#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 -4.05 -3.83 2.81 -1.26 -5.02 117.12 105.77 3kfe n MET 12 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 3kfe n MET 12 Cb 0.00 -0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.34 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 -1.99 0.90 -0.01 0.03 1.02 -0.90 -5.07 119.74 113.73 3kfe s LYS 13 Ca 0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 55.97 55.90 3kfe s LYS 13 Cb 0.00 -1.00 0.01 0.00 -0.52 0.00 0.00 37.83 36.32 3kfe s LYS 13 CO 0.00 -0.16 0.02 0.50 -0.92 0.00 0.00 175.35 174.79 3kfe s ARG 14 N 1.29 0.00 -0.14 1.68 3.52 -1.26 -1.21 118.95 122.84 3kfe s ARG 14 Ca -0.05 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3kfe s ARG 14 Cb -0.14 -0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 3kfe s ARG 14 CO -0.02 -0.05 -0.11 0.71 -0.81 0.00 0.00 175.30 175.02 3kfe s TYR 15 N 0.31 2.85 -0.17 5.12 2.02 -1.16 -4.99 117.35 121.33 3kfe s TYR 15 Ca -0.02 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 55.99 3kfe s TYR 15 Cb -0.04 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 3kfe s TYR 15 CO -0.01 -0.20 0.10 -1.64 -1.57 0.00 0.00 175.55 172.23 3kfe s MET 16 N 0.41 3.90 3.33 -0.62 -1.94 -1.26 -2.90 119.30 120.22 3kfe s MET 16 Ca -0.09 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 3kfe s MET 16 Cb -0.16 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.42 3kfe s MET 16 CO 0.05 0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.87 3kfe n GLY 17 N 3.15 2.41 0.25 -0.03 0.00 -0.07 -0.76 105.19 110.14 3kfe n GLY 17 Ca -0.17 0.38 0.17 0.00 0.00 0.00 0.00 46.02 46.40 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 0.10 1.61 3.08 -1.96 -1.18 114.38 116.03 3kfe h ARG 18 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 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 -0.74 -0.44 -1.07 0.00 0.00 179.97 177.72 3kfe h ASP 19 N 0.00 0.48 -0.20 7.04 3.32 -1.31 -2.61 116.42 123.15 3kfe h ASP 19 Ca 0.00 -0.90 -0.13 0.00 0.02 0.00 0.00 57.03 56.02 3kfe h ASP 19 Cb 0.19 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3kfe h ASP 19 CO 0.00 1.34 -0.32 0.00 -1.72 0.00 0.00 179.24 178.54 3kfe h ALA 20 N 0.15 0.83 -0.11 3.45 0.00 -1.33 0.13 119.26 122.38 3kfe h ALA 20 Ca -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3kfe h ALA 20 Cb 1.54 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kfe h ALA 20 CO 0.14 0.64 -0.09 1.96 0.00 0.00 0.00 179.25 181.90 3kfe h GLN 21 N 0.60 0.25 -0.56 0.00 4.20 -1.37 -2.51 115.11 115.72 3kfe h GLN 21 Ca 0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3kfe h GLN 21 Cb 0.84 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 3kfe h GLN 21 CO 0.07 0.65 0.26 -0.09 -0.67 0.00 0.00 178.83 179.05 3kfe h ARG 22 N -0.14 0.79 -0.03 1.46 2.43 -1.35 0.13 114.38 117.67 3kfe h ARG 22 Ca 0.02 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3kfe h ARG 22 Cb 0.59 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3kfe h ARG 22 CO 0.02 0.62 -0.06 1.98 -1.51 0.00 0.00 179.97 181.02 3kfe h MET 23 N 0.79 -0.09 -0.09 0.20 4.05 -0.66 -0.92 114.93 118.20 3kfe h MET 23 Ca 0.20 0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.46 3kfe h MET 23 Cb 0.09 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 30.92 3kfe h MET 23 CO -0.03 -0.06 -0.59 -0.91 0.23 0.00 0.00 176.91 175.56 3kfe h ASN 24 N -0.09 0.67 -0.09 1.39 2.35 -0.96 0.13 115.58 118.97 3kfe h ASN 24 Ca 0.03 -0.66 -0.04 0.00 -0.55 0.00 0.00 56.30 55.08 3kfe h ASN 24 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3kfe h ASN 24 CO -0.08 1.23 -0.05 0.40 -1.65 0.00 0.00 177.43 177.27 3kfe h ILE 25 N 0.16 1.17 0.07 2.81 2.04 -0.78 0.72 117.51 123.70 3kfe h ILE 25 Ca -0.05 -0.70 -0.13 0.00 1.00 0.00 0.00 64.86 64.98 3kfe h ILE 25 Cb 1.24 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3kfe h ILE 25 CO 0.12 0.23 -0.56 0.25 0.00 0.00 0.00 178.15 178.19 3kfe h LEU 26 N 0.32 0.37 -1.59 1.44 6.46 -1.02 -2.02 115.31 119.28 3kfe h LEU 26 Ca 0.07 -0.89 0.09 0.00 -0.12 0.00 0.00 57.88 57.03 3kfe h LEU 26 Cb 0.31 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 3kfe h LEU 26 CO 0.01 1.23 0.41 0.00 -0.62 0.00 0.00 178.44 179.47 3kfe h ALA 27 N 0.15 1.96 0.31 1.25 0.00 -0.35 -1.22 119.26 121.36 3kfe h ALA 27 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kfe h ALA 27 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kfe h ALA 27 CO 0.11 -0.09 -0.15 0.78 0.00 0.00 0.00 179.25 179.90 3kfe h GLY 28 N 0.47 -0.43 1.71 0.00 0.00 -0.84 -3.13 103.07 100.84 3kfe h GLY 28 Ca 0.28 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3kfe h GLY 28 CO -0.08 -0.16 0.14 3.21 0.00 0.00 0.00 176.54 179.65 3kfe h ARG 29 N -0.80 0.00 0.22 4.80 3.08 -0.47 -2.28 114.38 118.93 3kfe h ARG 29 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.67 3kfe h ARG 29 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.59 3kfe h ARG 29 CO 0.07 0.00 -1.57 0.82 -1.07 0.00 0.00 179.97 178.22 3kfe h ILE 30 N 0.00 1.16 0.00 2.04 2.04 -1.33 0.56 117.51 121.99 3kfe h ILE 30 Ca 0.00 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.20 3kfe h ILE 30 Cb 0.29 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 3kfe h ILE 30 CO -0.00 0.83 0.00 0.16 0.00 0.00 0.00 178.15 179.14 3kfe h ILE 31 N 0.12 0.00 0.05 -0.67 3.07 -1.47 -2.61 117.51 116.01 3kfe h ILE 31 Ca -0.28 -0.75 -0.00 0.00 1.55 0.00 0.00 64.86 65.38 3kfe h ILE 31 Cb 2.13 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 40.42 3kfe h ILE 31 CO 0.23 0.00 -0.02 0.00 -1.05 0.00 0.00 178.15 177.31 3kfe h ALA 32 N 2.06 -0.07 0.00 0.16 0.00 -1.33 -3.06 119.26 117.02 3kfe h ALA 32 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kfe h ALA 32 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kfe h ALA 32 CO 0.00 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.36 3kfe n GLU 33 N -4.88 0.00 0.15 0.00 1.02 0.18 -1.81 120.64 115.30 3kfe n GLU 33 Ca -0.09 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.58 3kfe n GLU 33 Cb 0.26 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.35 -3.33 112.91 112.87 3kfe h THR 34 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3kfe h THR 34 Cb 0.10 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 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 -2.67 0.00 -0.36 3.16 0.24 -0.75 -4.62 118.33 113.33 3kfe n VAL 35 Ca 0.04 -0.48 0.37 0.00 -2.04 0.00 0.00 64.34 62.23 3kfe n VAL 35 Cb 0.49 1.01 0.74 0.00 -1.47 0.00 0.00 33.84 34.62 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 0.00 -0.00 7.34 3.08 -1.56 -0.27 114.38 122.97 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kfe h ARG 36 CO 0.00 0.00 -0.19 -1.13 -1.07 0.00 0.00 179.97 177.58 3kfe n SER 37 N -4.02 0.27 -0.55 7.04 3.41 -1.26 -3.22 113.62 115.30 3kfe n SER 37 Ca 0.28 0.01 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3kfe n SER 37 Cb 1.38 -0.15 0.22 0.00 -0.26 0.00 0.00 64.21 65.40 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 -1.38 0.00 -2.47 6.66 -2.24 -0.11 -0.88 114.28 113.86 3kfe n THR 38 Ca 0.08 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 3kfe n THR 38 Cb 0.32 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.28 4.20 0.00 3.22 0.20 -1.20 -4.58 118.68 118.25 3kfe s LEU 39 Ca 0.26 1.68 0.00 0.00 0.69 0.00 0.00 54.13 56.76 3kfe s LEU 39 Cb 0.19 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 3kfe s LEU 39 CO 0.45 -0.69 0.00 0.61 -0.29 0.00 0.00 176.35 176.43 3kfe n GLY 40 N 3.49 0.83 0.22 7.98 0.00 -1.26 -4.10 105.19 112.35 3kfe n GLY 40 Ca 0.13 -1.98 -0.10 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 0.61 -0.96 1.61 0.11 -1.87 -2.80 132.00 128.71 3kfe h PRO 41 Ca 0.00 -0.36 -0.12 0.00 0.11 0.00 0.00 66.00 65.63 3kfe h PRO 41 Cb 0.00 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.07 3kfe h PRO 41 CO 0.00 0.97 0.15 1.63 -0.21 0.00 0.00 178.00 180.55 3kfe n LYS 42 N -3.99 1.66 -3.73 1.05 4.76 -1.26 -4.14 118.16 112.51 3kfe n LYS 42 Ca -0.03 -0.99 -0.23 0.00 -2.87 0.00 0.00 58.31 54.18 3kfe n LYS 42 Cb 0.58 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 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 0.10 1.39 0.31 0.72 0.00 -1.06 -4.16 107.32 104.62 3kfe s GLY 43 Ca 0.18 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 43.93 3kfe s GLY 43 CO 0.04 -1.02 0.31 1.06 0.00 0.00 0.00 173.10 173.49 3kfe s MET 44 N -3.91 2.91 0.09 2.90 -1.94 -0.06 -4.82 119.30 114.47 3kfe s MET 44 Ca 0.37 -1.14 -0.00 0.00 -1.71 0.00 0.00 55.69 53.21 3kfe s MET 44 Cb -0.10 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 3kfe s MET 44 CO 0.31 0.19 0.25 -0.51 -0.01 0.00 0.00 175.02 175.25 3kfe s ASP 45 N -4.00 6.37 -0.22 3.03 1.11 -1.26 -3.94 116.67 117.77 3kfe s ASP 45 Ca 0.39 0.30 -0.09 0.00 0.18 0.00 0.00 52.55 53.33 3kfe s ASP 45 Cb -0.07 -1.97 -0.04 0.00 1.07 0.00 0.00 42.92 41.90 3kfe s ASP 45 CO 0.27 0.13 0.12 -0.54 1.18 0.00 0.00 175.17 176.33 3kfe s LYS 46 N -2.66 3.99 -0.05 8.23 -0.14 -0.43 -4.94 119.74 123.73 3kfe s LYS 46 Ca 0.36 -0.32 -0.16 0.00 -1.36 0.00 0.00 55.97 54.49 3kfe s LYS 46 Cb -0.13 -3.40 -0.05 0.00 -1.68 0.00 0.00 37.83 32.57 3kfe s LYS 46 CO 0.28 0.10 0.42 1.41 -0.76 0.00 0.00 175.35 176.79 3kfe s MET 47 N 0.90 4.08 -0.38 1.68 -2.45 -1.26 -2.28 119.30 119.59 3kfe s MET 47 Ca 0.06 0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.90 3kfe s MET 47 Cb -0.13 -3.31 0.15 0.00 1.25 0.00 0.00 34.83 32.79 3kfe s MET 47 CO 0.03 0.49 0.25 -1.17 1.05 0.00 0.00 175.02 175.67 3kfe s LEU 48 N -0.41 1.33 0.86 4.11 0.20 -0.75 -4.95 118.68 119.06 3kfe s LEU 48 Ca 0.24 -2.49 -0.12 0.00 0.69 0.00 0.00 54.13 52.45 3kfe s LEU 48 Cb -0.16 -0.49 0.11 0.00 -0.43 0.00 0.00 46.19 45.22 3kfe s LEU 48 CO 0.11 -0.27 1.10 -0.69 -0.29 0.00 0.00 176.35 176.31 3kfe s VAL 49 N 0.69 2.76 0.00 1.68 1.01 -1.26 -2.56 120.40 122.73 3kfe s VAL 49 Ca 0.22 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3kfe s VAL 49 Cb -0.16 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3kfe s VAL 49 CO -0.05 -0.32 0.00 -0.90 0.00 0.00 0.00 175.10 173.83 3kfe n ASP 50 N -3.71 0.00 -0.86 3.32 5.68 -0.95 -4.96 116.55 115.08 3kfe n ASP 50 Ca 0.07 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.46 3kfe n ASP 50 Cb 0.56 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.64 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 2.80 -0.71 -1.12 5.68 -1.26 -4.32 116.55 117.61 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 -0.03 0.20 0.00 -1.14 0.00 0.00 41.12 40.16 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 3.39 0.00 -2.12 4.77 -1.26 -4.92 117.00 118.05 3kfe n LEU 52 Ca 0.13 -3.37 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 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 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3kfe n GLY 53 N -1.01 0.01 3.62 -0.72 0.00 -1.26 -4.90 105.19 100.92 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 -2.01 6.23 0.17 1.61 1.11 -1.26 -4.85 116.67 117.67 3kfe s ASP 54 Ca 0.00 1.46 -0.01 0.00 0.18 0.00 0.00 52.55 54.18 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 -1.41 0.35 0.54 1.18 0.00 0.00 175.17 175.83 3kfe s VAL 55 N 5.73 5.24 -0.23 -1.27 0.11 -1.26 -2.23 120.40 126.49 3kfe s VAL 55 Ca 0.73 -0.38 -0.07 0.00 -2.93 0.00 0.00 61.98 59.33 3kfe s VAL 55 Cb -0.23 -3.71 0.11 0.00 -1.53 0.00 0.00 36.38 31.01 3kfe s VAL 55 CO 0.31 -0.10 0.49 0.54 -3.33 0.00 0.00 175.10 173.01 3kfe s VAL 56 N -1.78 -0.76 -0.17 2.04 0.11 -1.06 -4.94 120.40 113.84 3kfe s VAL 56 Ca 0.38 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.45 3kfe s VAL 56 Cb -0.11 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3kfe s VAL 56 CO 0.28 0.04 0.11 -0.69 -3.33 0.00 0.00 175.10 171.51 3kfe s VAL 57 N 2.70 5.22 0.06 2.04 1.01 -1.26 -1.81 120.40 128.36 3kfe s VAL 57 Ca -0.02 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 3kfe s VAL 57 Cb -0.12 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 33.01 3kfe s VAL 57 CO -0.15 0.51 0.81 0.28 0.00 0.00 0.00 175.10 176.54 3kfe s THR 58 N -0.12 0.00 -0.46 3.92 -1.32 -0.97 -4.78 115.64 111.92 3kfe s THR 58 Ca 0.09 -0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.57 3kfe s THR 58 Cb -0.12 -1.08 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 3kfe s THR 58 CO 0.00 0.00 0.43 -3.20 -2.21 0.00 0.00 174.62 169.64 3kfe n ASN 59 N -0.30 0.80 -4.63 8.08 2.85 -1.26 -1.31 115.26 119.47 3kfe n ASN 59 Ca -0.11 -0.90 -0.43 0.00 -0.11 0.00 0.00 54.58 53.04 3kfe n ASN 59 Cb 0.63 0.55 -0.02 0.00 1.24 0.00 0.00 39.78 42.18 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 -1.03 6.60 0.11 1.20 2.15 -1.26 -4.92 116.67 119.51 3kfe s ASP 60 Ca 0.04 1.45 -0.27 0.00 0.43 0.00 0.00 52.55 54.21 3kfe s ASP 60 Cb 0.04 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 3kfe s ASP 60 CO 0.15 -1.10 1.45 1.23 -0.17 0.00 0.00 175.17 176.72 3kfe h GLY 61 N 11.01 -1.19 0.94 2.66 0.00 -1.94 -2.82 103.07 111.74 3kfe h GLY 61 Ca -0.29 0.77 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 3kfe h GLY 61 CO 1.01 -0.22 0.13 -0.24 0.00 0.00 0.00 176.54 177.23 3kfe h VAL 62 N -0.26 1.13 -0.30 4.60 3.04 -1.88 -2.02 116.25 120.56 3kfe h VAL 62 Ca 0.07 -0.36 0.03 0.00 -1.01 0.00 0.00 66.70 65.44 3kfe h VAL 62 Cb 0.46 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 3kfe h VAL 62 CO -0.54 0.13 0.11 0.71 -1.01 0.00 0.00 177.57 176.96 3kfe h THR 63 N 0.29 0.92 -0.68 3.17 1.35 -1.97 0.64 112.91 116.64 3kfe h THR 63 Ca 0.09 -0.08 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 3kfe h THR 63 Cb 0.09 0.66 -0.10 0.00 -1.73 0.00 0.00 68.15 67.06 3kfe h THR 63 CO -0.01 0.04 -0.53 0.40 -0.25 0.00 0.00 175.52 175.17 3kfe h ILE 64 N 0.24 0.02 0.61 6.82 2.04 -1.24 0.28 117.51 126.28 3kfe h ILE 64 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3kfe h ILE 64 Cb 0.10 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3kfe h ILE 64 CO -0.13 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.65 3kfe h LEU 65 N -0.21 -0.70 -0.24 1.44 3.38 -0.42 -3.16 115.31 115.40 3kfe h LEU 65 Ca 0.14 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3kfe h LEU 65 Cb 0.53 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3kfe h LEU 65 CO -0.75 -0.45 -0.25 0.03 0.09 0.00 0.00 178.44 177.11 3kfe h ARG 66 N -0.90 -0.13 -1.85 1.13 3.08 0.43 -2.78 114.38 113.36 3kfe h ARG 66 Ca -0.08 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 3kfe h ARG 66 Cb 0.66 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3kfe h ARG 66 CO 0.14 -0.09 0.11 0.39 -1.07 0.00 0.00 179.97 179.46 3kfe n GLU 67 N -3.91 1.35 -4.17 0.04 1.02 0.96 -4.66 120.64 111.27 3kfe n GLU 67 Ca -0.01 -0.61 -0.16 0.00 -0.02 0.00 0.00 57.16 56.35 3kfe n GLU 67 Cb 0.14 -1.29 -0.12 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 -0.55 0.69 -1.03 3.49 0.23 -1.05 -4.95 119.30 116.13 3kfe s MET 68 Ca 0.16 -0.76 -0.23 0.00 -1.03 0.00 0.00 55.69 53.82 3kfe s MET 68 Cb 0.11 -0.60 0.01 0.00 -1.53 0.00 0.00 34.83 32.81 3kfe s MET 68 CO -0.01 0.13 1.70 -1.12 -2.03 0.00 0.00 175.02 173.69 3kfe s SER 69 N -1.40 5.95 -0.18 -1.18 0.01 -1.26 -4.93 113.70 110.71 3kfe s SER 69 Ca -0.04 -1.33 -0.14 0.00 1.31 0.00 0.00 55.95 55.74 3kfe s SER 69 Cb -0.09 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 3kfe s SER 69 CO 0.01 -2.03 0.32 -0.69 0.41 0.00 0.00 173.24 171.26 3kfe s VAL 70 N 7.17 5.28 -0.11 3.43 1.01 -1.26 -4.97 120.40 130.94 3kfe s VAL 70 Ca 0.57 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 3kfe s VAL 70 Cb -0.02 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3kfe s VAL 70 CO -0.03 0.34 -0.11 -0.62 0.00 0.00 0.00 175.10 174.69 3kfe n GLU 71 N 3.89 0.26 -1.66 2.72 -0.58 -1.26 -4.86 120.64 119.15 3kfe n GLU 71 Ca -0.11 0.08 -0.46 0.00 -0.42 0.00 0.00 57.16 56.25 3kfe n GLU 71 Cb 0.52 -1.11 -0.04 0.00 -0.57 0.00 0.00 31.44 30.24 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 -3.05 