#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfy s LYS 2 N 0.00 3.63 0.28 3.17 2.20 -1.26 -1.09 119.74 126.66 2jfy s LYS 2 Ca 0.00 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 2jfy s LYS 2 Cb 0.00 -3.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.20 2jfy s LYS 2 CO 0.00 0.03 0.05 0.96 -0.36 0.00 0.00 175.35 176.03 2jfy s ILE 3 N 0.94 0.96 0.10 5.43 -4.36 -0.25 -1.01 121.20 123.01 2jfy s ILE 3 Ca 0.01 -2.01 0.10 0.00 -0.26 0.00 0.00 60.65 58.49 2jfy s ILE 3 Cb -0.14 -2.61 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 2jfy s ILE 3 CO 0.02 -0.10 -0.24 -0.83 0.24 0.00 0.00 174.94 174.03 2jfy s GLY 4 N -3.38 1.58 -0.08 6.27 0.00 -0.24 -0.54 107.32 110.92 2jfy s GLY 4 Ca 0.34 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.71 2jfy s GLY 4 CO 0.13 -1.33 -0.15 0.14 0.00 0.00 0.00 173.10 171.89 2jfy s VAL 5 N -1.02 1.37 -0.09 1.40 1.01 0.09 -0.38 120.40 122.77 2jfy s VAL 5 Ca 0.15 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2jfy s VAL 5 Cb -0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2jfy s VAL 5 CO 0.06 0.41 -0.21 0.12 0.00 0.00 0.00 175.10 175.48 2jfy s PHE 6 N 0.73 2.58 0.13 5.22 5.36 0.12 -1.08 117.98 131.04 2jfy s PHE 6 Ca -0.13 -0.82 -0.09 0.00 -0.96 0.00 0.00 56.93 54.93 2jfy s PHE 6 Cb -0.16 -1.70 -0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2jfy s PHE 6 CO 0.03 -0.28 0.25 0.34 -1.46 0.00 0.00 175.22 174.10 2jfy s ASP 7 N 0.13 0.05 0.51 6.13 2.15 -0.85 -0.92 116.67 123.87 2jfy s ASP 7 Ca -0.11 -0.74 0.29 0.00 0.43 0.00 0.00 52.55 52.42 2jfy s ASP 7 Cb -0.16 0.40 1.29 0.00 -0.30 0.00 0.00 42.92 44.15 2jfy s ASP 7 CO 0.06 -0.82 1.97 0.77 -0.17 0.00 0.00 175.17 176.98 2jfy h SER 8 N 2.62 0.00 0.00 -0.34 4.64 -1.90 -1.87 113.55 116.70 2jfy h SER 8 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2jfy h SER 8 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jfy h SER 8 CO 0.51 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 2jfy n GLY 9 N -0.17 1.72 0.01 -0.77 0.00 -1.26 -2.38 105.19 102.33 2jfy n GLY 9 Ca -0.00 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.43 2jfy n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jfy n VAL 10 N 0.00 0.02 -0.22 1.61 0.24 -1.26 -4.37 118.33 114.35 2jfy n VAL 10 Ca 0.00 -0.11 0.06 0.00 -2.04 0.00 0.00 64.34 62.25 2jfy n VAL 10 Cb 0.00 0.69 0.33 0.00 -1.47 0.00 0.00 33.84 33.39 2jfy n VAL 10 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2jfy h GLY 11 N 4.79 1.06 1.82 7.63 0.00 -1.95 -1.20 103.07 115.21 2jfy h GLY 11 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2jfy h GLY 11 CO 0.00 0.23 0.05 0.61 0.00 0.00 0.00 176.54 177.43 2jfy n GLY 12 N -1.44 -0.47 0.24 4.60 0.00 -1.26 -1.18 105.19 105.68 2jfy n GLY 12 Ca 0.12 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2jfy n GLY 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jfy h PHE 13 N 0.00 0.00 -0.44 1.61 0.05 -1.53 -1.18 116.94 115.45 2jfy h PHE 13 Ca 0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 2jfy h PHE 13 Cb 0.09 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 2jfy h PHE 13 CO 0.00 0.20 0.21 0.66 -0.18 0.00 0.00 178.31 179.19 2jfy h SER 14 N 0.00 0.55 0.31 2.17 4.64 -1.36 0.34 113.55 120.19 2jfy h SER 14 Ca -0.00 -0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 60.94 2jfy h SER 14 Cb 0.46 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.44 2jfy h SER 14 CO 0.03 0.47 -1.44 0.58 -0.87 0.00 0.00 176.83 175.60 2jfy h VAL 15 N 0.62 