#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfj s THR 3 N 0.00 0.07 -0.02 0.00 2.01 -1.26 -0.99 115.64 115.45 2dfj s THR 3 Ca 0.00 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.36 2dfj s THR 3 Cb 0.00 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 2dfj s THR 3 CO 0.00 0.21 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.64 2dfj s TYR 4 N 2.10 1.66 -0.13 4.92 1.51 -0.14 -0.88 117.35 126.39 2dfj s TYR 4 Ca 0.05 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2dfj s TYR 4 Cb -0.12 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2dfj s TYR 4 CO -0.04 -0.05 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.68 2dfj s LEU 5 N -0.36 1.79 -0.13 -1.29 1.43 -1.00 0.27 118.68 119.40 2dfj s LEU 5 Ca 0.05 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2dfj s LEU 5 Cb -0.08 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2dfj s LEU 5 CO -0.00 0.01 -0.21 -0.38 0.23 0.00 0.00 176.35 176.00 2dfj n ILE 6 N 4.34 1.19 0.00 -0.59 2.08 -0.39 -2.04 119.36 123.95 2dfj n ILE 6 Ca -0.19 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2dfj n ILE 6 Cb 0.51 -2.22 0.00 0.00 -0.75 0.00 0.00 39.64 37.18 2dfj n ILE 6 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dfj n GLY 7 N 1.56 2.30 3.51 7.39 0.00 -1.26 -4.15 105.19 114.54 2dfj n GLY 7 Ca -0.08 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 2dfj n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfj n ASP 8 N 0.00 0.34 -4.78 1.61 9.92 -1.26 -4.65 116.55 117.73 2dfj n ASP 8 Ca 0.00 -0.08 -0.38 0.00 -0.53 0.00 0.00 54.79 53.81 2dfj n ASP 8 Cb 0.00 -0.97 -0.05 0.00 -0.64 0.00 0.00 41.12 39.45 2dfj n ASP 8 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dfj s VAL 9 N 8.26 3.92 -0.45 2.53 1.01 -1.26 -4.49 120.40 129.91 2dfj s VAL 9 Ca 1.29 1.62 0.09 0.00 0.00 0.00 0.00 61.98 64.98 2dfj s VAL 9 Cb -1.02 -3.91 0.31 0.00 0.00 0.00 0.00 36.38 31.76 2dfj s VAL 9 CO 0.46 0.15 0.73 1.41 0.00 0.00 0.00 175.10 177.85 2dfj n HIS 10 N 0.50 1.31 -1.31 5.22 8.25 -1.24 -3.18 115.22 124.78 2dfj n HIS 10 Ca 0.02 -3.84 -0.11 0.00 -0.26 0.00 0.00 57.72 53.54 2dfj n HIS 10 Cb 0.49 -0.44 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 2dfj n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dfj n GLY 11 N 0.53 1.18 2.79 -1.41 0.00 0.21 -3.54 105.19 104.94 2dfj n GLY 11 Ca 0.26 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2dfj n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfj h TYR 13 N 5.69 -0.08 -0.16 0.00 3.20 -1.91 -1.74 116.97 121.96 2dfj h TYR 13 Ca 0.46 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.39 2dfj h TYR 13 Cb 0.60 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 2dfj h TYR 13 CO 1.33 -0.06 -0.33 -0.44 -1.64 0.00 0.00 178.16 177.03 2dfj h ASP 14 N -0.04 -1.03 -0.96 -2.11 3.32 -1.95 -1.85 116.42 111.80 2dfj h ASP 14 Ca 0.03 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2dfj h ASP 14 Cb 0.09 0.44 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 2dfj h ASP 14 CO -0.07 -0.36 0.63 -0.33 -1.72 0.00 0.00 179.24 177.39 2dfj h GLU 15 N -0.39 1.22 0.18 3.56 3.07 -1.90 -1.06 114.58 119.26 2dfj h GLU 15 Ca 0.10 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2dfj h GLU 15 Cb 0.55 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2dfj h GLU 15 CO -0.38 0.81 -0.16 1.25 -1.40 0.00 0.00 179.01 179.13 2dfj h LEU 16 N 1.26 -0.43 -1.01 1.33 5.85 -0.68 -1.02 115.31 120.61 2dfj h LEU 16 Ca 0.37 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 59.03 2dfj h LEU 16 Cb -0.07 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2dfj h LEU 16 CO -0.10 -0.25 -0.29 0.40 -0.34 0.00 0.00 178.44 177.87 2dfj h ILE 17 N -0.36 1.27 0.50 4.05 1.08 -1.16 -0.01 117.51 122.87 2dfj h ILE 17 Ca -0.00 -1.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.17 2dfj h ILE 17 Cb 0.34 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2dfj h ILE 17 CO -0.03 0.40 -0.28 0.00 -0.69 0.00 0.00 178.15 177.55 2dfj h ALA 18 N 1.38 -0.73 -0.34 1.87 0.00 -0.90 0.62 119.26 121.17 2dfj h ALA 18 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2dfj h ALA 18 Cb 0.67 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2dfj h ALA 18 CO 0.05 -0.92 0.01 -0.07 0.00 0.00 0.00 179.25 178.32 2dfj h LEU 19 N -0.73 -0.12 -1.08 0.00 3.38 -0.98 0.19 115.31 115.96 2dfj h LEU 19 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dfj h LEU 19 Cb 0.58 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2dfj h LEU 19 CO 0.08 -0.03 0.56 -0.07 0.09 0.00 0.00 178.44 179.07 2dfj h LEU 20 N 0.11 1.04 -0.35 1.67 3.38 -0.83 -1.83 115.31 118.48 2dfj h LEU 20 Ca 0.17 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2dfj h LEU 20 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2dfj h LEU 20 CO -0.27 0.77 -0.31 0.45 0.09 0.00 0.00 178.44 179.17 2dfj h HIS 21 N 1.21 0.99 -0.56 1.13 3.86 -0.59 0.88 115.15 122.07 2dfj h HIS 21 Ca 0.32 -0.29 0.12 0.00 -1.16 0.00 0.00 60.37 59.37 2dfj h HIS 21 Cb -0.09 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 2dfj h HIS 21 CO 0.00 1.07 0.38 -0.22 0.86 0.00 0.00 177.93 180.03 2dfj h LYS 22 N 0.62 0.21 -0.38 2.45 3.64 -0.15 0.34 116.57 123.30 2dfj h LYS 22 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2dfj h LYS 22 Cb 0.89 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2dfj h LYS 22 CO 0.08 0.14 0.00 1.33 -2.27 0.00 0.00 179.45 178.73 2dfj n VAL 23 N -4.44 0.54 -3.72 2.00 0.24 -0.89 -4.99 118.33 107.06 2dfj n VAL 23 Ca 0.10 -0.77 -0.30 0.00 -2.04 0.00 0.00 64.34 61.32 2dfj n VAL 23 Cb 0.47 0.94 0.03 0.00 -1.47 0.00 0.00 33.84 33.80 2dfj n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dfj n GLU 24 N 1.36 -1.08 -2.29 7.34 1.02 0.12 -4.90 120.64 122.21 2dfj n GLU 24 Ca 0.18 0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 57.44 2dfj n GLU 24 Cb 0.57 -3.61 -0.03 0.00 -0.02 0.00 0.00 31.44 28.35 2dfj n GLU 24 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2dfj s PHE 25 N -3.34 3.06 -0.31 -0.32 5.36 0.25 -5.02 117.98 117.67 2dfj s PHE 25 Ca 0.35 0.99 0.01 0.00 -0.96 0.00 0.00 56.93 57.31 2dfj s PHE 25 Cb -0.14 -3.58 0.09 0.00 -0.34 0.00 0.00 43.02 39.05 2dfj s PHE 25 CO 0.88 -2.04 0.06 0.99 -1.46 0.00 0.00 175.22 173.64 2dfj s THR 26 N 1.97 1.45 0.42 0.12 2.01 -1.26 -4.93 115.64 115.41 2dfj s THR 26 Ca 0.62 -1.68 0.33 0.00 0.31 0.00 0.00 61.69 61.27 2dfj s THR 26 Cb -0.31 -2.02 0.50 0.00 0.01 0.00 0.00 72.50 70.68 2dfj s THR 26 CO 0.27 -0.55 1.42 -2.65 -0.69 0.00 0.00 174.62 172.42 2dfj n PRO 27 N 4.62 -0.03 0.00 4.92 -0.02 -1.26 -0.23 135.00 143.00 2dfj n PRO 27 Ca -0.02 1.11 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2dfj n PRO 27 Cb 0.42 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2dfj n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfj n GLY 28 N -1.54 -2.89 0.08 -1.23 0.00 -1.26 -4.00 105.19 94.34 2dfj n GLY 28 Ca 0.38 0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 2dfj n GLY 28 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dfj h LYS 29 N 0.00 0.00 -6.30 1.61 2.10 -1.70 -3.48 116.57 108.80 2dfj h LYS 29 Ca 0.00 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.21 2dfj h LYS 29 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2dfj h LYS 29 CO 0.00 0.89 -0.36 -0.51 -2.00 0.00 0.00 179.45 177.47 2dfj s ASP 30 N -6.67 6.04 -0.01 7.07 1.01 0.67 -4.91 116.67 119.87 2dfj s ASP 30 Ca 0.01 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.14 2dfj s ASP 30 Cb 0.10 -1.35 0.01 0.00 1.01 0.00 0.00 42.92 42.69 2dfj s ASP 30 CO 0.80 -0.37 -0.02 -0.89 0.21 0.00 0.00 175.17 174.91 2dfj s THR 31 N -2.14 0.21 -0.20 -1.27 2.01 -0.17 -4.58 115.64 109.51 2dfj s THR 31 Ca 0.43 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 2dfj s THR 31 Cb -0.09 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 2dfj s THR 31 CO 0.31 0.09 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.04 2dfj s LEU 32 N 0.29 2.83 -0.19 4.42 2.96 -0.08 -0.97 118.68 127.94 2dfj s LEU 32 Ca -0.03 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 2dfj s LEU 32 Cb -0.05 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2dfj s LEU 32 CO -0.01 0.01 0.22 0.26 -1.32 0.00 0.00 176.35 175.51 2dfj s TRP 33 N 1.28 3.41 -0.14 5.38 0.52 0.14 0.19 118.94 129.72 2dfj s TRP 33 Ca 0.03 0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.59 2dfj s TRP 33 Cb -0.14 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.90 2dfj s TRP 33 CO -0.03 0.20 -0.18 -0.51 0.02 0.00 0.00 176.95 176.45 2dfj s LEU 34 N 0.61 2.34 0.37 2.99 1.43 -0.64 -1.26 118.68 124.52 2dfj s LEU 34 Ca 0.12 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2dfj s LEU 34 Cb -0.12 -1.51 0.72 0.00 0.03 0.00 0.00 46.19 45.31 2dfj s LEU 34 CO 0.02 0.10 2.03 0.74 0.23 0.00 0.00 176.35 179.47 2dfj h THR 35 N 5.69 1.14 -1.81 5.49 2.02 -1.85 -2.16 112.91 121.44 2dfj h THR 35 Ca -0.30 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2dfj h THR 35 Cb 1.20 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2dfj h THR 35 CO 0.55 0.14 0.00 0.61 0.37 0.00 0.00 175.52 177.19 2dfj n GLY 36 N -1.45 0.60 2.77 2.16 0.00 -1.24 -4.44 105.19 103.59 2dfj n