2.15 -0.26 -0.32 -0.00 -1.26 -4.84 115.22 107.64 3kfe n HIS 72 Ca -0.20 0.36 -0.06 0.00 0.46 0.00 0.00 57.72 58.28 3kfe n HIS 72 Cb 0.69 -2.49 0.05 0.00 -0.12 0.00 0.00 29.99 28.12 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 5.24 1.03 0.32 1.57 0.13 -1.99 -1.55 132.00 136.76 3kfe h PRO 73 Ca -0.45 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 3kfe h PRO 73 Cb 1.27 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3kfe h PRO 73 CO 0.84 0.80 -0.40 0.00 -0.23 0.00 0.00 178.00 179.00 3kfe h ALA 74 N 1.18 -1.03 -0.96 -0.56 0.00 -1.92 -2.74 119.26 113.22 3kfe h ALA 74 Ca 0.25 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3kfe h ALA 74 Cb 0.09 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 3kfe h ALA 74 CO -0.03 -1.07 0.57 0.00 0.00 0.00 0.00 179.25 178.71 3kfe h ALA 75 N -1.01 1.53 -0.41 0.00 0.00 -1.75 0.22 119.26 117.84 3kfe h ALA 75 Ca -0.04 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3kfe h ALA 75 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3kfe h ALA 75 CO -0.09 -0.01 0.75 0.87 0.00 0.00 0.00 179.25 180.77 3kfe h LYS 76 N 0.77 0.00 0.00 0.00 1.57 -0.97 0.16 116.57 118.11 3kfe h LYS 76 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3kfe h LYS 76 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kfe h LYS 76 CO -0.36 0.00 -1.28 -1.33 -0.57 0.00 0.00 179.45 175.92 3kfe n MET 77 N -3.15 0.66 0.21 3.15 2.81 0.78 -3.53 117.12 118.05 3kfe n MET 77 Ca 0.08 -0.07 0.11 0.00 -1.81 0.00 0.00 57.70 56.01 3kfe n MET 77 Cb 0.90 -1.43 0.23 0.00 -0.71 0.00 0.00 33.22 32.21 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 -1.01 4.03 4.07 -0.96 -2.80 115.31 118.64 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 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3kfe h LEU 78 CO 0.00 0.12 0.00 0.40 -1.08 0.00 0.00 178.44 177.88 3kfe h ILE 79 N 0.00 0.00 -0.14 1.22 2.04 -1.49 -2.42 117.51 116.71 3kfe h ILE 79 Ca -0.00 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3kfe h ILE 79 Cb 0.99 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3kfe h ILE 79 CO 0.02 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 177.91 3kfe h GLU 80 N 0.00 0.21 -0.40 2.37 4.39 -1.54 -1.49 114.58 118.11 3kfe h GLU 80 Ca 0.00 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.71 3kfe h GLU 80 Cb 0.64 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3kfe h GLU 80 CO 0.00 0.26 0.17 0.28 -1.16 0.00 0.00 179.01 178.56 3kfe h VAL 81 N 0.11 0.93 -0.13 3.13 2.07 -1.51 -1.23 116.25 119.62 3kfe h VAL 81 Ca 0.05 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3kfe h VAL 81 Cb 0.12 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kfe h VAL 81 CO -0.01 0.07 -0.31 0.00 0.02 0.00 0.00 177.57 177.34 3kfe h ALA 82 N 1.24 1.24 0.00 1.67 0.00 -1.49 -1.69 119.26 120.23 3kfe h ALA 82 Ca 0.18 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3kfe h ALA 82 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kfe h ALA 82 CO -0.15 0.51 -0.31 -0.22 0.00 0.00 0.00 179.25 179.08 3kfe h LYS 83 N 0.22 0.00 0.00 0.00 3.64 -0.15 -2.47 116.57 117.81 3kfe h LYS 83 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kfe h LYS 83 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3kfe h LYS 83 CO 0.05 0.31 -1.46 0.25 -2.27 0.00 0.00 179.45 176.33 3kfe n THR 84 N -3.35 0.00 0.03 1.00 -2.24 -0.77 -3.33 114.28 105.61 3kfe n THR 84 Ca 0.01 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 3kfe n THR 84 Cb 0.53 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.05 -0.87 -0.78 5.75 -1.11 -1.66 115.11 116.38 3kfe h GLN 85 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3kfe h GLN 85 Cb 0.70 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.20 3kfe h GLN 85 CO 0.00 0.26 0.56 1.05 -2.65 0.00 0.00 178.83 178.05 3kfe h GLU 86 N -0.36 0.75 -0.25 1.69 4.11 -1.60 0.72 114.58 119.65 3kfe h GLU 86 Ca -0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 3kfe h GLU 86 Cb 0.33 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3kfe h GLU 86 CO 0.01 0.50 -0.43 -0.22 0.07 0.00 0.00 179.01 178.94 3kfe h LYS 87 N 0.78 0.60 -0.02 1.06 1.63 -1.52 -3.22 116.57 115.88 3kfe h LYS 87 Ca 0.42 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3kfe h LYS 87 Cb 0.54 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 3kfe h LYS 87 CO -0.18 0.92 -0.04 0.39 -3.45 0.00 0.00 179.45 177.09 3kfe n GLU 88 N -4.02 1.28 0.00 1.90 -0.58 -0.64 -4.88 120.64 113.70 3kfe n GLU 88 Ca -0.02 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.35 3kfe n GLU 88 Cb 0.53 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 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 0.78 0.00 0.00 2.62 0.31 0.20 -5.02 118.33 117.21 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 0.82 4.62 3.81 2.92 0.00 -1.20 -4.35 105.19 111.81 3kfe n GLY 90 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 4.75 -0.70 1.61 2.15 -1.26 -4.64 116.67 118.58 3kfe s ASP 91 Ca 0.00 -0.90 -0.02 0.00 0.43 0.00 0.00 52.55 52.06 3kfe s ASP 91 Cb 0.00 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 42.09 3kfe s ASP 91 CO 0.00 -0.60 0.25 0.61 -0.17 0.00 0.00 175.17 175.27 3kfe n GLY 92 N -1.40 0.14 0.14 2.66 0.00 -1.26 -4.80 105.19 100.66 3kfe n GLY 92 Ca 0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.58 1.40 -0.39 2.61 1.35 -1.90 -3.15 112.91 112.25 3kfe h THR 93 Ca -0.24 -2.53 0.02 0.00 -0.55 0.00 0.00 66.41 63.12 3kfe h THR 93 Cb 1.16 3.02 -0.03 0.00 -1.73 0.00 0.00 68.15 70.58 3kfe h THR 93 CO 0.25 0.74 0.21 0.74 -0.25 0.00 0.00 175.52 177.21 3kfe h THR 94 N -0.09 1.00 -0.03 6.82 2.02 -1.92 -2.87 112.91 117.84 3kfe h THR 94 Ca -0.18 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3kfe h THR 94 Cb 1.81 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3kfe h THR 94 CO 0.20 0.08 -0.29 0.71 0.37 0.00 0.00 175.52 176.58 3kfe h THR 95 N 0.42 1.22 -0.36 3.16 1.35 -1.97 0.11 112.91 116.84 3kfe h THR 95 Ca 0.16 -1.06 -0.10 0.00 -0.55 0.00 0.00 66.41 64.86 3kfe h THR 95 Cb 0.04 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3kfe h THR 95 CO -0.10 0.31 -0.18 0.00 -0.25 0.00 0.00 175.52 175.30 3kfe h ALA 96 N 1.66 0.51 -0.26 6.62 0.00 -1.48 -2.10 119.26 124.22 3kfe h ALA 96 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3kfe h ALA 96 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kfe h ALA 96 CO 0.04 0.45 -0.19 0.28 0.00 0.00 0.00 179.25 179.83 3kfe h VAL 97 N 0.55 1.31 -0.14 0.00 2.07 -1.28 -2.49 116.25 116.27 3kfe h VAL 97 Ca 0.08 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.29 3kfe h VAL 97 Cb 0.73 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3kfe h VAL 97 CO 0.05 0.41 0.08 0.58 0.02 0.00 0.00 177.57 178.71 3kfe h VAL 98 N 0.31 1.01 -0.62 2.57 2.07 -0.74 -1.34 116.25 119.51 3kfe h VAL 98 Ca 0.05 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kfe h VAL 98 Cb 0.72 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3kfe h VAL 98 CO 0.05 0.03 0.39 0.58 0.02 0.00 0.00 177.57 178.64 3kfe h VAL 99 N 0.17 1.17 -0.47 2.57 2.07 -1.47 -1.76 116.25 118.54 3kfe h VAL 99 Ca 0.06 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3kfe h VAL 99 Cb 0.00 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3kfe h VAL 99 CO -0.03 0.18 0.32 0.00 0.02 0.00 0.00 177.57 178.05 3kfe h ALA 100 N 1.20 2.09 -0.08 1.67 0.00 -0.95 0.59 119.26 123.79 3kfe h ALA 100 Ca 0.23 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3kfe h ALA 100 Cb -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kfe h ALA 100 CO -0.04 -0.20 -0.32 0.78 0.00 0.00 0.00 179.25 179.46 3kfe h GLY 101 N 0.26 0.39 2.00 0.00 0.00 -0.62 -3.10 103.07 102.01 3kfe h GLY 101 Ca 0.21 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kfe h GLY 101 CO -0.04 0.48 0.00 -2.09 0.00 0.00 0.00 176.54 174.88 3kfe h GLU 102 N -0.13 0.00 0.24 4.80 4.57 -0.31 -0.42 114.58 123.33 3kfe h GLU 102 Ca -0.02 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.83 3kfe h GLU 102 Cb 0.97 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.59 3kfe h GLU 102 CO 0.07 0.00 -1.46 -0.07 -1.18 0.00 0.00 179.01 176.37 3kfe h LEU 103 N 0.00 0.78 -1.09 1.64 3.38 -0.97 -2.66 115.31 116.40 3kfe h LEU 103 Ca 0.00 -0.85 -0.04 0.00 0.09 0.00 0.00 57.88 57.09 3kfe h LEU 103 Cb 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kfe h LEU 103 CO 0.00 1.66 0.20 -0.07 0.09 0.00 0.00 178.44 180.33 3kfe h LEU 104 N 0.14 0.78 0.35 1.67 3.38 -1.19 0.97 115.31 121.40 3kfe h LEU 104 Ca -0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3kfe h LEU 104 Cb 2.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3kfe h LEU 104 CO 0.26 0.72 -0.17 -0.09 0.09 0.00 0.00 178.44 179.26 3kfe h ARG 105 N 0.83 -0.45 0.00 1.13 2.43 -1.14 -2.64 114.38 114.53 3kfe h ARG 105 Ca 0.19 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3kfe h ARG 105 Cb 0.21 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3kfe h ARG 105 CO -0.01 -0.21 -0.13 0.87 -1.51 0.00 0.00 179.97 178.97 3kfe h LYS 106 N -0.62 0.00 -0.06 0.20 1.79 -1.38 -2.76 116.57 113.74 3kfe h LYS 106 Ca -0.05 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 3kfe h LYS 106 Cb 0.45 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3kfe h LYS 106 CO 0.08 0.13 -0.37 0.00 -1.08 0.00 0.00 179.45 178.21 3kfe h ALA 107 N 1.87 1.27 0.00 3.86 0.00 -0.44 -2.93 119.26 122.89 3kfe h ALA 107 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kfe h ALA 107 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kfe h ALA 107 CO 0.02 0.52 -0.30 -0.85 0.00 0.00 0.00 179.25 178.63 3kfe n GLU 108 N -4.08 0.23 0.24 0.00 0.28 -1.04 -2.43 120.64 113.84 3kfe n GLU 108 Ca -0.02 0.13 0.10 0.00 -0.16 0.00 0.00 57.16 57.21 3kfe n GLU 108 Cb 0.43 -1.71 0.58 0.00 1.43 0.00 0.00 31.44 32.17 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 0.01 3.44 5.08 -1.57 -1.14 114.58 120.40 3kfe h GLU 109 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 3kfe h GLU 109 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 3kfe h GLU 109 CO 0.00 0.20 -1.88 1.28 -1.00 0.00 0.00 179.01 177.61 3kfe n LEU 110 N -3.65 0.99 0.09 1.33 4.77 -1.12 -3.64 117.00 115.78 3kfe n LEU 110 Ca -0.01 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3kfe n LEU 110 Cb 0.32 0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3kfe n LEU 110 CO 0.33 0.48 0.41 -0.07 -1.33 0.00 0.00 177.39 177.20 3kfe h LEU 111 N 0.01 0.23 -0.33 2.23 3.38 -1.36 -1.02 115.31 118.45 3kfe h LEU 111 Ca -0.35 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3kfe h LEU 111 Cb 2.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3kfe h LEU 111 CO 0.07 0.85 0.00 0.47 0.09 0.00 0.00 178.44 179.92 3kfe n ASP 112 N -3.79 0.49 -0.46 -0.43 9.92 -0.44 -1.58 116.55 120.25 3kfe n ASP 112 Ca -0.03 -1.61 0.06 0.00 -0.53 0.00 0.00 54.79 52.69 3kfe n ASP 112 Cb 0.68 -0.04 0.14 0.00 -0.64 0.00 0.00 41.12 41.26 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 -0.42 2.65 -1.99 -1.24 6.02 -0.87 -4.99 117.38 116.55 3kfe n GLN 113 Ca 0.12 -2.22 -0.15 0.00 -0.01 0.00 0.00 57.00 54.74 3kfe n GLN 113 Cb 0.13 -1.39 -0.03 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 -0.31 -4.72 -4.75 1.08 3.02 -0.62 -5.00 115.26 103.96 3kfe n ASN 114 Ca 0.12 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 3kfe n ASN 114 Cb 0.54 -3.76 -0.04 0.00 -0.61 0.00 0.00 39.78 35.92 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 -2.70 3.58 0.32 2.41 1.01 -0.44 -5.00 120.40 119.58 3kfe s VAL 115 Ca 0.00 1.46 -0.29 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 0.30 1.26 -2.28 0.00 0.00 0.00 175.10 174.37 3kfe s HIS 116 N -0.66 3.16 0.26 5.22 2.46 -1.26 -4.49 115.29 119.98 3kfe s HIS 116 Ca 0.48 1.48 -0.01 0.00 0.47 0.00 0.00 55.06 57.48 3kfe s HIS 116 Cb -0.32 -3.59 0.52 0.00 -0.13 0.00 0.00 32.58 29.07 3kfe s HIS 116 CO 0.39 -1.56 1.76 -1.35 -2.47 0.00 0.00 174.74 171.51 3kfe h PRO 117 N 3.43 0.60 0.00 2.88 0.11 -1.94 -1.48 132.00 135.61 3kfe h PRO 117 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kfe h PRO 117 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kfe h PRO 117 CO 0.66 0.40 -0.00 1.79 -0.21 0.00 0.00 178.00 180.63 3kfe h THR 118 N 0.62 0.01 0.21 -1.15 1.35 -1.90 -0.15 112.91 111.89 3kfe h THR 118 Ca 0.46 -0.31 -0.29 0.00 -0.55 0.00 0.00 66.41 65.71 3kfe h THR 118 Cb 0.64 1.31 0.03 0.00 -1.73 0.00 0.00 68.15 68.40 3kfe h THR 118 CO -0.36 0.00 -1.28 0.40 -0.25 0.00 0.00 175.52 174.03 3kfe h ILE 119 N 0.00 1.33 0.20 6.82 1.08 -1.66 -2.49 117.51 122.80 3kfe h ILE 119 Ca -0.00 -2.63 -0.00 0.00 -0.39 0.00 0.00 64.86 61.84 3kfe h ILE 119 Cb 0.31 3.08 -0.01 0.00 -3.07 0.00 0.00 36.82 37.13 3kfe h ILE 119 CO 0.00 0.78 -0.16 0.58 -0.69 0.00 0.00 178.15 178.66 3kfe h VAL 120 N -0.03 0.64 0.00 1.67 2.07 -0.86 -1.43 116.25 118.31 3kfe h VAL 120 Ca -0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3kfe h VAL 120 Cb 1.99 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3kfe h VAL 120 CO 0.23 0.00 -0.08 1.62 0.02 0.00 0.00 177.57 179.36 3kfe h VAL 121 N -0.38 0.31 0.03 2.57 3.04 -1.16 0.35 116.25 121.01 3kfe h VAL 121 Ca -0.01 -0.52 -0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3kfe h VAL 121 Cb 0.34 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 3kfe h VAL 121 CO -0.02 0.08 -0.01 0.50 -1.01 0.00 0.00 177.57 177.11 3kfe h LYS 122 N 0.00 -0.04 0.00 4.17 3.64 -1.01 -2.74 116.57 120.60 3kfe h LYS 122 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3kfe h LYS 122 Cb 0.38 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3kfe h LYS 122 CO 0.01 0.39 -0.45 0.78 -2.27 0.00 0.00 179.45 177.90 3kfe h GLY 123 N -0.47 0.00 0.79 5.01 0.00 -0.31 -0.99 103.07 107.10 3kfe h GLY 123 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3kfe h GLY 123 CO 0.01 0.00 -0.08 -0.97 0.00 0.00 0.00 176.54 175.49 3kfe h TYR 124 N 0.00 0.44 -0.16 5.60 0.99 -1.05 -2.43 116.97 120.35 3kfe h TYR 124 Ca -0.00 -0.11 0.03 0.00 2.00 0.00 0.00 58.73 60.65 3kfe h TYR 124 Cb 1.03 -0.10 -0.03 0.00 1.00 0.00 0.00 36.73 38.63 3kfe h TYR 124 CO 0.00 0.68 -0.04 0.37 -0.00 0.00 0.00 178.16 179.17 3kfe h GLN 125 N 0.07 0.00 -0.96 4.88 4.15 -1.19 0.12 115.11 122.19 3kfe h GLN 125 Ca 0.04 -0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.63 3kfe h GLN 125 Cb 0.56 -0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 3kfe h GLN 125 CO 0.03 0.00 0.60 0.00 -1.93 0.00 0.00 178.83 177.53 3kfe h ALA 126 N 1.16 1.81 0.04 3.38 0.00 -1.13 0.72 119.26 125.24 3kfe h ALA 126 Ca 0.08 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 3kfe h ALA 126 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kfe h ALA 126 CO -0.16 -0.11 -1.44 0.00 0.00 0.00 0.00 179.25 177.54 3kfe h ALA 127 N 1.61 0.46 -0.84 0.00 0.00 -0.88 -2.58 119.26 117.04 3kfe h ALA 127 Ca 0.51 -1.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3kfe h ALA 127 Cb 0.85 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3kfe h ALA 127 CO -0.27 1.32 0.44 0.00 0.00 0.00 0.00 179.25 180.74 3kfe h ALA 128 N 0.80 1.20 0.40 0.00 0.00 0.11 0.02 119.26 121.79 3kfe h ALA 128 Ca -0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kfe h ALA 128 Cb 1.94 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3kfe h ALA 128 CO 0.12 0.63 -0.26 0.37 0.00 0.00 0.00 179.25 180.12 3kfe h GLN 129 N 1.17 -0.61 -0.16 0.00 5.75 -0.83 -2.72 115.11 117.71 3kfe h GLN 129 Ca 0.29 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.86 3kfe h GLN 129 Cb 0.05 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3kfe h GLN 129 CO -0.04 -0.41 -0.02 -0.22 -2.65 0.00 0.00 178.83 175.49 3kfe h LYS 130 N -0.63 0.02 0.00 1.69 1.63 -1.29 -2.27 116.57 115.72 3kfe h LYS 130 Ca -0.04 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3kfe h LYS 130 Cb 0.52 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3kfe h LYS 130 CO 0.04 0.02 0.00 0.00 -3.45 0.00 0.00 179.45 176.05 3kfe h ALA 131 N 1.15 1.00 -0.07 5.00 0.00 -0.96 0.27 119.26 125.64 3kfe h ALA 131 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3kfe h ALA 131 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kfe h ALA 131 CO -0.15 0.00 -0.86 1.96 0.00 0.00 0.00 179.25 180.20 3kfe h GLN 132 N 0.00 0.71 0.00 0.00 1.08 -1.08 -2.55 115.11 113.27 3kfe h GLN 132 Ca 0.00 -0.67 0.00 0.00 -1.45 0.00 0.00 58.65 56.53 3kfe h GLN 132 Cb 0.10 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3kfe h GLN 132 CO 0.00 1.26 -0.74 1.05 -0.95 0.00 0.00 178.83 179.45 3kfe h GLU 133 N 0.40 0.00 0.00 1.46 4.11 -1.37 -3.00 114.58 116.18 3kfe h GLU 133 Ca -0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 3kfe h GLU 133 Cb 1.