO 0.05 0.14 0.10 -0.33 -0.25 0.00 0.00 175.52 175.23 3kfe h GLU 507 N 0.00 0.32 -0.07 4.72 5.08 -1.20 -2.29 114.58 121.15 3kfe h GLU 507 Ca -0.00 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3kfe h GLU 507 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3kfe h GLU 507 CO 0.02 0.35 -0.41 0.00 -1.00 0.00 0.00 179.01 177.96 3kfe h MET 508 N 0.22 0.14 -0.45 2.33 -0.00 -0.84 -2.89 114.93 113.43 3kfe h MET 508 Ca 0.07 -0.07 -0.11 0.00 -0.00 0.00 0.00 59.70 59.60 3kfe h MET 508 Cb 0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.72 3kfe h MET 508 CO -0.01 0.54 -0.17 -0.07 -0.00 0.00 0.00 176.91 177.20 3kfe h LEU 509 N 0.12 0.88 -1.55 -0.10 3.38 -0.97 -2.81 115.31 114.25 3kfe h LEU 509 Ca 0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kfe h LEU 509 Cb 0.79 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kfe h LEU 509 CO 0.06 1.04 -0.06 -0.07 0.09 0.00 0.00 178.44 179.50 3kfe h LEU 510 N 0.77 0.00 -0.08 1.67 3.38 -1.20 -2.18 115.31 117.66 3kfe h LEU 510 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kfe h LEU 510 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kfe h LEU 510 CO 0.05 0.06 0.00 0.54 0.09 0.00 0.00 178.44 179.18 3kfe n ARG 511 N -3.20 0.07 -3.06 1.13 1.74 -1.06 -4.78 116.66 107.49 3kfe n ARG 511 Ca -0.00 0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.84 3kfe n ARG 511 Cb 0.31 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3kfe n ARG 511 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kfe s ILE 512 N -3.05 5.04 0.00 0.55 1.01 -0.82 -4.93 121.20 118.99 3kfe s ILE 512 Ca 0.10 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3kfe s ILE 512 Cb 0.14 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3kfe s ILE 512 CO 0.46 0.22 0.00 -0.90 0.00 0.00 0.00 174.94 174.71 3kfe n ASP 513 N 4.06 0.90 -3.98 3.58 5.75 -1.26 -4.45 116.55 121.15 3kfe n ASP 513 Ca -0.01 -0.22 -0.16 0.00 -0.01 0.00 0.00 54.79 54.39 3kfe n ASP 513 Cb 0.51 0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 41.07 3kfe n ASP 513 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kfe s ASP 514 N -0.80 0.74 0.10 -1.12 -1.08 -1.26 -0.75 116.67 112.50 3kfe s ASP 514 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 52.55 51.96 3kfe s ASP 514 Cb 0.00 -0.07 -0.03 0.00 -1.46 0.00 0.00 42.92 41.35 3kfe s ASP 514 CO 0.00 0.06 -0.19 -0.69 0.52 0.00 0.00 175.17 174.87 3kfe s VAL 515 N -0.24 1.58 -0.49 1.11 1.01 -1.16 -5.00 120.40 117.21 3kfe s VAL 515 Ca 0.02 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.48 3kfe s VAL 515 Cb -0.03 -1.49 0.16 0.00 0.00 0.00 0.00 36.38 35.03 3kfe s VAL 515 CO -0.00 -0.14 0.35 -0.63 0.00 0.00 0.00 175.10 174.67 3kfe s ILE 516 N -1.34 1.17 -0.09 2.22 1.01 -1.26 -3.12 121.20 119.79 3kfe s ILE 516 Ca 0.06 -2.97 -0.18 0.00 0.00 0.00 0.00 60.65 57.56 3kfe s ILE 516 Cb -0.09 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 3kfe s ILE 516 CO 0.04 -1.09 0.48 0.00 0.00 0.00 0.00 174.94 174.37 3kfe s ALA 517 N -0.19 3.50 0.52 9.38 0.00 -0.38 -4.99 121.76 129.60 3kfe s ALA 517 Ca 0.27 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3kfe s ALA 517 Cb -0.06 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3kfe s ALA 517 CO -0.13 0.08 0.30 0.00 0.00 0.00 0.00 175.76 176.01 3kfe s ALA 518 N 0.32 4.29 0.00 0.00 0.00 -1.26 -2.13 121.76 122.98 3kfe s ALA 518 Ca 0.26 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3kfe s ALA 518 Cb -0.16 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3kfe s ALA 518 CO 0.11 -0.33 0.00 -1.91 0.00 0.00 0.00 175.76 173.63