GLY 36 Ca 0.05 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 2dfj n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfj n ASP 37 N -0.90 5.68 -0.27 1.61 8.00 -1.26 -1.67 116.55 127.74 2dfj n ASP 37 Ca 0.00 -3.62 -0.05 0.00 0.71 0.00 0.00 54.79 51.83 2dfj n ASP 37 Cb 0.39 -0.89 0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2dfj n ASP 37 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2dfj h LEU 38 N 3.92 0.88 -3.59 0.64 3.38 -1.92 -3.34 115.31 115.27 2dfj h LEU 38 Ca 0.29 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 2dfj h LEU 38 Cb 0.47 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 40.84 2dfj h LEU 38 CO 1.02 0.66 0.19 1.33 0.09 0.00 0.00 178.44 181.74 2dfj n VAL 39 N -4.53 2.78 -3.39 1.22 0.24 -1.26 0.64 118.33 114.03 2dfj n VAL 39 Ca 0.07 -2.30 -0.22 0.00 -2.04 0.00 0.00 64.34 59.84 2dfj n VAL 39 Cb 0.04 -0.37 0.04 0.00 -1.47 0.00 0.00 33.84 32.08 2dfj n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dfj n ALA 40 N -0.98 1.08 0.00 2.33 0.00 -1.25 -4.75 120.51 116.94 2dfj n ALA 40 Ca 0.41 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2dfj n ALA 40 Cb 1.26 0.72 0.00 0.00 0.00 0.00 0.00 19.45 21.43 2dfj n ALA 40 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2dfj n ARG 41 N -2.08 0.00 0.00 0.00 1.85 -1.19 -3.92 116.66 111.32 2dfj n ARG 41 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2dfj n ARG 41 Cb 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 2dfj n ARG 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dfj n GLY 42 N 0.00 4.88 0.00 2.89 0.00 -1.23 -4.65 105.19 107.08 2dfj n GLY 42 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2dfj n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dfj n PRO 43 N -1.97 0.00 -0.75 1.61 -0.02 -1.13 -4.11 135.00 128.62 2dfj n PRO 43 Ca 0.00 0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 2dfj n PRO 43 Cb 0.00 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 2dfj n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfj n GLY 44 N 0.30 2.79 0.29 -1.23 0.00 0.93 -4.52 105.19 103.76 2dfj n GLY 44 Ca 0.00 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.51 2dfj n GLY 44 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dfj h SER 45 N 1.93 0.18 -0.15 1.61 0.02 -1.71 -1.00 113.55 114.43 2dfj h SER 45 Ca 0.10 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 2dfj h SER 45 Cb 1.22 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.86 2dfj h SER 45 CO 0.14 0.01 -0.20 0.25 -1.14 0.00 0.00 176.83 175.88 2dfj h LEU 46 N 0.36 -0.62 -0.82 5.07 6.46 -1.92 -2.07 115.31 121.77 2dfj h LEU 46 Ca 0.47 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 58.26 2dfj h LEU 46 Cb 0.82 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 2dfj h LEU 46 CO -0.50 -0.25 0.04 0.44 -0.62 0.00 0.00 178.44 177.56 2dfj h ASP 47 N -0.24 0.90 0.53 1.25 3.32 -1.60 -1.86 116.42 118.72 2dfj h ASP 47 Ca 0.11 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2dfj h ASP 47 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2dfj h ASP 47 CO -0.29 0.93 -0.43 0.58 -1.72 0.00 0.00 179.24 178.31 2dfj h VAL 48 N 0.87 0.00 -0.61 -1.35 2.07 -0.96 0.72 116.25 116.99 2dfj h VAL 48 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 2dfj h VAL 48 Cb 0.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2dfj h VAL 48 CO 0.02 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.59 2dfj h LEU 49 N -0.94 -0.17 0.05 2.57 3.38 -1.33 0.19 115.31 119.06 2dfj h LEU 49 Ca -0.07 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dfj h LEU 49 Cb 0.78 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2dfj h LEU 49 CO 0.00 -0.07 -0.29 0.03 0.09 0.00 0.00 178.44 178.20 2dfj h ARG 50 N 0.16 -0.45 0.37 1.13 3.08 -1.10 -1.72 114.38 115.84 2dfj h ARG 50 Ca 0.32 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2dfj h ARG 50 Cb 0.51 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2dfj h ARG 50 CO -0.48 -0.30 -0.33 -0.92 -1.07 0.00 0.00 179.97 176.87 2dfj h TYR 51 N -0.47 -0.88 -0.85 3.04 -0.00 -0.27 -2.59 116.97 114.95 2dfj h TYR 51 Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 58.85 2dfj h TYR 51 Cb 0.53 0.34 -0.07 0.00 -0.00 0.00 0.00 36.73 37.53 2dfj h TYR 51 CO -0.30 -0.47 0.52 0.28 -0.00 0.00 0.00 178.16 178.19 2dfj h VAL 52 N -0.71 1.00 0.00 1.81 2.07 -0.55 0.14 116.25 120.02 2dfj h VAL 52 Ca -0.03 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2dfj h VAL 52 Cb 0.63 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2dfj h VAL 52 CO -0.04 0.17 -0.33 0.50 0.02 0.00 0.00 177.57 177.89 2dfj h LYS 53 N 0.92 0.00 0.00 1.57 3.64 -1.27 -2.35 116.57 119.08 2dfj h LYS 53 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2dfj h LYS 53 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2dfj h LYS 53 CO -0.20 0.33 0.00 -1.13 -2.27 0.00 0.00 179.45 176.18 2dfj n SER 54 N -3.94 0.35 0.20 4.20 3.41 0.02 -3.04 113.62 114.82 2dfj n SER 54 Ca -0.02 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 2dfj n SER 54 Cb 0.39 -0.64 0.37 0.00 -0.26 0.00 0.00 64.21 64.07 2dfj n SER 54 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dfj h LEU 55 N 0.00 0.00 0.00 1.04 3.38 -1.18 -3.49 115.31 115.06 2dfj h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dfj h LEU 55 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2dfj h LEU 55 CO 0.00 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2dfj n GLY 56 N 0.31 3.37 0.27 0.83 0.00 -1.17 -2.58 105.19 106.22 2dfj n GLY 56 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2dfj n GLY 56 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dfj h ASP 57 N 0.00 0.00 -0.45 1.61 5.19 -1.94 -1.77 116.42 119.06 2dfj h ASP 57 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dfj h ASP 57 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2dfj h ASP 57 CO 0.00 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.58 2dfj n SER 58 N -2.79 3.68 -4.34 6.45 3.41 -1.06 -4.73 113.62 114.23 2dfj n SER 58 Ca -0.02 -2.39 -0.31 0.00 -0.26 0.00 0.00 58.87 55.89 2dfj n SER 58 Cb 0.09 -0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 63.37 2dfj n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dfj s VAL 59 N -1.86 2.27 -0.39 -3.33 0.11 -0.67 -0.90 120.40 115.63 2dfj s VAL 59 Ca 0.36 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 2dfj s VAL 59 Cb 0.24 -1.81 0.11 0.00 -1.53 0.00 0.00 36.38 33.39 2dfj s VAL 59 CO 0.16 0.58 0.14 -0.13 -3.33 0.00 0.00 175.10 172.52 2dfj s ARG 60 N -0.55 1.40 0.34 1.54 0.52 0.13 -4.92 118.95 117.41 2dfj s ARG 60 Ca 0.08 -1.90 -0.03 0.00 -0.52 0.00 0.00 55.73 53.36 2dfj s ARG 60 Cb -0.11 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 2dfj s ARG 60 CO 0.00 -1.02 0.59 -1.17 0.02 0.00 0.00 175.30 173.72 2dfj s LEU 61 N 0.69 3.97 -0.02 2.53 0.20 -1.26 -1.63 118.68 123.17 2dfj s LEU 61 Ca 0.13 0.66 0.01 0.00 0.69 0.00 0.00 54.13 55.63 2dfj s LEU 61 Cb -0.21 -3.52 0.01 0.00 -0.43 0.00 0.00 46.19 42.04 2dfj s LEU 61 CO -0.08 -0.29 -0.05 -0.69 -0.29 0.00 0.00 176.35 174.94 2dfj s VAL 62 N -2.27 0.49 0.26 1.68 1.01 -0.81 -4.31 120.40 116.44 2dfj s VAL 62 Ca 0.43 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2dfj s VAL 62 Cb -0.10 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 2dfj s VAL 62 CO 0.34 0.17 0.94 -0.76 0.00 0.00 0.00 175.10 175.80 2dfj s LEU 63 N 0.36 4.59 0.48 3.92 1.43 -0.15 -3.71 118.68 125.60 2dfj s LEU 63 Ca -0.04 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 2dfj s LEU 63 Cb -0.08 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2dfj s LEU 63 CO -0.00 0.11 0.04 -0.83 0.23 0.00 0.00 176.35 175.90 2dfj s GLY 64 N -1.26 2.89 0.23 -3.19 0.00 -0.67 -4.53 107.32 100.80 2dfj s GLY 64 Ca 0.43 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 44.40 2dfj s GLY 64 CO 0.31 -2.09 1.72 3.45 0.00 0.00 0.00 173.10 176.48 2dfj h ASN 65 N 1.49 0.16 1.50 1.64 -1.07 -1.84 -1.13 115.58 116.33 2dfj h ASN 65 Ca -0.41 0.11 -0.03 0.00 0.07 0.00 0.00 56.30 56.04 2dfj h ASN 65 Cb 1.30 0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 37.67 2dfj h ASN 65 CO 0.69 0.06 -0.14 0.45 0.07 0.00 0.00 177.43 178.56 2dfj h HIS 66 N 0.36 0.00 0.04 4.14 3.86 -1.91 -0.61 115.15 121.04 2dfj h HIS 66 Ca 0.38 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2dfj h HIS 66 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2dfj h HIS 66 CO -0.20 0.14 -0.02 -0.44 0.86 0.00 0.00 177.93 178.27 2dfj h ASP 67 N 0.00 -0.05 -0.81 2.45 3.32 -1.52 -2.42 116.42 117.39 2dfj h ASP 67 Ca -0.00 -0.52 0.09 0.00 0.02 0.00 0.00 57.03 56.62 2dfj h ASP 67 Cb 0.93 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 2dfj h ASP 67 CO 0.02 0.51 0.46 -0.07 -1.72 0.00 0.00 179.24 178.44 2dfj h LEU 68 N -0.64 0.67 -0.42 1.55 3.38 -1.17 -2.31 115.31 116.38 2dfj h LEU 68 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dfj h LEU 68 Cb 0.56 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2dfj h LEU 68 CO 0.01 0.39 0.26 -0.74 0.09 0.00 0.00 178.44 178.45 2dfj h HIS 69 N 0.79 0.50 -0.28 1.13 2.76 -1.12 -1.29 115.15 117.63 2dfj h HIS 69 Ca 0.39 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.62 