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3kfe h GLU 133 CO 0.17 0.00 -0.22 -0.07 0.07 0.00 0.00 179.01 178.96 3kfe h LEU 134 N 0.00 0.00 0.07 3.06 3.38 -1.00 -3.09 115.31 117.72 3kfe h LEU 134 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3kfe h LEU 134 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kfe h LEU 134 CO 0.00 0.22 -0.84 -0.07 0.09 0.00 0.00 178.44 177.84 3kfe h LEU 135 N 0.00 0.22 -0.98 1.67 3.38 -1.48 -3.28 115.31 114.84 3kfe h LEU 135 Ca -0.00 -0.85 0.34 0.00 0.09 0.00 0.00 57.88 57.45 3kfe h LEU 135 Cb 0.83 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.33 3kfe h LEU 135 CO 0.03 1.36 0.26 0.29 0.09 0.00 0.00 178.44 180.48 3kfe n LYS 136 N -4.26 -0.07 0.15 1.13 5.02 -1.13 -0.08 118.16 118.91 3kfe n LYS 136 Ca -0.19 1.41 0.07 0.00 -2.02 0.00 0.00 58.31 57.57 3kfe n LYS 136 Cb 0.72 -2.38 0.05 0.00 -0.02 0.00 0.00 35.03 33.41 3kfe n LYS 136 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kfe h THR 137 N 0.00 0.40 -0.51 -0.18 1.35 -1.67 -3.29 112.91 109.01 3kfe h THR 137 Ca 0.71 -1.61 -0.10 0.00 -0.55 0.00 0.00 66.41 64.86 3kfe h THR 137 Cb 1.69 2.10 -0.06 0.00 -1.73 0.00 0.00 68.15 70.15 3kfe h THR 137 CO -0.84 0.23 0.09 2.30 -0.25 0.00 0.00 175.52 177.05 3kfe n ILE 138 N -3.06 2.66 -3.70 6.82 -5.35 0.88 -4.88 119.36 112.73 3kfe n ILE 138 Ca 0.01 -1.81 -0.38 0.00 -0.27 0.00 0.00 62.75 60.30 3kfe n ILE 138 Cb 0.66 -0.31 -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 -2.93 3.19 0.55 -1.28 0.00 -0.97 -4.87 121.76 115.46 3kfe s ALA 139 Ca 0.50 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 3kfe s ALA 139 Cb 0.40 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3kfe s ALA 139 CO 0.11 -0.87 1.34 0.00 0.00 0.00 0.00 175.76 176.35 3kfe s GLU 141 N -2.96 3.68 -0.02 0.00 0.41 -1.26 -1.53 118.70 117.02 3kfe s GLU 141 Ca 0.73 0.41 -0.18 0.00 -0.41 0.00 0.00 54.97 55.52 3kfe s GLU 141 Cb -0.39 -2.35 0.03 0.00 -1.78 0.00 0.00 34.13 29.64 3kfe s GLU 141 CO 0.46 -0.15 0.38 0.08 -0.49 0.00 0.00 175.26 175.54 3kfe s VAL 142 N -2.58 0.05 0.02 2.63 1.01 0.82 -4.88 120.40 117.46 3kfe s VAL 142 Ca 0.50 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3kfe s VAL 142 Cb -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3kfe s VAL 142 CO 0.38 -0.21 1.03 -0.83 0.00 0.00 0.00 175.10 175.48 3kfe s GLY 143 N -1.29 2.79 0.25 4.51 0.00 -1.26 -4.71 107.32 107.60 3kfe s GLY 143 Ca -0.13 0.62 0.09 0.00 0.00 0.00 0.00 44.72 45.30 3kfe s GLY 143 CO 0.05 1.77 1.14 0.00 0.00 0.00 0.00 173.10 176.06 3kfe n ALA 144 N 3.90 0.56 -0.63 3.20 0.00 -1.26 0.45 120.51 126.73 3kfe n ALA 144 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.60 3kfe n ALA 144 Cb 0.50 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.84 1.57 -0.92 0.00 7.27 -1.26 -4.69 117.38 117.50 3kfe n GLN 145 Ca -0.01 -1.27 -0.33 0.00 0.07 0.00 0.00 57.00 55.46 3kfe n GLN 145 Cb 0.32 -0.86 -0.12 0.00 2.41 0.00 0.00 30.24 31.99 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 -0.42 1.14 0.00 1.69 4.64 0.17 -4.64 116.55 119.14 3kfe n ASP 146 Ca 0.02 -2.50 0.03 0.00 -1.38 0.00 0.00 54.79 50.96 3kfe n ASP 146 Cb 0.42 -0.98 0.15 0.00 -1.04 0.00 0.00 41.12 39.67 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 8.05 0.11 -0.07 -0.67 4.81 -1.26 -1.09 118.16 128.04 3kfe n LYS 147 Ca 0.45 0.16 -0.22 0.00 -0.87 0.00 0.00 58.31 57.83 3kfe n LYS 147 Cb 0.44 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.87 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 0.09 -0.46 1.64 4.81 -1.97 -3.33 114.58 115.36 3kfe h GLU 148 Ca 0.00 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3kfe h GLU 148 Cb 0.04 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3kfe h GLU 148 CO 0.00 1.07 -0.12 0.82 -0.73 0.00 0.00 179.01 180.05 3kfe h ILE 149 N -0.67 1.27 -0.86 2.32 2.04 -1.50 -2.02 117.51 118.10 3kfe h ILE 149 Ca -0.36 -1.25 0.25 0.00 1.00 0.00 0.00 64.86 64.50 3kfe h ILE 149 Cb 1.52 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3kfe h ILE 149 CO -0.11 0.43 0.65 -0.07 0.00 0.00 0.00 178.15 179.05 3kfe h LEU 150 N 0.73 0.00 0.00 1.44 3.38 -1.42 -0.10 115.31 119.34 3kfe h LEU 150 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kfe h LEU 150 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3kfe h LEU 150 CO 0.05 0.00 -1.07 0.74 0.09 0.00 0.00 178.44 178.24 3kfe h THR 151 N 0.00 0.09 -0.01 0.22 2.02 -1.48 -2.26 112.91 111.49 3kfe h THR 151 Ca 0.41 -1.19 -0.18 0.00 0.77 0.00 0.00 66.41 66.22 3kfe h THR 151 Cb 1.71 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 3kfe h THR 151 CO -0.00 0.05 -0.79 0.11 0.37 0.00 0.00 175.52 175.26 3kfe h LYS 152 N 0.00 0.16 -0.23 6.66 1.57 -0.77 -2.47 116.57 121.49 3kfe h LYS 152 Ca -0.03 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 3kfe h LYS 152 Cb 1.11 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3kfe h LYS 152 CO 0.01 0.86 -0.34 0.82 -0.57 0.00 0.00 179.45 180.22 3kfe h ILE 153 N 0.10 1.32 0.00 1.86 2.04 -1.05 -1.67 117.51 120.11 3kfe h ILE 153 Ca -0.03 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.28 3kfe h ILE 153 Cb 1.37 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3kfe h ILE 153 CO 0.12 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.75 3kfe h ALA 154 N 0.64 1.00 0.02 1.87 0.00 -1.46 -2.61 119.26 118.71 3kfe h ALA 154 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 3kfe h ALA 154 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3kfe h ALA 154 CO 0.08 0.00 -1.78 -0.12 0.00 0.00 0.00 179.25 177.43 3kfe n MET 155 N -2.44 0.65 0.21 0.00 0.00 -0.93 -3.33 117.12 111.28 3kfe n MET 155 Ca 0.03 0.28 0.08 0.00 -0.00 0.00 0.00 57.70 58.10 3kfe n MET 155 Cb 0.33 -1.77 0.42 0.00 0.00 0.00 0.00 33.22 32.20 3kfe n MET 155 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3kfe h THR 156 N 0.01 0.70 0.01 1.12 2.02 -1.06 -2.76 112.91 112.95 3kfe h THR 156 Ca -0.32 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 3kfe h THR 156 Cb 2.02 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 3kfe h THR 156 CO 0.08 0.28 -0.00 -1.28 0.37 0.00 0.00 175.52 174.96 3kfe h SER 157 N 0.00 -0.01 -0.21 4.18 0.87 -1.57 -3.35 113.55 113.46 3kfe h SER 157 Ca -0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 3kfe h SER 157 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3kfe h SER 157 CO 0.04 0.72 0.14 0.40 -0.53 0.00 0.00 176.83 177.59 3kfe h ILE 158 N -0.75 1.07 -3.72 2.23 2.04 -1.56 -3.39 117.51 113.42 3kfe h ILE 158 Ca -0.00 -0.14 -0.52 0.00 1.00 0.00 0.00 64.86 65.20 3kfe h ILE 158 Cb 0.72 0.78 0.21 0.00 -0.74 0.00 0.00 36.82 37.79 3kfe h ILE 158 CO 0.00 0.06 -0.24 0.41 0.00 0.00 0.00 178.15 178.38 3kfe n THR 159 N -4.93 0.00 0.00 -0.27 -1.04 -1.05 -2.08 114.28 104.92 3kfe n THR 159 Ca -0.03 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3kfe n THR 159 Cb 0.04 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 0.99 2.83 1.84 3.41 0.00 -1.26 -4.60 105.19 108.40 3kfe n GLY 160 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.56 2.46 0.00 1.61 5.02 -0.88 -4.18 118.16 121.64 3kfe n LYS 161 Ca 0.00 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 3kfe n LYS 161 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 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 -0.44 1.12 0.28 0.72 0.00 -1.26 -4.67 105.19 100.95 3kfe n GLY 162 Ca 0.39 -1.35 0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.81 119.26 120.20 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 -0.16 -0.85 0.00 0.00 0.00 179.25 178.24 3kfe n GLU 164 N -2.92 0.18 0.02 0.00 0.00 -1.26 -2.20 120.64 114.46 3kfe n GLU 164 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.21 3kfe n GLU 164 Cb 0.14 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.26 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 -1.37 0.12 -0.28 3.44 5.02 -1.06 -4.53 118.16 119.51 3kfe n LYS 165 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3kfe n LYS 165 Cb 0.32 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.64 2.94 -1.67 7.82 0.00 -0.93 -4.89 120.51 122.15 3kfe n ALA 166 Ca 0.04 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 53.00 3kfe n ALA 166 Cb 0.38 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 1.66 1.98 -0.09 0.00 3.00 -1.26 -4.88 118.16 118.57 3kfe n LYS 167 Ca 0.00 0.72 -0.09 0.00 -0.00 0.00 0.00 58.31 58.94 3kfe n LYS 167 Cb 0.30 -2.49 -0.01 0.00 0.00 0.00 0.00 35.03 32.82 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 6.77 0.39 0.00 1.64 4.39 -1.99 -2.15 114.58 123.62 3kfe h GLU 168 Ca -0.46 -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 0.90 0.26 0.00 1.63 -1.16 0.00 0.00 179.01 180.63 3kfe n LYS 169 N -4.89 0.79 -0.13 2.33 5.02 -1.26 -2.64 118.16 117.39 3kfe n LYS 169 Ca -0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.10 3kfe n LYS 169 Cb 0.03 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.57 2.92 0.03 -0.35 7.94 -0.82 -3.65 117.00 122.51 3kfe n LEU 170 Ca 0.03 -0.11 -0.10 0.00 -1.11 0.00 0.00 56.01 54.71 3kfe n LEU 170 Cb 0.01 -0.88 -0.04 0.00 0.53 0.00 0.00 43.42 43.04 3kfe n LEU 170 CO 0.02 0.91 0.76 0.00 -1.11 0.00 0.00 177.39 177.97 3kfe h ALA 171 N -0.05 -0.15 -0.73 1.96 0.00 -1.42 -2.45 119.26 116.43 3kfe h ALA 171 Ca -0.57 0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.48 3kfe h ALA 171 Cb 1.86 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 19.86 3kfe h ALA 171 CO -0.11 -0.64 0.31 0.93 0.00 0.00 0.00 179.25 179.75 3kfe h GLU 172 N -0.24 0.48 -0.58 0.00 5.08 -1.72 -0.63 114.58 116.96 3kfe h GLU 172 Ca 0.07 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3kfe h GLU 172 Cb 0.33 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3kfe h GLU 172 CO -0.19 0.31 0.38 0.82 -1.00 0.00 0.00 179.01 179.34 3kfe h ILE 173 N 0.49 1.14 0.20 3.13 2.04 -1.54 -2.31 117.51 120.66 3kfe h ILE 173 Ca 0.38 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3kfe h ILE 173 Cb 0.52 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3kfe h ILE 173 CO -0.35 0.14 -0.09 0.40 0.00 0.00 0.00 178.15 178.25 3kfe h ILE 174 N 0.78 0.88 -0.28 -0.67 2.04 -0.70 -1.37 117.51 118.17 3kfe h ILE 174 Ca 0.22 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.75 3kfe h ILE 174 Cb -0.07 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 3kfe h ILE 174 CO -0.05 0.09 -0.37 0.58 0.00 0.00 0.00 178.15 178.39 3kfe h VAL 175 N -0.46 0.19 -0.85 1.67 2.07 -1.22 0.11 116.25 117.76 3kfe h VAL 175 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 3kfe h VAL 175 Cb 0.35 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 3kfe h VAL 175 CO 0.04 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 177.98 3kfe h GLU 176 N -0.36 0.57 0.00 1.57 4.81 -1.30 -0.32 114.58 119.55 3kfe h GLU 176 Ca 0.13 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3kfe h GLU 176 Cb 0.57 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3kfe h GLU 176 CO -0.48 0.38 -0.45 0.00 -0.73 0.00 0.00 179.01 177.73 3kfe h ALA 177 N 1.58 0.76 0.05 2.92 0.00 0.05 -2.02 119.26 122.60 3kfe h ALA 177 Ca 0.47 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 3kfe h ALA 177 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kfe h ALA 177 CO -0.39 0.56 -1.26 0.28 0.00 0.00 0.00 179.25 178.45 3kfe h VAL 178 N 0.00 1.43 -0.25 0.00 2.07 -0.49 -3.32 116.25 115.69 3kfe h VAL 178 Ca -0.00 -3.12 -0.07 0.00 0.82 0.00 0.00 66.70 64.32 3kfe h VAL 178 Cb 1.24 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3kfe h VAL 178 CO 0.06 0.86 -0.14 0.28 0.02 0.00 0.00 177.57 178.65 3kfe h SER 179 N 0.03 0.41 -0.26 0.57 0.02 -0.83 -3.02 113.55 110.46 3kfe h SER 179 Ca -0.12 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3kfe h SER 179 Cb 1.89 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.32 3kfe h SER 179 CO 0.14 0.57 0.08 0.00 -1.14 0.00 0.00 176.83 176.49 3kfe h ALA 180 N 1.47 0.34 -0.15 3.77 0.00 -1.47 -3.25 119.26 119.98 3kfe h ALA 180 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kfe h ALA 180 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kfe h ALA 180 CO 0.03 -0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.57 3kfe n VAL 181 N -4.74 0.45 -2.16 0.00 0.24 -1.14 -4.75 118.33 106.23 3kfe n VAL 181 Ca -0.03 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 3kfe n VAL 181 Cb 0.15 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.29 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 -1.56 3.80 -0.95 3.34 1.01 -1.23 -4.33 120.40 120.48 3kfe s VAL 182 Ca 0.12 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 3kfe s VAL 182 Cb 0.08 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.95 3kfe s VAL 182 CO 0.05 -0.08 1.13 1.51 0.00 0.00 0.00 175.10 177.72 3kfe s ASP 183 N 2.73 6.68 -0.10 3.32 -4.77 -0.40 -4.95 116.67 119.20 3kfe s ASP 183 Ca 0.67 -2.18 -0.30 0.00 -3.30 0.00 0.00 52.55 47.43 3kfe s ASP 183 Cb -0.30 -2.39 -0.08 0.00 -1.09 0.00 0.00 42.92 39.06 3kfe s ASP 183 CO 0.25 -1.00 2.06 0.47 0.70 0.00 0.00 175.17 177.65 3kfe n ASP 184 N 6.29 3.62 -4.41 2.11 8.00 -1.26 -2.48 116.55 128.43 3kfe n ASP 184 Ca 0.25 0.64 -0.26 0.00 0.71 0.00 0.00 54.79 56.12 3kfe n ASP 184 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 39.97 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 5.18 1.47 -0.09 -1.24 2.02 -1.26 -5.04 118.70 119.74 3kfe s GLU 185 Ca 0.95 -1.49 0.13 0.00 0.02 0.00 0.00 54.97 54.57 3kfe s GLU 185 Cb -0.47 -1.77 0.26 0.00 0.10 0.00 0.00 34.13 32.25 3kfe s GLU 185 CO 0.42 0.38 1.16 0.41 0.02 0.00 0.00 175.26 177.65 3kfe n GLY 186 N 0.32 1.06 3.85 -1.39 0.00 -1.03 -5.14 105.19 102.86 3kfe n GLY 186 Ca -0.13 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.43 2.92 -0.25 1.61 -0.14 -1.22 -4.59 119.74 117.64 3kfe s LYS 187 Ca 0.15 -1.10 -0.07 0.00 -1.36 0.00 0.00 55.97 53.59 3kfe s LYS 187 Cb 0.23 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 3kfe s LYS 187 CO -0.08 0.30 0.07 0.08 -0.76 0.00 0.00 175.35 174.96 3kfe s VAL 188 N -2.17 4.25 -0.71 3.17 1.01 -1.26 -1.27 120.40 123.42 3kfe s VAL 188 Ca 0.36 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 3kfe s VAL 188 Cb -0.07 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.36 3kfe s VAL 188 CO 0.26 0.32 1.12 -0.62 0.00 0.00 0.00 175.10 176.18 3kfe s ASP 189 N 1.60 6.18 0.18 3.32 3.68 -1.26 -4.87 116.67 125.50 3kfe s ASP 189 Ca 0.06 -0.77 0.09 0.00 2.13 0.00 0.00 52.55 54.06 3kfe s ASP 189 Cb -0.15 -2.49 0.49 0.00 -1.45 0.00 0.00 42.92 39.32 3kfe s ASP 189 CO 0.03 -1.62 1.17 0.29 0.13 0.00 0.00 175.17 175.18 3kfe n LYS 190 N 8.47 0.06 0.00 4.34 4.01 -1.26 0.11 118.16 133.89 3kfe n LYS 190 Ca 0.00 0.49 0.12 0.00 -0.51 0.00 0.00 58.31 58.42 3kfe n LYS 190 Cb 0.47 -1.87 0.20 0.00 -0.51 0.00 0.00 35.03 33.32 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 -1.79 2.26 0.04 4.39 8.00 -1.26 -3.98 116.55 124.21 3kfe n ASP 191 Ca -0.01 -1.67 0.12 0.00 0.71 0.00 0.00 54.79 53.94 3kfe n ASP 191 Cb 0.19 0.12 0.22 0.00 -0.02 0.00 0.00 41.12 41.63 3kfe n ASP 191 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kfe n LEU 192 N 0.59 0.59 -4.32 0.64 4.77 0.12 -4.55 117.00 114.84 3kfe n LEU 192 Ca 0.14 0.17 -0.46 0.00 -0.03 0.00 0.00 56.01 55.83 3kfe n LEU 192 Cb 0.49 