#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fur h ASN 2 N 0.00 0.27 -3.08 6.12 2.35 -2.02 -3.45 115.58 115.77 1fur h ASN 2 Ca 0.00 -0.30 -0.54 0.00 -0.55 0.00 0.00 56.30 54.91 1fur h ASN 2 Cb 0.00 -0.09 0.08 0.00 0.05 0.00 0.00 38.32 38.36 1fur h ASN 2 CO 0.00 1.24 0.85 0.41 -1.65 0.00 0.00 177.43 178.28 1fur n THR 3 N -3.45 0.86 -3.75 2.81 -1.04 -1.26 -4.90 114.28 103.55 1fur n THR 3 Ca -0.07 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.51 1fur n THR 3 Cb 1.00 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 67.59 1fur n THR 3 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1fur s VAL 4 N 0.15 2.55 -0.02 12.58 -7.23 -1.26 -0.79 120.40 126.38 1fur s VAL 4 Ca 0.66 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.41 1fur s VAL 4 Cb -0.53 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 33.41 1fur s VAL 4 CO 0.47 -0.00 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.54 1fur s ARG 5 N -4.06 1.02 -0.33 4.82 3.52 0.17 -4.55 118.95 119.54 1fur s ARG 5 Ca 0.46 -0.38 -0.18 0.00 -0.13 0.00 0.00 55.73 55.49 1fur s ARG 5 Cb -0.01 -0.96 -0.01 0.00 -1.56 0.00 0.00 34.95 32.42 1fur s ARG 5 CO 0.26 0.19 0.53 0.45 -0.81 0.00 0.00 175.30 175.92 1fur s SER 6 N -0.05 6.36 0.27 -2.12 0.15 -1.26 -0.06 113.70 116.99 1fur s SER 6 Ca 0.01 0.14 0.10 0.00 0.70 0.00 0.00 55.95 56.89 1fur s SER 6 Cb -0.07 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1fur s SER 6 CO 0.00 -0.44 -0.06 -1.61 1.20 0.00 0.00 173.24 172.33 1fur s GLU 7 N 2.41 2.11 0.08 5.44 0.41 -0.43 -4.54 118.70 124.18 1fur s GLU 7 Ca 0.20 -1.52 -0.09 0.00 -0.41 0.00 0.00 54.97 53.15 1fur s GLU 7 Cb -0.15 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1fur s GLU 7 CO 0.12 0.36 0.20 -1.59 -0.49 0.00 0.00 175.26 173.86 1fur s LYS 8 N -3.62 0.82 0.00 1.61 -2.85 -1.26 -0.11 119.74 114.33 1fur s LYS 8 Ca 0.31 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 1fur s LYS 8 Cb -0.06 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1fur s LYS 8 CO 0.18 -0.26 0.00 -0.40 0.10 0.00 0.00 175.35 174.98 1fur n ASP 9 N 0.07 0.14 0.22 0.03 5.68 0.04 -4.73 116.55 117.99 1fur n ASP 9 Ca -0.16 -0.65 0.17 0.00 -0.50 0.00 0.00 54.79 53.65 1fur n ASP 9 Cb 0.62 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.45 1fur n ASP 9 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1fur h SER 10 N 0.00 0.00 0.43 -1.12 0.02 -2.02 -0.17 113.55 110.68 1fur h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fur h SER 10 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1fur h SER 10 CO 0.00 0.00 -0.51 0.80 -1.14 0.00 0.00 176.83 175.98 1fur n MET 11 N -3.76 0.11 0.00 3.45 0.00 -1.26 -5.07 117.12 110.59 1fur n MET 11 Ca 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.64 1fur n MET 11 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.02 1fur n MET 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1fur n GLY 12 N 1.48 0.54 3.88 -5.12 0.00 -0.08 -5.08 105.19 100.82 1fur n GLY 12 Ca 0.06 -2.19 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 1fur n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fur s ALA 13 N -1.72 3.79 -0.07 4.61 0.00 -1.26 -0.78 121.76 126.33 1fur s ALA 13 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 1fur s ALA 13 Cb 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 21.00 1fur s ALA 13 CO 0.00 0.64 0.33 -1.50 0.00 0.00 0.00 175.76 175.23 1fur s ILE 14 N -1.46 0.03 0.10 0.00 2.07 0.84 -4.98 121.20 117.80 1fur s ILE 14 Ca 0.34 -0.25 -0.30 0.00 -1.41 0.00 0.00 60.65 59.04 1fur s ILE 14 Cb -0.13 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 1fur s ILE 14 CO 0.20 -0.13 0.99 -1.81 -1.91 0.00 0.00 174.94 172.28 1fur s ASP 15 N -0.61 7.43 -0.02 4.50 1.01 -1.26 -1.32 116.67 126.41 1fur s ASP 15 Ca -0.07 1.81 0.06 0.00 0.71 0.00 0.00 52.55 55.06 1fur s ASP 15 Cb -0.04 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1fur s ASP 15 CO 0.03 -0.14 -0.20 -0.69 0.21 0.00 0.00 175.17 174.38 1fur s VAL 16 N 0.20 1.58 0.18 -1.27 1.01 0.92 -4.91 120.40 118.11 1fur s VAL 16 Ca 0.49 -0.85 -0.33 0.00 0.00 0.00 0.00 61.98 61.29 1fur s VAL 16 Cb -0.24 -1.32 -0.13 0.00 0.00 0.00 0.00 36.38 34.69 1fur s VAL 16 CO 0.30 0.45 1.61 -0.81 0.00 0.00 0.00 175.10 176.64 1fur n PRO 17 N 2.68 2.32 -0.02 2.72 -0.04 -1.26 0.43 135.00 141.82 1fur n PRO 17 Ca -0.16 0.84 0.22 0.00 -0.04 0.00 0.00 63.50 64.36 1fur n PRO 17 Cb 0.53 -2.62 0.71 0.00 -0.04 0.00 0.00 33.50 32.08 1fur n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fur h ALA 18 N 6.00 2.52 -0.18 0.55 0.00 -1.20 -1.51 119.26 125.44 1fur h ALA 18 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1fur h ALA 18 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1fur h ALA 18 CO 0.90 -0.74 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 1fur n ASP 19 N -4.28 1.14 -4.67 0.00 5.75 -1.26 -4.87 116.55 108.35 1fur n ASP 19 Ca 0.11 -1.84 -0.28 0.00 -0.01 0.00 0.00 54.79 52.77 1fur n ASP 19 Cb 0.67 -0.12 -0.08 0.00 -1.03 0.00 0.00 41.12 40.57 1fur n ASP 19 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1fur s LYS 20 N -1.77 2.46 0.00 0.11 -0.14 -0.57 -5.04 119.74 114.80 1fur s LYS 20 Ca 0.21 -1.00 0.24 0.00 -1.36 0.00 0.00 55.97 54.06 1fur s LYS 20 Cb 0.11 -2.43 0.23 0.00 -1.68 0.00 0.00 37.83 34.06 1fur s LYS 20 CO 0.16 0.49 1.22 1.28 -0.76 0.00 0.00 175.35 177.74 1fur n LEU 21 N 0.14 0.93 -4.79 3.17 4.77 -1.26 -4.93 117.00 115.03 1fur n LEU 21 Ca -0.10 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.29 1fur n LEU 21 Cb 0.54 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.68 1fur n LEU 21 CO 0.39 0.21 0.74 -1.66 -1.33 0.00 0.00 177.39 175.73 1fur s TRP 22 N -2.87 1.89 0.00 -1.77 -2.14 -1.26 -3.74 118.94 109.05 1fur s TRP 22 Ca 0.13 0.64 0.00 0.00 2.66 0.00 0.00 56.10 59.53 1fur s TRP 22 Cb 0.17 -3.58 0.00 0.00 -3.10 0.00 0.00 33.47 26.96 1fur s TRP 22 CO 0.72 -2.72 0.00 0.41 -2.66 0.00 0.00 176.95 172.69 1fur n GLY 23 N -2.37 7.32 0.18 3.67 0.00 -1.26 -4.90 105.19 107.82 1fur n GLY 23 Ca 0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 1fur n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fur h ALA 24 N 1.00 0.50 -0.32 4.61 0.00 -1.86 -2.56 119.26 120.63 1fur h ALA 24 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1fur h ALA 24 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1fur h ALA 24 CO 0.00 -0.27 -0.16 1.96 0.00 0.00 0.00 179.25 180.79 1fur h GLN 25 N 0.28 0.57 -0.30 0.00 4.20 -1.96 -1.78 115.11 116.12 1fur h GLN 25 Ca 0.20 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1fur h GLN 25 Cb 0.22 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1fur h GLN 25 CO -0.23 0.71 -0.40 1.15 -0.67 0.00 0.00 178.83 179.39 1fur h THR 26 N 0.52 1.29 -0.37 -0.54 2.02 -1.86 -2.08 112.91 111.89 1fur h THR 26 Ca 0.09 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 1fur h THR 26 Cb 0.57 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1fur h THR 26 CO 0.04 0.51 0.06 -0.61 0.37 0.00 0.00 175.52 175.89 1fur h GLN 27 N 0.59 0.61 -0.29 6.66 5.75 -1.25 -0.04 115.11 127.14 1fur h GLN 27 Ca 0.05 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1fur h GLN 27 Cb 0.94 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1fur h GLN 27 CO 0.09 0.67 0.18 0.00 -2.65 0.00 0.00 178.83 177.11 1fur h ARG 28 N 0.45 0.39 -0.49 1.69 3.08 -1.26 -1.71 114.38 116.53 1fur h ARG 28 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1fur h ARG 28 Cb 0.35 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1fur h ARG 28 CO 0.01 0.29 0.31 1.03 -1.07 0.00 0.00 179.97 180.54 1fur h SER 29 N 0.37 0.57 -0.86 7.04 0.87 -1.26 -0.76 113.55 119.51 1fur h SER 29 Ca 0.10 -0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1fur h SER 29 Cb 0.00 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 61.75 1fur h SER 29 CO -0.02 0.42 0.52 0.25 -0.53 0.00 0.00 176.83 177.47 1fur h LEU 30 N 0.66 0.77 0.00 2.23 5.85 -0.75 0.26 115.31 124.32 1fur h LEU 30 Ca 0.18 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1fur h LEU 30 Cb -0.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1fur h LEU 30 CO -0.04 0.45 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.14 1fur h GLU 31 N 0.88 0.00 0.00 1.25 5.08 -0.87 -3.34 114.58 117.58 1fur h GLU 31 Ca 0.41 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 1fur h GLU 31 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1fur h GLU 31 CO -0.23 0.02 -1.79 0.72 -1.00 0.00 0.00 179.01 176.73 1fur n HIS 32 N -3.10 0.35 -3.03 4.33 8.25 -0.33 -4.62 115.22 117.08 1fur n HIS 32 Ca 0.04 0.11 -0.27 0.00 -0.26 0.00 0.00 57.72 57.34 1fur n HIS 32 Cb 0.54 -0.78 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 1fur n HIS 32 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1fur n PHE 33 N -2.54 3.99 -2.36 4.41 3.01 -0.00 -4.94 117.46 119.04 1fur n PHE 33 Ca -0.10 -4.03 -0.43 0.00 1.01 0.00 0.00 57.45 53.91 1fur n PHE 33 Cb 0.72 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1fur n PHE 33 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fur n ARG 34 N -0.05 3.44 -4.09 -1.08 1.74 -1.26 -4.62 116.66 110.74 1fur n ARG 34 Ca 0.31 -3.42 -0.33 0.00 -0.77 0.00 0.00 57.85 53.64 1fur n ARG 34 Cb 0.39 -3.03 -0.15 0.00 -1.02 0.00 0.00 32.46 28.65 1fur n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fur s ILE 35 N 1.23 2.17 0.00 0.55 1.01 -1.26 -5.06 121.20 119.83 1fur s ILE 35 Ca 0.42 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1fur s ILE 35 Cb 0.08 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1fur s ILE 35 CO -0.01 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 174.99 1fur n SER 36 N 4.55 -0.51 0.00 3.58 2.88 -1.26 -4.52 113.62 118.34 1fur n SER 36 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1fur n SER 36 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1fur n SER 36 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1fur n THR 37 N 0.00 0.00 -2.54 2.46 -2.24 -1.26 -5.05 114.28 105.65 1fur n THR 37 Ca 0.00 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1fur n THR 37 Cb 0.00 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1fur n THR 37 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fur s GLU 38 N -0.22 4.44 0.41 -0.78 8.01 -1.26 -5.02 118.70 124.28 1fur s GLU 38 Ca 0.00 1.61 0.05 0.00 0.01 0.00 0.00 54.97 56.64 1fur s GLU 38 Cb 0.00 -3.46 -0.07 0.00 -4.31 0.00 0.00 34.13 26.30 1fur s GLU 38 CO 0.00 -0.27 0.02 0.15 0.01 0.00 0.00 175.26 175.17 1fur s LYS 39 N 1.49 1.95 0.32 1.61 -0.14 -1.26 -1.33 119.74 122.37 1fur s LYS 39 Ca 0.55 -2.13 -0.29 0.00 -1.36 0.00 0.00 55.97 52.74 1fur s LYS 39 Cb -0.25 -1.47 -0.12 0.00 -1.68 0.00 0.00 37.83 34.31 1fur s LYS 39 CO 0.25 -0.13 1.42 -1.33 -0.76 0.00 0.00 175.35 174.80 1fur n MET 40 N -0.97 2.35 -2.27 1.68 2.81 -1.22 -4.70 117.12 114.80 1fur n MET 40 Ca -0.07 0.83 -0.36 0.00 -1.81 0.00 0.00 57.70 56.29 1fur n MET 40 Cb 0.67 -2.50 -0.00 0.00 -0.71 0.00 0.00 33.22 30.67 1fur n MET 40 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1fur s PRO 41 N -1.35 3.50 0.32 0.03 0.02 -1.26 -4.86 135.00 131.39 1fur s PRO 41 Ca 0.59 1.65 0.06 0.00 0.02 0.00 0.00 61.00 63.33 1fur s PRO 41 Cb -0.55 -2.13 0.74 0.00 0.02 0.00 0.00 34.50 32.57 1fur s PRO 41 CO 0.57 -0.74 1.83 1.15 -0.33 0.00 0.00 177.00 179.48 1fur h THR 42 N 1.42 0.81 -0.44 0.99 2.02 -1.99 0.17 112.91 115.89 1fur h THR 42 Ca -0.50 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1fur h THR 42 Cb 1.26 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1fur h THR 42 CO 0.58 0.14 0.13 0.77 0.37 0.00 0.00 175.52 177.51 1fur h SER 43 N 0.79 0.59 -0.09 4.18 4.64 -1.99 -0.36 113.55 121.30 1fur h SER 43 Ca 0.50 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.52 1fur h SER 43 Cb 0.74 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1fur h SER 43 CO -0.27 0.57 -0.82 0.25 -0.87 0.00 0.00 176.83 175.69 1fur h LEU 44 N 0.63 0.90 -0.42 5.97 7.12 -1.37 -1.71 115.31 126.43 1fur h LEU 44 Ca 0.15 -0.61 0.01 0.00 0.13 0.00 0.00 57.88 57.56 1fur h LEU 44 Cb 0.20 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.04 1fur h LEU 44 CO -0.01 1.41 0.27 0.40 -0.13 0.00 0.00 178.44 180.38 1fur h ILE 45 N 0.50 1.09 -0.57 4.05 1.08 -0.77 -0.59 117.51 122.30 1fur h ILE 45 Ca -0.06 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 64.15 1fur h ILE 45 Cb 1.44 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1fur h ILE 45 CO 0.16 0.10 0.08 0.45 -0.69 0.00 0.00 178.15 178.25 1fur h HIS 46 N 0.56 0.97 -0.62 1.37 3.86 -1.04 -1.63 115.15 118.62 1fur h HIS 46 Ca 0.16 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1fur h HIS 46 Cb -0.04 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 1fur h HIS 46 CO -0.05 0.83 0.16 0.00 0.86 0.00 0.00 177.93 179.73 1fur h ALA 47 N 1.22 1.11 -0.43 2.45 0.00 -0.79 -0.56 119.26 122.24 1fur h ALA 47 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 47 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fur h ALA 47 CO 0.01 0.60 0.13 -0.07 0.00 0.00 0.00 179.25 179.92 1fur h LEU 48 N 0.93 0.64 -0.45 0.00 3.38 -0.68 -1.02 115.31 118.11 1fur h LEU 48 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fur h LEU 48 Cb 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1fur h LEU 48 CO -0.00 0.69 0.29 0.00 0.09 0.00 0.00 178.44 179.50 1fur h ALA 49 N 0.98 0.57 -0.78 1.53 0.00 -0.93 -0.91 119.26 119.72 1fur h ALA 49 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1fur h ALA 49 Cb 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1fur h ALA 49 CO -0.00 0.04 0.50 -0.07 0.00 0.00 0.00 179.25 179.72 1fur h LEU 50 N 0.61 0.82 -0.54 0.00 3.38 -0.90 0.15 115.31 118.82 1fur h LEU 50 Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1fur h LEU 50 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1fur h LEU 50 CO -0.03 0.56 0.31 0.74 0.09 0.00 0.00 178.44 180.10 1fur h THR 51 N 0.96 1.18 -0.39 0.22 2.02 -0.68 -0.48 112.91 115.74 1fur h THR 51 Ca 0.32 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1fur h THR 51 Cb 0.02 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1fur h THR 51 CO -0.12 0.19 -0.22 0.11 0.37 0.00 0.00 175.52 175.85 1fur h LYS 52 N 0.73 0.76 -0.76 6.66 1.79 -0.53 -0.73 116.57 124.49 1fur h LYS 52 Ca 0.19 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.31 1fur h LYS 52 Cb 0.03 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1fur h LYS 52 CO -0.03 0.92 0.30 -0.09 -1.08 0.00 0.00 179.45 179.46 1fur h ARG 53 N 0.67 1.14 -0.18 3.15 2.43 -0.32 -1.26 114.38 120.01 1fur h ARG 53 Ca 0.09 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 1fur h ARG 53 Cb 0.73 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1fur h ARG 53 CO 0.06 0.93 -0.46 0.00 -1.51 0.00 0.00 179.97 178.99 1fur h ALA 54 N 1.15 0.29 -0.98 2.80 0.00 -0.88 -2.74 119.26 118.90 1fur h ALA 54 Ca 0.25 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1fur h ALA 54 Cb 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1fur h ALA 54 CO -0.02 0.44 0.65 0.00 0.00 0.00 0.00 179.25 180.32 1fur h ALA 55 N 0.57 1.27 0.02 0.00 0.00 -0.95 -1.98 119.26 118.20 1fur h ALA 55 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fur h ALA 55 Cb 1.08 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fur h ALA 55 CO 0.10 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 1fur h ALA 56 N 1.38 -0.03 -0.45 0.00 0.00 -1.24 -0.67 119.26 118.25 1fur h ALA 56 Ca 0.37 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1fur h ALA 56 Cb -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1fur h ALA 56 CO -0.10 -0.42 0.13 -0.22 0.00 0.00 0.00 179.25 178.63 1fur h LYS 57 N -0.22 0.27 -0.52 0.00 1.63 -1.24 -0.58 116.57 115.91 1fur h LYS 57 Ca -0.00 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 1fur h LYS 57 Cb 0.21 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1fur h LYS 57 CO 0.01 0.18 -0.04 0.28 -3.45 0.00 0.00 179.45 176.43 1fur h VAL 58 N 0.28 1.27 -0.47 2.00 2.07 -1.33 -0.30 116.25 119.77 1fur h VAL 58 Ca 0.22 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1fur h VAL 58 Cb 0.24 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1fur h VAL 58 CO -0.25 0.41 0.27 0.78 0.02 0.00 0.00 177.57 178.80 1fur h ASN 59 N 0.81 0.55 0.10 0.57 -0.26 -0.65 0.17 115.58 116.88 1fur h ASN 59 Ca 0.14 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1fur h ASN 59 Cb 0.58 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1fur h ASN 59 CO 0.03 0.43 -0.05 -0.08 -1.06 0.00 0.00 177.43 176.70 1fur h GLU 60 N 0.64 -0.14 -0.62 0.81 4.81 -0.71 0.64 114.58 120.01 1fur h GLU 60 Ca 0.17 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.54 1fur h GLU 60 Cb -0.02 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1fur h GLU 60 CO -0.03 0.25 0.43 -0.44 -0.73 0.00 0.00 179.01 178.49 1fur h ASP 61 N -0.55 0.24 -0.13 1.04 3.32 -0.11 0.20 116.42 120.44 1fur h ASP 61 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fur h ASP 61 Cb 0.45 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1fur h ASP 61 CO 0.02 0.13 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 1fur n LEU 62 N -4.44 1.78 -0.47 1.55 4.77 0.52 -4.93 117.00 115.77 1fur n LEU 62 Ca 0.11 -0.69 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 1fur n LEU 62 Cb 0.51 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1fur n LEU 62 CO 0.35 0.35 -0.06 0.61 -1.33 0.00 0.00 177.39 177.30 1fur n GLY 63 N 1.18 0.84 0.07 -0.72 0.00 0.72 -4.92 105.19 102.36 1fur n GLY 63 Ca 0.17 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1fur n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fur h LEU 64 N 0.00 0.00 -8.62 0.99 3.38 0.09 -3.46 115.31 107.68 1fur h LEU 64 Ca -0.13 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.28 1fur h LEU 64 Cb 0.47 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.99 1fur h LEU 64 CO 0.18 0.98 -0.83 -0.76 0.09 0.00 0.00 178.44 178.10 1fur s LEU 65 N -6.47 2.25 0.57 1.67 1.43 -0.94 -4.97 118.68 112.22 1fur s LEU 65 Ca -0.01 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.28 1fur s LEU 65 Cb 0.09 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 1fur s LEU 65 CO 0.82 0.09 1.16 -0.94 0.23 0.00 0.00 176.35 177.71 1fur s SER 66 N -1.64 5.45 0.23 2.29 1.04 -1.26 -4.39 113.70 115.42 1fur s SER 66 Ca 0.07 2.