2dfj h HIS 69 Cb 0.34 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 2dfj h HIS 69 CO -0.06 0.30 0.03 1.25 -1.30 0.00 0.00 177.93 178.15 2dfj h LEU 70 N 0.54 -0.05 -1.19 0.26 5.85 -0.90 -0.81 115.31 119.00 2dfj h LEU 70 Ca 0.16 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.03 2dfj h LEU 70 Cb -0.03 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2dfj h LEU 70 CO -0.05 0.01 0.58 -0.07 -0.34 0.00 0.00 178.44 178.56 2dfj h LEU 71 N 0.12 0.80 -0.26 2.25 3.38 -1.19 0.21 115.31 120.64 2dfj h LEU 71 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dfj h LEU 71 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2dfj h LEU 71 CO -0.20 0.46 0.16 0.00 0.09 0.00 0.00 178.44 178.95 2dfj h ALA 72 N 1.56 0.32 -0.28 1.53 0.00 0.01 -1.75 119.26 120.65 2dfj h ALA 72 Ca 0.42 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 2dfj h ALA 72 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dfj h ALA 72 CO -0.18 -0.18 -0.51 -0.24 0.00 0.00 0.00 179.25 178.13 2dfj h VAL 73 N 0.33 1.28 -0.66 0.00 3.04 -0.56 0.20 116.25 119.88 2dfj h VAL 73 Ca 0.09 -1.71 0.10 0.00 -1.01 0.00 0.00 66.70 64.17 2dfj h VAL 73 Cb -0.01 1.61 -0.04 0.00 -2.01 0.00 0.00 31.29 30.84 2dfj h VAL 73 CO -0.02 0.55 0.44 0.15 -1.01 0.00 0.00 177.57 177.69 2dfj h PHE 74 N 0.62 0.53 -0.57 3.17 3.57 -0.45 -0.51 116.94 123.30 2dfj h PHE 74 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2dfj h PHE 74 Cb 1.10 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2dfj h PHE 74 CO 0.06 0.25 0.00 0.00 -2.23 0.00 0.00 178.31 176.39 2dfj n ALA 75 N -2.50 2.98 -1.28 2.41 0.00 -0.67 -4.94 120.51 116.51 2dfj n ALA 75 Ca 0.11 -1.34 -0.10 0.00 0.00 0.00 0.00 53.44 52.12 2dfj n ALA 75 Cb 0.37 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2dfj n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfj n GLY 76 N 1.06 1.07 0.11 0.00 0.00 -0.20 -4.88 105.19 102.35 2dfj n GLY 76 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2dfj n GLY 76 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dfj h ILE 77 N 0.00 1.16 -4.18 -0.61 5.03 -0.83 -3.47 117.51 114.61 2dfj h ILE 77 Ca -0.20 -2.64 -0.21 0.00 -0.12 0.00 0.00 64.86 61.69 2dfj h ILE 77 Cb 0.79 2.57 -0.15 0.00 -3.03 0.00 0.00 36.82 37.00 2dfj h ILE 77 CO 0.29 0.66 -0.66 -0.44 -0.68 0.00 0.00 178.15 177.32 2dfj s SER 78 N -6.54 0.64 0.01 1.72 0.01 -1.08 -4.94 113.70 103.52 2dfj s SER 78 Ca 0.03 -1.17 -0.19 0.00 1.31 0.00 0.00 55.95 55.92 2dfj s SER 78 Cb 0.08 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.48 2dfj s SER 78 CO 0.77 -0.66 0.55 -0.13 0.41 0.00 0.00 173.24 174.19 2dfj s ARG 79 N -3.99 4.23 0.22 12.44 0.52 -1.26 -4.23 118.95 126.88 2dfj s ARG 79 Ca 0.22 0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 55.78 2dfj s ARG 79 Cb 0.07 -3.30 -0.12 0.00 0.52 0.00 0.00 34.95 32.12 2dfj s ARG 79 CO 0.01 0.48 1.70 -1.71 0.02 0.00 0.00 175.30 175.80 2dfj n ASN 80 N 2.35 3.93 -4.42 0.23 5.15 -1.26 -4.94 115.26 116.30 2dfj n ASN 80 Ca -0.09 1.08 -0.44 0.00 -0.60 0.00 0.00 54.58 54.53 2dfj n ASN 80 Cb 0.51 -1.57 -0.07 0.00 -0.53 0.00 0.00 39.78 38.12 2dfj n ASN 80 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2dfj s LYS 81 N 0.89 3.04 0.58 1.20 3.01 -1.26 -4.97 119.74 122.24 2dfj s LYS 81 Ca 0.74 -1.14 0.32 0.00 -1.01 0.00 0.00 55.97 54.88 2dfj s LYS 81 Cb -0.51 -4.12 1.34 0.00 -1.01 0.00 0.00 37.83 33.53 2dfj s LYS 81 CO 0.35 -1.11 1.66 -1.00 0.51 0.00 0.00 175.35 175.76 2dfj h PRO 82 N 8.86 0.00 0.00 -1.68 0.13 -2.02 0.49 132.00 137.79 2dfj h PRO 82 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2dfj h PRO 82 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dfj h PRO 82 CO 0.92 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 179.05 2dfj n LYS 83 N -3.67 0.07 0.26 0.86 -0.00 -1.26 -1.58 118.16 112.84 2dfj n LYS 83 Ca 0.20 0.27 0.15 0.00 -0.00 0.00 0.00 58.31 58.93 2dfj n LYS 83 Cb 1.20 -1.63 0.60 0.00 -0.00 0.00 0.00 35.03 35.20 2dfj n LYS 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2dfj h ASP 84 N 0.00 0.00 -5.20 -5.58 3.32 -0.42 -3.43 116.42 105.11 2dfj h ASP 84 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2dfj h ASP 84 Cb 0.34 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.00 2dfj h ASP 84 CO 0.00 0.07 -0.64 0.54 -1.72 0.00 0.00 179.24 177.49 2dfj n ARG 85 N -3.19 -6.64 0.00 3.56 1.74 -0.61 -3.17 116.66 108.34 2dfj n ARG 85 Ca 0.01 0.84 0.13 0.00 -0.77 0.00 0.00 57.85 58.05 2dfj n ARG 85 Cb 0.35 -5.76 0.36 0.00 -1.02 0.00 0.00 32.46 26.39 2dfj n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2dfj n LEU 86 N -4.53 0.71 0.23 0.55 4.77 -1.26 -4.47 117.00 113.00 2dfj n LEU 86 Ca -0.04 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 2dfj n LEU 86 Cb 0.58 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2dfj n LEU 86 CO 0.57 0.15 0.72 0.74 -1.33 0.00 0.00 177.39 178.24 2dfj h THR 87 N 0.60 0.55 -0.71 -5.08 2.02 -1.90 0.13 112.91 108.52 2dfj h THR 87 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 2dfj h THR 87 Cb 0.49 0.55 -0.13 0.00 -1.74 0.00 0.00 68.15 67.32 2dfj h THR 87 CO 0.00 0.00 -0.12 -0.65 0.37 0.00 0.00 175.52 175.12 2dfj h PRO 88 N -0.56 0.03 -0.13 6.66 0.11 -1.97 2.03 132.00 138.18 2dfj h PRO 88 Ca -0.04 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2dfj h PRO 88 Cb 0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 2dfj h PRO 88 CO 0.06 0.02 0.05 1.25 -0.21 0.00 0.00 178.00 179.17 2dfj h LEU 89 N 0.03 0.17 -0.50 2.35 5.85 -1.79 -2.17 115.31 119.25 2dfj h LEU 89 Ca 0.36 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2dfj h LEU 89 Cb 0.57 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2dfj h LEU 89 CO -0.70 0.28 0.25 -0.07 -0.34 0.00 0.00 178.44 177.86 2dfj h LEU 90 N 0.05 0.64 0.00 2.25 3.38 0.81 -3.16 115.31 119.29 2dfj h LEU 90 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dfj h LEU 90 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dfj h LEU 90 CO -0.00 0.58 0.00 -0.62 0.09 0.00 0.00 178.44 178.48 2dfj n GLU 91 N -4.62 0.00 0.00 1.13 -0.58 0.67 -4.86 120.64 112.38 2dfj n GLU 91 Ca 0.02 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 2dfj n GLU 91 Cb 0.10 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2dfj n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dfj n ALA 92 N -1.05 0.00 0.00 0.62 0.00 -0.83 -4.78 120.51 114.47 2dfj n ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dfj n ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2dfj n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dfj n PRO 93 N 0.00 0.00 -0.00 0.00 -0.01 -1.26 -3.38 135.00 130.35 2dfj n PRO 93 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 63.50 63.53 2dfj n PRO 93 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 33.50 33.43 2dfj n PRO 93 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 2dfj n ASP 94 N -0.17 1.33 -0.09 2.55 -0.08 -1.26 -4.78 116.55 114.05 2dfj n ASP 94 Ca 0.00 -0.45 -0.07 0.00 -1.51 0.00 0.00 54.79 52.76 2dfj n ASP 94 Cb 0.00 1.15 0.00 0.00 2.34 0.00 0.00 41.12 44.61 2dfj n ASP 94 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dfj h ALA 95 N 1.07 0.35 -0.46 -1.67 0.00 -1.80 -1.93 119.26 114.82 2dfj h ALA 95 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2dfj h ALA 95 Cb 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2dfj h ALA 95 CO 0.00 -0.29 0.21 -0.44 0.00 0.00 0.00 179.25 178.73 2dfj h ASP 96 N 0.24 0.28 0.36 0.00 3.32 -1.94 -0.01 116.42 118.68 2dfj h ASP 96 Ca 0.14 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2dfj h ASP 96 Cb 0.11 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2dfj h ASP 96 CO -0.14 0.20 -0.39 -0.08 -1.72 0.00 0.00 179.24 177.11 2dfj h GLU 97 N 0.42 -0.75 -0.80 3.56 4.81 -1.72 -1.63 114.58 118.45 2dfj h GLU 97 Ca 0.21 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2dfj h GLU 97 Cb 0.15 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2dfj h GLU 97 CO -0.17 -0.50 0.48 -0.07 -0.73 0.00 0.00 179.01 178.02 2dfj h LEU 98 N -0.78 0.96 0.24 1.64 3.38 -1.12 -2.88 115.31 116.75 2dfj h LEU 98 Ca -0.03 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.54 2dfj h LEU 98 Cb 0.71 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 41.25 2dfj h LEU 98 CO -0.08 0.75 -1.51 -0.07 0.09 0.00 0.00 178.44 177.62 2dfj h LEU 99 N 1.10 0.80 -1.58 1.67 3.38 -0.88 -1.32 115.31 118.49 2dfj h LEU 99 Ca 0.29 -0.89 0.21 0.00 0.09 0.00 0.00 57.88 57.58 2dfj h LEU 99 Cb -0.04 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 2dfj h LEU 99 CO -0.05 1.70 0.60 0.78 0.09 0.00 0.00 178.44 181.56 2dfj h ASN 100 N 0.14 0.35 -0.00 -0.43 4.21 -1.34 -1.23 115.58 117.28 2dfj h ASN 100 Ca -0.26 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.28 2dfj h ASN 100 Cb 2.16 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 39.33 2dfj h ASN 100 CO 0.26 0.13 -0.00 -0.25 -1.29 0.00 0.00 177.43 176.28 2dfj h TRP 101 N 0.34 0.01 -0.18 1.19 7.01 -1.26 -3.18 115.95 119.88 2dfj h TRP 101 Ca 0.47 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.52 2dfj h TRP 101 Cb 1.26 -0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.25 2dfj h TRP 101 CO -0.00 0.55 -0.34 1.25 -2.79 0.00 0.00 178.44 177.11 2dfj h LEU 102 N -0.53 -1.07 -1.96 0.65 6.46 -0.48 -1.47 115.31 116.90 2dfj h LEU 102 Ca 0.00 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 2dfj h LEU 102 Cb 0.55 0.46 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2dfj h LEU 102 CO 0.00 -0.36 0.19 0.08 -0.62 0.00 0.00 178.44 177.73 2dfj h ARG 103 N -0.39 0.05 0.00 1.25 0.11 -1.34 0.96 114.38 115.02 2dfj h ARG 103 Ca 0.11 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2dfj h ARG 103 Cb 0.56 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2dfj h ARG 103 CO -0.39 0.03 0.00 0.54 0.10 0.00 0.00 179.97 180.25 2dfj n ARG 104 N -4.47 0.84 -2.82 0.08 1.74 -0.56 -4.12 116.66 107.35 2dfj n ARG 104 Ca 0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 2dfj n ARG 104 Cb 0.31 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 2dfj n ARG 104 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2dfj s GLN 105 N -2.00 3.79 0.89 5.56 -1.52 0.33 -5.00 119.66 121.70 2dfj s GLN 105 Ca 0.36 0.50 -0.13 0.00 -1.95 0.00 0.00 55.36 54.14 2dfj s GLN 105 Cb 0.17 -2.37 0.13 0.00 -0.22 0.00 0.00 33.01 30.71 2dfj s GLN 105 CO 0.28 -0.05 1.19 -2.14 -0.25 0.00 0.00 175.29 174.32 2dfj s PRO 106 N -3.87 1.33 -0.02 2.91 0.02 -1.26 -4.79 135.00 129.33 2dfj s PRO 106 Ca 0.52 0.05 0.11 0.00 0.02 0.00 0.00 61.00 61.69 2dfj s PRO 106 Cb -0.10 -1.88 -0.17 0.00 0.02 0.00 0.00 34.50 32.37 2dfj s PRO 106 CO 0.31 -2.02 0.23 1.28 -0.33 0.00 0.00 177.00 176.48 2dfj n LEU 107 N -3.59 0.00 -4.20 -5.54 4.77 -1.26 -0.98 117.00 106.20 2dfj n LEU 107 Ca 0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 2dfj n LEU 107 Cb 0.60 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.56 2dfj n LEU 107 CO 0.54 0.01 -0.49 -0.22 -1.33 0.00 0.00 177.39 175.90 2dfj s LEU 108 N -3.79 2.16 -0.06 2.23 0.20 -1.26 -4.40 118.68 113.76 2dfj s LEU 108 Ca -0.04 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.30 2dfj s LEU 108 Cb 0.07 -0.80 0.02 0.00 -0.43 0.00 0.00 46.19 45.05 2dfj s LEU 108 CO 0.45 0.10 -0.05 -1.10 -0.29 0.00 0.00 176.35 175.46 2dfj s GLN 109 N -1.13 1.01 -0.08 1.98 -1.52 -0.16 -4.99 119.66 114.77 2dfj s GLN 109 Ca 0.05 -0.14 0.04 0.00 -1.95 0.00 0.00 55.36 53.36 2dfj s GLN 109 Cb -0.08 -1.03 0.00 0.00 -0.22 0.00 0.00 33.01 31.68 2dfj s GLN 109 CO 0.01 -0.12 -0.19 0.42 -0.25 0.00 0.00 175.29 175.16 2dfj s ILE 110 N 1.14 1.66 -0.26 1.08 1.01 -1.26 -0.58 121.20 123.99 2dfj s ILE 110 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2dfj s ILE 110 Cb -0.14 -1.45 0.05 0.00 0.01 0.00 0.00 42.46 40.94 2dfj s ILE 110 CO -0.01 0.47 -0.11 -0.62 0.00 0.00 0.00 174.94 174.67 2dfj s ASP 111 N 0.38 4.35 0.25 3.58 -1.08 0.48 -5.01 116.67 119.62 2dfj s ASP 111 Ca -0.14 -1.31 -0.04 0.00 -0.52 0.00 0.00 52.55 50.53 2dfj s ASP 111 Cb -0.16 -1.56 0.29 0.00 -1.46 0.00 0.00 42.92 40.03 2dfj s ASP 111 CO 0.06 -0.18 1.80 -0.08 0.52 0.00 0.00 175.17 177.29 2dfj h GLU 112 N 7.81 0.99 0.00 4.34 4.57 -1.97 -0.79 114.58 129.53 2dfj h GLU 112 Ca -0.22 -0.20 -0.17 0.00 -1.18 0.00 0.00 59.36 57.60 2dfj h GLU 112 Cb 1.05 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 2dfj h GLU 112 CO 0.48 0.85 -0.79 0.93 -1.18 0.00 0.00 179.01 179.31 2dfj h GLU 113 N 0.96 0.00 -0.01 1.92 5.08 -1.96 -2.78 114.58 117.79 2dfj h GLU 113 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2dfj h GLU 113 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dfj h GLU 113 CO -0.01 0.79 -0.30 1.63 -1.00 0.00 0.00 179.01 180.12 2dfj n LYS 114 N -3.43 0.76 -3.78 2.33 5.02 -1.18 -4.96 118.16 112.93 2dfj n LYS 114 Ca 0.00 -0.46 -0.35 0.00 -2.02 0.00 0.00 58.31 55.48 2dfj n LYS 114 Cb 0.81 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.36 2dfj n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dfj n LYS 115 N -0.71 -1.05 -4.35 1.97 4.76 -0.51 -4.84 118.16 113.42 2dfj n LYS 115 Ca 0.11 0.36 -0.19 0.00 -2.87 0.00 0.00 58.31 55.73 2dfj n LYS 115 Cb 0.35 -3.76 -0.14 0.00 -1.84 0.00 0.00 35.03 29.64 2dfj n LYS 115 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2dfj s LEU 116 N -6.72 2.07 -0.03 -0.35 0.20 -0.42 -1.17 118.68 112.26 2dfj s LEU 116 Ca 0.47 -0.27 -0.00 0.00 0.69 0.00 0.00 54.13 55.02 2dfj s LEU 116 Cb -0.19 -0.48 0.03 0.00 -0.43 0.00 0.00 46.19 45.12 2dfj s LEU 116 CO 0.89 0.07 0.01 -0.69 -0.29 0.00 0.00 176.35 176.34 2dfj s VAL 117 N -0.46 0.10 -0.08 1.68 1.01 -0.26 -0.39 120.40 122.00 2dfj s VAL 117 Ca 0.02 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2dfj s VAL 117 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2dfj s VAL 117 CO 0.00 0.14 -0.18 -0.32 0.00 0.00 0.00 175.10 174.74 2dfj s MET 118 N 1.23 2.29 0.19 2.72 0.00 0.25 -0.67 119.30 125.31 2dfj s MET 118 Ca -0.07 -0.64 -0.00 0.00 0.00 0.00 0.00 55.69 54.98 2dfj s MET 118 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 34.83 32.84 2dfj s MET 118 CO -0.02 0.12 0.09 0.00 0.00 0.00 0.00 175.02 175.21 2dfj s ALA 119 N 0.44 1.24 0.02 4.11 0.00 -1.13 -0.99 121.76 125.45 2dfj s ALA 119 Ca -0.15 -1.67 -0.22 0.00 0.00 0.00 0.00 51.96 49.92 2dfj s ALA 119 Cb -0.16 1.08 -0.16 0.00 0.00 0.00 0.00 23.12 23.88 2dfj s ALA 119 CO 0.06 -0.50 1.33 1.25 0.00 0.00 0.00 175.76 177.89 2dfj h HIS 120 N 2.64 0.29 0.00 0.00 2.76 -1.77 -3.28 115.15 115.80 2dfj h HIS 120 Ca -0.36 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2dfj h HIS 120 Cb 1.23 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2dfj h HIS 120 CO 0.42 0.66 -1.55 0.00 -1.30 0.00 0.00 177.93 176.16 2dfj n ALA 121 N -2.39 3.26 0.00 5.26 0.00 0.15 -1.16 120.51 125.63 2dfj n ALA 121 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2dfj n ALA 121 Cb 0.32 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2dfj n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfj n GLY 122 N 1.32 0.18 2.94 0.00 0.00 -1.23 -4.83 105.19 103.57 2dfj n GLY 122 Ca -0.01 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2dfj n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dfj s ILE 123 N 0.00 1.29 0.18 -0.61 -1.09 -1.26 -4.71 121.20 115.01 2dfj s ILE 123 Ca 0.00 -0.62 -0.33 0.00 -2.23 0.00 0.00 60.65 57.47 2dfj s ILE 123 Cb 0.00 -1.35 -0.15 0.00 -1.58 0.00 0.00 42.46 39.38 2dfj s ILE 123 CO 0.00 0.26 1.27 0.41 -1.23 0.00 0.00 174.94 175.65 2dfj n THR 124 N 4.83 0.78 -0.24 2.92 -1.04 -1.26 -4.85 114.28 115.41 2dfj n THR 124 Ca -0.14 -0.19 0.23 0.00 -2.04 0.00 0.00 64.05 61.91 2dfj n THR 124 Cb 0.49 -1.05 0.57 0.00 -1.82 0.00 0.00 70.33 68.52 2dfj n THR 124 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2dfj h PRO 125 N 3.85 0.28 0.00 -2.82 0.11 -1.84 -2.45 132.00 129.13 2dfj h PRO 125 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2dfj h PRO 125 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2dfj h PRO 125 CO 0.73 0.18 0.00 1.04 -0.21 0.00 0.00 178.00 179.75 2dfj n GLN 126 N -4.46 0.08 -4.06 1.05 6.02 -1.26 -4.53 117.38 110.22 2dfj n GLN 126 Ca 0.20 0.25 -0.12 0.00 -0.01 0.00 0.00 57.00 57.32 2dfj n GLN 126 Cb 0.81 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.46 2dfj n GLN 126 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 2dfj s TRP 127 N -2.80 0.63 0.62 1.08 -2.14 -0.92 -4.91 118.94 110.49 2dfj s TRP 127 Ca 0.08 -0.54 -0.04 0.00 2.66 0.00 0.00 56.10 58.27 2dfj s TRP 127 Cb 0.07 -0.38 0.04 0.00 -3.10 0.00 0.00 33.47 30.10 2dfj s TRP 127 CO 0.19 -0.11 0.89 0.16 -2.66 0.00 0.00 176.95 175.43 2dfj s ASP 128 N -1.68 5.17 0.20 -2.66 1.47 -1.26 -4.59 116.67 113.31 2dfj s ASP 128 Ca -0.09 0.34 -0.11 0.00 1.18 0.00 0.00 52.55 53.87 2dfj s ASP 128 Cb -0.09 -1.17 0.22 0.00 -0.34 0.00 0.00 42.92 41.54 2dfj s ASP 128 CO -0.00 -1.30 1.76 0.25 0.68 0.00 0.00 175.17 176.56 2dfj h LEU 129 N -0.24 0.28 -0.50 2.11 5.85 -1.97 0.12 115.31 120.97 2dfj h LEU 129 Ca -0.44 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.44 2dfj h LEU 129 Cb 1.29 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.24 2dfj h LEU 129 CO 0.58 0.18 -0.25 -0.61 -0.34 0.00 0.00 178.44 178.00 2dfj h GLN 130 N 0.45 -0.13 -0.16 1.25 5.75 -1.99 0.32 115.11 120.59 2dfj h GLN 130 Ca 0.27 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 2dfj h GLN 130 Cb 0.28 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2dfj h GLN 130 CO -0.25 -0.09 0.01 1.15 -2.65 0.00 0.00 178.83 177.00 2dfj h THR 131 N -0.14 1.25 -0.87 2.39 2.02 -1.63 -2.42 112.91 113.51 2dfj h THR 131 Ca 0.23 -0.82 0.14 0.00 0.77 0.00 0.00 66.41 66.72 2dfj h THR 131 Cb 0.49 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.31 2dfj h THR 131 CO -0.58 0.25 0.56 0.00 0.37 0.00 0.00 175.52 176.12 2dfj h ALA 132 N 0.78 1.84 -0.36 6.16 0.00 -0.19 -0.96 119.26 126.54 2dfj h ALA 132 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2dfj h ALA 132 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dfj h ALA 132 CO 0.01 -0.07 -0.19 -0.22 0.00 0.00 0.00 179.25 178.78 2dfj h LYS 133 N 0.68 0.76 -0.09 0.00 3.64 -0.16 -2.10 116.57 119.30 2dfj h LYS 133 Ca 0.43 -0.34 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2dfj h LYS 133 Cb 0.69 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2dfj h LYS 133 CO -0.19 0.96 -0.67 0.93 -2.27 0.00 0.00 179.45 178.20 2dfj h GLU 134 N 0.55 0.39 -0.24 1.90 5.08 -0.89 -2.30 114.58 119.07 2dfj h GLU 134 Ca 0.08 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 57.97 2dfj h GLU 134 Cb 0.74 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2dfj h GLU 134 CO 0.06 0.92 -0.53 0.00 -1.00 0.00 0.00 179.01 178.46 2dfj h ALA 136 N 0.87 -0.24 -0.77 0.00 0.00 -1.33 -2.70 119.26 115.10 2dfj h ALA 136 Ca 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.96 2dfj h ALA 136 Cb 1.09 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2dfj h ALA 136 CO 0.11 -0.57 0.32 0.00 0.00 0.00 0.00 179.25 179.11 2dfj h ARG 137 N -0.37 0.46 0.43 0.00 2.47 -1.42 -0.41 114.38 115.55 2dfj h ARG 137 Ca -0.02 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2dfj h ARG 137 Cb 0.28 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2dfj h ARG 137 CO 0.04 0.30 -0.21 -0.44 0.56 0.00 0.00 179.97 180.22 2dfj h ASP 138 N 0.47 -0.49 -0.64 7.04 5.19 -1.27 -0.10 116.42 126.62 2dfj h ASP 138 Ca 0.42 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 2dfj h ASP 138 Cb 0.63 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 2dfj h ASP 138 CO -0.39 -0.25 0.27 0.58 -3.12 0.00 0.00 179.24 176.33 2dfj h VAL 139 N -0.72 1.23 -0.88 -1.35 2.07 -1.39 -2.55 116.25 112.66 2dfj h VAL 139 Ca -0.06 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.85 2dfj h VAL 139 Cb 0.52 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2dfj h VAL 139 CO 0.10 0.28 0.53 -0.33 0.02 0.00 0.00 177.57 178.17 2dfj h GLU 140 N 0.89 0.86 -0.56 1.57 5.08 -1.00 -0.04 114.58 121.39 2dfj h GLU 140 Ca 0.21 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2dfj h GLU 140 Cb 0.18 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2dfj h GLU 140 CO -0.02 0.57 0.33 0.00 -1.00 0.00 0.00 179.01 178.90 2dfj h ALA 141 N 1.47 0.72 -0.11 3.43 0.00 -0.61 0.12 119.26 124.27 2dfj h ALA 141 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 2dfj h ALA 141 Cb 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dfj h ALA 141 CO -0.24 0.05 0.02 0.28 0.00 0.00 0.00 179.25 179.36 2dfj h VAL 142 N 0.66 1.22 -0.72 0.00 2.07 -1.10 -3.00 116.25 115.39 2dfj h VAL 142 Ca 0.23 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2dfj h VAL 142 Cb 0.03 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2dfj h VAL 142 CO -0.10 0.20 0.47 -0.07 0.02 0.00 0.00 177.57 178.09 2dfj h LEU 143 N -0.04 0.57 -0.05 2.57 3.38 -0.73 -0.85 115.31 120.17 2dfj h LEU 143 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dfj h LEU 143 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2dfj h LEU 143 CO 0.00 0.35 0.00 -1.20 0.09 0.00 0.00 178.44 177.68 2dfj n SER 144 N -4.49 0.07 -4.94 -0.43 7.64 0.00 -4.61 113.62 106.87 2dfj n SER 144 Ca 0.11 -1.31 -0.21 0.00 1.01 0.00 0.00 58.87 58.48 2dfj n SER 144 Cb 0.31 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 2dfj n SER 144 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dfj s SER 145 N -1.71 5.99 0.59 6.43 1.04 -0.32 -4.99 113.70 120.73 2dfj s SER 145 Ca 0.34 -0.11 0.29 0.00 0.48 0.00 0.00 55.95 56.95 2dfj s SER 145 Cb 0.16 -1.52 1.76 0.00 0.10 0.00 0.00 66.02 66.51 2dfj s SER 145 CO 0.26 -0.19 2.22 0.44 0.98 0.00 0.00 173.24 176.95 2dfj h ASP 146 N 1.15 0.00 -0.83 7.02 3.32 -1.91 -2.17 116.42 123.00 2dfj h ASP 146 Ca -0.49 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.21 2dfj h ASP 146 Cb 1.24 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.58 2dfj h ASP 146 CO 0.58 0.00 0.42 -1.20 -1.72 0.00 0.00 179.24 177.33 2dfj n SER 147 N -3.87 4.19 -0.21 6.45 7.64 -1.26 -4.61 113.62 121.95 2dfj n SER 147 Ca -0.02 -3.43 0.06 0.00 1.01 0.00 0.00 58.87 56.48 2dfj n SER 147 Cb 0.14 -0.78 0.32 0.00 -1.01 0.00 0.00 64.21 62.88 2dfj n SER 147 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2dfj h TYR 148 N 1.80 0.85 -0.30 1.43 -0.00 -1.52 -2.36 116.97 116.86 2dfj h TYR 148 Ca 0.43 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 59.18 2dfj h TYR 148 Cb 2.54 -0.28 -0.01 0.00 -0.00 0.00 0.00 36.73 38.97 2dfj h TYR 148 CO 1.41 0.45 0.17 -1.35 -0.00 0.00 0.00 178.16 178.84 2dfj h PRO 149 N 0.84 0.40 -0.55 0.10 0.11 -1.87 -1.05 132.00 129.97 2dfj h PRO 149 Ca 0.33 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 2dfj h PRO 149 Cb 0.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2dfj h PRO 149 CO -0.11 0.28 -0.07 0.35 -0.21 0.00 0.00 178.00 178.24 2dfj h PHE 150 N 0.40 1.11 0.47 0.65 3.57 -1.80 -2.49 116.94 118.87 2dfj h PHE 150 Ca 0.11 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2dfj h PHE 150 Cb -0.01 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2dfj h PHE 150 CO 0.00 1.01 -0.34 0.35 -2.23 0.00 0.00 178.31 177.11 2dfj h PHE 151 N 0.91 -0.89 -0.88 0.41 3.57 -1.18 -2.15 116.94 116.72 2dfj h PHE 151 Ca 0.15 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.86 2dfj h PHE 151 Cb 0.62 0.33 -0.12 0.00 2.79 0.00 0.00 35.95 39.56 2dfj h PHE 151 CO 0.04 -0.50 0.38 -0.07 -2.23 0.00 0.00 178.31 175.93 2dfj h LEU 152 N -0.79 0.31 -0.57 0.59 3.38 -1.21 0.96 115.31 117.99 2dfj h LEU 152 Ca -0.05 0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2dfj h LEU 152 Cb 0.66 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2dfj h LEU 152 CO 0.02 0.00 0.02 -0.78 0.09 0.00 0.00 178.44 177.79 2dfj h ASP 153 N 0.40 0.97 0.21 -0.43 3.58 -1.40 -3.11 116.42 116.64 2dfj h ASP 153 Ca 0.55 -0.30 -0.15 0.00 0.42 0.00 0.00 57.03 57.55 2dfj h ASP 153 Cb 1.02 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2dfj h ASP 153 CO -0.52 1.03 -0.57 0.00 -2.88 0.00 0.00 179.24 176.30 2dfj h ALA 154 N 0.97 0.80 0.00 -0.78 0.00 0.13 -3.20 119.26 117.18 2dfj h ALA 154 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2dfj h ALA 154 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dfj h ALA 154 CO 0.03 0.70 0.15 1.98 0.00 0.00 0.00 179.25 182.10 2dfj h MET 155 N 0.28 0.00 0.00 0.00 1.85 0.46 -3.35 114.93 114.17 2dfj h MET 155 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2dfj h MET 155 Cb 1.08 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.11 2dfj h MET 155 CO 0.10 0.00 -0.02 1.88 -0.40 0.00 0.00 176.91 178.47 2dfj h TYR 156 N 0.00 0.00 -2.53 1.39 0.99 -1.67 -3.44 116.97 111.70 2dfj h TYR 156 Ca 0.00 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.46 2dfj h TYR 156 Cb 0.30 0.00 0.16 0.00 1.00 0.00 0.00 36.73 38.18 2dfj h TYR 156 CO 0.00 0.02 -0.07 0.41 -0.00 0.00 0.00 178.16 178.51 2dfj n GLY 157 N -0.13 -3.59 0.00 3.88 0.00 -1.26 -5.03 105.19 99.06 2dfj n GLY 157 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2dfj n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfj n ASP 158 N -4.91 0.97 -0.66 1.61 9.92 -1.26 -4.99 116.55 117.23 2dfj n ASP 158 Ca 0.10 -0.19 0.06 0.00 -0.53 0.00 0.00 54.79 54.24 2dfj n ASP 158 Cb 0.44 0.58 0.18 0.00 -0.64 0.00 0.00 41.12 41.67 2dfj n ASP 158 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2dfj n MET 159 N -0.67 2.85 -3.17 -1.24 1.56 -1.26 -4.61 117.12 110.57 2dfj n MET 159 Ca 0.00 -2.31 -0.40 0.00 -0.27 0.00 0.00 57.70 54.72 2dfj n MET 159 Cb 0.00 -1.46 -0.06 0.00 2.15 0.00 0.00 33.22 33.84 2dfj n MET 159 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2dfj s PRO 160 N -1.71 4.16 -0.09 2.12 0.05 -1.26 -4.98 135.00 133.29 2dfj s PRO 160 Ca 0.29 0.50 0.17 0.00 0.05 0.00 0.00 61.00 62.00 2dfj s PRO 160 Cb 0.20 -3.60 -0.25 0.00 0.05 0.00 0.00 34.50 30.90 2dfj s PRO 160 CO 0.12 -0.26 0.24 0.09 0.05 0.00 0.00 177.00 177.24 2dfj n ASN 161 N 5.17 0.82 -4.43 6.66 3.02 -1.26 -4.58 115.26 120.66 2dfj n ASN 161 Ca -0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.19 2dfj n ASN 161 Cb 0.50 1.42 -0.13 0.00 -0.61 0.00 0.00 39.78 40.95 2dfj n ASN 161 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2dfj s ASN 162 N -4.55 4.25 0.40 6.41 0.01 -1.26 -2.79 114.94 117.42 2dfj s ASN 162 Ca -0.07 -0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 51.57 2dfj s ASN 162 Cb 0.09 -1.53 -0.09 0.00 0.41 0.00 0.00 41.25 40.13 2dfj s ASN 162 CO 0.73 0.20 1.32 0.86 -1.51 0.00 0.00 177.10 178.70 2dfj s TRP 163 N 0.13 2.80 -0.44 2.20 -0.11 -1.26 -4.99 118.94 117.26 2dfj s TRP 163 Ca -0.05 1.39 0.04 0.00 1.22 0.00 0.00 56.10 58.70 2dfj s TRP 163 Cb -0.15 -3.71 0.26 0.00 -1.50 0.00 0.00 33.47 28.37 2dfj s TRP 163 CO 0.04 -2.18 1.01 0.45 -4.62 0.00 0.00 176.95 171.65 2dfj n SER 164 N 0.17 -2.42 0.00 5.86 2.88 -1.26 -5.05 113.62 113.80 2dfj n SER 164 Ca 0.03 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.66 2dfj n SER 164 Cb 0.43 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.43 2dfj n SER 164 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2dfj n PRO 165 N 1.50 0.00 -0.11 -1.46 -0.02 -1.26 -0.88 135.00 132.76 2dfj n PRO 165 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.65 2dfj n PRO 165 Cb 0.66 0.00 0.46 0.00 -0.02 0.00 0.00 33.50 34.59 2dfj n PRO 165 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2dfj h GLU 166 N 0.00 0.49 -6.19 -0.52 4.39 -2.01 -3.45 114.58 107.30 2dfj h GLU 166 Ca 0.00 -0.03 -0.70 0.00 0.34 0.00 0.00 59.36 58.97 2dfj h GLU 166 Cb 0.00 -0.11 0.07 0.00 -0.10 0.00 0.00 28.75 28.61 2dfj h GLU 166 CO 0.00 0.33 0.19 -0.11 -1.16 0.00 0.00 179.01 178.26 2dfj n LEU 167 N -4.48 0.89 -4.08 1.33 7.94 -0.06 -5.00 117.00 113.54 2dfj n LEU 167 Ca 0.10 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 56.01 2dfj n LEU 167 Cb 0.34 -1.10 -0.05 0.00 0.53 0.00 0.00 43.42 43.13 2dfj n LEU 167 CO 0.34 -1.55 0.10 0.00 -1.11 0.00 0.00 177.39 175.16 2dfj s ARG 168 N -0.09 1.72 4.14 1.96 1.70 -1.26 -4.75 118.95 122.37 2dfj s ARG 168 Ca 0.80 -1.