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3kfe n LEU 192 CO 0.19 0.01 0.17 -0.63 -1.33 0.00 0.00 177.39 175.80 3kfe s ILE 193 N -3.10 5.16 0.14 -0.08 1.01 -1.26 -2.10 121.20 120.97 3kfe s ILE 193 Ca 0.08 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 3kfe s ILE 193 Cb 0.15 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 3kfe s ILE 193 CO 0.70 -0.88 1.11 -0.75 0.00 0.00 0.00 174.94 175.12 3kfe s LYS 194 N 1.73 4.56 -0.25 2.79 2.20 0.84 -4.88 119.74 126.72 3kfe s LYS 194 Ca 0.04 1.70 -0.03 0.00 -0.36 0.00 0.00 55.97 57.32 3kfe s LYS 194 Cb -0.29 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3kfe s LYS 194 CO 0.04 -0.00 -0.03 0.42 -0.36 0.00 0.00 175.35 175.42 3kfe s ILE 195 N 0.14 3.22 -0.02 5.43 1.01 -1.26 0.53 121.20 130.24 3kfe s ILE 195 Ca 0.51 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3kfe s ILE 195 Cb -0.29 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3kfe s ILE 195 CO 0.33 0.22 -0.17 -0.70 0.00 0.00 0.00 174.94 174.62 3kfe s GLU 196 N 1.40 2.32 -0.19 2.79 2.56 -0.49 -4.97 118.70 122.12 3kfe s GLU 196 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 54.97 54.19 3kfe s GLU 196 Cb -0.16 -2.27 0.02 0.00 2.00 0.00 0.00 34.13 33.72 3kfe s GLU 196 CO -0.03 0.59 -0.19 0.15 -0.56 0.00 0.00 175.26 175.22 3kfe s LYS 197 N -0.92 2.89 -0.05 4.30 1.02 -1.26 -0.10 119.74 125.62 3kfe s LYS 197 Ca 0.12 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 3kfe s LYS 197 Cb -0.10 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 3kfe s LYS 197 CO 0.02 -0.24 0.11 0.15 -0.92 0.00 0.00 175.35 174.47 3kfe s LYS 198 N 1.28 0.09 0.00 1.68 -0.14 -0.96 -5.00 119.74 116.69 3kfe s LYS 198 Ca 0.04 0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 3kfe s LYS 198 Cb -0.14 -0.06 0.00 0.00 -1.68 0.00 0.00 37.83 35.96 3kfe s LYS 198 CO -0.12 -0.08 0.30 -1.13 -0.76 0.00 0.00 175.35 173.55 3kfe n SER 199 N 3.56 0.00 -1.29 2.83 3.41 -1.26 -4.18 113.62 116.70 3kfe n SER 199 Ca -0.19 0.30 0.17 0.00 -0.26 0.00 0.00 58.87 58.88 3kfe n SER 199 Cb 0.56 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.41 -2.46 2.73 5.00 0.00 -1.26 -1.35 105.19 107.45 3kfe n GLY 200 Ca 0.00 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.06 5.91 -1.97 4.61 0.00 -1.26 -3.49 120.51 121.25 3kfe n ALA 201 Ca -0.03 -4.56 0.00 0.00 0.00 0.00 0.00 53.44 48.86 3kfe n ALA 201 Cb 0.60 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 0.88 0.00 0.00 0.00 2.88 -1.26 -4.88 113.62 111.23 3kfe n SER 202 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 3kfe n SER 202 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.19 2.46 5.41 0.17 -4.15 119.36 123.44 3kfe n ILE 203 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 3kfe n ILE 203 Cb 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.08 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 0.26 4.38 5.19 -1.90 -3.13 116.42 121.23 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 -3.16 0.00 -4.77 6.45 8.00 -1.26 -4.82 116.55 116.98 3kfe n ASP 205 Ca 0.03 -0.58 -0.40 0.00 0.71 0.00 0.00 54.79 54.55 3kfe n ASP 205 Cb 0.59 -0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 -2.27 2.39 0.11 -3.53 -4.23 -1.18 -4.82 115.64 102.11 3kfe s THR 206 Ca 0.38 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 3kfe s THR 206 Cb 0.21 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 3kfe s THR 206 CO 0.40 0.07 0.19 -1.83 -0.54 0.00 0.00 174.62 172.92 3kfe s GLU 207 N -2.14 0.93 -0.12 3.99 -1.05 -0.66 -4.99 118.70 114.66 3kfe s GLU 207 Ca 0.55 -1.07 -0.20 0.00 -0.15 0.00 0.00 54.97 54.10 3kfe s GLU 207 Cb -0.42 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.57 3kfe s GLU 207 CO 0.55 -0.30 0.54 -1.17 0.95 0.00 0.00 175.26 175.83 3kfe s LEU 208 N -2.91 4.27 -0.26 1.83 2.96 -1.26 -1.38 118.68 121.93 3kfe s LEU 208 Ca 0.10 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3kfe s LEU 208 Cb 0.05 -2.80 0.04 0.00 0.50 0.00 0.00 46.19 43.98 3kfe s LEU 208 CO -0.07 -0.06 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.22 3kfe s ILE 209 N 0.81 2.79 -1.35 6.68 1.01 -0.16 -4.96 121.20 126.02 3kfe s ILE 209 Ca 0.29 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 3kfe s ILE 209 Cb -0.16 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 39.90 3kfe s ILE 209 CO 0.12 0.09 1.90 0.29 0.00 0.00 0.00 174.94 177.34 3kfe n LYS 210 N 4.62 3.13 0.00 2.79 5.02 -1.26 -0.93 118.16 131.54 3kfe n LYS 210 Ca -0.15 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.02 3kfe n LYS 210 Cb 0.45 -3.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.14 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 4.54 -0.85 3.02 0.72 0.00 -1.26 -1.52 105.19 109.84 3kfe n GLY 211 Ca 0.48 -0.13 -0.15 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 0.53 -0.24 1.61 1.01 -1.20 -3.41 120.40 114.70 3kfe s VAL 212 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3kfe s VAL 212 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3kfe s VAL 212 CO 0.00 -0.11 0.11 -0.22 0.00 0.00 0.00 175.10 174.89 3kfe s LEU 213 N -0.84 3.78 -0.16 3.92 2.96 -1.26 -1.83 118.68 125.25 3kfe s LEU 213 Ca -0.03 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3kfe s LEU 213 Cb -0.06 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 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 3.15 -0.60 1.68 1.01 -1.08 -5.01 120.40 120.81 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 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 3kfe s VAL 214 CO 0.05 0.49 3.03 -0.67 0.00 0.00 0.00 175.10 178.00 3kfe n ASP 215 N 3.98 6.63 -3.33 3.32 2.03 -1.26 -1.63 116.55 126.30 3kfe n ASP 215 Ca -0.18 -2.86 -0.20 0.00 0.52 0.00 0.00 54.79 52.07 3kfe n ASP 215 Cb 0.52 -1.36 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 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 1.93 0.66 -3.88 -0.67 4.76 -1.26 -5.02 118.16 114.69 3kfe n LYS 216 Ca 0.53 -2.67 -0.11 0.00 -2.87 0.00 0.00 58.31 53.19 3kfe n LYS 216 Cb 0.58 1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 35.12 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 -3.20 0.45 -0.11 1.97 -1.05 -1.26 -3.47 118.70 112.02 3kfe s GLU 217 Ca 0.16 -0.39 -0.41 0.00 -0.15 0.00 0.00 54.97 54.19 3kfe s GLU 217 Cb 0.01 0.19 -0.19 0.00 -0.44 0.00 0.00 34.13 33.69 3kfe s GLU 217 CO 0.11 -0.10 1.28 2.89 0.95 0.00 0.00 175.26 180.39 3kfe n ARG 218 N 1.55 0.31 0.21 -4.83 -4.01 -1.26 -4.73 116.66 103.89 3kfe n ARG 218 Ca -0.22 0.11 0.04 0.00 -1.04 0.00 0.00 57.85 56.74 3kfe n ARG 218 Cb 0.56 -1.65 0.45 0.00 -3.04 0.00 0.00 32.46 28.77 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 3.65 1.16 -3.31 8.89 3.04 -1.20 -3.40 116.25 125.07 3kfe h VAL 219 Ca -0.49 -0.94 -0.67 0.00 -1.01 0.00 0.00 66.70 63.60 3kfe h VAL 219 Cb 1.39 1.51 -0.32 0.00 -2.01 0.00 0.00 31.29 31.86 3kfe h VAL 219 CO 0.77 0.26 -0.85 -0.55 -1.01 0.00 0.00 177.57 176.19 3kfe s SER 220 N -6.91 3.33 0.45 3.17 0.15 -1.26 -5.01 113.70 107.61 3kfe s SER 220 Ca -0.03 -0.51 0.31 0.00 0.70 0.00 0.00 55.95 56.41 3kfe s SER 220 Cb 0.15 -1.47 1.50 0.00 -1.71 0.00 0.00 66.02 64.49 3kfe s SER 220 CO 0.70 0.14 1.93 0.00 1.20 0.00 0.00 173.24 177.22 3kfe h ALA 221 N 6.85 1.00 0.00 5.45 0.00 -1.97 -2.06 119.26 128.53 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 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kfe h ALA 221 CO 0.51 0.00 -0.03 0.94 0.00 0.00 0.00 179.25 180.67 3kfe n GLN 222 N -2.65 0.23 -1.29 0.00 7.27 -1.26 -4.88 117.38 114.80 3kfe n GLN 222 Ca -0.01 0.18 -0.31 0.00 0.07 0.00 0.00 57.00 56.94 3kfe n GLN 222 Cb 0.15 -1.76 0.09 0.00 2.41 0.00 0.00 30.24 31.13 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 2.21 0.60 3.69 -1.94 -0.78 -4.94 119.30 115.05 3kfe s MET 223 Ca 0.11 1.09 -0.19 0.00 -1.71 0.00 0.00 55.69 55.00 3kfe s MET 223 Cb 0.13 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 3kfe s MET 223 CO 0.59 -1.66 1.05 -2.30 -0.01 0.00 0.00 175.02 172.70 3kfe n PRO 224 N -3.52 1.00 -0.15 2.03 -0.02 -1.26 -4.93 135.00 128.14 3kfe n PRO 224 Ca 0.09 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 3kfe n PRO 224 Cb 0.53 -2.26 0.13 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.16 2.49 -3.63 -0.52 4.81 -1.26 -4.86 118.16 114.02 3kfe n LYS 225 Ca 0.14 -2.20 -0.13 0.00 -0.87 0.00 0.00 58.31 55.25 3kfe n LYS 225 Cb 0.47 -1.37 -0.07 0.00 0.02 0.00 0.00 35.03 34.08 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 -1.90 0.81 -0.01 1.64 2.20 -1.26 -3.12 119.74 118.10 3kfe s LYS 226 Ca 0.23 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 56.81 3kfe s LYS 226 Cb 0.17 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.90 3kfe s LYS 226 CO 0.06 -0.10 -0.01 0.08 -0.36 0.00 0.00 175.35 175.02 3kfe s VAL 227 N 0.39 0.16 0.15 4.02 1.01 -0.74 -5.03 120.40 120.37 3kfe s VAL 227 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.04 3kfe s VAL 227 Cb -0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3kfe s VAL 227 CO -0.00 0.09 0.01 0.42 0.00 0.00 0.00 175.10 175.62 3kfe s THR 228 N 0.45 3.85 -1.41 3.92 -4.23 -1.26 -1.01 115.64 115.95 3kfe s THR 228 Ca -0.04 -1.29 -0.14 0.00 -1.18 0.00 0.00 61.69 59.03 3kfe s THR 228 Cb -0.07 -2.91 0.13 0.00 1.34 0.00 0.00 72.50 70.99 3kfe s THR 228 CO -0.01 -0.05 0.56 0.47 -0.54 0.00 0.00 174.62 175.05 3kfe n ASP 229 N 0.03 -2.97 -4.75 3.99 8.00 -1.21 -4.88 116.55 114.76 3kfe n ASP 229 Ca -0.10 -0.66 -0.33 0.00 0.71 0.00 0.00 54.79 54.41 3kfe n ASP 229 Cb 0.54 -2.48 0.08 0.00 -0.02 0.00 0.00 41.12 39.24 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 -3.01 2.26 -0.22 2.24 0.00 -0.87 -4.88 121.76 117.29 3kfe s ALA 230 Ca 0.56 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 3kfe s ALA 230 Cb -0.31 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 3kfe s ALA 230 CO 0.69 -1.64 -0.07 0.15 0.00 0.00 0.00 175.76 174.89 3kfe s LYS 231 N -4.16 3.29 -0.23 0.00 1.02 -1.26 -3.31 119.74 115.09 3kfe s LYS 231 Ca 0.69 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.92 3kfe s LYS 231 Cb -0.23 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 3kfe s LYS 231 CO 0.45 -0.21 0.10 0.42 -0.92 0.00 0.00 175.35 175.19 3kfe s ILE 232 N 1.44 4.82 -0.31 2.17 1.01 -1.14 -2.66 121.20 126.53 3kfe s ILE 232 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 3kfe s ILE 232 Cb -0.14 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3kfe s ILE 232 CO -0.05 0.37 0.10 0.00 0.00 0.00 0.00 174.94 175.36 3kfe s ALA 233 N 1.10 3.10 -0.30 9.38 0.00 -0.34 -0.66 121.76 134.05 3kfe s ALA 233 Ca 0.05 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 3kfe s ALA 233 Cb -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3kfe s ALA 233 CO 0.04 -1.02 0.46 -0.51 0.00 0.00 0.00 175.76 174.73 3kfe s LEU 234 N 1.50 4.16 -0.32 0.00 1.02 -1.26 -2.00 118.68 121.78 3kfe s LEU 234 Ca 0.02 0.24 -0.09 0.00 0.02 0.00 0.00 54.13 54.32 3kfe s LEU 234 Cb -0.18 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.49 3kfe s LEU 234 CO 0.03 -0.32 0.13 -0.76 0.02 0.00 0.00 176.35 175.46 3kfe s LEU 235 N 2.25 4.16 0.00 1.79 1.43 -0.18 -2.66 118.68 125.46 3kfe s LEU 235 Ca 0.18 -0.73 0.30 0.00 -1.03 0.00 0.00 54.13 52.84 3kfe s LEU 235 Cb -0.16 -1.95 1.62 0.00 0.03 0.00 0.00 46.19 45.73 3kfe s LEU 235 CO 0.11 -0.24 2.07 -3.20 0.23 0.00 0.00 176.35 175.32 3kfe n ASN 236 N 4.93 0.00 -4.68 2.29 2.85 0.71 -1.83 115.26 119.52 3kfe n ASN 236 Ca -0.14 -0.45 -0.24 0.00 -0.11 0.00 0.00 54.58 53.64 3kfe n ASN 236 Cb 0.48 -0.18 0.10 0.00 1.24 0.00 0.00 39.78 41.42 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 -3.20 2.55 -1.01 0.00 0.00 -1.26 -3.91 121.76 114.93 3kfe s ALA 238 Ca 0.65 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.74 3kfe s ALA 238 Cb -0.06 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.55 3kfe s ALA 238 CO 0.45 -1.01 1.54 0.42 0.00 0.00 0.00 175.76 177.16 3kfe s ILE 239 N 1.16 3.84 1.01 0.00 1.01 -0.99 -4.97 121.20 122.26 3kfe s ILE 239 Ca -0.05 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 3kfe s ILE 239 Cb -0.18 -4.88 0.19 0.00 0.01 0.00 0.00 42.46 37.60 3kfe s ILE 239 CO -0.06 -1.77 1.17 -1.61 0.00 0.00 0.00 174.94 172.67 3kfe s GLU 240 N 5.31 0.36 0.03 2.79 8.01 -1.26 -1.94 118.70 132.00 3kfe s GLU 240 Ca 0.50 0.05 -0.01 0.00 0.01 0.00 0.00 54.97 55.53 3kfe s GLU 240 Cb -0.01 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.04 3kfe s GLU 240 CO -0.08 -2.68 0.05 -0.85 0.01 0.00 0.00 175.26 171.71 3kfe n GLU 263 N -4.05 0.07 0.00 1.61 0.28 -1.26 -4.67 120.64 112.62 3kfe n GLU 263 Ca 0.10 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 3kfe n GLU 263 Cb 0.59 0.24 0.00 0.00 1.43 0.00 0.00 31.44 33.70 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 -0.05 0.00 -1.42 3.84 -2.24 -1.26 -5.05 114.28 108.10 3kfe n THR 264 Ca -0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3kfe n THR 264 Cb 0.05 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.68 0.71 -2.53 6.98 0.00 -1.26 -4.99 120.51 116.75 3kfe n ALA 265 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 3kfe n ALA 265 Cb 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 0.30 -4.40 0.00 2.88 -1.26 -5.04 113.62 106.11 3kfe n SER 266 Ca -0.02 -2.05 -0.36 0.00 -1.33 0.00 0.00 58.87 55.12 3kfe n SER 266 Cb 0.22 -0.05 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.30 -0.99 0.00 -1.46 0.28 -1.26 -4.75 120.64 112.15 3kfe n GLU 267 Ca -0.05 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 3kfe n GLU 267 Cb 0.91 -4.10 0.00 0.00 1.43 0.00 0.00 31.44 29.68 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 -4.37 0.58 0.00 3.44 2.81 -1.26 -3.42 117.12 114.90 3kfe n MET 268 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 3kfe n MET 268 Cb 0.60 -1.24 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 0.09 0.00 0.28 4.03 7.99 -1.26 -4.42 117.00 123.70 3kfe n LEU 269 Ca 0.00 -0.38 0.17 0.00 -0.01 0.00 0.00 56.01 55.79 3kfe n LEU 269 Cb 0.12 0.00 0.77 0.00 -0.11 0.00 0.00 43.42 44.20 3kfe n LEU 269 CO 0.00 0.00 1.01 0.11 -1.51 0.00 0.00 177.39 177.00 3kfe h LYS 270 N 0.00 0.00 0.17 3.23 1.57 -1.95 -0.17 116.57 119.41 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 0.04 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.40 3kfe h ASP 271 N 0.00 -0.19 -0.96 0.86 3.45 -1.82 -2.02 116.42 115.74 3kfe h ASP 271 Ca -0.00 0.01 0.16 0.00 0.43 0.00 0.00 57.03 57.63 3kfe h ASP 271 Cb 0.42 0.05 -0.09 0.00 -0.56 0.00 0.00 39.33 39.16 3kfe h ASP 271 CO 0.01 -0.11 0.61 0.24 -1.57 0.00 0.00 179.24 178.41 3kfe h MET 272 N -0.29 0.73 0.00 3.56 2.86 -1.76 -0.72 114.93 119.31 3kfe h MET 272 Ca -0.02 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 3kfe h MET 272 Cb 0.18 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3kfe h MET 272 CO 0.04 0.48 -0.53 0.28 1.06 0.00 0.00 176.91 178.24 3kfe h VAL 273 N 0.75 0.99 0.00 -2.22 2.07 -1.11 -3.20 116.25 113.52 3kfe h VAL 273 Ca 0.51 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3kfe h VAL 273 Cb 0.79 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3kfe h VAL 273 CO -0.27 0.52 -1.17 0.00 0.02 0.00 0.00 177.57 176.66 3kfe n ALA 274 N -2.26 4.34 0.16 1.67 0.00 -0.76 -3.45 120.51 120.21 3kfe n ALA 274 Ca 0.01 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 52.91 3kfe n ALA 274 Cb 0.69 -0.78 0.14 0.00 0.00 0.00 0.00 19.45 19.50 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 0.16 0.00 5.08 -1.18 -2.57 114.58 116.06 3kfe h GLU 275 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3kfe h GLU 275 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kfe h GLU 275 CO 0.00 0.47 -1.41 0.82 -1.00 0.00 0.00 179.01 177.89 3kfe h ILE 276 N 0.00 1.32 0.00 3.13 2.04 -1.67 -3.16 117.51 119.16 3kfe h ILE 276 Ca -0.00 -2.88 0.00 0.00 1.00 0.00 0.00 64.86 62.98 3kfe h ILE 276 Cb 1.21 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 3kfe h ILE 276 CO 0.06 0.85 0.00 