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.70 1fur s SER 66 Cb -0.10 -2.59 0.33 0.00 0.10 0.00 0.00 66.02 63.77 1fur s SER 66 CO 0.03 -1.41 1.82 -0.08 0.98 0.00 0.00 173.24 174.59 1fur h GLU 67 N 1.00 0.80 -0.40 4.02 4.22 -1.98 0.70 114.58 122.93 1fur h GLU 67 Ca -0.50 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 58.81 1fur h GLU 67 Cb 1.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1fur h GLU 67 CO 0.56 0.53 -0.05 0.93 -2.18 0.00 0.00 179.01 178.80 1fur h GLU 68 N 0.82 0.74 -0.33 1.92 5.08 -1.99 -0.20 114.58 120.62 1fur h GLU 68 Ca 0.36 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1fur h GLU 68 Cb 0.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1fur h GLU 68 CO -0.20 0.86 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.44 1fur h LYS 69 N 0.56 0.59 -0.63 2.33 1.63 -1.85 -2.09 116.57 117.12 1fur h LYS 69 Ca 0.11 -0.19 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1fur h LYS 69 Cb 0.55 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1fur h LYS 69 CO 0.03 0.72 0.25 0.00 -3.45 0.00 0.00 179.45 177.00 1fur h ALA 70 N 0.85 0.82 -0.14 5.00 0.00 -0.77 -1.76 119.26 123.26 1fur h ALA 70 Ca 0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1fur h ALA 70 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1fur h ALA 70 CO 0.02 0.43 -0.44 0.66 0.00 0.00 0.00 179.25 179.92 1fur h SER 71 N 0.88 0.36 -0.25 0.00 4.64 -0.98 -1.81 113.55 116.40 1fur h SER 71 Ca 0.21 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1fur h SER 71 Cb 0.21 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1fur h SER 71 CO -0.02 0.76 -0.04 0.00 -0.87 0.00 0.00 176.83 176.67 1fur h ALA 72 N 1.25 0.34 -0.68 5.18 0.00 -1.10 -0.97 119.26 123.29 1fur h ALA 72 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1fur h ALA 72 Cb 0.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1fur h ALA 72 CO 0.07 0.12 0.36 0.82 0.00 0.00 0.00 179.25 180.62 1fur h ILE 73 N 0.22 1.22 -0.89 0.00 2.04 -1.27 -0.99 117.51 117.84 1fur h ILE 73 Ca 0.07 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1fur h ILE 73 Cb 0.49 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1fur h ILE 73 CO 0.02 0.24 0.56 -0.09 0.00 0.00 0.00 178.15 178.88 1fur h ARG 74 N 0.93 1.19 -0.46 2.37 2.43 -1.19 -1.06 114.38 118.60 1fur h ARG 74 Ca 0.24 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 1fur h ARG 74 Cb 0.06 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1fur h ARG 74 CO -0.04 0.82 -0.26 0.37 -1.51 0.00 0.00 179.97 179.35 1fur h GLN 75 N 1.22 0.99 -0.66 0.20 4.15 -0.71 -2.19 115.11 118.10 1fur h GLN 75 Ca 0.32 -0.45 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 1fur h GLN 75 Cb -0.09 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1fur h GLN 75 CO -0.06 1.12 0.26 0.00 -1.93 0.00 0.00 178.83 178.22 1fur h ALA 76 N 0.85 0.86 -0.71 3.38 0.00 -0.75 -2.46 119.26 120.43 1fur h ALA 76 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1fur h ALA 76 Cb 0.84 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1fur h ALA 76 CO 0.07 0.48 0.27 0.00 0.00 0.00 0.00 179.25 180.07 1fur h ALA 77 N 1.11 1.13 -0.30 0.00 0.00 -1.06 -2.30 119.26 117.86 1fur h ALA 77 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1fur h ALA 77 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fur h ALA 77 CO -0.02 0.61 0.01 -0.44 0.00 0.00 0.00 179.25 179.42 1fur h ASP 78 N 1.03 0.41 -0.59 0.00 3.32 -1.02 -0.44 116.42 119.13 1fur h ASP 78 Ca 0.24 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1fur h ASP 78 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1fur h ASP 78 CO -0.02 0.47 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.64 1fur h GLU 79 N 0.43 1.05 -0.64 3.56 5.08 -0.98 0.18 114.58 123.26 1fur h GLU 79 Ca 0.10 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1fur h GLU 79 Cb 0.27 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1fur h GLU 79 CO 0.01 1.03 0.29 0.28 -1.00 0.00 0.00 179.01 179.62 1fur h VAL 80 N 0.94 1.23 -0.04 3.13 2.07 -0.96 -0.80 116.25 121.81 1fur h VAL 80 Ca 0.17 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1fur h VAL 80 Cb 0.56 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1fur h VAL 80 CO 0.03 0.27 -0.29 -0.07 0.02 0.00 0.00 177.57 177.53 1fur h LEU 81 N 0.89 0.07 -0.02 2.57 3.38 -0.64 -1.70 115.31 119.86 1fur h LEU 81 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1fur h LEU 81 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1fur h LEU 81 CO -0.02 0.36 -0.00 0.00 0.09 0.00 0.00 178.44 178.86 1fur n ALA 82 N -2.48 2.60 -1.01 1.53 0.00 0.58 -4.90 120.51 116.83 1fur n ALA 82 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1fur n ALA 82 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1fur n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fur n GLY 83 N 1.14 0.48 0.06 0.00 0.00 -0.64 -4.96 105.19 101.27 1fur n GLY 83 Ca 0.19 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.41 1fur n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fur n GLN 84 N -2.59 0.33 -1.66 1.61 6.02 -0.38 -4.19 117.38 116.53 1fur n GLN 84 Ca 0.00 -0.11 0.02 0.00 -0.01 0.00 0.00 57.00 56.90 1fur n GLN 84 Cb 0.07 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.89 1fur n GLN 84 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1fur n HIS 85 N -1.23 0.43 0.32 1.08 8.25 -1.26 -4.86 115.22 117.95 1fur n HIS 85 Ca 0.10 -1.11 0.19 0.00 -0.26 0.00 0.00 57.72 56.64 1fur n HIS 85 Cb 0.31 -0.19 1.07 0.00 1.12 0.00 0.00 29.99 32.29 1fur n HIS 85 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1fur h ASP 86 N 1.41 0.00 0.28 0.41 3.32 -1.90 -0.57 116.42 119.38 1fur h ASP 86 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1fur h ASP 86 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1fur h ASP 86 CO 0.14 0.01 -0.05 -0.90 -1.72 0.00 0.00 179.24 176.71 1fur n ASP 87 N -3.37 0.37 -0.75 6.45 5.75 -1.26 -3.94 116.55 119.79 1fur n ASP 87 Ca -0.03 -0.67 0.11 0.00 -0.01 0.00 0.00 54.79 54.18 1fur n ASP 87 Cb 0.09 -0.09 0.31 0.00 -1.03 0.00 0.00 41.12 40.40 1fur n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fur n GLU 88 N -0.93 1.98 -3.65 0.11 -0.58 -0.22 -4.60 120.64 112.76 1fur n GLU 88 Ca 0.17 -1.48 -0.27 0.00 -0.42 0.00 0.00 57.16 55.16 1fur n GLU 88 Cb 0.24 -1.42 -0.11 0.00 -0.57 0.00 0.00 31.44 29.58 1fur n GLU 88 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1fur n PHE 89 N 0.70 1.94 1.54 -0.32 3.72 -1.25 -4.75 117.46 119.03 1fur n PHE 89 Ca 0.17 -3.97 0.14 0.00 -0.05 0.00 0.00 57.45 53.74 1fur n PHE 89 Cb 0.41 -0.36 0.67 0.00 -0.94 0.00 0.00 39.48 39.27 1fur n PHE 89 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1fur n PRO 90 N 2.00 0.88 -2.18 -1.08 -0.04 -1.26 -4.76 135.00 128.56 1fur n PRO 90 Ca 0.24 -0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1fur n PRO 90 Cb 0.41 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1fur n PRO 90 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fur s LEU 91 N -2.32 4.44 0.70 1.53 1.43 -1.26 -4.99 118.68 118.21 1fur s LEU 91 Ca 0.34 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.94 1fur s LEU 91 Cb 0.21 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.78 1fur s LEU 91 CO 0.43 -0.47 1.06 0.00 0.23 0.00 0.00 176.35 177.60 1fur s ALA 92 N -1.15 2.70 0.29 4.21 0.00 -1.26 -3.45 121.76 123.10 1fur s ALA 92 Ca 0.48 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1fur s ALA 92 Cb -0.38 -3.14 0.44 0.00 0.00 0.00 0.00 23.12 20.04 1fur s ALA 92 CO 0.51 -1.21 1.73 0.82 0.00 0.00 0.00 175.76 177.61 1fur h ILE 93 N -0.70 1.27 -0.72 0.00 1.08 -1.49 -3.35 117.51 113.59 1fur h ILE 93 Ca -0.44 -1.27 -0.72 0.00 -0.39 0.00 0.00 64.86 62.04 1fur h ILE 93 Cb 1.22 1.38 -0.09 0.00 -3.07 0.00 0.00 36.82 36.26 1fur h ILE 93 CO 0.59 0.40 2.50 0.79 -0.69 0.00 0.00 178.15 181.73 1fur n TRP 94 N -4.12 3.82 -2.63 1.37 7.02 -1.26 -4.56 117.44 117.08 1fur n TRP 94 Ca -0.01 -2.95 0.00 0.00 -1.02 0.00 0.00 57.50 53.53 1fur n TRP 94 Cb 0.41 -2.41 0.00 0.00 -2.42 0.00 0.00 31.31 26.89 1fur n TRP 94 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fur n GLN 95 N 6.10 2.13 -1.75 -0.99 10.64 -1.26 -4.83 117.38 127.42 1fur n GLN 95 Ca 0.47 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 55.23 1fur n GLN 95 Cb 0.40 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.77 1fur n GLN 95 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1fur s THR 96 N 0.61 2.01 0.05 -0.39 -1.32 -1.26 -4.88 115.64 110.47 1fur s THR 96 Ca 0.00 0.01 0.29 0.00 -1.21 0.00 0.00 61.69 60.78 1fur s THR 96 Cb 0.00 -3.01 0.30 0.00 -1.51 0.00 0.00 72.50 68.28 1fur s THR 96 CO 0.00 0.00 1.90 1.23 -2.21 0.00 0.00 174.62 175.54 1fur h GLY 97 N 4.88 0.00 1.06 6.08 0.00 -1.95 -1.60 103.07 111.54 1fur h GLY 97 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1fur h GLY 97 CO 0.80 0.00 -0.55 -1.14 0.00 0.00 0.00 176.54 175.65 1fur n SER 98 N -2.54 0.55 0.00 0.19 3.41 -1.26 -2.26 113.62 111.70 1fur n SER 98 Ca -0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1fur n SER 98 Cb 0.07 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1fur n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fur n GLY 99 N 1.44 0.48 0.28 5.00 0.00 -0.60 -4.68 105.19 107.12 1fur n GLY 99 Ca 0.05 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.71 1fur n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fur h THR 100 N 0.00 0.79 -0.59 2.61 2.02 -1.85 -1.61 112.91 114.27 1fur h THR 100 Ca 0.00 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1fur h THR 100 Cb 0.00 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 1fur h THR 100 CO 0.00 0.11 0.18 1.56 0.37 0.00 0.00 175.52 177.74 1fur h GLN 101 N 0.59 0.90 -0.00 6.66 4.20 -1.92 -0.44 115.11 125.10 1fur h GLN 101 Ca 0.39 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 1fur h GLN 101 Cb 0.48 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1fur h GLN 101 CO -0.31 0.78 -0.69 0.77 -0.67 0.00 0.00 178.83 178.70 1fur h SER 102 N 0.87 0.02 -0.08 1.46 0.02 -1.82 -0.52 113.55 113.51 1fur h SER 102 Ca 0.20 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1fur h SER 102 Cb 0.26 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1fur h SER 102 CO -0.01 0.71 0.03 -1.13 -1.14 0.00 0.00 176.83 175.29 1fur h ASN 103 N 0.01 0.10 -0.52 3.07 -1.24 -0.53 -2.07 115.58 114.40 1fur h ASN 103 Ca -0.01 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 56.82 1fur h ASN 103 Cb 1.23 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 40.22 1fur h ASN 103 CO 0.09 0.22 0.22 0.24 -1.29 0.00 0.00 177.43 176.92 1fur h MET 104 N -0.03 0.82 -0.39 6.67 2.86 -0.97 -0.75 114.93 123.14 1fur h MET 104 Ca 0.03 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1fur h MET 104 Cb 0.15 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1fur h MET 104 CO -0.00 0.68 0.16 -0.97 1.06 0.00 0.00 176.91 177.84 1fur h ASN 105 N 0.81 0.20 -0.52 1.22 -0.73 -0.81 0.16 115.58 115.92 1fur h ASN 105 Ca 0.19 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.30 1fur h ASN 105 Cb 0.17 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1fur h ASN 105 CO -0.02 0.15 -0.05 -0.03 -0.37 0.00 0.00 177.43 177.11 1fur h MET 106 N 0.34 0.95 -0.28 6.67 4.05 -0.88 -1.84 114.93 123.95 1fur h MET 106 Ca 0.18 -0.33 0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1fur h MET 106 Cb 0.13 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1fur h MET 106 CO -0.16 0.99 0.17 -0.91 0.23 0.00 0.00 176.91 177.23 1fur h ASN 107 N 0.82 0.28 -0.25 1.39 2.35 -0.45 -0.18 115.58 119.54 1fur h ASN 107 Ca 0.14 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1fur h ASN 107 Cb 0.60 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1fur h ASN 107 CO 0.04 0.21 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.68 1fur h GLU 108 N 0.35 0.45 -0.25 0.81 5.08 -0.65 -0.49 114.58 119.87 1fur h GLU 108 Ca 0.10 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1fur h GLU 108 Cb -0.02 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1fur h GLU 108 CO -0.04 0.63 0.13 0.28 -1.00 0.00 0.00 179.01 179.01 1fur h VAL 109 N 0.22 1.13 -0.35 3.13 2.07 -1.22 -0.56 116.25 120.67 1fur h VAL 109 Ca 0.07 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1fur h VAL 109 Cb 0.44 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1fur h VAL 109 CO 0.02 0.13 -0.15 -0.07 0.02 0.00 0.00 177.57 177.52 1fur h LEU 110 N 0.28 0.62 0.17 2.57 3.38 -1.02 -1.23 115.31 120.08 1fur h LEU 110 Ca 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1fur h LEU 110 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1fur h LEU 110 CO -0.01 0.79 -0.08 0.00 0.09 0.00 0.00 178.44 179.23 1fur h ALA 111 N 1.27 -0.23 -0.90 1.53 0.00 -0.80 0.45 119.26 120.58 1fur h ALA 111 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 111 Cb 0.59 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1fur h ALA 111 CO 0.04 -0.47 0.55 -0.91 0.00 0.00 0.00 179.25 178.46 1fur h ASN 112 N -0.55 1.07 -0.14 0.00 2.35 -1.07 -1.01 115.58 116.23 1fur h ASN 112 Ca -0.02 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 1fur h ASN 112 Cb 0.42 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.52 1fur h ASN 112 CO 0.04 0.82 -0.57 -0.09 -1.65 0.00 0.00 177.43 175.98 1fur h ARG 113 N 1.24 0.63 -0.40 0.81 9.65 -1.20 -2.98 114.38 122.13 1fur h ARG 113 Ca 0.32 -0.49 -0.04 0.00 -1.10 0.00 0.00 59.98 58.67 1fur h ARG 113 Cb -0.06 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1fur h ARG 113 CO -0.06 1.11 0.09 0.00 2.80 0.00 0.00 179.97 183.91 1fur h ALA 