1.31 -0.42 0.95 2.07 -1.49 -3.19 116.25 116.09 2jfy h VAL 15 Ca 0.16 -2.74 -0.03 0.00 0.82 0.00 0.00 66.70 64.91 2jfy h VAL 15 Cb 0.07 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2jfy h VAL 15 CO -0.02 0.82 0.13 0.25 0.02 0.00 0.00 177.57 178.77 2jfy h LEU 16 N 0.15 0.56 -0.87 2.57 5.85 -0.66 -0.20 115.31 122.71 2jfy h LEU 16 Ca -0.24 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2jfy h LEU 16 Cb 2.13 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.97 2jfy h LEU 16 CO 0.27 0.54 0.58 0.50 -0.34 0.00 0.00 178.44 179.98 2jfy h LYS 17 N 0.61 1.13 0.06 1.25 3.64 -0.38 -0.16 116.57 122.73 2jfy h LYS 17 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jfy h LYS 17 Cb 0.18 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2jfy h LYS 17 CO -0.01 0.75 -0.03 0.77 -2.27 0.00 0.00 179.45 178.66 2jfy h SER 18 N 1.17 -0.07 -0.67 4.20 0.02 -1.27 -2.21 113.55 114.71 2jfy h SER 18 Ca 0.32 -0.35 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 2jfy h SER 18 Cb -0.12 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 2jfy h SER 18 CO -0.08 0.32 0.30 -0.07 -1.14 0.00 0.00 176.83 176.16 2jfy h LEU 19 N -0.47 0.35 -0.32 5.07 3.38 -0.83 -1.45 115.31 121.04 2jfy h LEU 19 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2jfy h LEU 19 Cb 0.41 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jfy h LEU 19 CO 0.01 0.20 0.14 -0.07 0.09 0.00 0.00 178.44 178.82 2jfy h LEU 20 N 0.51 0.43 -1.20 1.67 3.38 -1.03 -2.58 115.31 116.49 2jfy h LEU 20 Ca 0.34 -0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.31 2jfy h LEU 20 Cb 0.39 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 2jfy h LEU 20 CO -0.29 0.45 0.60 0.50 0.09 0.00 0.00 178.44 179.79 2jfy h LYS 21 N 0.38 0.73 0.00 1.13 1.63 -0.66 0.10 116.57 119.87 2jfy h LYS 21 Ca 0.11 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2jfy h LYS 21 Cb 0.15 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2jfy h LYS 21 CO -0.01 0.48 0.00 0.00 -3.45 0.00 0.00 179.45 176.47 2jfy h ALA 22 N 1.59 1.00 -6.35 5.00 0.00 -0.92 -3.48 119.26 116.11 2jfy h ALA 22 Ca 0.48 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.93 2jfy h ALA 22 Cb 0.74 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jfy h ALA 22 CO -0.25 0.00 -0.90 0.54 0.00 0.00 0.00 179.25 178.65 2jfy n ARG 23 N -2.46 -2.90 -0.05 0.00 1.74 0.02 -3.87 116.66 109.13 2jfy n ARG 23 Ca 0.04 0.45 -0.15 0.00 -0.77 0.00 0.00 57.85 57.43 2jfy n ARG 23 Cb 0.39 -4.49 -0.14 0.00 -1.02 0.00 0.00 32.46 27.19 2jfy n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jfy n LEU 24 N -4.32 1.69 -4.49 0.55 4.77 -1.25 -2.46 117.00 111.50 2jfy n LEU 24 Ca -0.24 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 2jfy n LEU 24 Cb 0.66 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 41.24 2jfy n LEU 24 CO 0.72 0.67 -0.48 -0.36 -1.33 0.00 0.00 177.39 176.61 2jfy s PHE 25 N -2.55 2.58 0.01 -1.77 0.40 -1.26 -4.31 117.98 111.08 2jfy s PHE 25 Ca -0.18 -0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 55.76 2jfy s PHE 25 Cb 0.07 -1.40 -0.35 0.00 0.51 0.00 0.00 43.02 41.85 2jfy s PHE 25 CO 0.76 0.34 0.93 -0.44 0.70 0.00 0.00 175.22 177.51 2jfy h ASP 26 N 4.03 0.80 -3.68 1.36 3.32 -1.48 -3.44 116.42 117.34 2jfy h ASP 26 Ca -0.49 -0.92 -0.46 0.00 0.02 0.00 0.00 57.03 55.18 2jfy h ASP 26 Cb 1.16 -0.26 -0.32 0.00 0.22 0.00 0.00 39.33 40.13 2jfy h ASP 26 CO 0.47 1.73 -0.80 -1.61 -1.72 0.00 0.00 179.24 177.31 2jfy s GLU 27 N -2.59 1.20 -0.09 