1.17 0.00 0.00 0.00 178.15 180.23 3kfe n LYS 277 N -3.55 0.15 0.10 2.37 4.81 -1.22 -2.75 118.16 118.07 3kfe n LYS 277 Ca -0.14 0.28 -0.04 0.00 -0.87 0.00 0.00 58.31 57.54 3kfe n LYS 277 Cb 1.05 -1.73 0.11 0.00 0.02 0.00 0.00 35.03 34.48 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 2.47 0.83 0.00 3.14 0.00 -1.42 -3.17 119.26 121.10 3kfe h ALA 278 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3kfe h ALA 278 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kfe h ALA 278 CO 0.00 0.80 -0.33 0.66 0.00 0.00 0.00 179.25 180.38 3kfe h SER 279 N 0.09 0.00 0.00 0.00 4.64 -1.58 -3.48 113.55 113.21 3kfe h SER 279 Ca -0.01 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kfe h SER 279 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kfe h SER 279 CO 0.10 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3kfe n GLY 280 N 1.29 1.13 3.59 -0.77 0.00 -1.20 -4.69 105.19 104.54 3kfe n GLY 280 Ca 0.04 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 3.54 -2.05 4.61 0.00 -1.23 -4.72 121.76 119.91 3kfe s ALA 281 Ca 0.00 -0.78 0.21 0.00 0.00 0.00 0.00 51.96 51.39 3kfe s ALA 281 Cb 0.00 -2.94 0.57 0.00 0.00 0.00 0.00 23.12 20.75 3kfe s ALA 281 CO 0.00 -0.94 1.48 0.27 0.00 0.00 0.00 175.76 176.57 3kfe n ASN 282 N 5.63 3.50 -3.74 0.00 0.23 -1.09 -4.72 115.26 115.06 3kfe n ASN 282 Ca -0.04 -1.99 -0.13 0.00 -0.53 0.00 0.00 54.58 51.89 3kfe n ASN 282 Cb 0.49 -0.42 -0.11 0.00 -2.08 0.00 0.00 39.78 37.67 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 -1.16 -0.01 -0.08 3.53 1.01 -1.21 -1.73 120.40 120.74 3kfe s VAL 283 Ca 0.44 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 3kfe s VAL 283 Cb 0.23 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 36.16 3kfe s VAL 283 CO 0.30 0.01 0.16 -0.22 0.00 0.00 0.00 175.10 175.35 3kfe s LEU 284 N 0.47 0.18 -0.32 3.92 2.96 0.21 -1.19 118.68 124.91 3kfe s LEU 284 Ca -0.02 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3kfe s LEU 284 Cb -0.04 0.33 0.03 0.00 0.50 0.00 0.00 46.19 47.01 3kfe s LEU 284 CO -0.02 -0.21 0.09 -0.36 -1.32 0.00 0.00 176.35 174.53 3kfe s PHE 285 N 1.91 3.21 -0.15 5.38 0.40 -0.85 -1.69 117.98 126.20 3kfe s PHE 285 Ca -0.01 -1.26 -0.05 0.00 -0.60 0.00 0.00 56.93 55.01 3kfe s PHE 285 Cb -0.12 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 3kfe s PHE 285 CO -0.06 -0.67 0.02 0.00 0.70 0.00 0.00 175.22 175.21 3kfe h GLN 287 N 6.18 0.16 0.00 0.00 4.15 -1.59 -0.88 115.11 123.13 3kfe h GLN 287 Ca -0.40 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 58.74 3kfe h GLN 287 Cb 1.18 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3kfe h GLN 287 CO 0.64 1.13 0.00 1.63 -1.93 0.00 0.00 178.83 180.29 3kfe n LYS 288 N -3.46 2.86 -3.38 1.69 4.76 -1.25 -3.56 118.16 115.82 3kfe n LYS 288 Ca -0.05 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 3kfe n LYS 288 Cb 0.99 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 34.13 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 -0.71 2.31 -0.31 0.72 0.00 -1.26 -1.20 107.32 106.87 3kfe s GLY 289 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3kfe s GLY 289 CO 0.00 -0.06 -0.00 -0.42 0.00 0.00 0.00 173.10 172.62 3kfe s ILE 290 N -1.80 2.69 0.95 0.90 1.01 -1.26 -2.34 121.20 121.35 3kfe s ILE 290 Ca 0.47 -1.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 3kfe s ILE 290 Cb -0.11 -2.65 0.11 0.00 0.01 0.00 0.00 42.46 39.82 3kfe s ILE 290 CO 0.20 -0.22 0.83 -0.67 0.00 0.00 0.00 174.94 175.09 3kfe n ASP 291 N 4.51 -0.75 0.28 3.58 -0.08 -0.82 -4.76 116.55 118.52 3kfe n ASP 291 Ca -0.10 0.34 0.18 0.00 -1.51 0.00 0.00 54.79 53.70 3kfe n ASP 291 Cb 0.43 -1.35 0.73 0.00 2.34 0.00 0.00 41.12 43.26 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 -1.83 0.00 0.12 1.67 3.32 -1.95 -2.58 116.42 115.18 3kfe h ASP 292 Ca -0.44 0.00 -0.24 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 40.86 3kfe h ASP 292 CO 0.39 0.00 -1.03 -0.07 -1.72 0.00 0.00 179.24 176.81 3kfe h LEU 293 N 0.00 0.69 -0.10 1.55 3.38 -1.94 -3.27 115.31 115.62 3kfe h LEU 293 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3kfe h LEU 293 Cb 0.47 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kfe h LEU 293 CO 0.00 1.49 0.00 0.00 0.09 0.00 0.00 178.44 180.02 3kfe n ALA 294 N -2.67 2.56 -0.05 1.53 0.00 -1.07 -2.69 120.51 118.12 3kfe n ALA 294 Ca -0.14 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 3kfe n ALA 294 Cb 0.89 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.57 0.66 0.06 0.00 6.02 -0.99 -3.94 117.38 118.62 3kfe n GLN 295 Ca 0.08 0.13 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 3kfe n GLN 295 Cb 0.06 -1.66 -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 0.19 0.00 1.08 2.76 -1.56 -3.04 115.15 114.58 3kfe h HIS 296 Ca -0.38 -0.14 -0.08 0.00 -2.20 0.00 0.00 60.37 57.57 3kfe h HIS 296 Cb 2.04 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.98 3kfe h HIS 296 CO 0.00 1.13 -0.39 1.88 -1.30 0.00 0.00 177.93 179.25 3kfe h TYR 297 N 0.03 0.00 0.01 5.26 0.05 -1.72 -1.96 116.97 118.64 3kfe h TYR 297 Ca -0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 3kfe h TYR 297 Cb 1.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.63 3kfe h TYR 297 CO 0.02 0.39 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.36 3kfe h LEU 298 N 0.00 0.06 -1.22 3.88 3.38 -1.68 -3.04 115.31 116.69 3kfe h LEU 298 Ca -0.00 -0.91 0.16 0.00 0.09 0.00 0.00 57.88 57.22 3kfe h LEU 298 Cb 1.07 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 3kfe h LEU 298 CO 0.05 0.96 0.60 0.00 0.09 0.00 0.00 178.44 180.14 3kfe h ALA 299 N 0.10 1.80 0.00 1.53 0.00 -1.54 -0.35 119.26 120.80 3kfe h ALA 299 Ca -0.01 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3kfe h ALA 299 Cb 0.99 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kfe h ALA 299 CO 0.02 -0.07 -0.34 -0.22 0.00 0.00 0.00 179.25 178.64 3kfe h LYS 300 N 0.72 0.00 0.00 0.00 3.64 -1.43 -3.15 116.57 116.36 3kfe h LYS 300 Ca 0.48 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.77 3kfe h LYS 300 Cb 0.77 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 3kfe h LYS 300 CO -0.24 0.34 -1.13 0.93 -2.27 0.00 0.00 179.45 177.07 3kfe h GLU 301 N 0.00 0.00 0.00 1.90 4.39 -0.96 -3.48 114.58 116.43 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 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3kfe h GLU 301 CO 0.04 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.49 3kfe n GLY 302 N 1.29 0.88 3.68 -3.84 0.00 -0.85 -5.08 105.19 101.27 3kfe n GLY 302 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 5.10 0.19 -0.61 1.01 -1.07 -4.70 121.20 119.12 3kfe s ILE 303 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.48 3kfe s ILE 303 Cb 0.00 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 3kfe s ILE 303 CO 0.00 0.20 0.70 -0.69 0.00 0.00 0.00 174.94 175.15 3kfe s VAL 304 N 1.40 4.58 -0.02 2.92 1.01 -0.71 -4.27 120.40 125.31 3kfe s VAL 304 Ca 0.26 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 3kfe s VAL 304 Cb -0.16 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3kfe s VAL 304 CO 0.10 0.30 0.29 0.00 0.00 0.00 0.00 175.10 175.79 3kfe s ALA 305 N -1.41 -0.73 -0.04 5.51 0.00 -1.25 0.65 121.76 124.49 3kfe s ALA 305 Ca 0.40 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3kfe s ALA 305 Cb -0.18 0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3kfe s ALA 305 CO 0.21 -0.24 -0.11 0.00 0.00 0.00 0.00 175.76 175.62 3kfe s ALA 306 N -1.20 1.07 0.12 0.00 0.00 -0.68 -0.54 121.76 120.53 3kfe s ALA 306 Ca -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3kfe s ALA 306 Cb -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3kfe s ALA 306 CO 0.04 0.15 0.22 -0.98 0.00 0.00 0.00 175.76 175.18 3kfe s ARG 307 N 0.35 3.31 -1.26 0.00 1.70 -1.26 -0.57 118.95 121.22 3kfe s ARG 307 Ca -0.07 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 54.58 3kfe s ARG 307 Cb -0.11 -2.92 -0.00 0.00 -0.57 0.00 0.00 34.95 31.34 3kfe s ARG 307 CO 0.02 0.55 0.79 0.54 -1.08 0.00 0.00 175.30 176.12 3kfe n ARG 308 N -0.16 -5.02 -2.79 3.89 1.74 -0.34 -4.94 116.66 109.04 3kfe n ARG 308 Ca -0.07 0.69 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 3kfe n ARG 308 Cb 0.53 -5.35 -0.05 0.00 -1.02 0.00 0.00 32.46 26.57 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 -3.56 4.33 0.23 1.55 1.01 -0.94 -4.98 120.40 118.03 3kfe s VAL 309 Ca 0.05 2.00 -0.28 0.00 0.00 0.00 0.00 61.98 63.75 3kfe s VAL 309 Cb -0.01 -4.29 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 3kfe s VAL 309 CO 0.79 0.42 0.67 0.29 0.00 0.00 0.00 175.10 177.27 3kfe n LYS 310 N 2.13 0.42 -0.23 2.72 4.76 -1.26 -4.58 118.16 122.12 3kfe n LYS 310 Ca -0.01 0.15 0.01 0.00 -2.87 0.00 0.00 58.31 55.59 3kfe n LYS 310 Cb 0.48 -1.26 0.25 0.00 -1.84 0.00 0.00 35.03 32.66 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 1.31 0.99 -0.55 1.97 3.64 -1.94 -1.24 116.57 120.75 3kfe h LYS 311 Ca -0.32 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 3kfe h LYS 311 Cb 1.41 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3kfe h LYS 311 CO 0.58 0.65 0.20 0.66 -2.27 0.00 0.00 179.45 179.28 3kfe h SER 312 N 1.02 0.73 0.90 4.20 4.64 -2.01 -1.68 113.55 121.35 3kfe h SER 312 Ca 0.30 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kfe h SER 312 Cb -0.06 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3kfe h SER 312 CO -0.07 0.67 0.00 0.47 -0.87 0.00 0.00 176.83 177.03 3kfe n ASP 313 N -4.32 0.50 0.06 4.97 8.00 -0.54 -2.29 116.55 122.93 3kfe n ASP 313 Ca 0.04 0.59 -0.20 0.00 0.71 0.00 0.00 54.79 55.94 3kfe n ASP 313 Cb 0.17 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.42 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 0.31 -0.06 -1.24 2.86 -0.57 -2.95 114.93 113.28 3kfe h MET 314 Ca 0.00 -0.54 -0.19 0.00 -2.06 0.00 0.00 59.70 56.91 3kfe h MET 314 Cb 0.45 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3kfe h MET 314 CO 0.00 1.20 -0.78 0.93 1.06 0.00 0.00 176.91 179.32 3kfe h GLU 315 N 0.09 0.40 -0.66 1.72 5.08 -1.47 -0.07 114.58 119.66 3kfe h GLU 315 Ca -0.30 -0.35 0.06 0.00 -1.00 0.00 0.00 59.36 57.76 3kfe h GLU 315 Cb 2.06 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 31.34 3kfe h GLU 315 CO 0.16 1.00 0.37 0.87 -1.00 0.00 0.00 179.01 180.42 3kfe h LYS 316 N 0.26 0.68 -0.04 2.33 1.79 -1.56 -1.99 116.57 118.03 3kfe h LYS 316 Ca -0.04 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.17 3kfe h LYS 316 Cb 1.37 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3kfe h LYS 316 CO 0.13 0.45 -0.87 -0.07 -1.08 0.00 0.00 179.45 178.01 3kfe h LEU 317 N 0.70 0.63 -0.54 2.94 3.38 -1.43 -2.41 115.31 118.58 3kfe h LEU 317 Ca 0.29 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3kfe h LEU 317 Cb 0.17 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3kfe h LEU 317 CO -0.17 1.25 0.13 0.00 0.09 0.00 0.00 178.44 179.74 3kfe h ALA 318 N 0.72 0.63 0.19 1.53 0.00 -0.61 -3.11 119.26 118.61 3kfe h ALA 318 Ca -0.07 0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 3kfe h ALA 318 Cb 1.49 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.43 3kfe h ALA 318 CO 0.16 -0.28 -1.53 0.87 0.00 0.00 0.00 179.25 178.47 3kfe h LYS 319 N 0.27 0.39 -0.14 0.00 1.57 -1.37 -1.82 116.57 115.48 3kfe h LYS 319 Ca 0.27 -0.67 -0.16 0.00 -1.87 0.00 0.00 60.65 58.22 3kfe h LYS 319 Cb 0.37 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3kfe h LYS 319 CO -0.34 1.32 -0.60 0.00 -0.57 0.00 0.00 179.45 179.27 3kfe h ALA 320 N 0.09 0.70 0.03 3.86 0.00 -1.45 -3.21 119.26 119.28 3kfe h ALA 320 Ca -0.30 -0.54 -0.29 0.00 0.00 0.00 0.00 54.91 53.78 3kfe h ALA 320 Cb 2.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 3kfe h ALA 320 CO 0.18 0.71 -1.63 1.79 0.00 0.00 0.00 179.25 180.29 3kfe h THR 321 N 0.35 0.96 -0.13 0.00 1.35 -1.74 -3.35 112.91 110.36 3kfe h THR 321 Ca -0.00 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 3kfe h THR 321 Cb 1.14 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3kfe h THR 321 CO 0.11 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 3kfe n GLY 322 N 1.60 1.08 0.00 5.82 0.00 -1.22 -2.35 105.19 110.12 3kfe n GLY 322 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 0.00 -3.69 4.61 0.00 -0.69 -4.19 120.51 116.12 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 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.98 -0.24 -0.68 0.00 0.01 -1.00 -4.83 114.94 107.22 3kfe s ASN 324 Ca 0.00 0.49 -0.27 0.00 -0.71 0.00 0.00 52.86 52.36 3kfe s ASN 324 Cb 0.00 0.38 0.03 0.00 0.41 0.00 0.00 41.25 42.07 3kfe s ASN 324 CO 0.00 -0.16 1.24 -0.69 -1.51 0.00 0.00 177.10 175.98 3kfe s VAL 325 N 1.17 3.84 -0.22 1.60 1.01 -1.26 -4.33 120.40 122.20 3kfe s VAL 325 Ca -0.09 0.54 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 3kfe s VAL 325 Cb -0.10 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.39 3kfe s VAL 325 CO -0.08 -1.67 0.23 -0.63 0.00 0.00 0.00 175.10 172.95 3kfe s ILE 326 N 5.42 5.31 -0.06 2.22 -1.09 -1.09 -4.83 121.20 127.09 3kfe s ILE 326 Ca 0.37 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 59.18 3kfe s ILE 326 Cb -0.08 -3.57 -0.25 0.00 -1.58 0.00 0.00 42.46 36.98 3kfe s ILE 326 CO 0.18 0.33 0.61 0.74 -1.23 0.00 0.00 174.94 175.57 3kfe h THR 327 N 4.99 0.83 -3.47 2.92 2.02 -1.89 0.20 112.91 118.51 3kfe h THR 327 Ca -0.38 -2.62 -0.72 0.00 0.77 0.00 0.00 66.41 63.47 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 0.67 -0.35 0.21 0.37 0.00 0.00 175.52 177.11 3kfe s ASN 328 N -6.51 6.14 0.59 4.18 2.47 -1.26 -4.13 114.94 116.42 3kfe s ASN 328 Ca -0.11 -0.92 0.31 0.00 0.42 0.00 0.00 52.86 52.56 3kfe s ASN 328 Cb 0.07 -2.18 1.83 0.00 -1.45 0.00 0.00 41.25 39.53 3kfe s ASN 328 CO 0.81 -0.53 2.25 -0.29 -3.72 0.00 0.00 177.10 175.62 3kfe h ILE 329 N 5.68 0.49 -0.29 -5.21 2.10 -2.01 -1.15 117.51 117.13 3kfe h ILE 329 Ca -0.27 -0.05 -0.12 0.00 1.08 0.00 0.00 64.86 65.50 3kfe h ILE 329 Cb 1.12 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.88 3kfe h ILE 329 CO 0.78 0.01 -0.28 0.11 -1.08 0.00 0.00 178.15 177.69 3kfe h LYS 330 N 0.00 0.70 -0.99 2.19 1.79 -1.97 -3.13 116.57 115.16 3kfe h LYS 330 Ca -0.00 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3kfe h LYS 330 Cb 0.03 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3kfe h LYS 330 CO 0.00 0.98 0.00 -3.47 -1.08 0.00 0.00 179.45 175.89 3kfe n ASP 331 N -4.27 1.66 -4.56 0.86 2.03 -0.44 -4.73 116.55 107.10 3kfe n ASP 331 Ca -0.04 -2.02 -0.37 0.00 0.52 0.00 0.00 54.79 52.88 3kfe n ASP 331 Cb 0.47 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.06 3.36 1.11 -2.67 2.96 -1.18 -4.98 118.68 117.23 3kfe s LEU 332 Ca 0.01 -1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 52.71 3kfe s LEU 332 Cb 0.01 -2.56 0.25 0.00 0.50 0.00 0.00 46.19 44.38 3kfe s LEU 332 CO 0.00 -1.95 1.06 -0.55 -1.32 0.00 0.00 176.35 173.60 3kfe s SER 333 N 5.94 1.59 0.00 3.68 0.15 -1.26 -4.77 113.70 119.03 3kfe s SER 333 Ca 0.53 1.17 0.21 0.00 0.70 0.00 0.00 55.95 58.56 3kfe s SER 333 Cb -0.03 -1.81 0.61 0.00 -1.71 0.00 0.00 66.02 63.08 3kfe s SER 333 CO -0.04 -3.77 1.48 0.00 1.20 0.00 0.00 173.24 172.11 3kfe n ALA 334 N -4.60 2.48 0.01 5.45 0.00 -1.26 -3.74 120.51 118.86 3kfe n ALA 334 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 53.44 52.83 3kfe n ALA 334 Cb 0.57 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 0.72 1.84 -0.30 0.00 3.00 -1.26 -4.49 117.38 116.90 3kfe n GLN 335 Ca 0.17 -1.39 0.06 0.00 -0.01 0.00 0.00 57.00 55.82 3kfe n GLN 335 Cb 0.42 -1.09 0.19 0.00 0.00 0.00 0.00 30.24 29.76 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 -0.00 2.63 -4.85 1.08 10.43 -1.25 -4.86 116.55 119.73 3kfe n ASP 336 Ca 0.04 -2.16 -0.37 0.00 2.57 0.00 0.00 54.79 54.87 3kfe n ASP 336 Cb 0.25 -0.37 -0.06 0.00 1.84 0.00 0.00 41.12 42.77 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 -1.16 4.37 0.00 0.64 1.43 -1.26 -2.38 118.68 120.33 3kfe s LEU 337 Ca 0.28 