114 N 0.52 1.42 0.07 2.80 0.00 -0.70 -1.77 119.26 121.59 1fur h ALA 114 Ca -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fur h ALA 114 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1fur h ALA 114 CO 0.12 0.42 -0.03 1.03 0.00 0.00 0.00 179.25 180.79 1fur h SER 115 N 0.57 -0.07 -1.00 0.00 0.87 -1.16 -1.36 113.55 111.40 1fur h SER 115 Ca 0.13 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1fur h SER 115 Cb 0.23 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.15 1fur h SER 115 CO -0.00 -0.03 0.65 -0.33 -0.53 0.00 0.00 176.83 176.59 1fur h GLU 116 N -0.11 1.19 0.00 2.24 5.08 -1.32 0.30 114.58 121.97 1fur h GLU 116 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1fur h GLU 116 Cb 0.09 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1fur h GLU 116 CO 0.01 0.79 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.68 1fur h LEU 117 N 1.23 0.00 -2.28 1.33 4.07 -0.74 -0.06 115.31 118.85 1fur h LEU 117 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1fur h LEU 117 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1fur h LEU 117 CO -0.15 0.07 0.00 0.18 -1.08 0.00 0.00 178.44 177.46 1fur n LEU 118 N -3.63 3.43 0.00 1.67 4.77 -0.21 -4.87 117.00 118.16 1fur n LEU 118 Ca -0.02 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 1fur n LEU 118 Cb 0.18 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1fur n LEU 118 CO 0.28 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1fur n GLY 119 N 0.98 0.62 0.00 -0.72 0.00 -0.04 -5.03 105.19 101.00 1fur n GLY 119 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1fur n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fur n GLY 120 N -2.74 0.95 3.41 -0.02 0.00 0.90 -4.95 105.19 102.74 1fur n GLY 120 Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1fur n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fur s VAL 121 N 0.88 1.73 0.48 1.61 0.11 -1.26 -3.79 120.40 120.16 1fur s VAL 121 Ca 0.00 -2.17 -0.08 0.00 -2.93 0.00 0.00 61.98 56.80 1fur s VAL 121 Cb 0.00 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 1fur s VAL 121 CO 0.00 -0.39 0.82 0.00 -3.33 0.00 0.00 175.10 172.20 1fur s ARG 122 N -3.69 3.63 0.00 1.54 1.70 -1.26 -3.90 118.95 116.97 1fur s ARG 122 Ca 0.27 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.92 1fur s ARG 122 Cb 0.02 -2.33 0.00 0.00 -0.57 0.00 0.00 34.95 32.07 1fur s ARG 122 CO 0.11 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1fur n GLY 123 N -2.02 -0.80 0.00 3.88 0.00 -1.26 -4.65 105.19 100.34 1fur n GLY 123 Ca 0.02 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.89 1fur n GLY 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fur n MET 124 N 0.00 0.01 -0.84 1.61 2.81 -1.26 -1.50 117.12 117.95 1fur n MET 124 Ca 0.00 0.41 -0.05 0.00 -1.81 0.00 0.00 57.70 56.24 1fur n MET 124 Cb 0.00 -1.50 0.20 0.00 -0.71 0.00 0.00 33.22 31.21 1fur n MET 124 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1fur n GLU 125 N -1.47 1.88 -2.31 0.03 0.28 -1.26 -5.03 120.64 112.76 1fur n GLU 125 Ca 0.01 -3.18 -0.35 0.00 -0.16 0.00 0.00 57.16 53.48 1fur n GLU 125 Cb 0.04 -1.84 -0.01 0.00 1.43 0.00 0.00 31.44 31.07 1fur n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1fur s ARG 126 N -3.25 3.49 0.25 3.44 1.70 -0.57 -4.58 118.95 119.44 1fur s ARG 126 Ca 0.45 1.59 0.14 0.00 -0.47 0.00 0.00 55.73 57.44 1fur s ARG 126 Cb 0.41 -2.08 0.01 0.00 -0.57 0.00 0.00 34.95 32.72 1fur s ARG 126 CO 0.00 -0.73 1.40 0.87 -1.08 0.00 0.00 175.30 175.77 1fur h LYS 127 N 1.39 0.00 -5.91 3.89 1.57 -1.86 -3.45 116.57 112.20 1fur h LYS 127 Ca -0.50 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.61 1fur h LYS 127 Cb 1.25 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.36 1fur h LYS 127 CO 0.58 0.59 -0.70 0.08 -0.57 0.00 0.00 179.45 179.43 1fur s VAL 128 N -2.91 3.65 -0.12 0.50 1.01 -1.26 -5.00 120.40 116.26 1fur s VAL 128 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1fur s VAL 128 Cb 0.08 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1fur s VAL 128 CO 0.76 0.57 0.01 -1.00 0.00 0.00 0.00 175.10 175.44 1fur s HIS 129 N -0.47 3.15 0.11 5.22 3.76 -1.26 -4.59 115.29 121.20 1fur s HIS 129 Ca 0.07 0.05 -0.31 0.00 -0.15 0.00 0.00 55.06 54.72 1fur s HIS 129 Cb -0.12 -1.89 -0.11 0.00 1.11 0.00 0.00 32.58 31.57 1fur s HIS 129 CO 0.02 0.29 1.59 -1.35 -0.85 0.00 0.00 174.74 174.44 1fur h PRO 130 N 5.84 -0.65 0.01 8.40 0.11 -1.93 -1.36 132.00 142.43 1fur h PRO 130 Ca -0.43 0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1fur h PRO 130 Cb 1.19 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1fur h PRO 130 CO 0.60 -0.43 -0.01 -0.91 -0.21 0.00 0.00 178.00 177.04 1fur h ASN 131 N -0.67 -0.02 -0.65 -2.05 2.35 -1.95 -1.24 115.58 111.36 1fur h ASN 131 Ca 0.01 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1fur h ASN 131 Cb 0.68 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 1fur h ASN 131 CO -0.22 0.59 0.43 0.44 -1.65 0.00 0.00 177.43 177.02 1fur h ASP 132 N -1.00 0.64 0.00 5.81 3.32 -1.93 -2.92 116.42 120.35 1fur h ASP 132 Ca -0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1fur h ASP 132 Cb 0.24 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1fur h ASP 132 CO 0.00 0.44 -1.23 0.47 -1.72 0.00 0.00 179.24 177.20 1fur n ASP 133 N -4.46 1.70 0.05 6.45 8.00 -0.58 -4.22 116.55 123.48 1fur n ASP 133 Ca 0.08 0.28 -0.05 0.00 0.71 0.00 0.00 54.79 55.81 1fur n ASP 133 Cb 0.15 -0.65 0.15 0.00 -0.02 0.00 0.00 41.12 40.75 1fur n ASP 133 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1fur h VAL 134 N -0.79 1.32 -0.68 2.53 2.07 -1.24 -3.01 116.25 116.45 1fur h VAL 134 Ca -0.17 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1fur h VAL 134 Cb 1.00 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1fur h VAL 134 CO -0.10 0.50 0.00 -3.20 0.02 0.00 0.00 177.57 174.79 1fur n ASN 135 N -3.99 4.72 -4.71 0.57 5.15 -0.48 -4.92 115.26 111.61 1fur n ASN 135 Ca -0.02 -2.38 -0.43 0.00 -0.60 0.00 0.00 54.58 51.15 1fur n ASN 135 Cb 0.53 -0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 1fur n ASN 135 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fur n LYS 136 N 1.26 2.49 -1.03 1.20 4.81 -1.14 -1.50 118.16 124.25 1fur n LYS 136 Ca 0.26 0.89 -0.01 0.00 -0.87 0.00 0.00 58.31 58.59 1fur n LYS 136 Cb 0.86 -2.68 -0.00 0.00 0.02 0.00 0.00 35.03 33.23 1fur n LYS 136 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1fur n SER 137 N 3.14 -4.48 -4.60 3.14 7.64 -1.26 -4.97 113.62 112.23 1fur n SER 137 Ca 0.14 0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.73 1fur n SER 137 Cb 0.33 -2.08 -0.08 0.00 -1.01 0.00 0.00 64.21 61.38 1fur n SER 137 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fur s GLN 138 N -1.20 2.13 -0.04 1.43 -0.21 -0.56 -4.84 119.66 116.37 1fur s GLN 138 Ca 0.00 -2.35 -0.16 0.00 0.02 0.00 0.00 55.36 52.87 1fur s GLN 138 Cb 0.00 -1.30 0.03 0.00 1.00 0.00 0.00 33.01 32.74 1fur s GLN 138 CO 0.00 -0.39 0.35 0.45 -2.12 0.00 0.00 175.29 173.58 1fur s SER 139 N -3.81 -0.26 0.44 5.90 0.15 -1.26 -4.97 113.70 109.89 1fur s SER 139 Ca 0.10 0.25 0.12 0.00 0.70 0.00 0.00 55.95 57.13 1fur s SER 139 Cb 0.02 0.41 0.99 0.00 -1.71 0.00 0.00 66.02 65.73 1fur s SER 139 CO 0.06 -0.41 2.03 0.28 1.20 0.00 0.00 173.24 176.40 1fur h SER 140 N 4.08 0.15 -0.83 5.45 0.02 -1.94 0.12 113.55 120.59 1fur h SER 140 Ca -0.29 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1fur h SER 140 Cb 1.17 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1fur h SER 140 CO 0.38 0.22 0.53 0.78 -1.14 0.00 0.00 176.83 177.59 1fur h ASN 141 N 0.16 0.97 0.00 3.07 2.35 -1.85 -2.85 115.58 117.42 1fur h ASN 141 Ca 0.04 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fur h ASN 141 Cb 0.18 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1fur h ASN 141 CO 0.01 0.72 -1.23 -0.90 -1.65 0.00 0.00 177.43 174.38 1fur n ASP 142 N -4.39 0.76 -0.04 5.81 5.75 -0.86 -4.39 116.55 119.19 1fur n ASP 142 Ca 0.09 -0.65 -0.13 0.00 -0.01 0.00 0.00 54.79 54.10 1fur n ASP 142 Cb 0.04 1.29 -0.11 0.00 -1.03 0.00 0.00 41.12 41.32 1fur n ASP 142 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1fur h VAL 143 N 0.00 1.50 -0.44 2.12 2.07 -0.86 -3.17 116.25 117.48 1fur h VAL 143 Ca 0.00 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.79 1fur h VAL 143 Cb 0.60 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 1fur h VAL 143 CO 0.00 0.44 0.25 0.15 0.02 0.00 0.00 177.57 178.43 1fur h PHE 144 N -0.80 0.47 -0.85 1.57 3.57 -1.75 -0.68 116.94 118.47 1fur h PHE 144 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1fur h PHE 144 Cb 0.74 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1fur h PHE 144 CO 0.19 0.27 0.56 -1.35 -2.23 0.00 0.00 178.31 175.74 1fur h PRO 145 N 0.51 1.05 -0.24 6.41 0.11 -1.77 0.10 132.00 138.17 1fur h PRO 145 Ca 0.18 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1fur h PRO 145 Cb 0.02 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 1fur h PRO 145 CO -0.09 0.70 0.05 1.15 -0.21 0.00 0.00 178.00 179.60 1fur h THR 146 N 1.09 1.22 -0.57 -1.15 2.02 -1.36 -2.26 112.91 111.90 1fur h THR 146 Ca 0.33 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1fur h THR 146 Cb -0.03 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1fur h THR 146 CO -0.09 0.23 0.32 0.00 0.37 0.00 0.00 175.52 176.35 1fur h ALA 147 N 0.86 1.49 -0.08 6.16 0.00 -0.59 -0.91 119.26 126.19 1fur h ALA 147 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fur h ALA 147 Cb 0.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fur h ALA 147 CO 0.00 0.43 0.05 0.52 0.00 0.00 0.00 179.25 180.26 1fur h MET 148 N 0.79 0.11 -0.24 0.00 2.86 -0.71 -1.55 114.93 116.20 1fur h MET 148 Ca 0.20 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1fur h MET 148 Cb 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1fur h MET 148 CO -0.03 0.09 -0.35 0.45 1.06 0.00 0.00 176.91 178.13 1fur h HIS 149 N 0.10 0.59 -0.13 -0.22 3.86 -0.84 -0.73 115.15 117.79 1fur h HIS 149 Ca 0.03 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1fur h HIS 149 Cb 0.00 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1fur h HIS 149 CO -0.07 0.79 0.05 0.28 0.86 0.00 0.00 177.93 179.85 1fur h VAL 150 N 0.43 1.15 -0.13 2.45 2.07 -1.05 -0.45 116.25 120.73 1fur h VAL 150 Ca 0.05 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1fur h VAL 150 Cb 0.81 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1fur h VAL 150 CO 0.07 0.14 0.06 0.00 0.02 0.00 0.00 177.57 177.86 1fur h ALA 151 N 0.89 0.17 0.02 1.67 0.00 -1.18 -2.23 119.26 118.59 1fur h ALA 151 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fur h ALA 151 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fur h ALA 151 CO -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 179.25 178.92 1fur h ALA 152 N 0.94 -0.07 -0.45 0.00 0.00 -1.04 -0.77 119.26 117.86 1fur h ALA 152 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1fur h ALA 152 Cb 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1fur h ALA 152 CO -0.01 -0.55 0.19 1.25 0.00 0.00 0.00 179.25 180.13 1fur h LEU 153 N -0.10 0.61 -0.52 0.00 5.85 -1.08 -1.58 115.31 118.49 1fur h LEU 153 Ca 0.02 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1fur h LEU 153 Cb 0.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1fur h LEU 153 CO -0.04 0.60 0.14 -0.07 -0.34 0.00 0.00 178.44 178.73 1fur h LEU 154 N 0.58 0.77 -0.75 2.25 3.38 -1.31 -0.59 115.31 119.64 1fur h LEU 154 Ca 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1fur h LEU 154 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1fur h LEU 154 CO -0.01 0.79 0.37 0.00 0.09 0.00 0.00 178.44 179.68 1fur h ALA 155 N 1.01 0.97 -0.24 1.53 0.00 -1.00 0.37 119.26 121.91 1fur h ALA 155 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1fur h ALA 155 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1fur h ALA 155 CO -0.00 0.52 -0.03 -0.07 0.00 0.00 0.00 179.25 179.67 1fur h LEU 156 N 1.05 0.44 -0.12 0.00 3.38 -1.08 -1.46 115.31 117.52 1fur h LEU 156 Ca 0.26 -0.34 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 1fur h LEU 156 Cb 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1fur h LEU 156 CO -0.03 0.67 -0.71 0.03 0.09 0.00 0.00 178.44 178.49 1fur h ARG 157 N 0.19 0.69 0.00 1.13 3.08 -0.90 -1.41 114.38 117.16 1fur h ARG 157 Ca 0.06 -0.58 -0.14 0.00 0.07 0.00 0.00 59.98 59.39 1fur h ARG 157 Cb 0.47 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1fur h ARG 157 CO 0.02 1.20 -1.42 1.63 -1.07 0.00 0.00 179.97 180.32 1fur n LYS 158 N -4.03 0.62 -0.01 0.04 5.02 0.13 -4.44 118.16 115.49 1fur n LYS 158 Ca -0.08 0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1fur n LYS 158 Cb 0.71 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1fur n LYS 158 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fur n GLN 159 N -2.82 0.19 0.38 1.97 6.02 -0.60 -4.73 117.38 117.79 1fur n GLN 159 Ca -0.09 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 1fur n GLN 159 Cb 0.80 -0.76 -0.09 0.00 1.02 0.00 0.00 30.24 31.21 1fur n GLN 159 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fur h LEU 160 N -0.35 -1.09 -0.33 1.08 7.12 -1.44 -3.01 115.31 117.29 1fur h LEU 160 Ca 0.00 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.14 1fur h LEU 160 Cb 0.35 0.32 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 1fur h LEU 160 CO 0.00 -0.66 -0.08 0.40 -0.13 0.00 0.00 178.44 177.96 1fur h ILE 161 N -1.06 0.67 -0.92 4.05 2.04 -1.49 -1.09 117.51 119.71 1fur h ILE 161 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1fur h ILE 161 Cb 0.85 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1fur h ILE 161 CO 0.09 0.00 0.59 -0.65 0.00 0.00 0.00 178.15 178.19 1fur h PRO 162 N -0.00 1.09 -0.28 2.37 0.11 -1.77 -0.40 132.00 133.11 1fur h PRO 162 Ca 0.16 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1fur h PRO 162 Cb 0.24 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1fur h PRO 162 CO -0.34 0.72 -0.25 1.96 -0.21 0.00 0.00 178.00 179.88 1fur h GLN 163 N 1.12 0.54 -0.12 1.05 1.08 -1.31 -1.49 115.11 115.98 1fur h GLN 163 Ca 0.38 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1fur h GLN 163 Cb 0.08 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1fur h GLN 163 CO -0.14 0.75 0.01 1.25 -0.95 0.00 0.00 178.83 179.74 1fur h LEU 164 N 0.47 0.20 -0.95 1.46 5.85 -0.43 -2.18 115.31 119.74 1fur h LEU 164 Ca 0.07 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1fur h LEU 164 Cb 0.69 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1fur h LEU 164 CO 0.05 0.43 0.61 0.11 -0.34 0.00 0.00 178.44 179.30 1fur h LYS 165 N -0.04 1.27 -0.23 1.25 1.57 -0.96 -1.42 116.57 118.01 1fur h LYS 165 Ca 0.04 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1fur h LYS 165 Cb 0.32 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1fur h LYS 165 CO 0.00 0.86 0.10 1.15 -0.57 0.00 0.00 179.45 180.99 1fur h THR 166 N 1.30 1.16 -0.79 -0.16 2.02 -1.17 -1.28 112.91 113.99 1fur h THR 166 Ca 0.35 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1fur h THR 166 Cb -0.11 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1fur h THR 166 CO -0.07 0.16 0.44 0.25 0.37 0.00 0.00 175.52 176.66 1fur h LEU 167 N 0.23 0.99 -0.58 2.58 5.85 -1.13 -1.45 115.31 121.81 1fur h LEU 167 Ca 0.08 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1fur h LEU 167 Cb 0.16 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1fur h LEU 167 CO -0.01 0.80 0.36 0.74 -0.34 0.00 0.00 178.44 180.00 1fur h THR 168 N 1.10 1.10 -0.44 1.05 2.02 -1.07 -1.35 112.91 115.32 1fur h THR 168 Ca 0.28 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1fur h THR 168 Cb 0.03 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1fur h THR 168 CO -0.05 0.13 0.23 -0.61 0.37 0.00 0.00 175.52 175.60 1fur h GLN 169 N 0.73 0.62 -0.19 6.66 4.15 -0.60 -0.43 115.11 126.05 1fur h GLN 169 Ca 0.22 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1fur h GLN 169 Cb -0.02 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1fur h GLN 169 CO -0.08 0.51 0.10 1.15 -1.93 0.00 0.00 178.83 178.57 1fur h THR 170 N 0.58 1.01 -0.36 2.39 2.02 -0.86 -1.39 112.91 116.29 1fur h THR 170 Ca 0.15 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1fur h THR 170 Cb 0.