3.56 2.02 -0.92 -1.05 118.70 120.83 2jfy s GLU 27 Ca -0.11 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2jfy s GLU 27 Cb 0.04 -1.07 0.02 0.00 0.10 0.00 0.00 34.13 33.21 2jfy s GLU 27 CO 0.93 0.08 -0.12 0.42 0.02 0.00 0.00 175.26 176.59 2jfy s ILE 28 N 0.40 1.20 -0.40 -1.63 1.01 -0.45 -1.09 121.20 120.23 2jfy s ILE 28 Ca -0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 2jfy s ILE 28 Cb -0.12 -1.12 0.07 0.00 0.01 0.00 0.00 42.46 41.31 2jfy s ILE 28 CO 0.01 0.38 0.24 -0.63 0.00 0.00 0.00 174.94 174.94 2jfy s ILE 29 N 0.98 4.20 -0.17 2.92 -1.09 0.30 -1.10 121.20 127.25 2jfy s ILE 29 Ca -0.08 -1.32 -0.13 0.00 -2.23 0.00 0.00 60.65 56.89 2jfy s ILE 29 Cb -0.15 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2jfy s ILE 29 CO -0.00 -0.44 0.26 -0.47 -1.23 0.00 0.00 174.94 173.05 2jfy s TYR 30 N 1.43 3.45 -0.14 3.97 5.04 -0.12 -0.74 117.35 130.25 2jfy s TYR 30 Ca 0.02 0.55 0.01 0.00 -2.44 0.00 0.00 57.07 55.21 2jfy s TYR 30 Cb -0.22 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 39.81 2jfy s TYR 30 CO 0.03 0.26 -0.14 -0.47 -1.34 0.00 0.00 175.55 173.88 2jfy s TYR 31 N 0.42 2.10 -0.17 4.97 5.04 -0.24 -0.82 117.35 128.65 2jfy s TYR 31 Ca 0.15 -1.13 -0.00 0.00 -2.44 0.00 0.00 57.07 53.64 2jfy s TYR 31 Cb -0.13 -1.54 -0.00 0.00 0.35 0.00 0.00 41.96 40.64 2jfy s TYR 31 CO 0.03 -0.62 -0.14 0.20 -1.34 0.00 0.00 175.55 173.68 2jfy s GLY 32 N 1.36 1.49 -0.15 8.97 0.00 -0.03 -2.01 107.32 116.95 2jfy s GLY 32 Ca 0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 2jfy s GLY 32 CO -0.08 0.12 3.55 1.34 0.00 0.00 0.00 173.10 178.03 2jfy n ASP 33 N 4.23 5.56 0.21 1.64 2.03 -0.70 -2.22 116.55 127.29 2jfy n ASP 33 Ca -0.19 -2.51 0.11 0.00 0.52 0.00 0.00 54.79 52.72 2jfy n ASP 33 Cb 0.51 -1.43 0.59 0.00 -0.72 0.00 0.00 41.12 40.07 2jfy n ASP 33 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2jfy h SER 34 N 3.16 0.00 1.75 1.67 4.64 -1.78 -0.47 113.55 122.52 2jfy h SER 34 Ca 0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.53 2jfy h SER 34 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2jfy h SER 34 CO 0.37 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 176.15 2jfy h ALA 35 N 1.56 0.89 -0.00 5.18 0.00 -1.83 -3.35 119.26 121.70 2jfy h ALA 35 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jfy h ALA 35 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jfy h ALA 35 CO 0.00 0.23 -0.07 0.54 0.00 0.00 0.00 179.25 179.95 2jfy n ARG 36 N -3.15 3.18 -1.74 0.00 1.74 -0.23 -4.98 116.66 111.48 2jfy n ARG 36 Ca 0.03 -0.30 -0.38 0.00 -0.77 0.00 0.00 57.85 56.43 2jfy n ARG 36 Cb 0.59 -0.81 0.05 0.00 -1.02 0.00 0.00 32.46 31.26 2jfy n ARG 36 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2jfy n VAL 37 N -0.52 3.98 -2.61 1.55 3.14 -0.94 -4.53 118.33 118.39 2jfy n VAL 37 Ca 0.01 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.63 2jfy n VAL 37 Cb 0.06 -1.64 0.01 0.00 -1.06 0.00 0.00 33.84 31.21 2jfy n VAL 37 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2jfy s PRO 38 N -2.94 3.26 -0.18 1.45 0.04 -1.26 -5.04 135.00 130.33 2jfy s PRO 38 Ca 0.73 0.03 0.06 0.00 0.04 0.00 0.00 61.00 61.86 2jfy s PRO 38 Cb -0.41 -2.37 -0.22 0.00 0.04 0.00 0.00 34.50 31.54 2jfy s PRO 38 CO 0.48 -0.38 0.13 0.66 0.04 0.00 0.00 177.00 177.92 2jfy n TYR 39 N -2.35 0.43 0.07 0.56 4.02 -1.26 -4.57 117.16 114.06 2jfy n TYR 39 Ca 0.02 0.12 0.21 0.00 -0.01 0.00 0.00 57.90 58.24 2jfy n TYR 39 Cb 0.56 -1.07 0.73 0.00 -0.02 0.00 0.00 39.34 39.54 2jfy n