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 3kfe s LEU 337 Cb 0.17 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3kfe s LEU 337 CO 0.16 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.70 3kfe n GLY 338 N 2.25 -0.66 3.03 -3.19 0.00 0.17 -4.58 105.19 102.21 3kfe n GLY 338 Ca -0.18 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 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 0.28 -0.03 1.61 2.15 -0.99 -2.88 116.67 115.81 3kfe s ASP 339 Ca 0.00 0.52 0.04 0.00 0.43 0.00 0.00 52.55 53.54 3kfe s ASP 339 Cb 0.00 0.94 -0.00 0.00 -0.30 0.00 0.00 42.92 43.56 3kfe s ASP 339 CO 0.00 -0.26 -0.15 0.00 -0.17 0.00 0.00 175.17 174.59 3kfe s ALA 340 N 2.49 1.33 -1.93 3.66 0.00 -1.21 -4.06 121.76 122.05 3kfe s ALA 340 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3kfe s ALA 340 Cb -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3kfe s ALA 340 CO -0.12 0.25 0.64 0.41 0.00 0.00 0.00 175.76 176.94 3kfe n GLY 341 N 3.10 -0.54 3.65 0.00 0.00 -0.55 -2.04 105.19 108.80 3kfe n GLY 341 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.93 -0.15 -0.19 0.99 0.20 -1.24 -3.33 118.68 114.03 3kfe s LEU 342 Ca 0.00 0.25 -0.01 0.00 0.69 0.00 0.00 54.13 55.06 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 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.30 3kfe s VAL 343 N 0.95 1.12 0.01 1.68 1.01 -0.18 -2.28 120.40 122.71 3kfe s VAL 343 Ca -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3kfe s VAL 343 Cb -0.03 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3kfe s VAL 343 CO -0.11 -0.03 -0.04 -0.70 0.00 0.00 0.00 175.10 174.22 3kfe s GLU 344 N 1.60 0.31 -0.35 2.72 2.12 0.01 -1.79 118.70 123.33 3kfe s GLU 344 Ca -0.02 -0.37 -0.19 0.00 0.36 0.00 0.00 54.97 54.75 3kfe s GLU 344 Cb -0.17 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.07 3kfe s GLU 344 CO -0.07 0.03 0.55 -2.00 -0.54 0.00 0.00 175.26 173.23 3kfe s GLU 345 N -0.75 3.67 0.18 4.30 2.12 -1.18 0.26 118.70 127.30 3kfe s GLU 345 Ca -0.06 -0.06 0.10 0.00 0.36 0.00 0.00 54.97 55.31 3kfe s GLU 345 Cb -0.05 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 3kfe s GLU 345 CO -0.00 -0.66 -0.16 1.03 -0.54 0.00 0.00 175.26 174.93 3kfe s ARG 346 N 2.49 1.80 -0.33 4.30 0.52 -0.17 -4.95 118.95 122.62 3kfe s ARG 346 Ca 0.21 -1.38 -0.15 0.00 -0.52 0.00 0.00 55.73 53.89 3kfe s ARG 346 Cb -0.15 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 3kfe s ARG 346 CO 0.13 0.42 0.36 0.15 0.02 0.00 0.00 175.30 176.39 3kfe s LYS 347 N -2.72 3.65 -0.19 3.54 1.02 -1.26 -0.34 119.74 123.44 3kfe s LYS 347 Ca 0.23 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 55.88 3kfe s LYS 347 Cb -0.08 -3.78 0.05 0.00 -0.52 0.00 0.00 37.83 33.50 3kfe s LYS 347 CO 0.12 -0.48 -0.06 -1.50 -0.92 0.00 0.00 175.35 172.52 3kfe s ILE 348 N 2.03 1.31 -0.97 2.17 1.10 -0.30 -4.72 121.20 121.81 3kfe s ILE 348 Ca 0.12 -0.87 -0.05 0.00 -0.51 0.00 0.00 60.65 59.34 3kfe s ILE 348 Cb -0.16 -1.50 0.01 0.00 0.15 0.00 0.00 42.46 40.95 3kfe s ILE 348 CO 0.11 0.06 0.70 -0.24 -2.11 0.00 0.00 174.94 173.46 3kfe n SER 349 N 4.79 -4.92 0.00 4.50 2.88 -1.26 -3.76 113.62 115.85 3kfe n SER 349 Ca -0.12 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 3kfe n SER 349 Cb 0.46 -3.58 0.00 0.00 -0.75 0.00 0.00 64.21 60.34 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 -1.46 2.28 3.75 0.46 0.00 -1.26 -4.88 105.19 104.09 3kfe n GLY 350 Ca -0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 5.44 -0.24 1.61 1.01 -1.25 -4.90 116.67 118.35 3kfe s ASP 351 Ca 0.00 2.55 -0.06 0.00 0.71 0.00 0.00 52.55 55.75 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 -1.44 0.04 -0.94 0.21 0.00 0.00 175.17 173.04 3kfe s SER 352 N -1.23 4.91 0.28 0.27 1.04 -1.26 -1.15 113.70 116.55 3kfe s SER 352 Ca 0.72 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.96 3kfe s SER 352 Cb -0.35 -1.87 -0.06 0.00 0.10 0.00 0.00 66.02 63.84 3kfe s SER 352 CO 0.40 -0.02 -0.06 -0.04 0.98 0.00 0.00 173.24 174.51 3kfe s MET 353 N 1.51 1.55 -0.53 4.02 -1.94 0.54 -4.63 119.30 119.81 3kfe s MET 353 Ca 0.06 -1.78 -0.15 0.00 -1.71 0.00 0.00 55.69 52.11 3kfe s MET 353 Cb -0.15 -1.14 0.13 0.00 2.01 0.00 0.00 34.83 35.68 3kfe s MET 353 CO 0.02 0.03 0.48 0.42 -0.01 0.00 0.00 175.02 175.96 3kfe s ILE 354 N -3.02 5.01 -0.02 2.53 1.01 -0.64 -1.00 121.20 125.06 3kfe s ILE 354 Ca 0.29 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.06 3kfe s ILE 354 Cb 0.04 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 3kfe s ILE 354 CO 0.12 -0.86 1.07 -0.36 0.00 0.00 0.00 174.94 174.91 3kfe s PHE 355 N 1.51 3.50 -0.69 3.97 0.40 0.14 -2.63 117.98 124.18 3kfe s PHE 355 Ca 0.04 1.51 0.04 0.00 -0.60 0.00 0.00 56.93 57.92 3kfe s PHE 355 Cb -0.29 -3.25 0.32 0.00 0.51 0.00 0.00 43.02 40.31 3kfe s PHE 355 CO 0.02 -0.54 1.09 0.28 0.70 0.00 0.00 175.22 176.77 3kfe n VAL 356 N 4.19 3.59 -2.17 -0.44 0.31 -0.76 -0.81 118.33 122.24 3kfe n VAL 356 Ca 0.08 -5.61 -0.04 0.00 -0.01 0.00 0.00 64.34 58.76 3kfe n VAL 356 Cb 0.49 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 31.84 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 0.07 0.43 -4.18 5.55 0.28 -0.97 -3.21 120.64 118.61 3kfe n GLU 357 Ca 0.33 -0.42 -0.29 0.00 -0.16 0.00 0.00 57.16 56.63 3kfe n GLU 357 Cb 0.37 -0.12 -0.07 0.00 1.43 0.00 0.00 31.44 33.05 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 -1.31 -1.83 -1.59 3.44 1.02 -1.24 -3.45 120.64 115.68 3kfe n GLU 358 Ca 0.03 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 3kfe n GLU 358 Cb 0.09 -3.94 0.11 0.00 -0.02 0.00 0.00 31.44 27.69 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 -1.30 0.00 -2.85 0.00 1.79 -1.84 -3.45 116.57 108.92 3kfe h LYS 360 Ca -0.49 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.37 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 0.62 0.00 -0.65 1.58 -1.08 0.00 0.00 179.45 179.91 3kfe n HIS 361 N -3.94 2.51 -2.33 -1.35 -0.00 -1.26 -5.09 115.22 103.76 3kfe n HIS 361 Ca -0.03 -4.11 -0.42 0.00 0.46 0.00 0.00 57.72 53.61 3kfe n HIS 361 Cb 0.13 -0.46 -0.03 0.00 -0.12 0.00 0.00 29.99 29.51 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 4.36 0.00 1.57 0.02 -1.26 -4.76 135.00 133.63 3kfe s PRO 362 Ca 0.28 1.86 0.12 0.00 0.02 0.00 0.00 61.00 63.28 3kfe s PRO 362 Cb -0.00 -3.42 0.28 0.00 0.02 0.00 0.00 34.50 31.38 3kfe s PRO 362 CO -0.16 -0.40 1.19 1.63 -0.33 0.00 0.00 177.00 178.93 3kfe n LYS 363 N 4.48 2.33 -3.96 5.54 4.76 -1.22 -4.62 118.16 125.47 3kfe n LYS 363 Ca 0.11 -1.89 -0.09 0.00 -2.87 0.00 0.00 58.31 53.56 3kfe n LYS 363 Cb 0.45 -1.28 -0.11 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.01 0.05 0.02 7.82 0.00 -1.26 -4.74 121.76 122.64 3kfe s ALA 364 Ca 0.23 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 3kfe s ALA 364 Cb 0.13 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3kfe s ALA 364 CO 0.17 -0.20 0.16 0.08 0.00 0.00 0.00 175.76 175.98 3kfe s VAL 365 N -1.71 0.10 -0.09 0.00 1.01 -0.89 -4.10 120.40 114.72 3kfe s VAL 365 Ca -0.13 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3kfe s VAL 365 Cb -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3kfe s VAL 365 CO -0.01 -0.45 -0.22 -0.89 0.00 0.00 0.00 175.10 173.52 3kfe s THR 366 N -2.04 2.27 -0.40 3.92 2.01 -0.11 -0.11 115.64 121.18 3kfe s THR 366 Ca -0.09 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.78 3kfe s THR 366 Cb -0.04 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.62 3kfe s THR 366 CO -0.01 0.56 0.39 -0.04 -0.69 0.00 0.00 174.62 174.83 3kfe s MET 367 N 0.11 3.16 -0.51 4.92 -1.94 0.19 -0.99 119.30 124.23 3kfe s MET 367 Ca -0.11 -0.75 -0.23 0.00 -1.71 0.00 0.00 55.69 52.89 3kfe s MET 367 Cb -0.16 -3.94 0.04 0.00 2.01 0.00 0.00 34.83 32.78 3kfe s MET 367 CO 0.06 -0.77 0.85 -1.17 -0.01 0.00 0.00 175.02 173.98 3kfe s LEU 368 N 2.02 4.27 0.11 -0.03 2.96 -0.48 -1.40 118.68 126.14 3kfe s LEU 368 Ca 0.11 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.58 3kfe s LEU 368 Cb -0.17 -2.83 -0.06 0.00 0.50 0.00 0.00 46.19 43.63 3kfe s LEU 368 CO 0.13 -1.07 0.42 -0.63 -1.32 0.00 0.00 176.35 173.87 3kfe s ILE 369 N 3.54 5.07 -0.01 6.68 1.01 0.86 -1.66 121.20 136.69 3kfe s ILE 369 Ca 0.28 0.43 -0.09 0.00 0.00 0.00 0.00 60.65 61.28 3kfe s ILE 369 Cb -0.13 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3kfe s ILE 369 CO 0.20 0.22 0.18 -0.13 0.00 0.00 0.00 174.94 175.41 3kfe s ARG 370 N -2.08 0.47 -0.01 2.79 0.52 -1.26 -2.26 118.95 117.12 3kfe s ARG 370 Ca 0.36 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.03 3kfe s ARG 370 Cb -0.14 0.20 0.10 0.00 0.52 0.00 0.00 34.95 35.64 3kfe s ARG 370 CO 0.19 -0.11 0.92 0.20 0.02 0.00 0.00 175.30 176.52 3kfe s GLY 371 N -1.11 -0.44 0.07 -3.53 0.00 -0.46 -0.65 107.32 101.19 3kfe s GLY 371 Ca -0.12 1.01 -0.33 0.00 0.00 0.00 0.00 44.72 45.29 3kfe s GLY 371 CO 0.02 0.33 1.50 -0.91 0.00 0.00 0.00 173.10 174.04 3kfe h THR 372 N 2.00 0.00 -6.43 0.90 1.35 -1.73 -3.37 112.91 105.63 3kfe h THR 372 Ca -0.21 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 65.18 3kfe h THR 372 Cb 1.24 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3kfe h THR 372 CO 0.30 0.00 -0.08 0.35 -0.25 0.00 0.00 175.52 175.84 3kfe n THR 373 N -5.21 0.00 0.10 6.82 -2.24 -1.26 -4.69 114.28 107.80 3kfe n THR 373 Ca -0.12 -1.86 -0.23 0.00 -2.27 0.00 0.00 64.05 59.57 3kfe n THR 373 Cb 0.44 -0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.42 0.00 -0.78 4.57 -1.99 -2.66 114.58 114.13 3kfe h GLU 374 Ca -0.26 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.20 3kfe h GLU 374 Cb 1.19 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 3kfe h GLU 374 CO 0.38 1.34 0.00 0.45 -1.18 0.00 0.00 179.01 180.00 3kfe h HIS 375 N -0.11 0.00 -0.23 0.92 3.86 -1.97 -0.84 115.15 116.78 3kfe h HIS 375 Ca -0.21 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.92 3kfe h HIS 375 Cb 1.92 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.38 3kfe h HIS 375 CO 0.16 0.00 -0.18 0.28 0.86 0.00 0.00 177.93 179.05 3kfe h VAL 376 N 0.00 1.32 -0.64 2.45 2.07 -1.96 -2.79 116.25 116.70 3kfe h VAL 376 Ca 0.00 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 3kfe h VAL 376 Cb 0.88 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3kfe h VAL 376 CO 0.00 0.41 0.23 0.40 0.02 0.00 0.00 177.57 178.63 3kfe h ILE 377 N 0.22 1.24 0.00 4.57 2.04 -1.29 -2.93 117.51 121.36 3kfe h ILE 377 Ca 0.04 -0.79 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3kfe h ILE 377 Cb 0.71 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3kfe h ILE 377 CO 0.05 0.31 -0.42 -0.08 0.00 0.00 0.00 178.15 178.00 3kfe h GLU 378 N 0.92 0.00 0.00 2.37 4.81 -1.11 -2.19 114.58 119.38 3kfe h GLU 378 Ca 0.21 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.27 3kfe h GLU 378 Cb 0.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3kfe h GLU 378 CO -0.01 0.42 -1.31 1.49 -0.73 0.00 0.00 179.01 178.87 3kfe h GLU 379 N 0.00 0.00 0.00 1.92 4.57 -1.53 -2.81 114.58 116.73 3kfe h GLU 379 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3kfe h GLU 379 Cb 0.81 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3kfe h GLU 379 CO 0.06 0.37 -0.20 0.28 -1.18 0.00 0.00 179.01 178.33 3kfe h VAL 380 N 0.00 1.12 -0.09 0.32 2.07 -1.31 -2.32 116.25 116.04 3kfe h VAL 380 Ca -0.15 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 3kfe h VAL 380 Cb 1.62 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3kfe h VAL 380 CO 0.06 0.20 -0.49 0.00 0.02 0.00 0.00 177.57 177.36 3kfe h ALA 381 N 1.80 0.18 0.00 1.67 0.00 -1.38 -1.58 119.26 119.95 3kfe h ALA 381 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3kfe h ALA 381 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kfe h ALA 381 CO 0.03 0.36 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 3kfe h ARG 382 N 0.08 0.00 -0.02 0.00 3.08 -1.34 -1.47 114.38 114.71 3kfe h ARG 382 Ca -0.03 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 3kfe h ARG 382 Cb 1.14 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.20 3kfe h ARG 382 CO 0.10 0.09 -0.81 0.00 -1.07 0.00 0.00 179.97 178.28 3kfe h ALA 383 N 1.91 0.12 -0.12 0.04 0.00 -1.18 -3.13 119.26 116.90 3kfe h ALA 383 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 3kfe h ALA 383 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kfe h ALA 383 CO 0.01 0.53 -0.11 0.28 0.00 0.00 0.00 179.25 179.96 3kfe h VAL 384 N 0.18 1.15 -0.03 0.00 2.07 -0.47 -2.22 116.25 116.93 3kfe h VAL 384 Ca -0.10 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3kfe h VAL 384 Cb 1.49 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kfe h VAL 384 CO 0.16 0.20 -0.42 0.44 0.02 0.00 0.00 177.57 177.97 3kfe h ASP 385 N 0.17 0.06 0.12 0.57 3.32 -1.28 -0.55 116.42 118.83 3kfe h ASP 385 Ca 0.04 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.81 3kfe h ASP 385 Cb 0.31 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 39.87 3kfe h ASP 385 CO 0.02 0.47 -1.06 0.44 -1.72 0.00 0.00 179.24 177.39 3kfe h ASP 386 N 0.05 0.72 0.41 6.45 3.32 -1.41 -2.68 116.42 123.28 3kfe h ASP 386 Ca 0.00 -0.86 -0.01 0.00 0.02 0.00 0.00 57.03 56.18 3kfe h ASP 386 Cb 0.77 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3kfe h ASP 386 CO 0.06 1.51 -0.37 0.00 -1.72 0.00 0.00 179.24 178.71 3kfe h ALA 387 N 0.22 -1.07 -0.00 3.45 0.00 -1.28 -2.10 119.26 118.47 3kfe h ALA 387 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kfe h ALA 387 Cb 1.78 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 3kfe h ALA 387 CO 0.20 -1.08 0.42 0.28 0.00 0.00 0.00 179.25 179.06 3kfe h VAL 388 N -0.77 0.00 0.00 0.00 2.07 -1.17 -0.03 116.25 116.35 3kfe h VAL 388 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kfe h VAL 388 Cb 0.66 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kfe h VAL 388 CO -0.03 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.75 3kfe h GLY 389 N 0.00 0.00 1.93 2.17 0.00 -1.09 -2.89 103.07 103.19 3kfe h GLY 389 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3kfe h GLY 389 CO -0.00 0.00 -0.29 -0.39 0.00 0.00 0.00 176.54 175.86 3kfe h VAL 390 N -1.00 1.23 0.20 4.60 -1.51 -0.66 0.27 116.25 119.39 3kfe h VAL 390 Ca -0.01 -1.