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1fur h THR 170 CO -0.02 0.04 0.01 -0.07 0.37 0.00 0.00 175.52 175.85 1fur h LEU 171 N 0.21 0.52 -0.74 2.58 4.07 -1.06 -1.88 115.31 119.01 1fur h LEU 171 Ca 0.08 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1fur h LEU 171 Cb 0.01 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1fur h LEU 171 CO -0.05 0.58 0.07 -1.13 -1.08 0.00 0.00 178.44 176.83 1fur h ASN 172 N 0.53 0.99 -0.50 -0.43 -0.00 -0.65 0.36 115.58 115.88 1fur h ASN 172 Ca 0.12 -0.25 -0.03 0.00 -0.00 0.00 0.00 56.30 56.14 1fur h ASN 172 Cb 0.33 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.36 1fur h ASN 172 CO 0.01 1.01 0.18 -0.33 -0.00 0.00 0.00 177.43 178.30 1fur h GLU 173 N 0.96 0.77 -0.79 6.67 5.08 -0.72 -1.99 114.58 124.57 1fur h GLU 173 Ca 0.19 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1fur h GLU 173 Cb 0.46 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1fur h GLU 173 CO 0.02 0.70 0.31 0.87 -1.00 0.00 0.00 179.01 179.90 1fur h LYS 174 N 0.68 1.18 -0.19 2.33 1.79 -0.97 -1.21 116.57 120.18 1fur h LYS 174 Ca 0.17 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1fur h LYS 174 Cb 0.23 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1fur h LYS 174 CO -0.01 0.95 0.07 1.03 -1.08 0.00 0.00 179.45 180.41 1fur h SER 175 N 1.14 0.08 -0.63 0.86 0.87 -0.66 -1.36 113.55 113.86 1fur h SER 175 Ca 0.26 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.74 1fur h SER 175 Cb 0.22 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1fur h SER 175 CO -0.02 0.07 0.02 0.03 -0.53 0.00 0.00 176.83 176.40 1fur h ARG 176 N 0.16 1.09 -0.65 2.24 3.08 -1.17 -2.51 114.38 116.62 1fur h ARG 176 Ca 0.08 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1fur h ARG 176 Cb 0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1fur h ARG 176 CO -0.08 1.05 0.28 0.00 -1.07 0.00 0.00 179.97 180.15 1fur h ALA 177 N 1.00 1.27 -0.55 0.04 0.00 -0.92 -2.90 119.26 117.19 1fur h ALA 177 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1fur h ALA 177 Cb 0.55 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1fur h ALA 177 CO 0.03 0.55 0.10 1.19 0.00 0.00 0.00 179.25 181.11 1fur n PHE 178 N -4.32 1.92 0.23 0.00 3.72 -0.54 -4.63 117.46 113.84 1fur n PHE 178 Ca 0.06 -0.99 0.15 0.00 -0.05 0.00 0.00 57.45 56.62 1fur n PHE 178 Cb 0.16 -0.53 0.81 0.00 -0.94 0.00 0.00 39.48 38.97 1fur n PHE 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fur h ALA 179 N 2.85 1.81 -0.02 4.37 0.00 -1.24 -1.86 119.26 125.18 1fur h ALA 179 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1fur h ALA 179 Cb 1.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1fur h ALA 179 CO 0.52 -0.15 -0.22 -0.40 0.00 0.00 0.00 179.25 179.00 1fur n ASP 180 N -4.04 2.08 -4.52 0.00 5.75 -1.26 -4.64 116.55 109.91 1fur n ASP 180 Ca -0.00 -1.56 -0.43 0.00 -0.01 0.00 0.00 54.79 52.79 1fur n ASP 180 Cb 0.21 0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 1fur n ASP 180 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1fur s ILE 181 N -2.26 4.51 0.04 2.12 1.01 -0.91 -5.00 121.20 120.72 1fur s ILE 181 Ca 0.26 0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.91 1fur s ILE 181 Cb 0.19 -4.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1fur s ILE 181 CO 0.44 -0.96 0.85 -0.69 0.00 0.00 0.00 174.94 174.58 1fur s VAL 182 N 3.63 4.75 0.19 2.92 1.01 -1.26 0.18 120.40 131.81 1fur s VAL 182 Ca 0.29 1.80 0.01 0.00 0.00 0.00 0.00 61.98 64.09 1fur s VAL 182 Cb -0.13 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1fur s VAL 182 CO 0.20 0.29 0.04 -1.59 0.00 0.00 0.00 175.10 174.04 1fur s LYS 183 N 0.30 1.16 0.24 2.72 -2.85 0.03 -4.82 119.74 116.51 1fur s LYS 183 Ca 0.43 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 1fur s LYS 183 Cb -0.21 -0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.32 1fur s LYS 183 CO 0.25 -0.21 1.08 -1.50 0.10 0.00 0.00 175.35 175.07 1fur s ILE 184 N -3.77 3.69 0.58 3.79 1.10 -1.26 -1.92 121.20 123.40 1fur s ILE 184 Ca 0.28 1.61 -0.07 0.00 -0.51 0.00 0.00 60.65 61.96 1fur s ILE 184 Cb 0.07 -4.03 -0.01 0.00 0.15 0.00 0.00 42.46 38.64 1fur s ILE 184 CO 0.06 0.35 0.92 -0.83 -2.11 0.00 0.00 174.94 173.33 1fur s GLY 185 N -0.65 1.59 -0.09 1.50 0.00 -1.02 -4.81 107.32 103.84 1fur s GLY 185 Ca 0.46 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.63 1fur s GLY 185 CO 0.38 -0.26 0.13 0.50 0.00 0.00 0.00 173.10 173.85 1fur s ARG 186 N -5.00 0.01 -0.05 2.90 0.52 -1.26 0.33 118.95 116.40 1fur s ARG 186 Ca 0.53 0.42 0.04 0.00 -0.52 0.00 0.00 55.73 56.20 1fur s ARG 186 Cb -0.11 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.79 1fur s ARG 186 CO 0.47 -0.37 -0.18 0.95 0.02 0.00 0.00 175.30 176.18 1fur s THR 187 N 2.24 1.54 -1.91 0.02 -4.23 -0.70 -4.63 115.64 107.97 1fur s THR 187 Ca 0.04 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1fur s THR 187 Cb -0.13 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1fur s THR 187 CO -0.06 0.44 0.00 0.59 -0.54 0.00 0.00 174.62 175.06 1fur n ASN 188 N 3.21 -5.29 0.00 3.99 4.13 -1.26 -0.80 115.26 119.23 1fur n ASN 188 Ca -0.18 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1fur n ASN 188 Cb 0.53 -4.42 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 1fur n ASN 188 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fur n LEU 189 N -2.25 0.30 -4.94 3.41 4.77 -1.26 -5.02 117.00 112.02 1fur n LEU 189 Ca -0.19 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.51 1fur n LEU 189 Cb 0.63 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1fur n LEU 189 CO 0.28 -0.20 -0.06 -1.10 -1.33 0.00 0.00 177.39 174.98 1fur s GLN 190 N -0.39 3.47 0.32 3.23 -1.52 0.02 -5.03 119.66 119.74 1fur s GLN 190 Ca 0.00 -0.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.63 1fur s GLN 190 Cb 0.00 -2.93 -0.12 0.00 -0.22 0.00 0.00 33.01 29.74 1fur s GLN 190 CO 0.00 0.49 1.47 -0.25 -0.25 0.00 0.00 175.29 176.75 1fur n ASP 191 N -0.48 3.41 -3.04 5.90 8.00 -1.26 -1.73 116.55 127.35 1fur n ASP 191 Ca -0.06 1.18 -0.18 0.00 0.71 0.00 0.00 54.79 56.44 1fur n ASP 191 Cb 0.54 -1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.02 1fur n ASP 191 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fur n ALA 192 N 1.25 0.58 -1.72 2.24 0.00 0.15 -4.77 120.51 118.24 1fur n ALA 192 Ca 0.06 -1.68 -0.40 0.00 0.00 0.00 0.00 53.44 51.43 1fur n ALA 192 Cb 0.36 1.30 0.03 0.00 0.00 0.00 0.00 19.45 21.14 1fur n ALA 192 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1fur n THR 193 N -0.60 3.17 -1.00 0.00 5.66 -1.26 -2.89 114.28 117.35 1fur n THR 193 Ca 0.04 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.22 1fur n THR 193 Cb 0.51 -1.64 0.13 0.00 -1.55 0.00 0.00 70.33 67.79 1fur n THR 193 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1fur s PRO 194 N -2.55 1.55 0.14 1.09 0.02 -1.26 -2.45 135.00 131.54 1fur s PRO 194 Ca 0.66 1.54 -0.22 0.00 0.02 0.00 0.00 61.00 63.00 1fur s PRO 194 Cb -0.45 -1.79 0.06 0.00 0.02 0.00 0.00 34.50 32.34 1fur s PRO 194 CO 0.54 -2.23 0.56 -0.48 -0.33 0.00 0.00 177.00 175.06 1fur s LEU 195 N -6.08 -0.36 0.53 -5.54 2.34 -0.81 -4.80 118.68 103.96 1fur s LEU 195 Ca 0.68 -0.02 -0.09 0.00 0.06 0.00 0.00 54.13 54.76 1fur s LEU 195 Cb -0.23 2.42 -0.04 0.00 -0.56 0.00 0.00 46.19 47.78 1fur s LEU 195 CO 0.54 -0.92 0.89 0.42 -1.06 0.00 0.00 176.35 176.22 1fur s THR 196 N -3.57 4.79 0.30 5.48 -4.23 -1.26 -0.79 115.64 116.36 1fur s THR 196 Ca 0.00 0.58 -0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1fur s THR 196 Cb -0.00 -3.84 0.18 0.00 1.34 0.00 0.00 72.50 70.17 1fur s THR 196 CO -0.11 -0.92 1.87 0.25 -0.54 0.00 0.00 174.62 175.17 1fur h LEU 197 N 0.18 0.76 -1.01 4.79 5.85 -0.39 -2.16 115.31 123.33 1fur h LEU 197 Ca -0.46 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1fur h LEU 197 Cb 1.20 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1fur h LEU 197 CO 0.62 0.70 0.51 1.23 -0.34 0.00 0.00 178.44 181.16 1fur h GLY 198 N 0.95 1.28 1.03 3.75 0.00 -1.55 -1.10 103.07 107.42 1fur h GLY 198 Ca 0.19 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1fur h GLY 198 CO -0.01 0.53 -0.22 1.46 0.00 0.00 0.00 176.54 178.29 1fur h GLN 199 N 1.21 0.83 -0.54 4.80 4.20 -1.71 -1.31 115.11 122.58 1fur h GLN 199 Ca 0.31 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1fur h GLN 199 Cb -0.02 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1fur h GLN 199 CO -0.06 1.01 0.34 1.49 -0.67 0.00 0.00 178.83 180.95 1fur h GLU 200 N 0.63 0.72 -0.00 1.46 4.81 -0.99 -1.91 114.58 119.30 1fur h GLU 200 Ca 0.08 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1fur h GLU 200 Cb 0.79 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1fur h GLU 200 CO 0.06 0.50 -0.46 0.82 -0.73 0.00 0.00 179.01 179.20 1fur h ILE 201 N 0.73 1.33 0.00 2.32 2.04 -1.16 -2.49 117.51 120.27 1fur h ILE 201 Ca 0.20 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 1fur h ILE 201 Cb -0.05 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1fur h ILE 201 CO -0.04 0.45 -0.08 0.77 0.00 0.00 0.00 178.15 179.25 1fur h SER 202 N 0.00 0.00 -0.31 1.72 4.64 -0.42 -0.35 113.55 118.83 1fur h SER 202 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1fur h SER 202 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1fur h SER 202 CO 0.06 0.08 -0.31 1.23 -0.87 0.00 0.00 176.83 177.03 1fur h GLY 203 N 0.68 0.91 0.99 -0.77 0.00 -1.21 -0.63 103.07 103.04 1fur h GLY 203 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 1fur h GLY 203 CO 0.01 0.77 0.09 1.49 0.00 0.00 0.00 176.54 178.91 1fur h TRP 204 N 0.71 0.89 -0.04 5.60 6.55 -1.15 -1.15 115.95 127.35 1fur h TRP 204 Ca 0.08 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.80 1fur h TRP 204 Cb 0.86 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.91 1fur h TRP 204 CO 0.05 0.80 0.03 0.28 -1.05 0.00 0.00 178.44 178.55 1fur h VAL 205 N 0.72 1.03 -0.56 1.49 2.07 -1.10 -1.85 116.25 118.05 1fur h VAL 205 Ca 0.16 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1fur h VAL 205 Cb 0.39 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1fur h VAL 205 CO 0.01 0.02 0.34 0.00 0.02 0.00 0.00 177.57 177.96 1fur h ALA 206 N 1.00 1.55 -0.21 1.67 0.00 -0.96 -0.11 119.26 122.20 1fur h ALA 206 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fur h ALA 206 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1fur h ALA 206 CO -0.00 0.40 0.09 0.52 0.00 0.00 0.00 179.25 180.26 1fur h MET 207 N 0.76 0.31 -0.30 0.00 2.07 -0.85 -1.25 114.93 115.67 1fur h MET 207 Ca 0.20 -0.05 -0.10 0.00 -2.07 0.00 0.00 59.70 57.68 1fur h MET 207 Cb -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 1fur h MET 207 CO -0.04 0.35 -0.24 -0.07 1.07 0.00 0.00 176.91 177.98 1fur h LEU 208 N 0.20 0.59 -0.65 1.22 3.38 -0.76 -0.69 115.31 118.61 1fur h LEU 208 Ca 0.07 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1fur h LEU 208 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1fur h LEU 208 CO -0.01 0.82 -0.08 -0.33 0.09 0.00 0.00 178.44 178.93 1fur h GLU 209 N 0.51 0.98 -0.52 1.13 5.08 -0.92 -1.46 114.58 119.38 1fur h GLU 209 Ca 0.07 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1fur h GLU 209 Cb 0.69 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1fur h GLU 209 CO 0.05 1.01 -0.13 0.45 -1.00 0.00 0.00 179.01 179.39 1fur h HIS 210 N 0.88 1.14 -0.80 4.33 3.86 -0.90 -2.90 115.15 120.76 1fur h HIS 210 Ca 0.15 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1fur h HIS 210 Cb 0.62 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 1fur h HIS 210 CO 0.04 1.07 0.38 -0.91 0.86 0.00 0.00 177.93 179.37 1fur h ASN 211 N 0.88 1.04 -0.45 2.45 2.35 -0.85 -2.50 115.58 118.50 1fur h ASN 211 Ca 0.13 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1fur h ASN 211 Cb 0.71 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1fur h ASN 211 CO 0.05 0.88 0.24 0.25 -1.65 0.00 0.00 177.43 177.21 1fur h LEU 212 N 1.14 0.37 -0.75 1.61 5.85 -1.08 -1.41 115.31 121.03 1fur h LEU 212 Ca 0.27 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1fur h LEU 212 Cb 0.12 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1fur h LEU 212 CO -0.03 0.26 0.37 0.11 -0.34 0.00 0.00 178.44 178.81 1fur h LYS 213 N 0.49 1.08 -0.74 1.25 1.57 -1.32 -1.08 116.57 117.81 1fur h LYS 213 Ca 0.19 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1fur h LYS 213 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1fur h LYS 213 CO -0.11 0.84 0.38 0.45 -0.57 0.00 0.00 179.45 180.43 1fur h HIS 214 N 1.06 1.04 -0.64 -1.35 3.86 -1.01 -1.64 115.15 116.48 1fur h HIS 214 Ca 0.26 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1fur h HIS 214 Cb 0.10 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1fur h HIS 214 CO 0.01 0.75 0.16 0.82 0.86 0.00 0.00 177.93 180.53 1fur h ILE 215 N 1.03 1.25 -0.80 2.45 2.04 -0.92 -2.88 117.51 119.69 1fur h ILE 215 Ca 0.26 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1fur h ILE 215 Cb 0.08 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1fur h ILE 215 CO -0.04 0.35 0.43 -0.33 0.00 0.00 0.00 178.15 178.56 1fur h GLU 216 N 0.94 1.12 0.00 2.37 5.08 -0.69 -2.17 114.58 121.23 1fur h GLU 216 Ca 0.20 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1fur h GLU 216 Cb 0.35 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1fur h GLU 216 CO 0.00 0.83 -0.06 1.88 -1.00 0.00 0.00 179.01 180.66 1fur h TYR 217 N 1.12 0.00 0.00 4.33 0.05 -1.10 -2.55 116.97 118.83 1fur h TYR 217 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1fur h TYR 217 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1fur h TYR 217 CO 0.01 0.06 -0.57 0.66 -1.05 0.00 0.00 178.16 177.27 1fur h SER 218 N 0.00 0.00 -0.69 3.88 4.64 -1.30 -3.39 113.55 116.69 1fur h SER 218 Ca -0.00 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1fur h SER 218 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1fur h SER 218 CO 0.01 0.05 0.40 -0.07 -0.87 0.00 0.00 176.83 176.34 1fur h LEU 219 N 0.00 0.84 -1.88 5.97 3.38 -1.40 -3.10 115.31 119.11 1fur h LEU 219 Ca 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1fur h LEU 219 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1fur h LEU 219 CO 0.00 0.67 0.10 1.55 0.09 0.00 0.00 178.44 180.85 1fur h PRO 220 N 0.94 0.15 -0.09 1.13 0.13 -1.77 -1.16 132.00 131.34 1fur h PRO 220 Ca 0.24 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.18 1fur h PRO 220 Cb -0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1fur h PRO 220 CO -0.04 0.10 -0.74 1.25 -0.23 0.00 0.00 178.00 178.34 1fur h HIS 221 N 0.16 0.62 0.00 1.56 2.76 -1.83 -2.93 115.15 115.48 1fur h HIS 221 Ca 0.06 -0.27 -0.08 0.00 -2.20 0.00 0.00 60.37 57.88 1fur h HIS 221 Cb 0.06 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1fur h HIS 221 CO -0.00 1.04 -0.36 0.28 -1.30 0.00 0.00 177.93 177.59 1fur h VAL 222 N 0.31 0.93 0.00 5.26 2.07 -1.38 -2.95 116.25 120.48 1fur h VAL 222 Ca -0.03 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1fur h VAL 222 Cb 1.32 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1fur h VAL 222 CO 0.13 0.35 0.00 0.00 0.02 0.00 0.00 177.57 178.07 1fur n ALA 223 N -2.32 1.64 -2.61 1.67 0.00 -0.50 -4.72 120.51 113.67 1fur n ALA 223 Ca -0.01 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1fur n ALA 223 Cb 0.47 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1fur n ALA 223 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fur s GLU 224 N -3.22 4.47 -0.07 0.00 2.02 -1.12 -1.56 118.70 119.22 1fur s GLU 224 Ca 0.05 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1fur s GLU 224 Cb 0.09 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1fur