TYR 39 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2jfy h GLY 40 N 2.62 0.00 -1.73 2.72 0.00 -1.97 -0.86 103.07 103.85 2jfy h GLY 40 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2jfy h GLY 40 CO 0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 2jfy n THR 41 N -3.69 0.41 -3.54 4.70 -2.24 -1.26 -1.29 114.28 107.36 2jfy n THR 41 Ca 0.09 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 61.03 2jfy n THR 41 Cb 0.68 0.70 0.02 0.00 -2.10 0.00 0.00 70.33 69.64 2jfy n THR 41 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jfy s LYS 42 N -1.59 2.26 0.47 -0.78 1.02 -0.33 -5.01 119.74 115.79 2jfy s LYS 42 Ca 0.36 -1.89 -0.06 0.00 0.02 0.00 0.00 55.97 54.40 2jfy s LYS 42 Cb 0.20 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2jfy s LYS 42 CO 0.29 -0.75 0.79 0.16 -0.92 0.00 0.00 175.35 174.92 2jfy s ASP 43 N -4.46 6.30 0.19 2.83 1.47 -1.26 -4.73 116.67 117.01 2jfy s ASP 43 Ca 0.45 0.98 -0.12 0.00 1.18 0.00 0.00 52.55 55.04 2jfy s ASP 43 Cb -0.04 -2.27 0.19 0.00 -0.34 0.00 0.00 42.92 40.47 2jfy s ASP 43 CO 0.28 -0.56 1.73 -0.65 0.68 0.00 0.00 175.17 176.66 2jfy h PRO 44 N 0.36 0.30 -0.28 2.11 0.11 -1.98 -1.65 132.00 130.98 2jfy h PRO 44 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2jfy h PRO 44 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2jfy h PRO 44 CO 0.62 0.20 0.14 1.15 -0.21 0.00 0.00 178.00 179.90 2jfy h THR 45 N 0.31 1.00 -0.23 -1.15 2.02 -1.98 -0.88 112.91 112.01 2jfy h THR 45 Ca 0.25 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2jfy h THR 45 Cb 0.30 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2jfy h THR 45 CO -0.28 0.05 0.12 0.74 0.37 0.00 0.00 175.52 176.52 2jfy h THR 46 N 0.29 1.12 -0.60 3.16 2.02 -1.91 -2.62 112.91 114.38 2jfy h THR 46 Ca 0.11 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2jfy h THR 46 Cb 0.03 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2jfy h THR 46 CO -0.07 0.12 0.15 0.40 0.37 0.00 0.00 175.52 176.48 2jfy h ILE 47 N 0.25 1.24 -0.64 3.11 2.04 -1.08 -1.54 117.51 120.89 2jfy h ILE 47 Ca 0.08 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2jfy h ILE 47 Cb 0.08 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2jfy h ILE 47 CO -0.01 0.33 0.29 0.11 0.00 0.00 0.00 178.15 178.87 2jfy h LYS 48 N 0.90 0.93 -0.68 2.37 1.57 -1.08 -0.43 116.57 120.15 2jfy h LYS 48 Ca 0.19 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2jfy h LYS 48 Cb 0.32 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2jfy h LYS 48 CO -0.00 0.75 0.23 0.37 -0.57 0.00 0.00 179.45 180.23 2jfy h GLN 49 N 0.88 1.02 -0.81 3.15 5.75 -1.10 -1.25 115.11 122.76 2jfy h GLN 49 Ca 0.22 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2jfy h GLN 49 Cb 0.14 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 2jfy h GLN 49 CO -0.02 0.87 0.36 0.74 -2.65 0.00 0.00 178.83 178.12 2jfy h PHE 50 N 0.99 1.18 -0.11 3.99 0.04 -0.68 -1.01 116.94 121.35 2jfy h PHE 50 Ca 0.22 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 2jfy h PHE 50 Cb 0.26 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2jfy h PHE 50 CO 0.02 0.87 0.06 0.78 -0.60 0.00 0.00 178.31 179.44 2jfy h GLY 51 N 1.17 0.17 1.14 -1.45 0.00 -0.25 -1.49 103.07 102.36 2jfy h GLY 51 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2jfy h GLY 51 CO -0.03 0.07 0.45 1.41 0.00 0.00 0.00 176.54 178.44 2jfy h LEU 52 N 0.10 1.00 -1.37 3.11 4.07 -1.01 -2.31 115.31 118.91 2jfy h LEU 52 Ca 0.04 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2jfy