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2dfj s ARG 168 Cb -1.00 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 33.81 2dfj s ARG 168 CO 0.52 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 2dfj n GLY 169 N -0.48 1.06 0.37 3.88 0.00 -1.26 -3.26 105.19 105.49 2dfj n GLY 169 Ca 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.45 2dfj n GLY 169 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dfj h LEU 170 N 0.00 0.81 0.07 0.99 3.38 -2.00 -1.47 115.31 117.08 2dfj h LEU 170 Ca 0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dfj h LEU 170 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2dfj h LEU 170 CO 0.00 0.39 -0.09 1.23 0.09 0.00 0.00 178.44 180.05 2dfj h GLY 171 N 0.84 -0.17 0.91 0.83 0.00 -1.95 -1.46 103.07 102.06 2dfj h GLY 171 Ca 0.51 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.96 2dfj h GLY 171 CO -0.28 -0.10 0.21 -0.09 0.00 0.00 0.00 176.54 176.28 2dfj h ARG 172 N -0.20 0.41 -0.09 4.80 2.43 -1.25 -1.48 114.38 119.00 2dfj h ARG 172 Ca 0.01 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 2dfj h ARG 172 Cb 0.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2dfj h ARG 172 CO -0.04 0.27 -0.78 1.37 -1.51 0.00 0.00 179.97 179.28 2dfj h LEU 173 N 0.42 0.63 -0.40 3.80 8.10 -1.51 -2.70 115.31 123.65 2dfj h LEU 173 Ca 0.14 -0.43 0.07 0.00 0.11 0.00 0.00 57.88 57.78 2dfj h LEU 173 Cb 0.01 -0.19 -0.06 0.00 -0.44 0.00 0.00 40.66 39.98 2dfj h LEU 173 CO -0.07 1.19 0.01 0.03 -4.11 0.00 0.00 178.44 175.49 2dfj h ARG 174 N 0.35 0.12 -0.28 0.17 3.08 -1.00 -0.57 114.38 116.24 2dfj h ARG 174 Ca -0.04 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2dfj h ARG 174 Cb 1.37 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 2dfj h ARG 174 CO 0.14 0.08 0.10 0.35 -1.07 0.00 0.00 179.97 179.56 2dfj h PHE 175 N 0.12 0.17 -0.49 3.04 3.57 -1.19 -1.58 116.94 120.59 2dfj h PHE 175 Ca 0.20 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 2dfj h PHE 175 Cb 0.27 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2dfj h PHE 175 CO -0.26 0.08 -0.21 -0.84 -2.23 0.00 0.00 178.31 174.85 2dfj h ILE 176 N 0.22 1.27 -0.96 1.41 3.07 -1.07 0.40 117.51 121.85 2dfj h ILE 176 Ca 0.13 -1.37 0.03 0.00 1.55 0.00 0.00 64.86 65.19 2dfj h ILE 176 Cb 0.10 1.11 -0.05 0.00 -0.27 0.00 0.00 36.82 37.70 2dfj h ILE 176 CO -0.13 0.48 0.63 0.74 -1.05 0.00 0.00 178.15 178.82 2dfj h THR 177 N 0.87 1.19 -0.43 0.16 2.02 -1.05 -1.38 112.91 114.29 2dfj h THR 177 Ca 0.11 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 2dfj h THR 177 Cb 0.79 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2dfj h THR 177 CO 0.07 0.23 -0.24 0.78 0.37 0.00 0.00 175.52 176.72 2dfj h ASN 178 N 1.24 0.96 -0.33 4.18 2.35 -0.35 -1.46 115.58 122.16 2dfj h ASN 178 Ca 0.37 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2dfj h ASN 178 Cb -0.05 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2dfj h ASN 178 CO -0.10 1.16 0.08 0.00 -1.65 0.00 0.00 177.43 176.92 2dfj h ALA 179 N 0.83 0.44 -0.03 -0.83 0.00 -0.56 -1.48 119.26 117.61 2dfj h ALA 179 Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2dfj h ALA 179 Cb 0.81 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dfj h ALA 179 CO 0.07 0.10 -0.30 0.74 0.00 0.00 0.00 179.25 179.86 2dfj h PHE 180 N 0.38 0.36 0.00 0.00 0.04 -1.29 -3.39 116.94 113.05 2dfj h PHE 180 Ca 0.10 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2dfj h PHE 180 Cb 0.29 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2dfj h PHE 180 CO 0.01 0.93 -1.47 0.25 -0.60 0.00 0.00 178.31 177.44 2dfj n THR 181 N -4.46 0.00 -3.13 -1.55 -2.24 -0.55 0.34 114.28 102.68 2dfj n THR 181 Ca -0.09 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 2dfj n THR 181 Cb 0.50 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2dfj n THR 181 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dfj n ARG 182 N -1.88 0.45 -4.51 -0.78 1.85 -0.57 -3.65 116.66 107.56 2dfj n ARG 182 Ca -0.02 -2.77 -0.22 0.00 -1.00 0.00 0.00 57.85 53.85 2dfj n ARG 182 Cb 0.36 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 30.12 2dfj n ARG 182 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 2dfj s MET 183 N 0.03 1.19 0.02 2.89 1.75 -1.14 -4.56 119.30 119.47 2dfj s MET 183 Ca 0.33 -0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.38 2dfj s MET 183 Cb 0.08 -1.08 0.00 0.00 2.84 0.00 0.00 34.83 36.67 2dfj s MET 183 CO -0.15 0.15 0.00 0.54 -0.65 0.00 0.00 175.02 174.91 2dfj n ARG 184 N 3.25 0.00 -3.82 4.11 1.74 -1.26 -4.84 116.66 115.84 2dfj n ARG 184 Ca -0.18 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.55 2dfj n ARG 184 Cb 0.54 -0.01 -0.05 0.00 -1.02 0.00 0.00 32.46 31.92 2dfj n ARG 184 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2dfj s PHE 185 N -1.07 3.59 0.11 -1.55 0.40 -1.26 -1.92 117.98 116.28 2dfj s PHE 185 Ca 0.00 0.54 0.10 0.00 -0.60 0.00 0.00 56.93 56.97 2dfj s PHE 185 Cb 0.00 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 2dfj s PHE 185 CO 0.00 0.67 -0.24 0.00 0.70 0.00 0.00 175.22 176.34 2dfj s PHE 187 N -1.04 2.06 0.40 0.00 0.40 -1.26 -1.25 117.98 117.29 2dfj s PHE 187 Ca 0.15 1.20 0.17 0.00 -0.60 0.00 0.00 56.93 57.85 2dfj s PHE 187 Cb -0.10 -3.19 1.07 0.00 0.51 0.00 0.00 43.02 41.30 2dfj s PHE 187 CO 0.06 -2.80 1.81 -1.00 0.70 0.00 0.00 175.22 174.00 2dfj h PRO 188 N -1.84 0.42 -7.52 0.24 0.13 -1.94 -3.39 132.00 118.10 2dfj h PRO 188 Ca -0.52 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.12 2dfj h PRO 188 Cb 1.30 -0.09 0.11 0.00 0.13 0.00 0.00 31.00 32.45 2dfj h PRO 188 CO 0.54 0.28 0.31 0.54 -0.23 0.00 0.00 178.00 179.44 2dfj s ASN 189 N -5.45 4.06 0.00 1.44 4.22 -1.26 -4.93 114.94 113.02 2dfj s ASN 189 Ca -0.09 0.31 0.00 0.00 -2.14 0.00 0.00 52.86 50.94 2dfj s ASN 189 Cb 0.24 -0.67 0.00 0.00 1.28 0.00 0.00 41.25 42.10 2dfj s ASN 189 CO 0.79 -2.11 0.56 0.61 -2.04 0.00 0.00 177.10 174.91 2dfj n GLY 190 N -3.29 1.15 3.46 0.45 0.00 -1.26 -4.88 105.19 100.83 2dfj n GLY 190 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2dfj n GLY 190 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dfj s GLN 191 N 0.29 -2.19 -0.10 1.61 2.00 -1.26 -4.57 119.66 115.44 2dfj s GLN 191 Ca 0.00 -0.09 0.02 0.00 -2.00 0.00 0.00 55.36 53.30 2dfj s GLN 191 Cb 0.00 -1.48 0.01 0.00 0.80 0.00 0.00 33.01 32.34 2dfj s GLN 191 CO 0.00 -4.35 -0.17 -0.51 -0.50 0.00 0.00 175.29 169.77 2dfj s LEU 192 N -7.39 1.80 -0.19 3.68 1.43 -1.12 -4.00 118.68 112.90 2dfj s LEU 192 Ca 0.71 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 2dfj s LEU 192 Cb -0.09 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 2dfj s LEU 192 CO 0.56 0.06 0.21 -0.62 0.23 0.00 0.00 176.35 176.79 2dfj s ASP 193 N 0.74 6.31 -0.19 2.29 2.15 -0.58 -4.91 116.67 122.47 2dfj s ASP 193 Ca -0.12 0.35 0.16 0.00 0.43 0.00 0.00 52.55 53.37 2dfj s ASP 193 Cb -0.16 -2.13 0.56 0.00 -0.30 0.00 0.00 42.92 40.89 2dfj s ASP 193 CO 0.02 0.13 1.46 0.80 -0.17 0.00 0.00 175.17 177.42 2dfj n MET 194 N 3.61 3.11 0.00 4.34 1.56 -1.26 -4.33 117.12 124.15 2dfj n MET 194 Ca -0.14 -2.89 0.00 0.00 -0.27 0.00 0.00 57.70 54.40 2dfj n MET 194 Cb 0.52 -1.89 0.00 0.00 2.15 0.00 0.00 33.22 33.99 2dfj n MET 194 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2dfj n TYR 195 N -0.41 0.00 -3.77 1.12 4.02 -1.26 -5.05 117.16 111.81 2dfj n TYR 195 Ca 0.22 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.75 2dfj n TYR 195 Cb 0.93 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.18 2dfj n TYR 195 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2dfj s SER 196 N -2.09 6.34 -0.47 7.72 1.04 -1.26 -5.03 113.70 119.95 2dfj s SER 196 Ca 0.00 0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.86 2dfj s SER 196 Cb 0.00 -2.10 0.16 0.00 0.10 0.00 0.00 66.02 64.18 2dfj s SER 196 CO 0.00 0.28 0.33 -0.54 0.98 0.00 0.00 173.24 174.29 2dfj s LYS 197 N -0.32 1.26 0.09 4.02 1.02 -1.26 -4.66 119.74 119.88 2dfj s LYS 197 Ca 0.13 -2.21 -0.11 0.00 0.02 0.00 0.00 55.97 53.79 2dfj s LYS 197 Cb -0.12 -2.03 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 2dfj s LYS 197 CO 0.02 -1.28 0.26 -1.21 -0.92 0.00 0.00 175.35 172.22 2dfj s GLU 198 N -0.02 0.88 0.17 1.68 2.02 -1.26 -4.93 118.70 117.25 2dfj s GLU 198 Ca 0.25 -0.79 -0.33 0.00 0.02 0.00 0.00 54.97 54.12 2dfj s GLU 198 Cb -0.09 0.37 -0.14 0.00 0.10 0.00 0.00 34.13 34.37 2dfj s GLU 198 CO -0.11 -0.30 1.56 -1.13 0.02 0.00 0.00 175.26 175.31 2dfj n SER 199 N 0.07 3.11 -0.12 -0.19 3.41 -1.26 -4.72 113.62 113.92 2dfj n SER 199 Ca -0.16 1.09 0.09 0.00 -0.26 0.00 0.00 58.87 59.62 2dfj n SER 199 Cb 0.62 -1.44 0.16 0.00 -0.26 0.00 0.00 64.21 63.29 2dfj n SER 199 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2dfj