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.36 3kfe h VAL 390 Cb 0.42 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3kfe h VAL 390 CO -0.00 0.32 -0.10 0.58 -1.23 0.00 0.00 177.57 177.14 3kfe h VAL 391 N 0.07 0.89 -0.76 7.19 2.07 -1.21 -2.24 116.25 122.26 3kfe h VAL 391 Ca 0.01 -0.72 0.19 0.00 0.82 0.00 0.00 66.70 67.00 3kfe h VAL 391 Cb 0.56 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3kfe h VAL 391 CO 0.04 0.16 0.52 1.23 0.02 0.00 0.00 177.57 179.54 3kfe h GLY 392 N -0.65 0.35 1.97 2.17 0.00 -1.24 -1.69 103.07 103.98 3kfe h GLY 392 Ca -0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3kfe h GLY 392 CO 0.05 0.01 -0.68 0.00 0.00 0.00 0.00 176.54 175.92 3kfe h THR 394 N 0.02 0.63 -0.95 0.00 2.02 -0.71 -0.61 112.91 113.32 3kfe h THR 394 Ca -0.01 -1.32 0.16 0.00 0.77 0.00 0.00 66.41 66.00 3kfe h THR 394 Cb 1.20 1.16 -0.16 0.00 -1.74 0.00 0.00 68.15 68.61 3kfe h THR 394 CO 0.09 0.20 -0.35 0.40 0.37 0.00 0.00 175.52 176.23 3kfe h ILE 395 N -0.98 0.03 0.50 3.11 2.04 -1.58 0.92 117.51 121.55 3kfe h ILE 395 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3kfe h ILE 395 Cb 0.41 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3kfe h ILE 395 CO 0.02 0.00 -0.24 -0.33 0.00 0.00 0.00 178.15 177.60 3kfe h GLU 396 N -0.02 -0.65 0.42 2.37 5.08 -1.37 -3.38 114.58 117.04 3kfe h GLU 396 Ca 0.36 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 3kfe h GLU 396 Cb 0.61 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3kfe h GLU 396 CO -0.96 -0.37 -0.20 -0.44 -1.00 0.00 0.00 179.01 176.04 3kfe h ASP 397 N -0.81 -0.48 0.00 1.42 3.45 -0.65 -3.49 116.42 115.86 3kfe h ASP 397 Ca -0.07 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.40 3kfe h ASP 397 Cb 0.57 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3kfe h ASP 397 CO 0.11 -0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.34 3kfe n GLY 398 N 0.34 3.01 3.66 2.75 0.00 0.32 -5.06 105.19 110.21 3kfe n GLY 398 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.98 2.48 0.16 1.61 0.52 -1.26 -0.13 118.95 121.35 3kfe s ARG 399 Ca 0.00 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.29 3kfe s ARG 399 Cb 0.00 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 3kfe s ARG 399 CO 0.00 0.54 0.20 0.96 0.02 0.00 0.00 175.30 177.02 3kfe s ILE 400 N -1.28 0.07 0.29 1.52 -4.36 -0.58 -2.54 121.20 114.32 3kfe s ILE 400 Ca 0.24 -1.63 0.04 0.00 -0.26 0.00 0.00 60.65 59.05 3kfe s ILE 400 Cb -0.12 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 3kfe s ILE 400 CO 0.17 -0.31 0.15 1.33 0.24 0.00 0.00 174.94 176.53 3kfe n VAL 401 N -0.19 0.00 -3.68 8.37 0.24 -0.21 -1.46 118.33 121.39 3kfe n VAL 401 Ca -0.05 -1.85 -0.37 0.00 -2.04 0.00 0.00 64.34 60.03 3kfe n VAL 401 Cb 0.63 0.77 -0.10 0.00 -1.47 0.00 0.00 33.84 33.67 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 -2.88 5.89 0.00 -1.34 1.04 -1.26 -1.12 113.70 114.04 3kfe s SER 402 Ca 0.22 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.67 3kfe s SER 402 Cb 0.01 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 64.06 3kfe s SER 402 CO 0.15 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.01 3kfe n GLY 403 N 4.57 -1.57 2.22 7.32 0.00 0.22 -3.03 105.19 114.93 3kfe n GLY 403 Ca -0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 2.61 0.40 1.74 -0.02 0.00 -1.26 -1.56 105.19 107.09 3kfe n GLY 404 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.11 0.55 0.09 -0.02 0.00 -1.26 -3.50 105.19 98.94 3kfe n GLY 405 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.20 0.00 1.61 0.87 -1.39 -2.91 113.55 111.53 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 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3kfe h SER 406 CO 0.00 -0.13 0.00 0.35 -0.53 0.00 0.00 176.83 176.52 3kfe n THR 407 N -2.67 0.00 -0.07 2.23 -2.24 -1.17 -1.19 114.28 109.17 3kfe n THR 407 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3kfe n THR 407 Cb 0.09 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.50 0.69 -0.04 -0.78 4.71 -1.14 -2.62 120.64 120.96 3kfe n GLU 408 Ca 0.00 0.18 -0.17 0.00 -0.01 0.00 0.00 57.16 57.16 3kfe n GLU 408 Cb 0.00 -1.61 -0.06 0.00 -1.01 0.00 0.00 31.44 28.76 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 0.02 1.28 0.16 2.62 2.07 -0.96 -0.77 116.25 120.66 3kfe h VAL 409 Ca -0.49 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 3kfe h VAL 409 Cb 2.01 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3kfe h VAL 409 CO 0.00 0.61 -0.10 -0.08 0.02 0.00 0.00 177.57 178.02 3kfe h GLU 410 N 0.58 -0.24 0.00 1.57 4.57 -1.59 -2.17 114.58 117.31 3kfe h GLU 410 Ca -0.03 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3kfe h GLU 410 Cb 1.33 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3kfe h GLU 410 CO 0.15 -0.16 0.41 1.25 -1.18 0.00 0.00 179.01 179.48 3kfe h LEU 411 N -0.25 0.00 0.06 1.64 5.85 -1.51 -0.34 115.31 120.75 3kfe h LEU 411 Ca -0.02 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.35 3kfe h LEU 411 Cb 0.20 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3kfe h LEU 411 CO 0.02 0.00 -2.03 -1.54 -0.34 0.00 0.00 178.44 174.54 3kfe n SER 412 N -2.44 1.52 0.01 1.25 3.41 -0.30 -2.93 113.62 114.15 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 0.44 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.62 -0.46 4.33 -0.00 -0.42 -1.91 114.93 117.12 3kfe h MET 413 Ca -0.42 -0.62 0.05 0.00 -0.00 0.00 0.00 59.70 58.71 3kfe h MET 413 Cb 2.03 0.16 -0.05 0.00 -0.00 0.00 0.00 31.60 33.75 3kfe h MET 413 CO 0.05 1.23 0.20 0.87 -0.00 0.00 0.00 176.91 179.26 3kfe h LYS 414 N 0.25 0.38 0.00 -0.10 1.79 -1.57 0.48 116.57 117.81 3kfe h LYS 414 Ca -0.09 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3kfe h LYS 414 Cb 1.49 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 32.05 3kfe h LYS 414 CO 0.16 0.25 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.70 3kfe h LEU 415 N 0.40 0.00 -0.11 2.94 3.38 -1.51 -1.69 115.31 118.71 3kfe h LEU 415 Ca 0.21 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.94 3kfe h LEU 415 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kfe h LEU 415 CO -0.18 0.02 -1.01 -0.09 0.09 0.00 0.00 178.44 177.27 3kfe h ARG 416 N 0.00 0.34 0.03 1.13 2.43 -0.08 -2.71 114.38 115.52 3kfe h ARG 416 Ca -0.00 -0.42 -0.19 0.00 -0.81 0.00 0.00 59.98 58.56 3kfe h ARG 416 Cb 0.06 0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3kfe h ARG 416 CO 0.00 1.11 -0.75 1.05 -1.51 0.00 0.00 179.97 179.87 3kfe h GLU 417 N 0.17 0.47 -0.21 0.20 4.11 -1.05 -2.78 114.58 115.48 3kfe h GLU 417 Ca -0.09 -0.54 0.06 0.00 0.07 0.00 0.00 59.36 58.87 3kfe h GLU 417 Cb 1.67 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 3kfe h GLU 417 CO 0.17 1.18 0.53 -0.92 0.07 0.00 0.00 179.01 180.04 3kfe h TYR 418 N -0.02 0.00 0.00 2.06 3.20 -1.34 0.89 116.97 121.76 3kfe h TYR 418 Ca -0.10 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.65 3kfe h TYR 418 Cb 1.47 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 3kfe h TYR 418 CO 0.14 0.00 -0.57 0.00 -1.64 0.00 0.00 178.16 176.09 3kfe h ALA 419 N 1.13 0.74 -0.01 1.82 0.00 -1.18 -3.15 119.26 118.61 3kfe h ALA 419 Ca 0.10 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 3kfe h ALA 419 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kfe h ALA 419 CO -0.00 0.71 -0.92 0.93 0.00 0.00 0.00 179.25 179.98 3kfe h GLU 420 N 0.00 0.38 -1.07 0.00 5.08 -0.85 -3.10 114.58 115.03 3kfe h GLU 420 Ca -0.01 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3kfe h GLU 420 Cb 1.28 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3kfe h GLU 420 CO 0.07 1.08 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 3kfe n GLY 421 N 0.91 0.98 3.03 -3.84 0.00 -1.19 -4.61 105.19 100.47 3kfe n GLY 421 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 1.60 -0.01 -0.61 1.01 -1.17 -5.10 121.20 116.74 3kfe s ILE 422 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 3kfe s ILE 422 Cb 0.00 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3kfe s ILE 422 CO 0.00 0.46 0.36 -0.94 0.00 0.00 0.00 174.94 174.83 3kfe s SER 423 N 1.42 6.73 0.00 3.58 1.04 -1.26 -4.70 113.70 120.51 3kfe s SER 423 Ca 0.04 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.34 3kfe s SER 423 Cb -0.13 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.77 3kfe s SER 423 CO -0.10 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.06 3kfe n GLY 424 N 1.76 1.08 0.33 7.32 0.00 -1.26 -4.69 105.19 109.74 3kfe n GLY 424 Ca -0.14 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 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 1.11 0.00 1.61 3.08 -1.99 -2.77 114.38 115.43 3kfe h ARG 425 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kfe h ARG 425 Cb 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.80 3kfe h ARG 425 CO 0.00 0.74 0.38 -0.85 -1.07 0.00 0.00 179.97 179.16 3kfe n GLU 426 N -4.50 0.03 -0.06 0.04 0.28 -1.26 0.13 120.64 115.30 3kfe n GLU 426 Ca 0.10 0.36 -0.11 0.00 -0.16 0.00 0.00 57.16 57.34 3kfe n GLU 426 Cb 0.04 -1.97 -0.05 0.00 1.43 0.00 0.00 31.44 30.88 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 0.30 -0.71 3.44 4.15 -1.77 -2.70 115.11 117.82 3kfe h GLN 427 Ca 0.00 -0.08 0.13 0.00 0.77 0.00 0.00 58.65 59.47 3kfe h GLN 427 Cb 0.75 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.31 3kfe h GLN 427 CO 0.00 0.46 0.25 -0.07 -1.93 0.00 0.00 178.83 177.54 3kfe h LEU 428 N 0.09 0.20 -0.08 -2.39 3.38 0.80 -0.72 115.31 116.59 3kfe h LEU 428 Ca 0.06 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3kfe h LEU 428 Cb 0.30 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3kfe h LEU 428 CO 0.00 0.08 -0.34 0.00 0.09 0.00 0.00 178.44 178.27 3kfe h ALA 429 N 1.53 -0.45 -0.70 1.53 0.00 -1.61 -1.06 119.26 118.49 3kfe h ALA 429 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3kfe h ALA 429 Cb 0.58 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3kfe h ALA 429 CO -0.40 -0.84 0.42 0.28 0.00 0.00 0.00 179.25 178.71 3kfe h VAL 430 N -0.44 1.20 -0.39 0.00 2.07 -0.85 0.18 116.25 118.01 3kfe h VAL 430 Ca 0.08 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 3kfe h VAL 430 Cb 0.57 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3kfe h VAL 430 CO -0.33 0.21 -0.04 0.03 0.02 0.00 0.00 177.57 177.46 3kfe h ARG 431 N 0.96 0.71 -0.94 1.57 3.08 -1.03 -1.41 114.38 117.32 3kfe h ARG 431 Ca 0.25 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3kfe h ARG 431 Cb -0.04 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.89 3kfe h ARG 431 CO -0.05 0.82 0.61 0.00 -1.07 0.00 0.00 179.97 180.29 3kfe h ALA 432 N 0.86 1.47 -0.24 0.04 0.00 0.16 0.38 119.26 121.93 3kfe h ALA 432 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kfe h ALA 432 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kfe h ALA 432 CO 0.03 0.38 -0.30 0.35 0.00 0.00 0.00 179.25 179.71 3kfe h PHE 433 N 1.08 0.55 -0.19 0.00 3.57 -0.48 0.12 116.94 121.60 3kfe h PHE 433 Ca 0.41 -0.13 -0.18 0.00 3.53 0.00 0.00 57.97 61.60 3kfe h PHE 433 Cb 0.19 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3kfe h PHE 433 CO -0.00 0.74 -0.57 0.00 -2.23 0.00 0.00 178.31 176.24 3kfe h ALA 434 N 1.26 0.33 -0.08 2.41 0.00 0.01 -3.07 119.26 120.11 3kfe h ALA 434 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3kfe h ALA 434 Cb 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kfe h ALA 434 CO 0.06 0.56 -0.36 -0.44 0.00 0.00 0.00 179.25 179.07 3kfe h ASP 435 N 0.44 0.16 -0.24 0.00 3.32 -0.20 -3.14 116.42 116.76 3kfe h ASP 435 Ca -0.02 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3kfe h ASP 435 Cb 1.19 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 3kfe h ASP 435 CO 0.12 0.52 -0.11 0.00 -1.72 0.00 0.00 179.24 178.05 3kfe h ALA 436 N 1.50 0.09 0.00 3.45 0.00 -0.87 -2.57 119.26 120.86 3kfe h ALA 436 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kfe h ALA 436 Cb 0.71 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kfe h ALA 436 CO 0.05 -0.52 0.00 -0.07 0.00 0.00 0.00 179.25 178.71 3kfe h LEU 437 N -0.07 0.00 0.00 0.00 3.38 -1.54 -1.33 115.31 115.75 3kfe h LEU 437 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kfe h LEU 437 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kfe h LEU 437 CO -0.28 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.63 3kfe n GLU 438 N -2.45 0.80 0.14 1.13 1.02 -0.97 -3.12 120.64 117.20 3kfe n GLU 438 Ca -0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 3kfe n GLU 438 Cb 0.06 -1.07 0.04 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.69 -0.04 2.62 3.04 -1.43 -2.43 116.25 118.70 3kfe h VAL 439 Ca 0.00 -1.99 -0.09 0.00 -1.01 0.00 0.00 66.70 63.61 3kfe h VAL 439 Cb 0.00 2.31 0.01 0.00 -2.01 0.00 0.00 31.29 31.60 3kfe h VAL 439 CO 0.00 0.39 -0.32 0.40 -1.01 0.00 0.00 177.57 177.03 3kfe h ILE 440 N 0.00 1.46 -0.69 3.17 1.08 -1.80 -0.29 117.51 120.45 3kfe h ILE 440 Ca -0.02 -1.82 -0.04 0.00 -0.39 0.00 0.00 64.86 62.59 3kfe h ILE 440 Cb 1.33 2.50 -0.03 0.00 -3.07 0.00 0.00 36.82 37.55 3kfe h ILE 440 CO 0.05 0.52 0.28 -0.65 -0.69 0.00 0.00 178.15 177.66 3kfe h PRO 441 N -0.27 1.01 0.35 2.37 0.11 -1.78 -2.17 132.00 131.61 3kfe h PRO 441 Ca -0.03 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 3kfe h PRO 441 Cb 1.01 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3kfe h PRO 441 CO 0.07 0.82 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.41 3kfe h ARG 442 N 0.99 -0.45 -0.00 1.05 2.43 -1.28 -2.31 114.38 114.81 3kfe h ARG 442 Ca 0.23 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3kfe h ARG 442 Cb 0.18 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3kfe h ARG 442 CO -0.02 -0.18 -0.46 1.79 -1.51 0.00 0.00 179.97 179.59 3kfe h THR 443 N -0.68 1.33 -0.78 0.20 1.35 -1.10 -1.94 112.91 111.29 3kfe h THR 443 Ca -0.05 -1.58 0.02 0.00 -0.55 0.00 0.00 66.41 64.25 3kfe h THR 443 Cb 0.48 1.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.70 3kfe h THR 443 CO 0.08 0.45 0.51 -0.07 -0.25 0.00 0.00 175.52 176.24 3kfe h LEU 444 N 0.01 0.87 -0.28 3.87 3.38 -1.20 -2.03 115.31 119.92 3kfe h LEU 444 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kfe h LEU 444 Cb 0.81 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3kfe h LEU 444 CO 0.06 0.62 0.06 0.00 0.09 0.00 0.00 178.44 179.26 3kfe h ALA 445 N 1.53 0.37 0.23 1.53 0.00 -0.83 -3.12 119.26 118.97 3kfe h ALA 445 Ca 0.29 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kfe h ALA 445 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3kfe h ALA 445 CO -0.07 0.04 -0.41 0.93 0.00 0.00 0.00 179.25 179.75 3kfe h GLU 446 N 0.29 -0.69 -0.35 0.00 5.08 -0.66 -1.88 114.58 116.37 3kfe h GLU 446 Ca 0.09 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kfe h GLU 446 Cb 0.31 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3kfe h GLU 446 CO 0.00 -0.46 0.20 -0.91 -1.00 0.00 0.00 179.01 176.85 3kfe h ASN 447 N -0.71 0.42 0.71 1.42 2.35 -1.56 0.64 115.58 118.84 3kfe h ASN 447 Ca 0.00 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3kfe h ASN 447 Cb 0.69 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3kfe h ASN 447 CO -0.17 0.33 -0.17 0.00 -1.65 0.00 0.00 177.43 175.77 3kfe h ALA 448 N 1.74 1.11 0.00 -0.83 0.00 -1.31 -3.44 119.26 116.52 3kfe h ALA 448 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kfe h ALA 448 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kfe h ALA 448 CO -0.02 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3kfe n GLY 449 N -0.18 0.63 3.73 0.00 0.00 0.22 -5.07 105.19 104.51 3kfe n GLY 449 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.78 -0.72 0.99 1.02 -0.86 -4.94 118.68 115.95 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 -3.31 0.04 0.00 0.02 0.00 0.00 46.19 42.94 3kfe s LEU 450 CO 0.00 -2.86 1.19 -0.62 0.02 0.00 0.00 176.35 174.08 3kfe s ASP 451 N -3.74 6.17 0.30 2.29 3.68 -1.26 -4.36 116.67 119.74 3kfe s ASP 451 Ca 0.65 -0.65 0.05 0.00 2.13 0.00 0.00 52.55 54.73 3kfe s ASP 451 Cb -0.17 -2.52 0.72 0.00 -1.45 0.00 0.00 42.92 39.51 3kfe s ASP 451 CO 0.55 -1.71 1.75 0.00 0.13 0.00 0.00 175.17 175.90 3kfe h ALA 452 N 9.88 1.57 -0.19 3.66 0.00 -1.87 -2.77 119.26 129.54 3kfe h ALA 452 Ca -0.27 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3kfe h ALA 452 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kfe h ALA 452 CO 1.25 -0.15 -0.24 0.82 0.00 0.00 0.00 179.25 180.93 3kfe h ILE 453 N 0.64 1.34 0.51 0.00 2.04 -1.95 -1.96 117.51 118.12 3kfe h ILE 453 Ca 0.56 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3kfe h ILE 453 Cb 0.94 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3kfe h ILE 453 CO -0.42 0.44 -0.24 -0.08 0.00 0.00 0.00 178.15 177.84 3kfe h GLU 454 N 0.15 -0.65 -1.26 2.37 4.57 -1.94 -2.83 114.58 114.99 3kfe h GLU 454 Ca 0.02 0.04 0.40 0.00 -1.18 0.00 0.00 59.36 58.65 3kfe h GLU 454 Cb 0.80 0.15 -0.12 0.00 -0.16 0.00 0.00 28.75 29.42 3kfe h GLU 454 CO 0.06 -0.44 0.81 0.82 -1.18 0.00 0.00 179.01 179.08 3kfe h ILE 455 N -0.75 0.20 -0.22 2.32 2.04 -1.56 1.76 117.51 121.30 3kfe h ILE 455 Ca -0.07 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 3kfe h ILE 455 Cb 0.52 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3kfe h ILE 455 CO 0.11 0.03 -0.33 0.25 0.00 0.00 0.00 178.15 178.21 3kfe h LEU 456 N 0.14 0.47 -0.17 1.44 5.85 -1.25 -1.98 115.31 119.83 3kfe h LEU 456 Ca 0.77 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 59.22 3kfe h LEU 456 Cb 2.36 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 43.26 3kfe h LEU 456 CO -0.39 0.78 -0.24 0.58 -0.34 0.00 0.00 178.44 178.82 3kfe h VAL 457 N 0.39 1.35 -0.01 1.05 2.07 0.29 -1.73 116.25 119.66 3kfe h VAL 457 Ca 0.05 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.13 