s GLU 224 CO 0.34 -0.21 -0.05 -0.51 0.02 0.00 0.00 175.26 174.85 1fur s LEU 225 N 1.43 3.28 0.20 1.80 1.43 0.36 -4.74 118.68 122.44 1fur s LEU 225 Ca 0.53 0.02 0.26 0.00 -1.03 0.00 0.00 54.13 53.91 1fur s LEU 225 Cb -0.23 -1.73 0.67 0.00 0.03 0.00 0.00 46.19 44.94 1fur s LEU 225 CO 0.25 0.37 1.66 0.00 0.23 0.00 0.00 176.35 178.85 1fur h ALA 226 N 5.24 0.90 -1.98 4.21 0.00 -1.87 0.99 119.26 126.73 1fur h ALA 226 Ca -0.49 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 1fur h ALA 226 Cb 1.18 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.00 1fur h ALA 226 CO 0.53 0.00 0.95 -0.11 0.00 0.00 0.00 179.25 180.62 1fur n LEU 227 N -2.27 3.07 0.00 0.00 7.94 -1.25 -1.79 117.00 122.70 1fur n LEU 227 Ca 0.05 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1fur n LEU 227 Cb 0.44 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1fur n LEU 227 CO 0.32 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 1fur n GLY 228 N 4.00 2.11 0.08 -3.96 0.00 -1.26 -4.50 105.19 101.66 1fur n GLY 228 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1fur n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fur n GLY 229 N -0.26 -1.63 7.00 -0.02 0.00 -0.74 -4.01 105.19 105.53 1fur n GLY 229 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1fur n GLY 229 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fur n THR 230 N -2.05 0.00 0.10 2.61 -2.24 -1.26 -0.28 114.28 111.16 1fur n THR 230 Ca 0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1fur n THR 230 Cb 0.40 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 1fur n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fur h ALA 231 N -0.67 -0.36 0.00 6.98 0.00 -1.93 -3.33 119.26 119.94 1fur h ALA 231 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fur h ALA 231 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fur h ALA 231 CO 0.00 -0.75 0.00 1.33 0.00 0.00 0.00 179.25 179.83 1fur n VAL 232 N -5.35 0.55 0.00 0.00 0.24 -1.25 -4.89 118.33 107.63 1fur n VAL 232 Ca -0.06 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1fur n VAL 232 Cb 0.26 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 1fur n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fur n GLY 233 N -0.27 2.15 0.15 7.63 0.00 0.62 -4.77 105.19 110.69 1fur n GLY 233 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1fur n GLY 233 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1fur h THR 234 N 0.00 0.00 -0.19 2.61 1.35 -1.88 -3.43 112.91 111.37 1fur h THR 234 Ca 0.00 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 65.44 1fur h THR 234 Cb 0.00 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 1fur h THR 234 CO 0.00 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 175.81 1fur n GLY 235 N 0.23 0.69 3.75 5.82 0.00 -0.71 -4.97 105.19 109.99 1fur n GLY 235 Ca 0.02 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1fur n GLY 235 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fur s LEU 236 N -0.92 4.34 -0.23 0.99 0.20 -1.26 -2.97 118.68 118.82 1fur s LEU 236 Ca 0.00 2.99 -0.00 0.00 0.69 0.00 0.00 54.13 57.81 1fur s LEU 236 Cb 0.00 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1fur s LEU 236 CO 0.00 -0.93 0.05 0.59 -0.29 0.00 0.00 176.35 175.76 1fur n ASN 237 N 1.93 -1.95 -4.05 3.68 5.03 -1.26 -4.78 115.26 113.86 1fur n ASN 237 Ca 0.07 -0.02 -0.08 0.00 0.87 0.00 0.00 54.58 55.42 1fur n ASN 237 Cb 0.37 -1.13 -0.09 0.00 -1.02 0.00 0.00 39.78 37.91 1fur n ASN 237 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fur s THR 238 N -2.40 0.18 0.20 3.41 -4.23 -1.16 -4.74 115.64 106.90 1fur s THR 238 Ca 0.02 -1.68 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 1fur s THR 238 Cb -0.01 -1.59 -0.08 0.00 1.34 0.00 0.00 72.50 72.16 1fur s THR 238 CO 0.03 -0.80 1.08 -2.28 -0.54 0.00 0.00 174.62 172.11 1fur s HIS 239 N -3.93 3.63 0.62 3.99 2.46 -1.26 -4.92 115.29 115.88 1fur s HIS 239 Ca 0.10 1.65 0.29 0.00 0.47 0.00 0.00 55.06 57.57 1fur s HIS 239 Cb 0.07 -3.24 1.52 0.00 -0.13 0.00 0.00 32.58 30.79 1fur s HIS 239 CO -0.08 -0.47 1.90 -1.00 -2.47 0.00 0.00 174.74 172.62 1fur h PRO 240 N 4.79 0.00 -0.01 2.88 0.13 -2.01 0.74 132.00 138.53 1fur h PRO 240 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1fur h PRO 240 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1fur h PRO 240 CO 0.71 0.00 -0.70 0.39 -0.23 0.00 0.00 178.00 178.17 1fur n GLU 241 N -3.39 0.46 0.12 0.86 1.02 -1.26 -4.63 120.64 113.81 1fur n GLU 241 Ca 0.04 -0.36 -0.16 0.00 -0.02 0.00 0.00 57.16 56.66 1fur n GLU 241 Cb 0.55 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 1fur n GLU 241 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1fur h TYR 242 N 0.88 -1.41 -0.86 -0.32 3.20 -1.22 -1.22 116.97 116.01 1fur h TYR 242 Ca 0.00 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.07 1fur h TYR 242 Cb 0.58 0.60 -0.10 0.00 1.54 0.00 0.00 36.73 39.35 1fur h TYR 242 CO 0.00 -0.58 0.44 0.00 -1.64 0.00 0.00 178.16 176.38 1fur h ALA 243 N -0.41 1.32 -0.14 1.82 0.00 -1.79 0.43 119.26 120.50 1fur h ALA 243 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1fur h ALA 243 Cb 0.74 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1fur h ALA 243 CO -0.27 -0.13 -0.22 -0.09 0.00 0.00 0.00 179.25 178.54 1fur h ARG 244 N 0.59 0.39 -0.58 0.00 2.43 -1.81 -2.91 114.38 112.49 1fur h ARG 244 Ca 0.48 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1fur h ARG 244 Cb 0.73 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1fur h ARG 244 CO -0.39 0.82 0.12 0.00 -1.51 0.00 0.00 179.97 179.01 1fur h ARG 245 N -0.00 0.95 -0.21 0.20 3.08 -0.56 -1.47 114.38 116.37 1fur h ARG 245 Ca 0.01 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 1fur h ARG 245 Cb 0.79 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1fur h ARG 245 CO 0.05 0.89 -0.26 -0.24 -1.07 0.00 0.00 179.97 179.34 1fur h VAL 246 N 0.85 1.26 -0.40 2.04 3.04 -1.01 -0.29 116.25 121.74 1fur h VAL 246 Ca 0.18 -1.24 -0.13 0.00 -1.01 0.00 0.00 66.70 64.50 1fur h VAL 246 Cb 0.39 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1fur h VAL 246 CO 0.01 0.39 -0.26 0.00 -1.01 0.00 0.00 177.57 176.69 1fur h ALA 247 N 1.37 0.57 -0.31 3.17 0.00 -1.29 -1.70 119.26 121.07 1fur h ALA 247 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1fur h ALA 247 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1fur h ALA 247 CO 0.05 0.58 0.16 -0.44 0.00 0.00 0.00 179.25 179.60 1fur h ASP 248 N 0.70 0.39 -0.23 0.00 3.32 -0.87 -1.21 116.42 118.52 1fur h ASP 248 Ca 0.08 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1fur h ASP 248 Cb 0.84 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1fur h ASP 248 CO 0.07 0.38 0.09 -0.08 -1.72 0.00 0.00 179.24 177.98 1fur h GLU 249 N 0.38 0.20 -0.93 3.56 4.57 -0.94 0.60 114.58 122.02 1fur h GLU 249 Ca 0.11 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1fur h GLU 249 Cb 0.08 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1fur h GLU 249 CO -0.02 0.13 0.60 -0.07 -1.18 0.00 0.00 179.01 178.47 1fur h LEU 250 N 0.21 1.08 -0.65 1.64 3.38 -1.19 -0.97 115.31 118.81 1fur h LEU 250 Ca 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1fur h LEU 250 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1fur h LEU 250 CO -0.09 0.80 0.32 0.00 0.09 0.00 0.00 178.44 179.56 1fur h ALA 251 N 1.33 0.84 0.26 1.53 0.00 -0.57 -0.71 119.26 121.93 1fur h ALA 251 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1fur h ALA 251 Cb -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1fur h ALA 251 CO -0.07 0.39 -0.12 0.28 0.00 0.00 0.00 179.25 179.73 1fur h VAL 252 N 0.89 0.79 0.00 0.00 2.07 -0.17 0.19 116.25 120.02 1fur h VAL 252 Ca 0.22 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1fur h VAL 252 Cb 0.10 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1fur h VAL 252 CO -0.03 0.06 -0.22 0.16 0.02 0.00 0.00 177.57 177.55 1fur h ILE 253 N -0.48 0.53 0.00 4.57 3.07 -1.12 -3.21 117.51 120.87 1fur h ILE 253 Ca -0.04 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.22 1fur h ILE 253 Cb 0.36 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1fur h ILE 253 CO 0.06 0.22 -1.67 0.35 -1.05 0.00 0.00 178.15 176.05 1fur n THR 254 N -3.36 0.00 -1.46 0.16 -2.24 -0.28 -4.97 114.28 102.13 1fur n THR 254 Ca 0.00 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1fur n THR 254 Cb 0.44 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 1fur n THR 254 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fur s ALA 256 N -2.58 3.28 -0.96 0.00 0.00 -1.21 -5.02 121.76 115.27 1fur s ALA 256 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 1fur s ALA 256 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 1fur s ALA 256 CO 0.00 0.66 2.16 -0.35 0.00 0.00 0.00 175.76 178.23 1fur n PRO 257 N 1.27 2.18 -2.44 0.00 -0.04 -1.26 -4.39 135.00 130.32 1fur n PRO 257 Ca -0.14 -1.54 -0.39 0.00 -0.04 0.00 0.00 63.50 61.40 1fur n PRO 257 Cb 0.53 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 1fur n PRO 257 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1fur s PHE 258 N 3.40 3.34 0.03 0.54 0.08 -1.26 -4.87 117.98 119.24 1fur s PHE 258 Ca 0.43 1.64 -0.02 0.00 0.12 0.00 0.00 56.93 59.10 1fur s PHE 258 Cb 0.11 -3.27 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 1fur s PHE 258 CO -0.03 -0.79 0.00 0.14 -0.10 0.00 0.00 175.22 174.44 1fur s VAL 259 N -1.39 0.14 0.28 -0.44 -7.23 -0.60 -4.72 120.40 106.44 1fur s VAL 259 Ca 0.52 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.24 1fur s VAL 259 Cb -0.28 -0.70 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 1fur s VAL 259 CO 0.36 -0.64 1.06 0.28 -0.31 0.00 0.00 175.10 175.85 1fur s THR 260 N -2.28 3.65 0.13 5.32 -1.32 -1.26 -0.49 115.64 119.38 1fur s THR 260 Ca -0.08 1.63 -0.31 0.00 -1.21 0.00 0.00 61.69 61.72 1fur s THR 260 Cb -0.04 -4.02 -0.09 0.00 -1.51 0.00 0.00 72.50 66.83 1fur s THR 260 CO -0.04 0.36 1.63 0.00 -2.21 0.00 0.00 174.62 174.36 1fur s ALA 261 N -1.21 3.75 0.38 11.08 0.00 0.34 -4.63 121.76 131.46 1fur s ALA 261 Ca 0.45 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.78 1fur s ALA 261 Cb -0.30 -3.66 0.77 0.00 0.00 0.00 0.00 23.12 19.93 1fur s ALA 261 CO 0.38 -0.94 2.01 -1.00 0.00 0.00 0.00 175.76 176.21 1fur h PRO 262 N 7.53 0.68 -4.61 0.00 0.13 -1.93 -3.36 132.00 130.43 1fur h PRO 262 Ca -0.43 -0.04 -0.65 0.00 -0.87 0.00 0.00 66.00 64.01 1fur h PRO 262 Cb 1.20 -0.15 -0.38 0.00 0.13 0.00 0.00 31.00 31.80 1fur h PRO 262 CO 0.92 0.45 -0.77 1.21 -0.23 0.00 0.00 178.00 179.58 1fur s ASN 263 N -6.46 4.35 0.51 1.44 2.47 -1.26 -4.99 114.94 111.01 1fur s ASN 263 Ca -0.09 -1.55 0.29 0.00 0.42 0.00 0.00 52.86 51.93 1fur s ASN 263 Cb 0.18 -1.43 1.32 0.00 -1.45 0.00 0.00 41.25 39.87 1fur s ASN 263 CO 0.75 -0.26 1.99 0.11 -3.72 0.00 0.00 177.10 175.97 1fur h LYS 264 N 7.79 0.00 -0.25 0.43 1.79 -1.85 -2.61 116.57 121.87 1fur h LYS 264 Ca -0.14 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.14 1fur h LYS 264 Cb 1.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1fur h LYS 264 CO 0.46 0.12 -0.56 0.74 -1.08 0.00 0.00 179.45 179.13 1fur h PHE 265 N 0.00 0.99 -0.44 -1.35 0.04 -1.86 -0.99 116.94 113.33 1fur h PHE 265 Ca -0.00 -0.36 -0.14 0.00 2.80 0.00 0.00 57.97 60.27 1fur h PHE 265 Cb 0.50 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1fur h PHE 265 CO 0.00 1.16 -0.27 1.49 -0.60 0.00 0.00 178.31 180.10 1fur h GLU 266 N 0.60 0.95 -0.54 1.51 4.22 -1.93 -0.43 114.58 118.96 1fur h GLU 266 Ca 0.01 -0.43 -0.02 0.00 0.08 0.00 0.00 59.36 59.00 1fur h GLU 266 Cb 1.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1fur h GLU 266 CO 0.12 1.09 0.27 0.00 -2.18 0.00 0.00 179.01 178.32 1fur h ALA 267 N 0.88 0.70 0.10 2.92 0.00 -1.26 -2.51 119.26 120.08 1fur h ALA 267 Ca 0.09 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1fur h ALA 267 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1fur h ALA 267 CO 0.07 0.24 -1.40 -0.07 0.00 0.00 0.00 179.25 178.10 1fur h LEU 268 N 0.73 0.34 -0.04 0.00 3.38 -1.15 -3.36 115.31 115.20 1fur h LEU 268 Ca 0.19 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1fur h LEU 268 Cb 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1fur h LEU 268 CO -0.03 1.35 0.00 0.00 0.09 0.00 0.00 178.44 179.86 1fur n ALA 269 N -2.59 2.25 -2.24 1.53 0.00 -0.17 -2.14 120.51 117.15 1fur n ALA 269 Ca -0.12 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1fur n ALA 269 Cb 1.03 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 1fur n ALA 269 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fur s THR 270 N -3.10 0.00 -0.20 0.00 -4.23 -0.95 -3.60 115.64 103.56 1fur s THR 270 Ca 0.11 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.75 1fur s THR 270 Cb 0.13 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.90 1fur s THR 270 CO 0.58 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 175.86 1fur h ASP 272 N 1.23 0.67 -0.83 0.00 5.19 -1.89 -1.03 116.42 119.75 1fur h ASP 272 Ca 0.02 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1fur h ASP 272 Cb 1.21 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 1fur h ASP 272 CO 0.13 0.33 0.55 0.00 -3.12 0.00 0.00 179.24 177.13 1fur h ALA 273 N 1.53 1.44 0.02 3.45 0.00 -1.90 -1.48 119.26 122.32 1fur h ALA 273 Ca 0.46 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 1fur h ALA 273 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1fur h ALA 273 CO -0.31 0.50 -1.00 -0.07 0.00 0.00 0.00 179.25 178.38 1fur h LEU 274 N 1.08 0.09 -0.53 0.00 3.38 -1.62 -1.22 115.31 116.50 1fur h LEU 274 Ca 0.31 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1fur h LEU 274 Cb -0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1fur h LEU 274 CO -0.08 1.03 0.09 0.58 0.09 0.00 0.00 178.44 180.15 1fur h VAL 275 N 0.02 1.25 -0.10 1.22 2.07 -0.85 -0.63 116.25 119.24 1fur h VAL 275 Ca -0.03 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1fur h VAL 275 Cb 1.73 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1fur h VAL 275 CO 0.14 0.34 -0.19 1.56 0.02 0.00 0.00 177.57 179.44 1fur h GLN 276 N 0.76 0.30 -0.96 1.57 1.08 -1.29 -2.61 115.11 113.96 1fur h GLN 276 Ca 0.16 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1fur h GLN 276 Cb 0.40 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 1fur h GLN 276 CO 0.01 0.79 0.63 0.00 -0.95 0.00 0.00 178.83 179.31 1fur h ALA 277 N 0.51 1.35 0.00 3.87 0.00 -1.17 -0.66 119.26 123.16 1fur h ALA 277 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1fur h ALA 277 Cb 0.78 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1fur h ALA 277 CO 0.04 0.58 -0.20 1.25 0.00 0.00 0.00 179.25 180.93 1fur h HIS 278 N 1.25 0.00 -0.54 0.00 -0.00 -1.08 -2.01 115.15 112.77 1fur h HIS 278 Ca 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.70 1fur h HIS 278 Cb -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 1fur h HIS 278 CO -0.00 0.20 0.19 0.78 -0.00 0.00 0.00 177.93 179.10 1fur h GLY 279 N 1.53 0.85 1.64 5.26 0.00 -0.72 -0.18 103.07 111.45 1fur h GLY 279 Ca -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1fur h GLY 279 CO 0.03 0.42 -0.52 0.00 0.00 0.00 0.00 176.54 176.46 1fur h ALA 280 N 1.44 0.85 -0.38 3.60 0.00 -1.23 -2.76 119.26 120.77 1fur h ALA 280 Ca 0.18 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1fur h ALA 280 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fur h ALA 280 CO -0.01 0.68 -0.33 -0.07 0.00 0.00 0.00 179.25 179.52 1fur h LEU 281 N 0.30 0.95 -1.61 0.00 3.38 -1.10 -1.63 115.31 115.60 1fur h LEU 281 Ca 0.01 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1fur h LEU 281 Cb 1.