h LEU 52 Cb 0.06 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 2jfy h LEU 52 CO -0.01 0.80 -0.31 -0.33 -1.08 0.00 0.00 178.44 177.51 2jfy h GLU 53 N 1.13 0.00 -0.21 1.13 5.08 -0.88 -1.82 114.58 119.01 2jfy h GLU 53 Ca 0.29 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2jfy h GLU 53 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jfy h GLU 53 CO -0.05 0.31 -0.18 0.00 -1.00 0.00 0.00 179.01 178.09 2jfy h ALA 54 N 1.69 1.30 -0.06 3.43 0.00 -0.70 -2.60 119.26 122.32 2jfy h ALA 54 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2jfy h ALA 54 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jfy h ALA 54 CO 0.04 0.47 0.02 -0.07 0.00 0.00 0.00 179.25 179.71 2jfy h LEU 55 N 0.33 0.02 -1.50 0.00 4.07 -1.19 -2.35 115.31 114.69 2jfy h LEU 55 Ca 0.06 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.13 2jfy h LEU 55 Cb 0.52 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.21 2jfy h LEU 55 CO 0.03 0.02 0.47 0.44 -1.08 0.00 0.00 178.44 178.32 2jfy h ASP 56 N 0.05 0.50 -0.61 -0.43 3.32 -1.36 -1.64 116.42 116.24 2jfy h ASP 56 Ca 0.02 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2jfy h ASP 56 Cb 0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2jfy h ASP 56 CO -0.03 0.29 0.18 0.15 -1.72 0.00 0.00 179.24 178.12 2jfy h PHE 57 N 0.55 1.03 0.00 4.55 3.57 -1.21 -3.25 116.94 122.18 2jfy h PHE 57 Ca 0.33 -0.10 -0.21 0.00 3.53 0.00 0.00 57.97 61.52 2jfy h PHE 57 Cb 0.54 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2jfy h PHE 57 CO -0.00 0.83 -1.22 0.74 -2.23 0.00 0.00 178.31 176.42 2jfy h PHE 58 N 0.96 0.00 -0.80 0.41 -1.00 -1.19 -3.39 116.94 111.92 2jfy h PHE 58 Ca 0.21 0.00 0.23 0.00 2.81 0.00 0.00 57.97 61.22 2jfy h PHE 58 Cb 0.30 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 39.71 2jfy h PHE 58 CO 0.02 0.85 0.05 1.63 -1.61 0.00 0.00 178.31 179.25 2jfy n LYS 59 N -3.15 -0.06 0.00 1.51 5.02 -0.84 0.69 118.16 121.33 2jfy n LYS 59 Ca -0.07 1.19 0.14 0.00 -2.02 0.00 0.00 58.31 57.55 2jfy n LYS 59 Cb 0.93 -1.91 0.56 0.00 -0.02 0.00 0.00 35.03 34.59 2jfy n LYS 59 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jfy n PRO 60 N -5.10 0.06 0.04 1.97 -0.04 -1.26 -3.69 135.00 126.98 2jfy n PRO 60 Ca 0.20 -0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2jfy n PRO 60 Cb 0.65 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.14 2jfy n PRO 60 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jfy n HIS 61 N -1.46 0.38 -3.51 0.54 8.25 0.22 -4.96 115.22 114.68 2jfy n HIS 61 Ca 0.08 0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.45 2jfy n HIS 61 Cb 0.33 -0.68 0.06 0.00 1.12 0.00 0.00 29.99 30.82 2jfy n HIS 61 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2jfy n GLU 62 N -1.81 -4.16 -3.30 -0.41 -0.58 -1.23 -4.99 120.64 104.17 2jfy n GLU 62 Ca 0.06 0.72 -0.33 0.00 -0.42 0.00 0.00 57.16 57.19 2jfy n GLU 62 Cb 0.38 -5.39 -0.06 0.00 -0.57 0.00 0.00 31.44 25.80 2jfy n GLU 62 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2jfy s ILE 63 N -3.49 4.81 -0.64 -3.67 -4.36 -1.26 -4.93 121.20 107.65 2jfy s ILE 63 Ca 0.19 0.77 0.24 0.00 -0.26 0.00 0.00 60.65 61.59 2jfy s ILE 63 Cb -0.04 -3.67 -0.02 0.00 1.25 0.00 0.00 42.46 39.98 2jfy s ILE 63 CO 0.78 0.01 1.21 -0.62 0.24 0.00 0.00 174.94 176.56 2jfy n GLU 64 N 0.15 0.28 -3.61 0.37 1.02 -0.18 -4.91 120.64 113.76 2jfy n GLU 64 Ca -0.01 0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 2jfy n GLU 64 Cb 0.52 