3kfe h VAL 457 Cb 0.77 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 3kfe h VAL 457 CO 0.06 0.44 -0.18 0.11 0.02 0.00 0.00 177.57 178.02 3kfe h LYS 458 N 0.09 -0.28 0.00 1.57 1.57 -1.21 -0.99 116.57 117.33 3kfe h LYS 458 Ca 0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kfe h LYS 458 Cb 0.82 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3kfe h LYS 458 CO 0.06 -0.19 0.00 0.28 -0.57 0.00 0.00 179.45 179.03 3kfe h VAL 459 N -0.29 0.00 0.00 0.50 2.07 -1.39 -2.15 116.25 115.00 3kfe h VAL 459 Ca 0.06 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3kfe h VAL 459 Cb 0.37 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3kfe h VAL 459 CO -0.18 0.00 -1.07 -0.09 0.02 0.00 0.00 177.57 176.25 3kfe h ARG 460 N 0.00 0.00 0.05 1.57 2.43 -0.33 -3.33 114.38 114.77 3kfe h ARG 460 Ca 0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 3kfe h ARG 460 Cb 0.21 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3kfe h ARG 460 CO 0.00 0.19 -1.08 0.00 -1.51 0.00 0.00 179.97 177.57 3kfe h ALA 461 N 1.68 0.06 0.00 2.80 0.00 -0.66 -3.26 119.26 119.88 3kfe h ALA 461 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3kfe h ALA 461 Cb 1.31 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kfe h ALA 461 CO 0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3kfe n ALA 462 N -2.66 2.02 -0.50 0.00 0.00 -0.86 -1.98 120.51 116.53 3kfe n ALA 462 Ca -0.12 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.34 3kfe n ALA 462 Cb 0.90 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.63 0.05 -1.32 0.00 -0.00 -1.23 -0.75 115.22 111.33 3kfe n HIS 463 Ca 0.03 -0.73 -0.40 0.00 -0.00 0.00 0.00 57.72 56.62 3kfe n HIS 463 Cb 0.01 -0.10 -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 -0.87 4.64 0.00 -1.41 0.00 -0.84 -4.49 120.51 117.54 3kfe n ALA 464 Ca 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.14 3kfe n ALA 464 Cb 0.45 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 6.27 0.00 0.00 0.00 3.41 -1.26 -4.83 113.62 117.20 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 0.35 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.13 0.00 -3.29 4.04 6.94 -1.26 -5.04 115.26 116.78 3kfe n ASN 466 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.37 3kfe n ASN 466 Cb 0.00 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 37.55 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 4.45 -1.23 0.05 4.83 0.00 -1.26 -4.81 105.19 107.21 3kfe n GLY 467 Ca 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.52 2.22 0.00 1.61 3.02 0.07 -3.67 115.26 114.98 3kfe n ASN 468 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3kfe n ASN 468 Cb 0.38 0.92 0.00 0.00 -0.61 0.00 0.00 39.78 40.47 3kfe n ASN 468 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kfe n LYS 469 N -2.33 0.00 -0.04 3.52 2.85 -1.26 -4.50 118.16 116.40 3kfe n LYS 469 Ca -0.16 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.11 3kfe n LYS 469 Cb 0.77 -2.92 0.01 0.00 -0.65 0.00 0.00 35.03 32.24 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 -0.73 3.32 0.21 0.00 0.00 -1.26 0.02 121.76 123.32 3kfe s ALA 471 Ca 0.03 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 3kfe s ALA 471 Cb 0.03 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3kfe s ALA 471 CO 0.00 -1.90 0.14 0.20 0.00 0.00 0.00 175.76 174.21 3kfe s GLY 472 N 2.18 1.53 -0.26 0.00 0.00 -0.72 -4.67 107.32 105.38 3kfe s GLY 472 Ca 0.24 -1.74 -0.27 0.00 0.00 0.00 0.00 44.72 42.95 3kfe s GLY 472 CO 0.19 -1.41 0.96 -2.27 0.00 0.00 0.00 173.10 170.57 3kfe s LEU 473 N -3.18 4.06 -0.31 0.66 2.96 -1.23 -0.52 118.68 121.12 3kfe s LEU 473 Ca 0.39 1.16 -0.22 0.00 -0.22 0.00 0.00 54.13 55.24 3kfe s LEU 473 Cb 0.07 -3.40 -0.00 0.00 0.50 0.00 0.00 46.19 43.36 3kfe s LEU 473 CO 0.13 -0.66 0.71 0.21 -1.32 0.00 0.00 176.35 175.43 3kfe s ASN 474 N 1.36 6.57 0.00 3.68 3.84 -1.19 -4.81 114.94 124.39 3kfe s ASN 474 Ca 0.41 0.53 0.23 0.00 0.21 0.00 0.00 52.86 54.24 3kfe s ASN 474 Cb -0.14 -2.37 1.12 0.00 -0.55 0.00 0.00 41.25 39.31 3kfe s ASN 474 CO 0.09 -0.56 1.77 1.33 -2.79 0.00 0.00 177.10 176.94 3kfe n VAL 475 N 5.48 0.31 -0.07 -5.21 0.24 -1.26 -0.06 118.33 117.76 3kfe n VAL 475 Ca 0.01 0.08 -0.06 0.00 -2.04 0.00 0.00 64.34 62.34 3kfe n VAL 475 Cb 0.48 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.36 0.54 -0.29 6.34 3.72 -1.26 -4.40 117.46 120.75 3kfe n PHE 476 Ca 0.09 0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.65 3kfe n PHE 476 Cb 0.22 -0.63 -0.07 0.00 -0.94 0.00 0.00 39.48 38.06 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 -4.35 -0.47 0.00 4.37 -1.04 -1.21 -4.83 114.28 106.76 3kfe n THR 477 Ca -0.09 1.95 0.00 0.00 -2.04 0.00 0.00 64.05 63.87 3kfe n THR 477 Cb 0.32 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.40 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 -1.17 3.05 3.60 3.41 0.00 0.92 -5.07 105.19 109.93 3kfe n GLY 478 Ca 0.01 0.00 -0.24 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 -2.72 3.08 0.04 4.61 0.00 -1.25 -4.89 121.76 120.63 3kfe s ALA 479 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 3kfe s ALA 479 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 3kfe s ALA 479 CO 0.00 0.20 1.18 0.54 0.00 0.00 0.00 175.76 177.68 3kfe s VAL 480 N -2.43 4.14 0.07 0.00 0.11 -1.26 -3.15 120.40 117.88 3kfe s VAL 480 Ca 0.32 1.53 0.01 0.00 -2.93 0.00 0.00 61.98 60.91 3kfe s VAL 480 Cb -0.04 -3.98 -0.00 0.00 -1.53 0.00 0.00 36.38 30.83 3kfe s VAL 480 CO 0.19 0.10 0.03 -0.62 -3.33 0.00 0.00 175.10 171.46 3kfe n GLU 481 N 4.12 0.89 -3.34 1.54 1.02 0.32 -4.92 120.64 120.27 3kfe n GLU 481 Ca 0.09 -0.63 -0.45 0.00 -0.02 0.00 0.00 57.16 56.15 3kfe n GLU 481 Cb 0.47 0.34 -0.06 0.00 -0.02 0.00 0.00 31.44 32.16 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 -1.45 6.17 0.35 1.62 -1.08 -1.26 -1.75 116.67 119.26 3kfe s ASP 482 Ca 0.04 -1.57 0.05 0.00 -0.52 0.00 0.00 52.55 50.55 3kfe s ASP 482 Cb 0.00 -2.20 0.64 0.00 -1.46 0.00 0.00 42.92 39.90 3kfe s ASP 482 CO 0.03 -0.77 1.88 0.24 0.52 0.00 0.00 175.17 177.07 3kfe h MET 483 N 8.84 0.47 -0.21 4.34 2.86 -0.72 -1.72 114.93 128.80 3kfe h MET 483 Ca -0.29 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.21 3kfe h MET 483 Cb 1.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 3kfe h MET 483 CO 0.97 0.52 -0.05 0.00 1.06 0.00 0.00 176.91 179.41 3kfe h GLU 485 N 0.30 0.00 -0.01 0.00 5.08 -1.75 -3.24 114.58 114.96 3kfe h GLU 485 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kfe h GLU 485 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kfe h GLU 485 CO 0.01 0.57 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 3kfe n ASN 486 N -3.11 0.11 -0.86 1.42 4.13 -0.71 -4.90 115.26 111.34 3kfe n ASN 486 Ca -0.07 -1.23 -0.05 0.00 1.68 0.00 0.00 54.58 54.91 3kfe n ASN 486 Cb 0.91 -0.00 0.01 0.00 -1.54 0.00 0.00 39.78 39.16 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 0.92 0.38 3.23 7.41 0.00 -0.93 -5.01 105.19 111.19 3kfe n GLY 487 Ca 0.19 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.63 4.64 0.08 1.61 1.01 -0.30 -4.69 120.40 120.12 3kfe s VAL 488 Ca 0.06 -2.28 0.03 0.00 0.00 0.00 0.00 61.98 59.80 3kfe s VAL 488 Cb -0.03 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kfe s VAL 488 CO 0.08 -0.89 -0.10 0.68 0.00 0.00 0.00 175.10 174.87 3kfe s VAL 489 N 0.63 0.83 -0.07 2.92 -7.23 -1.26 -0.61 120.40 115.61 3kfe s VAL 489 Ca 0.12 -1.47 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 3kfe s VAL 489 Cb -0.20 -1.15 0.03 0.00 0.56 0.00 0.00 36.38 35.62 3kfe s VAL 489 CO -0.04 -0.50 0.18 -1.61 -0.31 0.00 0.00 175.10 172.82 3kfe s GLU 490 N -2.42 0.17 0.84 4.82 2.02 -0.27 -4.60 118.70 119.25 3kfe s GLU 490 Ca 0.01 0.33 -0.16 0.00 0.02 0.00 0.00 54.97 55.17 3kfe s GLU 490 Cb -0.05 -0.02 -0.06 0.00 0.10 0.00 0.00 34.13 34.10 3kfe s GLU 490 CO -0.00 -0.09 0.08 -2.30 0.02 0.00 0.00 175.26 172.97 3kfe n PRO 491 N 3.57 0.01 0.09 0.39 -0.02 -1.26 -1.05 135.00 136.73 3kfe n PRO 491 Ca -0.19 0.03 -0.04 0.00 -2.02 0.00 0.00 63.50 61.28 3kfe n PRO 491 Cb 0.56 -1.53 0.14 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.85 0.26 -2.23 2.45 5.85 -1.80 -2.97 115.31 116.01 3kfe h LEU 492 Ca -0.44 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.19 3kfe h LEU 492 Cb 1.33 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3kfe h LEU 492 CO 0.35 0.77 0.23 -0.09 -0.34 0.00 0.00 178.44 179.36 3kfe h ARG 493 N 0.18 0.00 -0.34 1.25 2.43 -1.87 -1.56 114.38 114.46 3kfe h ARG 493 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3kfe h ARG 493 Cb 1.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3kfe h ARG 493 CO 0.09 0.00 -0.02 0.28 -1.51 0.00 0.00 179.97 178.81 3kfe h VAL 494 N 0.00 1.26 0.00 0.20 2.07 -1.86 -2.00 116.25 115.93 3kfe h VAL 494 Ca 0.08 -1.01 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 3kfe h VAL 494 Cb 0.54 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3kfe h VAL 494 CO -0.00 0.33 -1.21 0.11 0.02 0.00 0.00 177.57 176.82 3kfe h LYS 495 N 0.41 0.00 0.19 1.57 1.79 -1.48 -2.62 116.57 116.43 3kfe h LYS 495 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3kfe h LYS 495 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3kfe h LYS 495 CO 0.02 0.38 -0.09 1.79 -1.08 0.00 0.00 179.45 180.47 3kfe h THR 496 N 0.00 0.46 -0.44 -0.16 1.35 -1.51 -1.89 112.91 110.72 3kfe h THR 496 Ca -0.13 -1.03 0.08 0.00 -0.55 0.00 0.00 66.41 64.78 3kfe h THR 496 Cb 1.57 0.79 -0.07 0.00 -1.73 0.00 0.00 68.15 68.72 3kfe h THR 496 CO 0.06 0.13 0.04 -0.61 -0.25 0.00 0.00 175.52 174.89 3kfe h GLN 497 N -0.99 0.16 -0.35 4.72 5.75 -1.51 -1.05 115.11 121.84 3kfe h GLN 497 Ca -0.03 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3kfe h GLN 497 Cb 0.41 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 3kfe h GLN 497 CO 0.04 0.10 0.17 0.00 -2.65 0.00 0.00 178.83 176.50 3kfe h ALA 498 N 1.37 0.44 -0.08 3.38 0.00 -1.55 -1.81 119.26 121.00 3kfe h ALA 498 Ca 0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3kfe h ALA 498 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kfe h ALA 498 CO -0.33 -0.00 -0.39 0.82 0.00 0.00 0.00 179.25 179.35 3kfe h ILE 499 N 0.42 1.30 0.22 0.00 2.04 -0.92 -1.96 117.51 118.60 3kfe h ILE 499 Ca 0.12 -1.44 -0.33 0.00 1.00 0.00 0.00 64.86 64.21 3kfe h ILE 499 Cb 0.10 1.67 0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3kfe h ILE 499 CO -0.02 0.43 -1.53 -0.61 0.00 0.00 0.00 178.15 176.42 3kfe h GLN 500 N 0.15 0.46 0.00 2.37 4.15 -1.04 -2.19 115.11 119.02 3kfe h GLN 500 Ca 0.02 -0.79 -0.06 0.00 0.77 0.00 0.00 58.65 58.59 3kfe h GLN 500 Cb 0.76 0.29 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 3kfe h GLN 500 CO 0.06 1.37 -0.28 0.66 -1.93 0.00 0.00 178.83 178.71 3kfe h SER 501 N 0.13 0.00 0.29 -0.69 4.64 -1.37 0.38 113.55 116.93 3kfe h SER 501 Ca -0.26 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.88 3kfe h SER 501 Cb 2.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.21 3kfe h SER 501 CO 0.24 0.28 -0.72 0.00 -0.87 0.00 0.00 176.83 175.76 3kfe h ALA 502 N 1.72 0.62 0.21 5.18 0.00 -1.41 -2.76 119.26 122.83 3kfe h ALA 502 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3kfe h ALA 502 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kfe h ALA 502 CO 0.04 0.77 -0.10 0.00 0.00 0.00 0.00 179.25 179.95 3kfe h ALA 503 N 0.97 -0.28 -0.56 0.00 0.00 -0.69 -3.03 119.26 115.67 3kfe h ALA 503 Ca -0.03 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3kfe h ALA 503 Cb 1.29 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3kfe h ALA 503 CO 0.12 -0.37 0.23 0.93 0.00 0.00 0.00 179.25 180.16 3kfe h GLU 504 N -0.86 0.42 -0.09 0.00 5.08 -0.36 -0.64 114.58 118.13 3kfe h GLU 504 Ca -0.03 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3kfe h GLU 504 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kfe h GLU 504 CO 0.05 0.28 -0.23 0.66 -1.00 0.00 0.00 179.01 178.76 3kfe h SER 505 N 0.43 0.36 0.31 1.42 4.64 -1.62 -2.76 113.55 116.33 3kfe h SER 505 Ca 0.27 -0.59 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 3kfe h SER 505 Cb 0.28 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3kfe h SER 505 CO -0.25 0.88 -0.18 0.71 -0.87 0.00 0.00 176.83 177.13 3kfe h THR 506 N -0.14 0.86 -0.18 2.95 1.35 -1.39 -0.84 112.91 115.52 3kfe h THR 506 Ca -0.00 -0.68 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3kfe h THR 506 Cb 0.84 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3kfe h THR 506 CO 0.05 0.17 0.11 -0.33 -0.25 0.00 0.00 175.52 175.27 3kfe h GLU 507 N 0.00 0.25 -0.05 4.72 5.08 -1.05 -2.10 114.58 121.43 3kfe h GLU 507 Ca -0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3kfe h GLU 507 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3kfe h GLU 507 CO 0.02 0.23 -0.37 0.00 -1.00 0.00 0.00 179.01 177.89 3kfe h MET 508 N 0.21 0.11 -0.45 2.33 -0.00 -0.90 -2.81 114.93 113.42 3kfe h MET 508 Ca 0.07 -0.04 -0.12 0.00 -0.00 0.00 0.00 59.70 59.60 3kfe h MET 508 Cb 0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 3kfe h MET 508 CO -0.01 0.47 -0.21 -0.07 -0.00 0.00 0.00 176.91 177.09 3kfe h LEU 509 N 0.09 0.92 -1.40 -0.10 3.38 -0.84 -2.86 115.31 114.51 3kfe h LEU 509 Ca 0.01 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3kfe h LEU 509 Cb 0.70 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kfe h LEU 509 CO 0.05 1.10 -0.12 -0.07 0.09 0.00 0.00 178.44 179.49 3kfe h LEU 510 N 0.79 0.00 0.00 1.67 3.38 -1.13 -1.98 115.31 118.04 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 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3kfe h LEU 510 CO 0.06 0.12 0.00 0.54 0.09 0.00 0.00 178.44 179.25 3kfe n ARG 511 N -3.30 0.03 -3.19 1.13 1.74 -1.08 -4.77 116.66 107.22 3kfe n ARG 511 Ca -0.00 0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.83 3kfe n ARG 511 Cb 0.35 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 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 -2.96 5.11 0.00 0.55 1.01 -0.75 -4.93 121.20 119.23 3kfe s ILE 512 Ca 0.11 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.95 3kfe s ILE 512 Cb 0.14 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3kfe s ILE 512 CO 0.37 0.30 0.00 -0.90 0.00 0.00 0.00 174.94 174.71 3kfe n ASP 513 N 3.65 1.16 -4.03 3.58 5.75 -1.26 -4.47 116.55 120.93 3kfe n ASP 513 Ca -0.04 -0.17 -0.18 0.00 -0.01 0.00 0.00 54.79 54.38 3kfe n ASP 513 Cb 0.51 0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 41.04 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 -0.81 1.08 0.09 -1.12 -1.08 -1.26 -0.89 116.67 112.67 3kfe s ASP 514 Ca 0.00 -0.19 0.07 0.00 -0.52 0.00 0.00 52.55 51.91 3kfe s ASP 514 Cb 0.00 -0.11 -0.03 0.00 -1.46 0.00 0.00 42.92 41.32 3kfe s ASP 514 CO 0.00 0.09 -0.19 -0.69 0.52 0.00 0.00 175.17 174.91 3kfe s VAL 515 N -0.29 1.53 -0.48 1.11 1.01 -1.14 -5.00 120.40 117.13 3kfe s VAL 515 Ca 0.03 -1.47 0.04 0.00 0.00 0.00 0.00 61.98 60.58 3kfe s VAL 515 Cb -0.04 -1.41 0.16 0.00 0.00 0.00 0.00 36.38 35.09 3kfe s VAL 515 CO -0.00 -0.11 0.35 -0.63 0.00 0.00 0.00 175.10 174.71 3kfe s ILE 516 N -1.19 1.12 -0.10 2.22 1.01 -1.26 -2.99 121.20 120.01 3kfe s ILE 516 Ca 0.04 -2.94 -0.17 0.00 0.00 0.00 0.00 60.65 57.57 3kfe s ILE 516 Cb -0.10 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3kfe s ILE 516 CO 0.04 -1.10 0.45 0.00 0.00 0.00 0.00 174.94 174.32 3kfe s ALA 517 N -0.17 3.53 0.51 9.38 0.00 -0.35 -4.99 121.76 129.68 3kfe s ALA 517 Ca 0.27 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.07 3kfe s ALA 517 Cb -0.05 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.51 3kfe s ALA 517 CO -0.14 0.11 0.34 0.00 0.00 0.00 0.00 175.76 176.07 3kfe s ALA 518 N 0.26 4.26 0.00 0.00 0.00 -1.26 -2.11 121.76 122.91 3kfe s ALA 518 Ca 0.24 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3kfe s ALA 518 Cb -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3kfe s ALA 518 CO 0.10 -0.35 0.00 -1.91 0.00 0.00 0.00 175.76 173.60