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1fur h LEU 281 CO 0.09 1.20 -0.10 0.07 0.09 0.00 0.00 178.44 179.79 1fur h LYS 282 N 0.70 0.00 -0.14 1.13 5.09 -1.02 -0.09 116.57 122.24 1fur h LYS 282 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.69 1fur h LYS 282 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.25 1fur h LYS 282 CO 0.08 0.10 -0.35 0.78 -2.09 0.00 0.00 179.45 177.98 1fur h GLY 283 N 1.57 0.53 1.17 0.07 0.00 -1.16 -2.20 103.07 103.05 1fur h GLY 283 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 1fur h GLY 283 CO 0.01 0.59 0.32 -2.00 0.00 0.00 0.00 176.54 175.46 1fur h LEU 284 N 0.10 0.97 -1.01 3.11 5.85 -0.59 -2.12 115.31 121.62 1fur h LEU 284 Ca -0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1fur h LEU 284 Cb 0.96 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1fur h LEU 284 CO 0.08 0.84 0.48 0.00 -0.34 0.00 0.00 178.44 179.50 1fur h ALA 285 N 1.30 1.25 -0.55 1.25 0.00 -0.95 0.55 119.26 122.11 1fur h ALA 285 Ca 0.25 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1fur h ALA 285 Cb 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1fur h ALA 285 CO -0.03 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.78 1fur h ALA 286 N 1.35 0.84 -0.24 0.00 0.00 -0.90 -0.98 119.26 119.33 1fur h ALA 286 Ca 0.30 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 286 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1fur h ALA 286 CO -0.05 0.66 -0.04 0.77 0.00 0.00 0.00 179.25 180.59 1fur h SER 287 N 0.91 0.46 -0.62 0.00 0.02 -0.91 -2.81 113.55 110.59 1fur h SER 287 Ca 0.15 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1fur h SER 287 Cb 0.61 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 1fur h SER 287 CO 0.04 0.70 0.29 -0.07 -1.14 0.00 0.00 176.83 176.64 1fur h LEU 288 N 0.21 0.85 -0.50 5.07 3.38 -0.83 -1.59 115.31 121.90 1fur h LEU 288 Ca 0.06 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fur h LEU 288 Cb 0.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1fur h LEU 288 CO 0.02 0.74 0.30 -0.03 0.09 0.00 0.00 178.44 179.57 1fur h MET 289 N 0.93 0.59 -0.32 1.13 4.05 -1.09 0.35 114.93 120.57 1fur h MET 289 Ca 0.22 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1fur h MET 289 Cb 0.14 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1fur h MET 289 CO -0.02 0.39 0.01 -0.22 0.23 0.00 0.00 176.91 177.30 1fur h LYS 290 N 0.60 0.56 -0.21 0.39 3.11 -1.19 -1.46 116.57 118.37 1fur h LYS 290 Ca 0.20 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1fur h LYS 290 Cb 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 1fur h LYS 290 CO -0.09 0.68 0.12 0.82 -2.81 0.00 0.00 179.45 178.18 1fur h ILE 291 N 0.37 1.10 -0.77 2.00 2.04 -1.00 -0.63 117.51 120.62 1fur h ILE 291 Ca 0.09 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1fur h ILE 291 Cb 0.42 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1fur h ILE 291 CO 0.01 0.10 0.47 0.00 0.00 0.00 0.00 178.15 178.73 1fur h ALA 292 N 1.01 0.98 -0.49 1.87 0.00 -0.90 -1.70 119.26 120.03 1fur h ALA 292 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1fur h ALA 292 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1fur h ALA 292 CO -0.01 0.45 0.00 -0.91 0.00 0.00 0.00 179.25 178.78 1fur h ASN 293 N 1.06 0.85 -0.33 0.00 2.35 -1.06 -1.81 115.58 116.63 1fur h ASN 293 Ca 0.28 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1fur h ASN 293 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1fur h ASN 293 CO -0.05 0.95 0.15 0.44 -1.65 0.00 0.00 177.43 177.27 1fur h ASP 294 N 0.73 0.21 0.01 5.81 5.19 -0.78 -1.53 116.42 126.06 1fur h ASP 294 Ca 0.14 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1fur h ASP 294 Cb 0.51 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1fur h ASP 294 CO 0.02 0.16 -0.04 0.58 -3.12 0.00 0.00 179.24 176.85 1fur h VAL 295 N 0.32 0.91 -0.26 -1.35 2.07 -1.13 -0.22 116.25 116.58 1fur h VAL 295 Ca 0.14 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 1fur h VAL 295 Cb 0.07 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1fur h VAL 295 CO -0.11 0.00 -0.20 0.08 0.02 0.00 0.00 177.57 177.36 1fur h ARG 296 N -0.07 0.48 -0.23 1.57 0.11 -1.16 -1.68 114.38 113.40 1fur h ARG 296 Ca 0.01 -0.16 -0.14 0.00 0.10 0.00 0.00 59.98 59.80 1fur h ARG 296 Cb 0.08 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1fur h ARG 296 CO -0.03 0.66 -0.39 -1.49 0.10 0.00 0.00 179.97 178.82 1fur h TRP 297 N 0.43 0.83 0.00 4.08 4.06 -1.14 -1.68 115.95 122.53 1fur h TRP 297 Ca 0.07 -0.29 -0.03 0.00 2.06 0.00 0.00 58.89 60.70 1fur h TRP 297 Cb 0.60 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1fur h TRP 297 CO 0.02 1.05 -0.13 -0.07 -3.56 0.00 0.00 178.44 175.75 1fur h LEU 298 N 0.38 0.00 -1.85 -4.49 4.07 -0.86 -2.21 115.31 110.35 1fur h LEU 298 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1fur h LEU 298 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1fur h LEU 298 CO 0.09 0.13 0.00 0.00 -1.08 0.00 0.00 178.44 177.58 1fur n ALA 299 N -2.43 2.47 -1.78 1.53 0.00 -0.65 -0.20 120.51 119.46 1fur n ALA 299 Ca -0.02 -0.71 -0.41 0.00 0.00 0.00 0.00 53.44 52.30 1fur n ALA 299 Cb 0.21 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1fur n ALA 299 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fur s SER 300 N -1.90 6.47 0.00 0.00 1.04 -0.64 -4.56 113.70 114.11 1fur s SER 300 Ca 0.31 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.68 1fur s SER 300 Cb 0.21 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1fur s SER 300 CO 0.31 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1fur n GLY 301 N 0.58 -0.59 0.07 7.32 0.00 -1.26 -0.53 105.19 110.79 1fur n GLY 301 Ca 0.01 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1fur n GLY 301 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fur n PRO 302 N 0.00 0.16 -0.00 1.61 -0.04 -1.26 -4.68 135.00 130.78 1fur n PRO 302 Ca 0.00 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1fur n PRO 302 Cb 0.00 -1.72 -0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1fur n PRO 302 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fur n ARG 303 N -2.00 2.68 -0.82 0.54 5.12 -1.26 -4.81 116.66 116.11 1fur n ARG 303 Ca 0.05 -0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.92 1fur n ARG 303 Cb 0.34 -1.01 0.20 0.00 -1.16 0.00 0.00 32.46 30.83 1fur n ARG 303 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fur n GLY 305 N -1.13 5.44 0.10 0.00 0.00 -1.26 -4.89 105.19 103.44 1fur n GLY 305 Ca 0.33 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1fur n GLY 305 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fur n ILE 306 N 0.00 1.50 -2.40 -0.61 5.41 -0.95 -4.91 119.36 117.40 1fur n ILE 306 Ca 0.00 0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.56 1fur n ILE 306 Cb 0.00 -2.13 -0.01 0.00 -0.71 0.00 0.00 39.64 36.80 1fur n ILE 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fur n GLY 307 N 1.46 -0.49 0.15 7.39 0.00 0.31 -4.90 105.19 109.11 1fur n GLY 307 Ca -0.27 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.76 1fur n GLY 307 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fur h GLU 308 N 0.00 0.00 -5.04 1.61 5.08 -0.88 -3.43 114.58 111.92 1fur h GLU 308 Ca -0.47 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.54 1fur h GLU 308 Cb 1.34 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 1fur h GLU 308 CO 0.55 0.55 -0.67 0.96 -1.00 0.00 0.00 179.01 179.40 1fur s ILE 309 N -3.30 1.00 0.05 3.13 -4.36 -0.97 -0.38 121.20 116.37 1fur s ILE 309 Ca 0.01 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 1fur s ILE 309 Cb 0.10 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 1fur s ILE 309 CO 0.73 -0.44 -0.22 -0.94 0.24 0.00 0.00 174.94 174.31 1fur s SER 310 N -3.26 2.69 0.21 4.36 1.04 0.85 -4.20 113.70 115.39 1fur s SER 310 Ca 0.25 -0.55 0.10 0.00 0.48 0.00 0.00 55.95 56.23 1fur s SER 310 Cb 0.05 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1fur s SER 310 CO 0.06 0.19 -0.20 0.27 0.98 0.00 0.00 173.24 174.53 1fur s ILE 311 N -0.82 2.17 0.22 -1.02 -4.36 -1.26 -1.66 121.20 114.46 1fur s ILE 311 Ca 0.09 -2.10 -0.32 0.00 -0.26 0.00 0.00 60.65 58.06 1fur s ILE 311 Cb -0.09 -2.07 -0.13 0.00 1.25 0.00 0.00 42.46 41.42 1fur s ILE 311 CO 0.02 -0.28 1.60 -2.65 0.24 0.00 0.00 174.94 173.86 1fur n PRO 312 N 0.01 2.43 -3.07 0.37 -0.02 -1.26 -4.95 135.00 128.52 1fur n PRO 312 Ca -0.11 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1fur n PRO 312 Cb 0.58 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1fur n PRO 312 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fur s GLU 313 N 0.47 3.79 -0.14 -0.52 2.12 -1.26 -4.93 118.70 118.22 1fur s GLU 313 Ca 0.73 0.23 0.19 0.00 0.36 0.00 0.00 54.97 56.48 1fur s GLU 313 Cb -0.58 -3.78 -0.27 0.00 0.26 0.00 0.00 34.13 29.76 1fur s GLU 313 CO 0.40 -0.70 0.22 0.09 -0.54 0.00 0.00 175.26 174.74 1fur n ASN 314 N 6.08 0.06 -4.51 -1.70 3.02 -1.26 -4.98 115.26 111.97 1fur n ASN 314 Ca 0.00 0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.34 1fur n ASN 314 Cb 0.49 1.19 -0.09 0.00 -0.61 0.00 0.00 39.78 40.75 1fur n ASN 314 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1fur s GLU 315 N -2.78 1.82 0.64 3.52 8.01 -1.26 -5.24 118.70 123.41 1fur s GLU 315 Ca -0.09 -1.68 -0.15 0.00 0.01 0.00 0.00 54.97 53.06 1fur s GLU 315 Cb 0.08 -1.86 -0.01 0.00 -4.31 0.00 0.00 34.13 28.03 1fur s GLU 315 CO 0.85 0.34 1.09 -1.25 0.01 0.00 0.00 175.26 176.30 1fur s PRO 316 N -3.52 2.94 -0.56 0.39 0.04 -1.26 -5.03 135.00 128.01 1fur s PRO 316 Ca 0.30 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1fur s PRO 316 Cb -0.05 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1fur s PRO 316 CO 0.16 -1.13 0.64 -1.33 0.04 0.00 0.00 177.00 175.38 1fur n MET 321 N -2.35 -1.94 0.22 4.56 2.00 -1.26 -5.11 117.12 113.24 1fur n MET 321 Ca 0.10 1.76 -0.15 0.00 0.00 0.00 0.00 57.70 59.41 1fur n MET 321 Cb 0.52 -5.07 -0.08 0.00 0.00 0.00 0.00 33.22 28.59 1fur n MET 321 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1fur h PRO 322 N 1.36 -0.77 -0.60 0.03 0.11 -2.08 -3.20 132.00 126.86 1fur h PRO 322 Ca -0.11 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1fur h PRO 322 Cb 1.07 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1fur h PRO 322 CO 0.25 -0.52 0.00 0.41 -0.21 0.00 0.00 178.00 177.93 1fur n GLY 323 N -1.46 1.73 3.58 -0.55 0.00 -1.26 -4.88 105.19 102.36 1fur n GLY 323 Ca -0.10 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1fur n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fur s LYS 324 N -1.73 3.19 -0.42 1.61 2.20 -1.21 -4.37 119.74 119.01 1fur s LYS 324 Ca 0.31 0.96 0.01 0.00 -0.36 0.00 0.00 55.97 56.89 1fur s LYS 324 Cb 0.20 -4.20 0.11 0.00 -1.51 0.00 0.00 37.83 32.43 1fur s LYS 324 CO 0.15 -2.04 0.17 0.08 -0.36 0.00 0.00 175.35 173.35 1fur s VAL 325 N 7.04 2.82 0.16 4.02 1.01 -1.26 -5.09 120.40 129.09 1fur s VAL 325 Ca 0.68 -2.44 -0.31 0.00 0.00 0.00 0.00 61.98 59.91 1fur s VAL 325 Cb -0.16 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 1fur s VAL 325 CO 0.29 -0.69 1.34 0.20 0.00 0.00 0.00 175.10 176.24 1fur s ASN 326 N 1.04 6.87 -1.47 3.32 0.01 -1.26 -4.90 114.94 118.54 1fur s ASN 326 Ca 0.11 2.36 -0.13 0.00 -0.71 0.00 0.00 52.86 54.49 1fur s ASN 326 Cb -0.21 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 38.85 1fur s ASN 326 CO -0.05 -0.58 2.41 -0.81 -1.51 0.00 0.00 177.10 176.55 1fur n PRO 327 N 3.25 3.01 -0.20 -0.60 -0.04 -1.26 -4.77 135.00 134.40 1fur n PRO 327 Ca 0.09 -2.45 -0.01 0.00 -0.04 0.00 0.00 63.50 61.08 1fur n PRO 327 Cb 0.43 -3.14 0.20 0.00 -0.04 0.00 0.00 33.50 30.95 1fur n PRO 327 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1fur h THR 328 N 3.75 1.21 -0.49 0.52 1.35 -1.96 -1.47 112.91 115.83 1fur h THR 328 Ca 0.64 -0.56 -0.06 0.00 -0.55 0.00 0.00 66.41 65.88 1fur h THR 328 Cb 0.54 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 1fur h THR 328 CO 1.86 0.24 0.05 1.56 -0.25 0.00 0.00 175.52 178.99 1fur h GLN 329 N 0.97 0.79 -0.25 4.72 1.08 -1.94 -0.93 115.11 119.56 1fur h GLN 329 Ca 0.24 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.15 1fur h GLN 329 Cb 0.05 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1fur h GLN 329 CO -0.04 0.76 -0.31 0.00 -0.95 0.00 0.00 178.83 178.29 1fur h GLU 331 N 0.44 0.94 -0.40 0.00 5.08 -0.75 -0.61 114.58 119.28 1fur h GLU 331 Ca 0.05 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1fur h GLU 331 Cb 0.77 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1fur h GLU 331 CO 0.06 1.09 0.03 0.00 -1.00 0.00 0.00 179.01 179.19 1fur h ALA 332 N 0.83 0.53 -0.35 3.43 0.00 -1.04 -2.18 119.26 120.49 1fur h ALA 332 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1fur h ALA 332 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1fur h ALA 332 CO 0.07 0.27 0.12 1.25 0.00 0.00 0.00 179.25 180.97 1fur h LEU 333 N 0.51 0.50 -0.97 0.00 5.85 -1.20 -2.04 115.31 117.96 1fur h LEU 333 Ca 0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1fur h LEU 333 Cb 0.42 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1fur h LEU 333 CO 0.01 0.55 -0.12 0.71 -0.34 0.00 0.00 178.44 179.25 1fur h THR 334 N 0.41 1.24 -0.45 1.05 1.35 -1.10 -1.99 112.91 113.43 1fur h THR 334 Ca 0.11 -1.09 -0.03 0.00 -0.55 0.00 0.00 66.41 64.85 1fur h THR 334 Cb 0.22 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 1fur h THR 334 CO -0.01 0.36 0.15 0.24 -0.25 0.00 0.00 175.52 176.01 1fur h MET 335 N 0.56 0.70 0.00 4.72 2.86 -1.16 -2.68 114.93 119.92 1fur h MET 335 Ca 0.10 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1fur h MET 335 Cb 0.54 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1fur h MET 335 CO 0.03 0.67 -0.34 1.37 1.06 0.00 0.00 176.91 179.70 1fur h LEU 336 N 0.59 0.00 -0.87 1.22 8.10 -1.20 -2.57 115.31 120.58 1fur h LEU 336 Ca 0.15 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.04 1fur h LEU 336 Cb 0.26 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 1fur h LEU 336 CO -0.01 0.34 -0.18 0.00 -4.11 0.00 0.00 178.44 174.48 1fur h GLN 339 N 0.88 0.65 -0.61 0.00 5.75 -1.04 -1.57 115.11 119.17 1fur h GLN 339 Ca 0.15 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1fur h GLN 339 Cb 0.61 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1fur h GLN 339 CO 0.04 0.44 0.39 0.28 -2.65 0.00 0.00 178.83 177.33 1fur h VAL 340 N 0.66 1.17 -0.35 2.39 2.07 -1.02 0.73 116.25 121.91 1fur h VAL 340 Ca 0.18 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1fur h VAL 340 Cb -0.06 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1fur h VAL 340 CO -0.04 0.17 0.06 -0.03 0.02 0.00 0.00 177.57 177.75 1fur h MET 341 N 0.84 0.57 -0.43 1.57 4.05 -0.97 -1.56 114.93 119.00 1fur h MET 341 Ca 0.22 -0.15 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 1fur h MET 341 Cb -0.07 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1fur h MET 341 CO -0.05 0.64 -0.08 0.78 0.23 0.00 0.00 176.91 178.44 1fur h GLY 342 N 0.41 0.89 0.90 1.39 0.00 -0.78 -2.91 103.07 102.97 1fur h GLY 342 Ca 0.11 -0.72 0.09 0.00 0.00 0.00 0.00 47.33 46.81 1fur h GLY 342 CO 0.01 0.66 0.49 3.43 0.00 0.00 0.00 176.54 181.13 1fur h ASN 343 N 0.65 0.61 -0.73 0.19 2.35 -0.69 -2.01 115.58 115.95 1fur h ASN 343 Ca 0.11 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1fur h ASN 343 Cb 0.61 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1fur h ASN 343 CO 0.04 0.37 0.41 -0.78 -1.65 0.00 0.00 177.43 175.81 1fur h ASP 344 N 0.68 0.91 -0.48 5.81 3.58 -1.08 -1.20 116.42 124.65 1fur h ASP 344 Ca 0.34 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 1fur h ASP 344 Cb 0.44 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1fur h ASP 344 CO -0.12 0.74 0.16 0.58 -2.88 0.00 0.00 179.24 177.72 1fur h VAL 345 N 1.01 1.22 -0.69 2.25 2.07 -1.36 0.66 116.25 121.42 1fur h VAL 345 Ca 0.26 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1fur h VAL 345 Cb 0.03 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1fur h VAL 345 CO -0.04 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.17 1fur h ALA 346 N 1.01 0.89 -0.35 1.67 0.00 -1.20 -0.67 119.26 120.60 1fur h ALA 346 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1fur h ALA 346 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1fur h ALA 346 CO -0.01 