n PRO 200 N 3.25 -0.02 -1.21 4.33 -0.02 -1.26 0.15 135.00 140.22 2dfj n PRO 200 Ca 0.16 0.50 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 2dfj n PRO 200 Cb 0.29 -0.85 0.18 0.00 -0.02 0.00 0.00 33.50 33.10 2dfj n PRO 200 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2dfj n GLU 201 N -4.02 2.26 0.00 -0.52 0.00 -1.26 -3.25 120.64 113.85 2dfj n GLU 201 Ca 0.11 -2.97 0.00 0.00 0.00 0.00 0.00 57.16 54.30 2dfj n GLU 201 Cb 0.37 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2dfj n GLU 201 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2dfj n GLU 202 N -1.11 1.24 -1.58 3.44 1.02 0.12 -5.06 120.64 118.71 2dfj n GLU 202 Ca 0.59 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 57.25 2dfj n GLU 202 Cb 1.66 -0.89 -0.04 0.00 -0.02 0.00 0.00 31.44 32.15 2dfj n GLU 202 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dfj n ALA 203 N -1.24 -0.74 -0.41 0.62 0.00 -1.17 -4.97 120.51 112.58 2dfj n ALA 203 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 53.44 53.61 2dfj n ALA 203 Cb 0.00 -2.02 0.27 0.00 0.00 0.00 0.00 19.45 17.71 2dfj n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dfj s PRO 204 N -0.57 -1.65 0.00 0.00 0.04 -1.26 -4.89 135.00 126.67 2dfj s PRO 204 Ca 0.71 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2dfj s PRO 204 Cb -0.83 -1.48 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2dfj s PRO 204 CO 0.53 -4.18 0.63 0.00 0.04 0.00 0.00 177.00 174.03 2dfj n ALA 205 N -5.22 0.00 1.47 8.56 0.00 -1.26 -2.68 120.51 121.39 2dfj n ALA 205 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2dfj n ALA 205 Cb 0.55 0.32 0.73 0.00 0.00 0.00 0.00 19.45 21.04 2dfj n ALA 205 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dfj n PRO 206 N -1.87 0.57 -2.59 0.00 -0.04 -1.26 -4.83 135.00 124.97 2dfj n PRO 206 Ca 0.00 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 2dfj n PRO 206 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2dfj n PRO 206 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dfj s LEU 207 N -2.49 3.84 0.07 1.53 1.43 -1.09 -3.77 118.68 118.20 2dfj s LEU 207 Ca 0.30 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2dfj s LEU 207 Cb 0.20 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2dfj s LEU 207 CO 0.46 -1.02 0.16 -1.59 0.23 0.00 0.00 176.35 174.59 2dfj s LYS 208 N 3.96 3.21 0.61 1.70 0.00 -0.38 -4.86 119.74 123.98 2dfj s LYS 208 Ca 0.48 -0.54 -0.19 0.00 0.00 0.00 0.00 55.97 55.71 2dfj s LYS 208 Cb -0.11 -2.91 -0.03 0.00 0.00 0.00 0.00 37.83 34.78 2dfj s LYS 208 CO 0.21 0.59 1.32 -2.14 0.00 0.00 0.00 175.35 175.33 2dfj s PRO 209 N -2.46 2.78 0.24 1.78 0.02 -1.26 -0.20 135.00 135.90 2dfj s PRO 209 Ca 0.33 2.12 -0.05 0.00 0.02 0.00 0.00 61.00 63.42 2dfj s PRO 209 Cb -0.13 -2.00 0.37 0.00 0.02 0.00 0.00 34.50 32.77 2dfj s PRO 209 CO 0.26 -1.44 1.80 0.11 -0.33 0.00 0.00 177.00 177.40 2dfj h TRP 210 N 0.89 0.80 0.00 6.54 0.09 -1.71 -1.33 115.95 121.23 2dfj h TRP 210 Ca -0.51 0.03 0.00 0.00 0.09 0.00 0.00 58.89 58.50 2dfj h TRP 210 Cb 1.32 -0.24 0.00 0.00 0.08 0.00 0.00 29.16 30.32 2dfj h TRP 210 CO 0.43 0.32 0.00 0.27 0.09 0.00 0.00 178.44 179.56 2dfj h PHE 211 N 0.75 0.00 -0.00 0.12 -5.15 -1.91 -1.75 116.94 109.00 2dfj h PHE 211 Ca 0.38 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.15 2dfj h PHE 211 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.52 2dfj h PHE 211 CO -0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 178.31 176.23 2dfj n ALA 212 N -1.85 2.66 -3.51 12.09 0.00 -0.50 -4.53 120.51 124.87 2dfj n ALA 212 Ca 0.01 -0.23 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 2dfj n ALA 212 Cb 0.23 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 2dfj n ALA 212 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dfj s ILE 213 N -2.06 3.92 0.06 0.00 -1.09 -0.66 -5.00 121.20 116.36 2dfj s ILE 213 Ca 0.44 -1.67 -0.37 0.00 -2.23 0.00 0.00 60.65 56.82 2dfj s ILE 213 Cb 0.22 -3.51 -0.16 0.00 -1.58 0.00 0.00 42.46 37.43 2dfj s ILE 213 CO 0.38 -0.61 1.42 -2.65 -1.23 0.00 0.00 174.94 172.25 2dfj n PRO 214 N 4.82 1.30 -4.31 2.79 -0.02 -1.26 -4.67 135.00 133.65 2dfj n PRO 214 Ca -0.08 0.47 -0.16 0.00 -2.02 0.00 0.00 63.50 61.71 2dfj n PRO 214 Cb 0.42 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 2dfj n PRO 214 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2dfj s GLY 215 N 0.89 1.48 0.36 -1.23 0.00 -1.26 -4.93 107.32 102.63 2dfj s GLY 215 Ca 0.85 -1.73 0.08 0.00 0.00 0.00 0.00 44.72 43.92 2dfj s GLY 215 CO 0.47 -1.63 1.88 -2.55 0.00 0.00 0.00 173.10 171.28 2dfj h PRO 216 N 2.52 0.32 0.02 2.90 0.11 -1.82 -2.91 132.00 133.14 2dfj h PRO 216 Ca -0.38 -0.08 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 2dfj h PRO 216 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2dfj h PRO 216 CO 0.64 0.45 -0.93 0.28 -0.21 0.00 0.00 178.00 178.23 2dfj h VAL 217 N 0.31 1.58 0.00 3.15 2.07 -1.94 -3.17 116.25 118.25 2dfj h VAL 217 Ca 0.06 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.66 2dfj h VAL 217 Cb 0.40 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2dfj h VAL 217 CO 0.02 0.84 0.00 0.00 0.02 0.00 0.00 177.57 178.45 2dfj n ALA 218 N -2.42 2.07 -0.44 1.67 0.00 -1.10 -0.83 120.51 119.46 2dfj n ALA 218 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.38 2dfj n ALA 218 Cb 0.86 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 19.15 2dfj n ALA 218 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2dfj n GLU 219 N -1.21 2.79 0.00 0.00 0.28 -1.20 -4.48 120.64 116.83 2dfj n GLU 219 Ca 0.11 -2.22 0.00 0.00 -0.16 0.00 0.00 57.16 54.88 2dfj n GLU 219 Cb 0.13 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 31.60 2dfj n GLU 219 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2dfj n GLU 220 N -0.06 5.72 -4.38 3.44 -0.58 -1.04 -5.12 120.64 118.62 2dfj n GLU 220 Ca 0.13 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.67 2dfj n GLU 220 Cb 0.54 -0.48 -0.14 0.00 -0.57 0.00 0.00 31.44 30.80 2dfj n GLU 220 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2dfj s TYR 221 N -0.00 1.05 0.27 -0.32 1.51 -0.01 -4.93 117.35 114.92 2dfj s TYR 221 Ca 0.00 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 2dfj s TYR 221 Cb 0.00 -0.65 -0.09 0.00 -0.11 0.00 0.00 41.96 41.11 2dfj s TYR 221 CO 0.00 0.00 1.24 -1.12 -1.11 0.00 0.00 175.55 174.56 2dfj s SER 222 N -0.74 6.98 -0.17 2.29 0.01 -0.32 -4.43 113.70 117.31 2dfj s SER 222 Ca 0.02 2.45 -0.03 0.00 1.31 0.00 0.00 55.95 59.70 2dfj s SER 222 Cb -0.06 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2dfj s SER 222 CO 0.00 -0.41 -0.06 -0.63 0.41 0.00 0.00 173.24 172.55 2dfj s ILE 223 N -0.70 3.50 -0.01 1.44 -1.09 0.48 -1.10 121.20 123.72 2dfj s ILE 223 Ca 0.50 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.48 2dfj s ILE 223 Cb -0.36 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 2dfj s ILE 223 CO 0.44 0.48 -0.11 0.00 -1.23 0.00 0.00 174.94 174.51 2dfj s ALA 224 N 0.74 2.83 0.23 9.38 0.00 0.15 0.17 121.76 135.27 2dfj s ALA 224 Ca -0.03 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 2dfj s ALA 224 Cb -0.15 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.00 2dfj s ALA 224 CO 0.02 0.59 0.84 -0.59 0.00 0.00 0.00 175.76 176.61 2dfj s PHE 225 N -0.89 -0.12 -0.30 0.00 -0.12 -0.69 -2.83 117.98 113.03 2dfj s PHE 225 Ca 0.15 -0.29 -0.13 0.00 -0.05 0.00 0.00 56.93 56.60 2dfj s PHE 225 Cb -0.11 0.69 0.18 0.00 -0.63 0.00 0.00 43.02 43.15 2dfj s PHE 225 CO 0.05 -1.09 1.08 0.20 -0.05 0.00 0.00 175.22 175.41 2dfj s GLY 226 N -2.97 -0.58 0.00 1.99 0.00 -0.31 -0.86 107.32 104.59 2dfj s GLY 226 Ca 0.12 2.52 0.00 0.00 0.00 0.00 0.00 44.72 47.36 2dfj s GLY 226 CO 0.05 3.98 0.00 -2.39 0.00 0.00 0.00 173.10 174.75 2dfj n HIS 227 N 5.30 0.00 -1.89 1.90 1.44 -1.20 -4.36 115.22 116.41 2dfj n HIS 227 Ca 0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2dfj n HIS 227 Cb 0.56 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.67 2dfj n HIS 227 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 2dfj n TRP 228 N -0.02 3.71 -0.36 -1.40 -0.00 -1.26 -4.74 117.44 113.36 2dfj n TRP 228 Ca 0.00 -2.89 0.09 0.00 -0.00 0.00 0.00 57.50 54.70 2dfj n TRP 228 Cb 0.00 -2.55 0.26 0.00 -0.00 0.00 0.00 31.31 29.03 2dfj n TRP 228 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2dfj h ALA 229 N 6.44 1.56 -1.02 5.87 0.00 -1.94 -2.93 119.26 127.25 2dfj h ALA 229 Ca 0.54 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.73 2dfj h ALA 229 Cb 0.69 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 2dfj h ALA 229 CO 1.80 0.15 0.62 0.77 0.00 0.00 0.00 179.25 182.59 2dfj h SER 230 N 0.93 0.61 1.07 0.00 0.02 -1.88 -1.52 113.55 112.79 2dfj h SER 230 Ca 0.52 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 2dfj h SER 230 Cb 0.61 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2dfj h SER 230 CO -0.30 0.11 -0.29 0.00 -1.14 0.00 0.00 176.83 175.21 2dfj n LEU 231 N -4.80 0.63 -3.59 5.07 -0.00 -1.10 -4.34 117.00 108.87 2dfj n LEU 231 Ca 0.26 0.37 -0.21 0.00 -0.00 0.00 0.00 56.01 56.44 2dfj n LEU 231 Cb 0.78 -0.28 0.06 0.00 -0.00 0.00 0.00 43.42 43.98 2dfj n LEU 231 CO 0.20 -0.08 