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 2jfy n GLU 64 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jfy s LEU 65 N -4.06 -0.73 -0.18 -4.62 2.96 -1.26 -4.28 118.68 106.53 2jfy s LEU 65 Ca 0.05 1.30 -0.00 0.00 -0.22 0.00 0.00 54.13 55.26 2jfy s LEU 65 Cb 0.14 2.47 0.00 0.00 0.50 0.00 0.00 46.19 49.30 2jfy s LEU 65 CO 0.75 -0.31 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.10 2jfy s LEU 66 N 0.08 2.46 -0.25 -0.68 2.96 -0.70 -1.08 118.68 121.47 2jfy s LEU 66 Ca -0.02 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.28 2jfy s LEU 66 Cb -0.04 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 2jfy s LEU 66 CO 0.03 0.04 0.17 -0.63 -1.32 0.00 0.00 176.35 174.63 2jfy s ILE 67 N 1.08 5.35 -0.88 6.68 1.01 0.49 -1.39 121.20 133.54 2jfy s ILE 67 Ca -0.00 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.66 2jfy s ILE 67 Cb -0.14 -3.50 0.17 0.00 0.01 0.00 0.00 42.46 38.99 2jfy s ILE 67 CO -0.04 0.33 0.95 -0.69 0.00 0.00 0.00 174.94 175.48 2jfy s VAL 68 N 1.19 5.16 0.40 2.92 1.01 -0.26 0.14 120.40 130.97 2jfy s VAL 68 Ca 0.07 -2.01 0.28 0.00 0.00 0.00 0.00 61.98 60.33 2jfy s VAL 68 Cb -0.14 -4.63 0.31 0.00 0.00 0.00 0.00 36.38 31.92 2jfy s VAL 68 CO 0.06 -1.27 2.08 0.00 0.00 0.00 0.00 175.10 175.96 2jfy h ALA 69 N 8.32 1.25 -2.42 5.51 0.00 -1.31 -3.17 119.26 127.43 2jfy h ALA 69 Ca 0.13 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 2jfy h ALA 69 Cb 1.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jfy h ALA 69 CO 0.93 0.13 0.67 0.00 0.00 0.00 0.00 179.25 180.99 2jfy h ASN 71 N 7.18 0.20 -0.12 0.00 4.21 -1.86 -1.02 115.58 124.17 2jfy h ASN 71 Ca -0.39 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 56.94 2jfy h ASN 71 Cb 1.19 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.33 2jfy h ASN 71 CO 0.85 0.81 -0.14 0.74 -1.29 0.00 0.00 177.43 178.39 2jfy h THR 72 N 0.12 1.36 -0.68 2.81 2.02 -1.91 -1.83 112.91 114.80 2jfy h THR 72 Ca -0.01 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.76 2jfy h THR 72 Cb 1.19 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 2jfy h THR 72 CO 0.10 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.51 2jfy h ALA 73 N 0.57 0.96 -0.63 6.16 0.00 -1.95 -1.86 119.26 122.51 2jfy h ALA 73 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2jfy h ALA 73 Cb 0.69 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jfy h ALA 73 CO 0.03 0.66 0.27 0.77 0.00 0.00 0.00 179.25 180.99 2jfy h SER 74 N 1.04 0.83 1.37 0.00 0.02 -1.15 0.13 113.55 115.77 2jfy h SER 74 Ca 0.21 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2jfy h SER 74 Cb 0.40 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2jfy h SER 74 CO 0.01 0.72 -0.44 0.00 -1.14 0.00 0.00 176.83 175.98 2jfy h ALA 75 N 1.40 0.76 0.00 3.77 0.00 -0.94 -3.32 119.26 120.93 2jfy h ALA 75 Ca 0.22 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2jfy h ALA 75 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jfy h ALA 75 CO -0.02 0.55 -1.33 1.28 0.00 0.00 0.00 179.25 179.73 2jfy n LEU 76 N -3.28 0.00 -0.03 0.00 7.99 -0.73 -4.85 117.00 116.10 2jfy n LEU 76 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.02 2jfy n LEU 76 Cb 0.67 0.11 0.00 0.00 -0.11 0.00 0.00 43.42 44.09 2jfy n LEU 76 CO 0.39 0.11 0.17 0.00 -1.51 0.00 0.00 177.39 176.55 2jfy n ALA 77 N -2.13 2.37 0.04 -1.18 0.00 0.41 -4.67 120.51 115.34 2jfy n ALA 77 Ca -0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 2jfy n ALA 77 Cb 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2jfy