0.43 0.07 0.82 0.00 0.00 0.00 179.25 180.56 1fur h ILE 347 N 0.96 1.23 -0.55 0.00 2.04 -0.95 -1.94 117.51 118.31 1fur h ILE 347 Ca 0.24 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1fur h ILE 347 Cb 0.08 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1fur h ILE 347 CO -0.03 0.27 0.34 0.78 0.00 0.00 0.00 178.15 179.51 1fur h ASN 348 N 0.42 0.64 -0.34 1.72 2.35 -0.59 0.24 115.58 120.03 1fur h ASN 348 Ca 0.11 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1fur h ASN 348 Cb 0.33 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1fur h ASN 348 CO 0.00 0.49 0.22 0.24 -1.65 0.00 0.00 177.43 176.74 1fur h MET 349 N 0.74 0.44 -0.40 0.81 2.86 -0.97 -0.31 114.93 118.11 1fur h MET 349 Ca 0.20 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1fur h MET 349 Cb -0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1fur h MET 349 CO -0.04 0.29 -0.18 0.78 1.06 0.00 0.00 176.91 178.83 1fur h GLY 350 N 0.46 0.82 1.62 8.32 0.00 -0.99 -2.94 103.07 110.36 1fur h GLY 350 Ca 0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1fur h GLY 350 CO -0.03 0.60 -0.30 -1.33 0.00 0.00 0.00 176.54 175.49 1fur h GLY 351 N 0.97 0.48 1.73 4.60 0.00 -0.20 -2.71 103.07 107.95 1fur h GLY 351 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1fur h GLY 351 CO 0.05 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.96 1fur n ALA 352 N -2.49 2.41 -0.88 3.60 0.00 -0.15 -4.08 120.51 118.92 1fur n ALA 352 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.38 1fur n ALA 352 Cb 0.43 -1.48 0.39 0.00 0.00 0.00 0.00 19.45 18.79 1fur n ALA 352 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fur n SER 353 N -1.37 5.55 -4.76 0.00 7.64 -1.02 -5.00 113.62 114.66 1fur n SER 353 Ca 0.11 -2.89 -0.34 0.00 1.01 0.00 0.00 58.87 56.77 1fur n SER 353 Cb 0.28 -0.67 0.05 0.00 -1.01 0.00 0.00 64.21 62.86 1fur n SER 353 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1fur s GLY 354 N -0.87 2.35 -0.08 0.23 0.00 -1.26 -4.78 107.32 102.91 1fur s GLY 354 Ca 0.54 0.72 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 1fur s GLY 354 CO 0.17 1.09 -0.03 -1.31 0.00 0.00 0.00 173.10 173.02 1fur s ASN 355 N -2.20 1.61 1.65 1.64 0.02 -1.18 -5.00 114.94 111.48 1fur s ASN 355 Ca 0.71 -0.15 0.00 0.00 -1.02 0.00 0.00 52.86 52.40 1fur s ASN 355 Cb -0.24 -0.55 0.00 0.00 0.02 0.00 0.00 41.25 40.48 1fur s ASN 355 CO 0.39 -0.14 0.00 0.49 0.02 0.00 0.00 177.10 177.85 1fur n PHE 356 N 4.86 0.00 1.38 2.20 3.72 -1.26 -2.72 117.46 125.64 1fur n PHE 356 Ca -0.12 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.42 1fur n PHE 356 Cb 0.50 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.60 1fur n PHE 356 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1fur n GLU 357 N 9.97 0.79 -3.72 -1.08 4.71 -1.26 -4.76 120.64 125.29 1fur n GLU 357 Ca 0.00 -0.33 -0.12 0.00 -0.01 0.00 0.00 57.16 56.69 1fur n GLU 357 Cb 0.00 -1.49 -0.10 0.00 -1.01 0.00 0.00 31.44 28.84 1fur n GLU 357 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1fur s LEU 358 N -2.44 0.23 -0.26 -4.62 2.96 -1.10 -3.50 118.68 109.96 1fur s LEU 358 Ca 0.29 0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 54.90 1fur s LEU 358 Cb 0.20 1.45 -0.03 0.00 0.50 0.00 0.00 46.19 48.31 1fur s LEU 358 CO 0.48 -0.16 0.49 0.21 -1.32 0.00 0.00 176.35 176.05 1fur s ASN 359 N 0.53 6.42 -0.59 3.68 3.84 -0.91 -3.10 114.94 124.81 1fur s ASN 359 Ca -0.02 0.50 0.02 0.00 0.21 0.00 0.00 52.86 53.56 1fur s ASN 359 Cb -0.04 -2.27 0.41 0.00 -0.55 0.00 0.00 41.25 38.80 1fur s ASN 359 CO -0.03 -0.26 1.63 1.33 -2.79 0.00 0.00 177.10 176.98 1fur n VAL 360 N 5.08 3.08 -1.50 -5.21 0.24 -1.26 -4.37 118.33 114.38 1fur n VAL 360 Ca -0.05 -4.14 0.06 0.00 -2.04 0.00 0.00 64.34 58.17 1fur n VAL 360 Cb 0.50 -1.21 0.09 0.00 -1.47 0.00 0.00 33.84 31.75 1fur n VAL 360 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fur n PHE 361 N -0.64 0.00 -0.02 6.34 3.01 -1.20 -4.19 117.46 120.76 1fur n PHE 361 Ca 0.50 -0.70 -0.11 0.00 1.01 0.00 0.00 57.45 58.15 1fur n PHE 361 Cb 0.58 -0.13 -0.05 0.00 -0.01 0.00 0.00 39.48 39.87 1fur n PHE 361 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fur h ARG 362 N 0.15 0.17 -0.92 -1.08 3.08 -1.65 -2.36 114.38 111.77 1fur h ARG 362 Ca -0.01 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1fur h ARG 362 Cb 1.18 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 1fur h ARG 362 CO 0.01 0.21 0.59 -1.35 -1.07 0.00 0.00 179.97 178.35 1fur h PRO 363 N 0.09 1.07 -0.46 0.04 0.11 -1.85 -1.30 132.00 129.70 1fur h PRO 363 Ca 0.04 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1fur h PRO 363 Cb 0.09 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1fur h PRO 363 CO -0.01 0.71 0.15 1.98 -0.21 0.00 0.00 178.00 180.63 1fur h MET 364 N 1.11 0.71 -0.21 1.05 1.85 -1.78 -0.65 114.93 117.00 1fur h MET 364 Ca 0.38 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 59.32 1fur h MET 364 Cb 0.09 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 1fur h MET 364 CO -0.15 0.67 0.11 0.28 -0.40 0.00 0.00 176.91 177.43 1fur h VAL 365 N 0.60 1.12 -0.09 -5.77 2.07 -1.03 -2.15 116.25 111.00 1fur h VAL 365 Ca 0.15 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1fur h VAL 365 Cb 0.26 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1fur h VAL 365 CO -0.01 0.12 -0.45 -0.29 0.02 0.00 0.00 177.57 176.96 1fur h ILE 366 N 0.22 1.33 0.22 4.57 6.09 -1.17 -1.20 117.51 127.57 1fur h ILE 366 Ca 0.07 -1.62 -0.00 0.00 -1.37 0.00 0.00 64.86 61.94 1fur h ILE 366 Cb 0.09 1.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1fur h ILE 366 CO -0.01 0.48 -0.15 -0.74 -3.07 0.00 0.00 178.15 174.66 1fur h HIS 367 N 0.18 -0.40 -0.59 2.19 2.76 -0.90 -1.13 115.15 117.26 1fur h HIS 367 Ca 0.01 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1fur h HIS 367 Cb 0.87 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 1fur h HIS 367 CO 0.01 -0.24 0.11 -0.91 -1.30 0.00 0.00 177.93 175.60 1fur h ASN 368 N -0.37 0.93 0.00 3.26 4.21 -1.24 -2.40 115.58 119.97 1fur h ASN 368 Ca -0.02 -0.25 -0.00 0.00 1.21 0.00 0.00 56.30 57.24 1fur h ASN 368 Cb 0.32 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1fur h ASN 368 CO 0.01 0.95 -0.00 0.15 -1.29 0.00 0.00 177.43 177.24 1fur h PHE 369 N 0.88 -0.01 -0.07 1.19 3.04 -1.08 -1.53 116.94 119.37 1fur h PHE 369 Ca 0.18 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.06 1fur h PHE 369 Cb 0.41 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1fur h PHE 369 CO 0.03 0.16 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.12 1fur h LEU 370 N -0.17 0.12 -0.29 0.59 3.38 -1.25 -2.19 115.31 115.51 1fur h LEU 370 Ca -0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1fur h LEU 370 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1fur h LEU 370 CO 0.00 0.42 0.04 -0.61 0.09 0.00 0.00 178.44 178.38 1fur h GLN 371 N 0.11 0.48 -0.89 1.13 4.15 -1.23 -1.48 115.11 117.39 1fur h GLN 371 Ca 0.02 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.31 1fur h GLN 371 Cb 0.58 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1fur h GLN 371 CO 0.04 0.60 0.59 0.77 -1.93 0.00 0.00 178.83 178.90 1fur h SER 372 N 0.29 1.03 -0.35 -0.69 0.02 -0.98 0.08 113.55 112.96 1fur h SER 372 Ca 0.09 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1fur h SER 372 Cb 0.36 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1fur h SER 372 CO 0.01 0.75 0.03 0.58 -1.14 0.00 0.00 176.83 177.06 1fur h VAL 373 N 1.22 1.25 -0.03 2.27 2.07 -1.22 -1.48 116.25 120.33 1fur h VAL 373 Ca 0.33 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1fur h VAL 373 Cb -0.13 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1fur h VAL 373 CO -0.07 0.30 -0.00 0.03 0.02 0.00 0.00 177.57 177.85 1fur h ARG 374 N 0.41 0.01 -0.12 1.57 3.08 -0.82 -0.84 114.38 117.68 1fur h ARG 374 Ca 0.10 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1fur h ARG 374 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1fur h ARG 374 CO 0.01 0.00 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.81 1fur h LEU 375 N 0.01 -0.14 -0.25 3.04 3.38 -0.92 -0.72 115.31 119.70 1fur h LEU 375 Ca 0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1fur h LEU 375 Cb 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1fur h LEU 375 CO -0.03 -0.05 0.03 -0.07 0.09 0.00 0.00 178.44 178.41 1fur h LEU 376 N -0.02 0.42 0.56 1.67 3.38 -1.20 0.20 115.31 120.31 1fur h LEU 376 Ca 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1fur h LEU 376 Cb 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1fur h LEU 376 CO -0.13 0.59 -0.27 0.00 0.09 0.00 0.00 178.44 178.72 1fur h ALA 377 N 0.84 -0.75 -0.51 1.53 0.00 -1.09 -0.97 119.26 118.32 1fur h ALA 377 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1fur h ALA 377 Cb 0.36 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1fur h ALA 377 CO 0.01 -0.85 0.11 -0.44 0.00 0.00 0.00 179.25 178.07 1fur h ASP 378 N -0.88 0.72 -0.36 0.00 3.32 -1.18 -1.21 116.42 116.83 1fur h ASP 378 Ca -0.08 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1fur h ASP 378 Cb 0.62 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1fur h ASP 378 CO 0.13 0.72 0.16 1.23 -1.72 0.00 0.00 179.24 179.76 1fur h GLY 379 N 0.94 0.57 1.07 2.75 0.00 -0.55 0.88 103.07 108.73 1fur h GLY 379 Ca 0.16 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1fur h GLY 379 CO 0.00 0.28 -0.04 -0.33 0.00 0.00 0.00 176.54 176.46 1fur h MET 380 N 0.44 1.01 -0.43 4.80 2.86 -0.94 -0.16 114.93 122.50 1fur h MET 380 Ca 0.12 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1fur h MET 380 Cb 0.16 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1fur h MET 380 CO -0.01 1.02 0.24 1.49 1.06 0.00 0.00 176.91 180.71 1fur h GLU 381 N 0.89 0.60 -0.06 1.72 4.81 -0.99 0.71 114.58 122.26 1fur h GLU 381 Ca 0.15 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1fur h GLU 381 Cb 0.59 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1fur h GLU 381 CO 0.04 0.47 -0.00 1.03 -0.73 0.00 0.00 179.01 179.82 1fur h SER 382 N 0.57 0.11 -0.85 1.04 0.87 -0.70 -2.42 113.55 112.17 1fur h SER 382 Ca 0.15 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1fur h SER 382 Cb 0.04 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1fur h SER 382 CO -0.03 0.41 0.57 0.15 -0.53 0.00 0.00 176.83 177.40 1fur h PHE 383 N -0.18 1.07 0.57 2.24 3.57 -0.94 -0.03 116.94 123.24 1fur h PHE 383 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1fur h PHE 383 Cb 0.35 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 38.73 1fur h PHE 383 CO 0.04 0.68 -0.27 -0.97 -2.23 0.00 0.00 178.31 175.55 1fur h ASN 384 N 1.16 -0.65 0.72 0.41 -0.73 -0.80 -0.21 115.58 115.48 1fur h ASN 384 Ca 0.31 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.36 1fur h ASN 384 Cb -0.13 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1fur h ASN 384 CO -0.07 -0.29 -0.38 0.07 -0.37 0.00 0.00 177.43 176.39 1fur h LYS 385 N -1.06 0.00 -0.19 6.67 2.10 -1.34 -1.98 116.57 120.77 1fur h LYS 385 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1fur h LYS 385 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1fur h LYS 385 CO 0.13 0.38 0.00 0.72 -2.00 0.00 0.00 179.45 178.68 1fur n HIS 386 N -3.64 0.23 0.09 0.07 8.25 -0.03 -4.78 115.22 115.40 1fur n HIS 386 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1fur n HIS 386 Cb 0.49 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1fur n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fur h ALA 388 N 0.00 0.58 0.00 0.00 0.00 -0.88 -1.61 119.26 117.34 1fur h ALA 388 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fur h ALA 388 Cb 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fur h ALA 388 CO 0.00 -0.40 -0.02 -0.39 0.00 0.00 0.00 179.25 178.44 1fur h VAL 389 N 0.10 0.31 -0.33 0.00 -1.51 -1.63 -2.91 116.25 110.28 1fur h VAL 389 Ca 0.32 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 1fur h VAL 389 Cb 0.51 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1fur h VAL 389 CO -0.53 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 176.43 1fur n GLY 390 N -1.06 3.36 3.71 5.19 0.00 -0.62 -5.00 105.19 110.77 1fur n GLY 390 Ca -0.03 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1fur n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fur s ILE 391 N -1.94 2.67 0.01 -0.61 1.01 -1.10 -4.40 121.20 116.84 1fur s ILE 391 Ca 0.35 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.44 1fur s ILE 391 Cb 0.24 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 1fur s ILE 391 CO 0.13 0.02 -0.11 -1.61 0.00 0.00 0.00 174.94 173.38 1fur s GLU 392 N 1.54 0.81 0.31 2.79 0.41 -0.67 -4.99 118.70 118.91 1fur s GLU 392 Ca 0.72 -0.52 -0.23 0.00 -0.41 0.00 0.00 54.97 54.53 1fur s GLU 392 Cb -0.43 -0.78 -0.10 0.00 -1.78 0.00 0.00 34.13 31.04 1fur s GLU 392 CO 0.32 0.20 0.88 -1.25 -0.49 0.00 0.00 175.26 174.92 1fur s PRO 393 N -0.64 4.43 -1.10 0.39 0.04 -1.26 -0.11 135.00 136.76 1fur s PRO 393 Ca 0.02 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 1fur s PRO 393 Cb -0.06 -2.74 0.27 0.00 0.04 0.00 0.00 34.50 32.02 1fur s PRO 393 CO 0.00 0.27 1.09 -0.80 0.04 0.00 0.00 177.00 177.61 1fur s ASN 394 N -1.71 7.27 0.32 6.66 0.01 0.49 -4.84 114.94 123.13 1fur s ASN 394 Ca 0.50 -3.57 0.09 0.00 -0.71 0.00 0.00 52.86 49.16 1fur s ASN 394 Cb -0.17 -2.20 0.85 0.00 0.41 0.00 0.00 41.25 40.14 1fur s ASN 394 CO 0.22 -0.29 1.75 0.03 -1.51 0.00 0.00 177.10 177.29 1fur h ARG 395 N 6.68 0.62 -0.30 -0.60 3.08 -1.94 -0.17 114.38 121.74 1fur h ARG 395 Ca 0.18 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1fur h ARG 395 Cb 0.88 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1fur h ARG 395 CO 1.00 0.41 0.01 1.05 -1.07 0.00 0.00 179.97 181.37 1fur h GLU 396 N 0.64 0.53 -0.43 0.04 -0.00 -1.97 -1.49 114.58 111.90 1fur h GLU 396 Ca 0.62 -0.16 -0.05 0.00 -0.00 0.00 0.00 59.36 59.76 1fur h GLU 396 Cb 1.12 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.80 1fur h GLU 396 CO -0.43 0.66 0.08 -0.09 -0.00 0.00 0.00 179.01 179.24 1fur h ARG 397 N 0.33 0.71 -0.57 1.06 9.65 -1.61 -0.35 114.38 123.59 1fur h ARG 397 Ca 0.09 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1fur h ARG 397 Cb 0.42 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1fur h ARG 397 CO 0.01 0.74 0.34 0.82 2.80 0.00 0.00 179.97 184.68 1fur h ILE 398 N 0.57 1.04 -0.30 1.20 2.04 -1.01 -1.19 117.51 119.86 1fur h ILE 398 Ca 0.13 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.63 1fur h ILE 398 Cb 0.37 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1fur h ILE 398 CO 0.01 0.12 -0.35 0.78 0.00 0.00 0.00 178.15 178.70 1fur h ASN 399 N 0.66 0.71 -0.37 1.72 2.35 -1.04 -1.82 115.58 117.79 1fur h ASN 399 Ca 0.24 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1fur h ASN 399 Cb 0.05 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1fur h ASN 399 CO -0.11 1.00 0.21 -0.61 -1.65 0.00 0.00 177.43 176.27 1fur h GLN 400 N 0.57 0.52 -0.31 0.81 4.15 -0.63 -1.49 115.11 118.73 1fur h GLN 400 Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1fur h GLN 400 Cb 0.87 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1fur h GLN 400 CO 0.08 0.42 0.15 -0.07 -1.93 0.00 0.00 178.83 177.48 1fur h LEU 401 N 0.48 0.40 -0.31 -2.39 3.38 -1.09 -1.99 115.31 113.79 1fur h LEU 401 Ca 0.13 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1fur h LEU 401 Cb 0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1fur h LEU 401 CO -0.02 0.41 0.03 -0.07 0.09 0.00 0.00 178.44 178.88 1fur h LEU 402 N 0.37 -0.05 -1.23 1.67 3.38 -1.11 -2.32 115.31 116.01 1fur h LEU 402 Ca 0.11 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1fur h LEU 402 Cb 0.11 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1fur h LEU 402 CO -0.01 0.01 -0.10 0.78 0.09 0.00 0.00 178.44 179.20 1fur h ASN 403 N 0.13 0.00 0.48 -0.43 2.35 -1.16 -3.00 115.58 113.95 1fur h ASN 403 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1fur