0.08 -0.62 -0.00 0.00 0.00 177.39 176.97 2dfj n GLU 232 N -2.02 -6.24 -3.96 1.47 1.02 -0.57 -2.45 120.64 107.89 2dfj n GLU 232 Ca 0.05 0.75 -0.30 0.00 -0.02 0.00 0.00 57.16 57.64 2dfj n GLU 232 Cb 0.41 -5.63 -0.01 0.00 -0.02 0.00 0.00 31.44 26.19 2dfj n GLU 232 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dfj n GLY 233 N -1.47 -0.47 0.00 0.62 0.00 -1.25 -4.94 105.19 97.67 2dfj n GLY 233 Ca -0.21 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2dfj n GLY 233 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dfj n LYS 234 N -4.46 0.00 -0.72 1.61 3.00 -1.03 -4.87 118.16 111.69 2dfj n LYS 234 Ca -0.24 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.84 2dfj n LYS 234 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.66 2dfj n LYS 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dfj n GLY 235 N 5.00 2.86 3.88 3.14 0.00 -1.26 -4.87 105.19 113.94 2dfj n GLY 235 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2dfj n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfj s THR 236 N 3.84 5.27 1.03 2.61 -4.23 -1.26 -5.05 115.64 117.86 2dfj s THR 236 Ca 0.38 -0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.51 2dfj s THR 236 Cb 0.10 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.69 2dfj s THR 236 CO -0.00 0.32 1.18 -2.16 -0.54 0.00 0.00 174.62 173.42 2dfj s PRO 237 N -1.91 0.11 0.34 3.99 0.04 -1.26 -4.90 135.00 131.41 2dfj s PRO 237 Ca 0.26 -0.05 -0.28 0.00 0.04 0.00 0.00 61.00 60.97 2dfj s PRO 237 Cb -0.12 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 2dfj s PRO 237 CO 0.18 -2.83 1.33 -0.85 0.04 0.00 0.00 177.00 174.87 2dfj n GLU 238 N -4.14 2.22 0.00 4.56 0.00 -1.26 -2.22 120.64 119.80 2dfj n GLU 238 Ca 0.12 0.78 0.00 0.00 0.00 0.00 0.00 57.16 58.05 2dfj n GLU 238 Cb 0.59 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.64 2dfj n GLU 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dfj n GLY 239 N 0.83 1.82 3.34 -1.84 0.00 -1.26 -5.01 105.19 103.06 2dfj n GLY 239 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2dfj n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dfj s ILE 240 N -2.56 3.58 -0.22 -0.61 -1.09 -0.94 -0.39 121.20 118.98 2dfj s ILE 240 Ca 0.00 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 2dfj s ILE 240 Cb 0.00 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.25 2dfj s ILE 240 CO 0.00 0.38 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.64 2dfj s TYR 241 N 1.50 2.96 -0.50 3.97 1.51 0.13 -4.65 117.35 122.27 2dfj s TYR 241 Ca 0.06 -1.70 -0.15 0.00 -1.01 0.00 0.00 57.07 54.27 2dfj s TYR 241 Cb -0.15 -1.97 0.10 0.00 -0.11 0.00 0.00 41.96 39.83 2dfj s TYR 241 CO -0.02 -0.78 0.44 0.00 -1.11 0.00 0.00 175.55 174.08 2dfj s ALA 242 N 1.28 3.59 -0.63 3.71 0.00 -1.26 -1.70 121.76 126.75 2dfj s ALA 242 Ca 0.01 -2.32 0.24 0.00 0.00 0.00 0.00 51.96 49.89 2dfj s ALA 242 Cb -0.15 -3.14 0.24 0.00 0.00 0.00 0.00 23.12 20.07 2dfj s ALA 242 CO -0.09 -1.86 1.21 1.28 0.00 0.00 0.00 175.76 176.30 2dfj n LEU 243 N 5.20 0.66 -4.57 0.00 4.77 -0.04 -3.90 117.00 119.12 2dfj n LEU 243 Ca -0.13 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2dfj n LEU 243 Cb 0.42 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2dfj n LEU 243 CO 0.50 -0.02 1.12 -0.62 -1.33 0.00 0.00 177.39 177.04 2dfj s ASP 244 N -4.12 6.34 -0.34 -1.43 2.15 -1.26 -4.44 116.67 113.58 2dfj s ASP 244 Ca 0.05 -0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.05 2dfj s ASP 244 Cb 0.14 -2.56 0.52 0.00 -0.30 0.00 0.00 42.92 40.72 2dfj s ASP 244 CO 0.75 -1.61 1.54 0.35 -0.17 0.00 0.00 175.17 176.03 2dfj n THR 245 N 6.60 2.71 -3.64 1.71 -2.24 -1.26 -3.97 114.28 114.18 2dfj n THR 245 Ca 0.07 -2.80 -0.27 0.00 -2.27 0.00 0.00 64.05 58.78 2dfj n THR 245 Cb 0.49 -0.46 0.04 0.00 -2.10 0.00 0.00 70.33 68.30 2dfj n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dfj n GLY 246 N -1.09 -0.86 0.14 3.38 0.00 -1.25 -1.28 105.19 104.23 2dfj n GLY 246 Ca 0.39 0.41 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 2dfj n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfj n TRP 249 N -4.10 0.00 -1.00 0.00 7.02 -1.06 -4.75 117.44 113.55 2dfj n TRP 249 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2dfj n TRP 249 Cb 0.40 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 2dfj n TRP 249 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2dfj n GLY 250 N 0.09 0.50 0.00 6.99 0.00 -1.08 -5.01 105.19 106.67 2dfj n GLY 250 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dfj n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfj n GLY 251 N -2.90 1.43 3.50 -0.02 0.00 -0.05 -4.71 105.19 102.44 2dfj n GLY 251 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2dfj n GLY 251 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dfj s SER 252 N -1.00 -0.51 -0.20 1.61 1.04 -0.41 -3.33 113.70 110.91 2dfj s SER 252 Ca 0.00 0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 2dfj s SER 252 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 2dfj s SER 252 CO 0.00 -0.65 0.15 -0.22 0.98 0.00 0.00 173.24 173.50 2dfj s LEU 253 N -1.88 4.21 -0.11 2.42 2.96 0.52 -2.57 118.68 124.23 2dfj s LEU 253 Ca -0.02 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2dfj s LEU 253 Cb -0.01 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2dfj s LEU 253 CO -0.02 0.17 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.16 2dfj s THR 254 N 0.38 3.07 -0.07 3.68 2.01 -1.26 -0.92 115.64 122.53 2dfj s THR 254 Ca 0.09 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2dfj s THR 254 Cb -0.11 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2dfj s THR 254 CO -0.01 0.54 -0.18 0.00 -0.69 0.00 0.00 174.62 174.27 2dfj s LEU 256 N -0.29 2.67 -0.19 0.00 2.96 -0.87 -0.11 118.68 122.85 2dfj s LEU 256 Ca 0.01 -0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 52.76 2dfj s LEU 256 Cb -0.13 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2dfj s LEU 256 CO 0.03 -0.07 1.23 -0.60 -1.32 0.00 0.00 176.35 175.61 2dfj s ARG 257 N 1.25 4.20 -0.00 1.98 3.52 0.02 -2.39 118.95 127.53 2dfj s ARG 257 Ca 0.01 1.55 -0.20 0.00 -0.13 0.00 0.00 55.73 56.96 2dfj s ARG 257 Cb -0.15 -3.76 -0.11 0.00 -1.56 0.00 0.00 34.95 29.37 2dfj s ARG 257 CO -0.09 -0.75 0.89 2.35 -0.81 0.00 0.00 175.30 176.89 2dfj h TRP 258 N 8.20 -0.66 -1.09 5.12 2.91 -1.33 0.15 115.95 129.25 2dfj h TRP 258 Ca -0.25 -0.02 0.30 0.00 1.13 0.00 0.00 58.89 60.05 2dfj h TRP 258 Cb 1.09 0.22 -0.08 0.00 -0.51 0.00 0.00 29.16 29.88 2dfj h TRP 258 CO 0.80 -0.41 0.73 1.05 -1.03 0.00 0.00 178.44 179.58 2dfj h GLU 259 N -1.06 0.24 -0.05 2.65 9.09 -1.93 -0.08 114.58 123.45 2dfj h GLU 259 Ca -0.07 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.32 2dfj h GLU 259 Cb 0.54 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 2dfj h GLU 259 CO 0.12 0.16 0.00 -0.40 0.05 0.00 0.00 179.01 178.94 2dfj n ASP 260 N -4.49 1.76 -3.78 3.06 3.85 -1.25 -5.01 116.55 110.68 2dfj n ASP 260 Ca 0.26 -1.43 -0.27 0.00 -0.71 0.00 0.00 54.79 52.65 2dfj n ASP 260 Cb 1.02 -0.03 0.04 0.00 -1.35 0.00 0.00 41.12 40.80 2dfj n ASP 260 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2dfj n LYS 261 N 0.32 -6.17 -3.73 0.11 4.76 0.45 -4.98 118.16 108.93 2dfj n LYS 261 Ca 0.04 0.67 -0.36 0.00 -2.87 0.00 0.00 58.31 55.80 2dfj n LYS 261 Cb 0.20 -5.57 -0.07 0.00 -1.84 0.00 0.00 35.03 27.75 2dfj n LYS 261 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2dfj s GLN 262 N -6.40 3.93 -0.06 1.97 0.74 -0.84 -4.88 119.66 114.12 2dfj s GLN 262 Ca 0.53 -0.08 -0.13 0.00 0.05 0.00 0.00 55.36 55.72 2dfj s GLN 262 Cb -0.25 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 2dfj s GLN 262 CO 0.80 0.48 0.33 0.71 -0.55 0.00 0.00 175.29 177.06 2dfj s TYR 263 N -0.20 3.65 0.01 1.67 1.51 -1.26 -0.80 117.35 121.92 2dfj s TYR 263 Ca 0.13 0.82 0.06 0.00 -1.01 0.00 0.00 57.07 57.08 2dfj s TYR 263 Cb -0.12 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 2dfj s TYR 263 CO 0.02 0.58 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.79 2dfj s PHE 264 N -0.74 1.69 -0.06 2.71 0.40 0.84 -5.00 117.98 117.82 2dfj s PHE 264 Ca 0.21 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2dfj s PHE 264 Cb -0.15 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.34 2dfj s PHE 264 CO 0.10 0.01 -0.09 0.08 0.70 0.00 0.00 175.22 176.02 2dfj s VAL 265 N -0.57 0.89 -0.24 -0.44 1.01 -1.26 -0.23 120.40 119.57 2dfj s VAL 265 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2dfj s VAL 265 Cb -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2dfj s VAL 265 CO 0.00 0.30 -0.03 -1.10 0.00 0.00 0.00 175.10 174.28 2dfj s GLN 266 N 0.81 3.22 1.07 2.72 -1.52 -0.10 -5.00 119.66 120.87 2dfj s GLN 266 Ca -0.12 -0.73 -0.15 0.00 -1.95 0.00 0.00 55.36 52.41 2dfj s GLN 266 Cb -0.15 -3.05 0.22 0.00 -0.22 0.00 0.00 33.01 29.81 2dfj s GLN 266 CO 0.02 -0.27 1.10 -2.14 -0.25 0.00 0.00 175.29 173.74 2dfj s PRO 267 N 1.45 -0.16 0.00 2.91 0.02 -1.26 -0.35 135.00 137.60 2dfj s PRO 267 Ca 0.04 0.30 0.19 0.00 0.02 0.00 0.00 61.00 61.55 2dfj s PRO 267 Cb -0.15 -1.69 1.12 0.00 0.02 0.00 0.00 34.50 33.80 2dfj s PRO 267 CO -0.03 -3.08 1.51 0.43 -0.33 0.00 0.00 177.00 175.51