h ASN 403 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1fur h ASN 403 CO -0.22 0.10 -0.53 -0.62 -1.65 0.00 0.00 177.43 174.51 1fur n GLU 404 N -3.23 0.01 -1.84 0.81 1.02 -0.76 -4.66 120.64 111.99 1fur n GLU 404 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1fur n GLU 404 Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1fur n GLU 404 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1fur s SER 405 N -3.04 4.88 0.00 1.62 1.04 -0.92 -4.88 113.70 112.40 1fur s SER 405 Ca 0.11 1.01 0.20 0.00 0.48 0.00 0.00 55.95 57.75 1fur s SER 405 Cb 0.17 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1fur s SER 405 CO 0.71 -1.69 0.99 0.18 0.98 0.00 0.00 173.24 174.41 1fur n LEU 406 N -3.21 1.77 0.29 2.42 4.77 -1.26 -4.54 117.00 117.24 1fur n LEU 406 Ca 0.07 -0.72 0.19 0.00 -0.03 0.00 0.00 56.01 55.52 1fur n LEU 406 Cb 0.59 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.50 1fur n LEU 406 CO 0.57 0.34 1.04 0.24 -1.33 0.00 0.00 177.39 178.25 1fur h MET 407 N 1.92 0.00 -0.01 3.23 2.86 -1.91 -3.00 114.93 118.03 1fur h MET 407 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1fur h MET 407 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1fur h MET 407 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1fur n LEU 408 N -3.06 0.29 0.02 1.22 4.77 -1.26 -4.03 117.00 114.96 1fur n LEU 408 Ca -0.00 -0.10 0.16 0.00 -0.03 0.00 0.00 56.01 56.03 1fur n LEU 408 Cb 0.24 -0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.95 1fur n LEU 408 CO 0.25 0.05 1.16 1.62 -1.33 0.00 0.00 177.39 179.14 1fur h VAL 409 N 0.44 0.83 -1.03 4.08 3.04 -1.88 -2.54 116.25 119.19 1fur h VAL 409 Ca 0.00 -0.04 0.26 0.00 -1.01 0.00 0.00 66.70 65.91 1fur h VAL 409 Cb 0.09 0.70 -0.09 0.00 -2.01 0.00 0.00 31.29 29.99 1fur h VAL 409 CO 0.00 0.02 0.67 0.74 -1.01 0.00 0.00 177.57 177.99 1fur h THR 410 N 0.12 0.54 0.00 3.17 2.02 -1.86 -0.50 112.91 116.40 1fur h THR 410 Ca 0.21 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1fur h THR 410 Cb 0.70 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1fur h THR 410 CO -0.02 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1fur n ALA 411 N -2.49 1.45 0.12 6.16 0.00 -0.96 -2.31 120.51 122.48 1fur n ALA 411 Ca 0.24 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.89 1fur n ALA 411 Cb 0.87 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.98 1fur n ALA 411 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fur h LEU 412 N 0.00 0.00 -0.53 0.00 3.38 -1.29 -3.39 115.31 113.48 1fur h LEU 412 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1fur h LEU 412 Cb 0.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 1fur h LEU 412 CO 0.00 0.16 -0.17 0.78 0.09 0.00 0.00 178.44 179.30 1fur h ASN 413 N 0.00 -0.60 0.63 -0.43 4.21 -1.57 0.30 115.58 118.11 1fur h ASN 413 Ca -0.03 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1fur h ASN 413 Cb 1.15 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 38.72 1fur h ASN 413 CO 0.02 -0.21 0.00 0.35 -1.29 0.00 0.00 177.43 176.30 1fur n THR 414 N -5.39 0.90 -0.12 2.81 -2.24 -1.26 -0.83 114.28 108.14 1fur n THR 414 Ca 0.05 0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.92 1fur n THR 414 Cb 0.30 -1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 67.26 1fur n THR 414 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1fur n HIS 415 N -2.06 0.00 -0.11 4.78 8.25 -0.24 -4.75 115.22 121.09 1fur n HIS 415 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1fur n HIS 415 Cb 0.20 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.37 1fur n HIS 415 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1fur n ILE 416 N -3.27 0.04 0.00 1.59 -5.35 -0.07 -5.13 119.36 107.17 1fur n ILE 416 Ca -0.44 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 1fur n ILE 416 Cb 0.95 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.94 1fur n ILE 416 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fur n GLY 417 N -0.02 -0.20 0.23 3.28 0.00 -0.01 -4.49 105.19 103.98 1fur n GLY 417 Ca 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 1fur n GLY 417 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1fur h TYR 418 N 0.00 0.75 -0.55 1.61 5.03 -1.91 -2.69 116.97 119.21 1fur h TYR 418 Ca 0.00 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.31 1fur h TYR 418 Cb 0.00 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.01 1fur h TYR 418 CO 0.00 0.54 0.34 -0.44 -1.32 0.00 0.00 178.16 177.29 1fur h ASP 419 N 0.73 0.57 -0.13 -2.11 3.32 -1.97 -0.14 116.42 116.70 1fur h ASP 419 Ca 0.19 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1fur h ASP 419 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1fur h ASP 419 CO -0.03 0.40 -0.49 0.11 -1.72 0.00 0.00 179.24 177.51 1fur h LYS 420 N 0.68 0.70 -0.35 3.56 1.57 -1.78 -2.05 116.57 118.90 1fur h LYS 420 Ca 0.21 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1fur h LYS 420 Cb -0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1fur h LYS 420 CO -0.08 1.03 0.20 0.00 -0.57 0.00 0.00 179.45 180.03 1fur h ALA 421 N 0.90 0.45 -0.48 3.86 0.00 -1.19 -0.71 119.26 122.09 1fur h ALA 421 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 421 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1fur h ALA 421 CO 0.10 -0.04 0.15 0.00 0.00 0.00 0.00 179.25 179.46 1fur h ALA 422 N 1.07 1.35 -0.31 0.00 0.00 -0.96 -1.11 119.26 119.30 1fur h ALA 422 Ca 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1fur h ALA 422 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fur h ALA 422 CO -0.02 0.47 0.06 1.49 0.00 0.00 0.00 179.25 181.25 1fur h GLU 423 N 0.70 0.51 -0.64 0.00 4.81 -0.79 -0.04 114.58 119.12 1fur h GLU 423 Ca 0.16 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1fur h GLU 423 Cb 0.21 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1fur h GLU 423 CO -0.01 0.59 0.43 0.82 -0.73 0.00 0.00 179.01 180.11 1fur h ILE 424 N 0.34 1.16 -0.19 2.32 2.04 -0.69 -1.09 117.51 121.40 1fur h ILE 424 Ca 0.10 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1fur h ILE 424 Cb 0.32 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1fur h ILE 424 CO 0.00 0.16 0.08 0.00 0.00 0.00 0.00 178.15 178.39 1fur h ALA 425 N 1.24 0.24 -0.71 1.87 0.00 -0.99 -1.23 119.26 119.69 1fur h ALA 425 Ca 0.24 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1fur h ALA 425 Cb -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1fur h ALA 425 CO -0.05 -0.17 0.47 0.87 0.00 0.00 0.00 179.25 180.37 1fur h LYS 426 N 0.15 0.93 -0.04 0.00 1.57 -0.73 -1.06 116.57 117.40 1fur h LYS 426 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fur h LYS 426 Cb 0.17 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1fur h LYS 426 CO -0.01 0.62 0.02 -0.22 -0.57 0.00 0.00 179.45 179.29 1fur h LYS 427 N 0.96 0.06 -0.55 3.15 3.64 -1.06 -0.23 116.57 122.53 1fur h LYS 427 Ca 0.26 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1fur h LYS 427 Cb -0.11 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1fur h LYS 427 CO -0.06 0.18 0.32 0.00 -2.27 0.00 0.00 179.45 177.62 1fur h ALA 428 N 0.88 0.71 -0.32 5.00 0.00 -1.04 0.00 119.26 124.49 1fur h ALA 428 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fur h ALA 428 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fur h ALA 428 CO -0.00 0.02 0.11 1.25 0.00 0.00 0.00 179.25 180.63 1fur h HIS 429 N 0.63 0.50 -0.29 0.00 -0.00 -1.05 0.15 115.15 115.09 1fur h HIS 429 Ca 0.23 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.41 1fur h HIS 429 Cb 0.06 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1fur h HIS 429 CO -0.07 0.50 -0.39 0.87 -0.00 0.00 0.00 177.93 178.84 1fur h LYS 430 N 0.35 0.69 -0.02 5.26 6.56 -0.78 -3.27 116.57 125.37 1fur h LYS 430 Ca 0.10 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1fur h LYS 430 Cb 0.23 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1fur h LYS 430 CO -0.00 0.96 -0.10 0.39 -2.06 0.00 0.00 179.45 178.64 1fur n GLU 431 N -4.04 1.83 -2.97 3.15 1.02 -0.04 -4.97 120.64 114.63 1fur n GLU 431 Ca -0.02 -1.39 -0.12 0.00 -0.02 0.00 0.00 57.16 55.62 1fur n GLU 431 Cb 0.52 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 30.53 1fur n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fur n GLY 432 N 1.31 -0.05 3.56 0.62 0.00 0.28 -5.04 105.19 105.88 1fur n GLY 432 Ca 0.14 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1fur n GLY 432 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fur s LEU 433 N -4.82 2.80 0.58 0.99 1.43 0.17 -5.04 118.68 114.79 1fur s LEU 433 Ca 0.08 -1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 1fur s LEU 433 Cb -0.03 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1fur s LEU 433 CO 0.46 -0.18 0.94 0.42 0.23 0.00 0.00 176.35 178.23 1fur s THR 434 N -2.56 4.47 0.22 5.49 -4.23 -1.26 -4.54 115.64 113.23 1fur s THR 434 Ca 0.33 0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 1fur s THR 434 Cb 0.00 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.26 1fur s THR 434 CO 0.17 -0.89 1.79 -0.07 -0.54 0.00 0.00 174.62 175.08 1fur h LEU 435 N -0.17 0.51 -0.29 4.79 3.38 -1.83 -1.69 115.31 120.01 1fur h LEU 435 Ca -0.45 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1fur h LEU 435 Cb 1.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1fur h LEU 435 CO 0.62 0.30 0.17 0.50 0.09 0.00 0.00 178.44 180.12 1fur h LYS 436 N 0.65 0.39 -0.66 1.13 3.64 -1.93 0.72 116.57 120.51 1fur h LYS 436 Ca 0.34 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1fur h LYS 436 Cb 0.32 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1fur h LYS 436 CO -0.24 0.32 0.37 0.00 -2.27 0.00 0.00 179.45 177.63 1fur h ALA 437 N 1.05 0.85 -0.45 5.00 0.00 -1.86 -0.13 119.26 123.73 1fur h ALA 437 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 437 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1fur h ALA 437 CO -0.02 0.36 -0.05 0.00 0.00 0.00 0.00 179.25 179.54 1fur h ALA 438 N 1.18 0.61 -0.54 0.00 0.00 -1.12 -0.85 119.26 118.55 1fur h ALA 438 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1fur h ALA 438 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1fur h ALA 438 CO -0.04 0.45 0.32 0.00 0.00 0.00 0.00 179.25 179.98 1fur h ALA 439 N 0.89 0.70 -0.30 0.00 0.00 -0.50 -2.15 119.26 117.90 1fur h ALA 439 Ca 0.12 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1fur h ALA 439 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1fur h ALA 439 CO 0.03 0.19 -0.45 -0.07 0.00 0.00 0.00 179.25 178.96 1fur h LEU 440 N 0.73 0.83 -0.84 0.00 4.07 -0.97 -1.50 115.31 117.63 1fur h LEU 440 Ca 0.19 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1fur h LEU 440 Cb 0.01 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.47 1fur h LEU 440 CO -0.03 1.15 0.55 0.00 -1.08 0.00 0.00 178.44 179.03 1fur h ALA 441 N 0.88 1.07 0.00 1.53 0.00 -0.88 -1.09 119.26 120.76 1fur h ALA 441 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1fur h ALA 441 Cb 1.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1fur h ALA 441 CO 0.10 0.44 -0.22 -0.07 0.00 0.00 0.00 179.25 179.51 1fur h LEU 442 N 1.11 0.00 0.69 0.00 4.07 -1.35 -3.48 115.31 116.35 1fur h LEU 442 Ca 0.31 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.17 1fur h LEU 442 Cb -0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1fur h LEU 442 CO -0.08 0.22 -0.13 0.61 -1.08 0.00 0.00 178.44 177.97 1fur n GLY 443 N 0.65 0.25 0.17 0.83 0.00 -0.42 -4.93 105.19 101.73 1fur n GLY 443 Ca 0.02 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1fur n GLY 443 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fur h TYR 444 N 0.00 0.00 -2.77 1.61 0.05 -1.68 -3.47 116.97 110.71 1fur h TYR 444 Ca -0.13 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.72 1fur h TYR 444 Cb 0.98 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.62 1fur h TYR 444 CO 0.14 0.00 0.31 -0.48 -1.05 0.00 0.00 178.16 177.09 1fur s LEU 445 N -5.50 -0.37 0.50 3.88 2.34 -1.26 -5.07 118.68 113.20 1fur s LEU 445 Ca 0.07 -0.27 0.00 0.00 0.06 0.00 0.00 54.13 54.00 1fur s LEU 445 Cb 0.08 2.47 0.01 0.00 -0.56 0.00 0.00 46.19 48.20 1fur s LEU 445 CO 0.66 -1.02 0.73 -0.94 -1.06 0.00 0.00 176.35 174.72 1fur s SER 446 N -2.79 5.56 0.23 1.48 1.04 -1.26 -4.48 113.70 113.48 1fur s SER 446 Ca 0.07 0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 1fur s SER 446 Cb -0.03 -1.24 0.20 0.00 0.10 0.00 0.00 66.02 65.05 1fur s SER 446 CO -0.03 -0.92 1.84 -0.08 0.98 0.00 0.00 173.24 175.02 1fur h GLU 447 N 0.22 1.24 -0.62 4.02 4.81 -1.99 -1.57 114.58 120.69 1fur h GLU 447 Ca -0.44 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 58.65 1fur h GLU 447 Cb 1.27 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 1fur h GLU 447 CO 0.55 0.93 0.39 0.00 -0.73 0.00 0.00 179.01 180.15 1fur h ALA 448 N 1.25 0.80 -0.42 2.92 0.00 -1.99 -0.25 119.26 121.58 1fur h ALA 448 Ca 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1fur h ALA 448 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1fur h ALA 448 CO -0.04 0.14 0.10 0.93 0.00 0.00 0.00 179.25 180.38 1fur h GLU 449 N 0.77 0.68 -0.30 0.00 5.08 -1.86 -1.45 114.58 117.50 1fur h GLU 449 Ca 0.25 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1fur h GLU 449 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1fur h GLU 449 CO -0.09 0.69 0.15 0.35 -1.00 0.00 0.00 179.01 179.10 1fur h PHE 450 N 0.54 0.27 -0.86 4.33 3.04 -0.83 0.12 116.94 123.56 1fur h PHE 450 Ca 0.13 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.11 1fur h PHE 450 Cb 0.32 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1fur h PHE 450 CO 0.02 0.15 0.57 -0.44 -2.02 0.00 0.00 178.31 176.58 1fur h ASP 451 N 0.31 0.96 0.83 0.41 3.32 -0.90 -0.53 116.42 120.82 1fur h ASP 451 Ca 0.12 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.92 1fur h ASP 451 Cb 0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1fur h ASP 451 CO -0.09 0.68 -1.07 0.28 -1.72 0.00 0.00 179.24 177.32 1fur h SER 452 N 1.12 0.17 0.26 6.45 0.02 -0.74 -3.38 113.55 117.46 1fur h SER 452 Ca 0.33 -0.18 -0.34 0.00 -0.84 0.00 0.00 61.79 60.76 1fur h SER 452 Cb -0.06 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.44 1fur h SER 452 CO -0.08 1.12 -1.62 -0.50 -1.14 0.00 0.00 176.83 174.60 1fur h TRP 453 N 0.03 0.77 -1.89 3.45 6.55 -0.49 -3.41 115.95 120.97 1fur h TRP 453 Ca -0.06 -0.56 -0.73 0.00 0.95 0.00 0.00 58.89 58.50 1fur h TRP 453 Cb 1.81 -0.03 -0.16 0.00 -0.86 0.00 0.00 29.16 29.92 1fur h TRP 453 CO 0.02 1.59 1.55 0.28 -1.05 0.00 0.00 178.44 180.83 1fur n VAL 454 N -3.61 4.19 -3.46 1.49 0.31 -0.23 -4.81 118.33 112.21 1fur n VAL 454 Ca -0.21 -4.59 -0.43 0.00 -0.01 0.00 0.00 64.34 59.10 1fur n VAL 454 Cb 1.08 -2.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.51 1fur n VAL 454 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1fur s ARG 455 N 2.10 2.84 0.63 5.55 1.81 -1.26 -4.91 118.95 125.71 1fur s ARG 455 Ca 0.45 -1.95 0.32 0.00 -1.72 0.00 0.00 55.73 52.83 1fur s ARG 455 Cb -0.01 -4.11 1.76 0.00 -0.45 0.00 0.00 34.95 32.14 1fur s ARG 455 CO 0.02 -1.25 2.05 -1.00 -0.68 0.00 0.00 175.30 174.44 1fur h PRO 456 N 8.32 0.00 0.00 3.54 0.13 -1.98 -0.87 132.00 141.14 1fur h PRO 456 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1fur h PRO 456 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1fur h PRO 456 CO 0.88 0.00 -0.05 1.05 -0.23 0.00 0.00 178.00 179.65 1fur h GLU 457 N 0.00 0.00 -2.03 0.86 9.09 -1.97 -3.02 114.58 117.50 1fur h GLU 457 Ca 0.06 0.00 -0.77 0.00 0.05 0.00 0.00 59.36 58.69 1fur h GLU 457 Cb 0.57 0.00 -0.27 0.00 -1.65 0.00 0.00 28.75 27.39 1fur h GLU 457 CO -0.00 0.05 1.02 0.00 0.05 0.00 0.00 179.01 180.13 1fur n GLN 458 N -3.24 3.23 0.00 1.06 -0.00 -0.33 -5.12 117.38 112.98 1fur n GLN 458 Ca -0.01 -3.74 0.14 0.00 -0.00 0.00 0.00 57.00 53.39 1fur n GLN 458 Cb 0.24 -2.30 0.55 0.00 -0.00 0.00 0.00 30.24 28.73 1fur n GLN 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06