n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfy h LEU 78 N 0.16 -0.77 -0.43 0.00 5.85 -1.56 -1.86 115.31 116.70 2jfy h LEU 78 Ca 0.00 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2jfy h LEU 78 Cb 0.04 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 2jfy h LEU 78 CO 0.00 -0.31 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.27 2jfy h GLU 79 N -0.36 -0.31 0.61 1.25 4.81 -1.86 -1.16 114.58 117.57 2jfy h GLU 79 Ca 0.08 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2jfy h GLU 79 Cb 0.47 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jfy h GLU 79 CO -0.26 -0.20 -0.36 0.93 -0.73 0.00 0.00 179.01 178.39 2jfy h GLU 80 N -0.32 -0.88 -0.94 1.92 3.07 -1.85 -1.84 114.58 113.74 2jfy h GLU 80 Ca 0.14 0.06 0.29 0.00 -0.50 0.00 0.00 59.36 59.34 2jfy h GLU 80 Cb 0.58 0.20 -0.15 0.00 -0.84 0.00 0.00 28.75 28.54 2jfy h GLU 80 CO -0.59 -0.58 0.36 0.52 -1.40 0.00 0.00 179.01 177.32 2jfy h MET 81 N -0.91 0.21 -0.23 2.33 2.86 -0.97 0.97 114.93 119.19 2jfy h MET 81 Ca -0.08 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2jfy h MET 81 Cb 0.73 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2jfy h MET 81 CO 0.09 0.14 -0.14 1.96 1.06 0.00 0.00 176.91 180.02 2jfy h GLN 82 N 0.22 0.51 -1.00 1.72 4.20 -0.93 -2.98 115.11 116.84 2jfy h GLN 82 Ca 0.65 -0.23 0.22 0.00 0.06 0.00 0.00 58.65 59.34 2jfy h GLN 82 Cb 1.42 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 29.09 2jfy h GLN 82 CO -0.67 0.79 0.62 -0.22 -0.67 0.00 0.00 178.83 178.68 2jfy h LYS 83 N 0.22 0.60 -3.38 1.46 3.64 0.02 -2.90 116.57 116.22 2jfy h LYS 83 Ca 0.05 -0.04 -0.73 0.00 -1.27 0.00 0.00 60.65 58.66 2jfy h LYS 83 Cb 0.65 -0.13 -0.33 0.00 -0.41 0.00 0.00 32.23 32.01 2jfy h LYS 83 CO 0.04 0.39 0.04 0.71 -2.27 0.00 0.00 179.45 178.37 2jfy s TYR 84 N -5.72 3.99 -0.29 1.91 1.51 -0.81 -5.00 117.35 112.95 2jfy s TYR 84 Ca -0.10 -2.94 -0.16 0.00 -1.01 0.00 0.00 57.07 52.86 2jfy s TYR 84 Cb 0.25 -3.40 0.15 0.00 -0.11 0.00 0.00 41.96 38.85 2jfy s TYR 84 CO 0.80 -0.79 0.97 0.45 -1.11 0.00 0.00 175.55 175.87 2jfy s SER 85 N 0.25 -0.52 0.23 2.29 0.15 -1.10 -4.84 113.70 110.16 2jfy s SER 85 Ca 0.28 0.82 0.26 0.00 0.70 0.00 0.00 55.95 58.01 2jfy s SER 85 Cb -0.08 1.26 0.79 0.00 -1.71 0.00 0.00 66.02 66.28 2jfy s SER 85 CO -0.11 -0.13 1.76 0.11 1.20 0.00 0.00 173.24 176.07 2jfy h LYS 86 N 6.21 0.00 -5.91 5.44 1.79 -1.94 -3.46 116.57 118.71 2jfy h LYS 86 Ca -0.27 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.59 2jfy h LYS 86 Cb 1.19 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.71 2jfy h LYS 86 CO 0.19 0.00 -0.63 0.96 -1.08 0.00 0.00 179.45 178.88 2jfy s ILE 87 N -3.12 2.32 0.30 1.86 -4.36 -1.26 -5.12 121.20 111.82 2jfy s ILE 87 Ca 0.10 -2.06 -0.28 0.00 -0.26 0.00 0.00 60.65 58.14 2jfy s ILE 87 Cb 0.12 -2.78 -0.09 0.00 1.25 0.00 0.00 42.46 40.95 2jfy s ILE 87 CO 0.59 -0.15 1.06 -2.16 0.24 0.00 0.00 174.94 174.52 2jfy s PRO 88 N -3.68 4.59 -0.17 0.37 0.04 -1.26 -4.94 135.00 129.95 2jfy s PRO 88 Ca 0.34 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2jfy s PRO 88 Cb 0.03 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.52 2jfy s PRO 88 CO 0.18 0.20 -0.14 0.42 0.04 0.00 0.00 177.00 177.70 2jfy s ILE 89 N -1.26 1.64 -0.17 0.56 1.01 -1.26 -1.73 121.20 119.99 2jfy s ILE 89 Ca 0.46 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2jfy s ILE 89 Cb -0.29 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 2jfy s ILE 89 CO 0.37 0.38 -0.10 -0.69 0.00 0.00 0.00 174.94 174.90 2jfy s VAL 90 N 1.44 3.14 0.69 2.92 1.01 -0.49 -4.97 120.40 124.15 2jfy s VAL 90 Ca 0.03 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2jfy s VAL 90 Cb -0.14 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.98 2jfy s VAL 90 CO -0.10 0.49 0.96 -0.83 0.00 0.00 0.00 175.10 175.61 2jfy s GLY 91 N 0.86 1.77 0.00 4.51 0.00 -1.26 -1.10 107.32 112.09 2jfy s GLY 91 Ca -0.03 -1.67 0.23 0.00 0.00 0.00 0.00 44.72 43.25 2jfy s GLY 91 CO 0.00 -1.15 1.42 3.33 0.00 0.00 0.00 173.10 176.71 2jfy n VAL 92 N -2.75 0.51 -0.07 1.40 0.24 -1.20 -4.45 118.33 112.01 2jfy n VAL 92 Ca 0.14 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.65 2jfy n VAL 92 Cb 0.60 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 2jfy n VAL 92 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2jfy h ILE 93 N 4.29 0.10 -0.77 1.34 2.04 -1.92 -3.35 117.51 119.25 2jfy h ILE 93 Ca 0.00 -1.12 0.12 0.00 1.00 0.00 0.00 64.86 64.86 2jfy h ILE 93 Cb 0.95 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 2jfy h ILE 93 CO 0.00 0.04 0.37 -0.08 0.00 0.00 0.00 178.15 178.47 2jfy h GLU 94 N -1.00 0.55 -0.17 2.37 4.57 -1.97 -0.64 114.58 118.29 2jfy h GLU 94 Ca -0.03 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2jfy h GLU 94 Cb 0.51 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2jfy h GLU 94 CO -0.02 0.37 0.12 -1.35 -1.18 0.00 0.00 179.01 176.95 2jfy h PRO 95 N 0.57 0.02 0.00 0.92 0.11 -1.78 -0.94 132.00 130.90 2jfy h PRO 95 Ca 0.40 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.38 2jfy h PRO 95 Cb 0.52 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 2jfy h PRO 95 CO -0.33 0.02 -0.64 0.77 -0.21 0.00 0.00 178.00 177.60 2jfy h SER 96 N 0.02 0.00 -0.48 -2.05 0.02 -1.25 -2.34 113.55 107.47 2jfy h SER 96 Ca 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2jfy h SER 96 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2jfy h SER 96 CO -0.00 0.64 -0.01 0.40 -1.14 0.00 0.00 176.83 176.71 2jfy h ILE 97 N 0.00 1.26 -0.40 3.27 1.08 -0.91 -1.61 117.51 120.20 2jfy h ILE 97 Ca -0.01 -1.09 -0.07 0.00 -0.39 0.00 0.00 64.86 63.30 2jfy h ILE 97 Cb 1.24 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 2jfy h ILE 97 CO 0.08 0.38 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.80 2jfy h LEU 98 N 0.71 0.64 -0.81 1.44 4.07 -1.37 -1.29 115.31 118.70 2jfy h LEU 98 Ca 0.13 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 2jfy h LEU 98 Cb 0.53 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2jfy h LEU 98 CO 0.03 0.74 0.04 0.00 -1.08 0.00 0.00 178.44 178.17 2jfy h ALA 99 N 1.33 1.01 -0.03 1.53 0.00 -1.08 -3.04 119.26 118.98 2jfy h ALA 99 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jfy h ALA 99 Cb 0.46 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jfy h ALA 99 CO 0.02 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 2jfy h ILE 100 N 0.87 1.29 -1.07 0.00 2.04 -0.83 -2.12 117.51 117.69 2jfy h ILE 100 Ca 0.17 -0.88 0.29 0.00 1.00 0.00 0.00 64.86 65.44 2jfy h ILE 100 Cb 0.46 1.83 -0.10 0.00 -0.74 0.00 0.00 36.82 38.27 2jfy h ILE 100 CO 0.02 0.23 0.69 0.11 0.00 0.00 0.00 178.15 179.20 2jfy h LYS 101 N -0.30 0.34 0.00 2.37 1.57 -1.14 0.69 116.57 120.10 2jfy h LYS 101 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jfy h LYS 101 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jfy h LYS 101 CO 0.00 0.22 -1.05 2.89 -0.57 0.00 0.00 179.45 180.95 2jfy n ARG 102 N -4.64 0.15 -0.01 3.15 1.85 -1.16 -4.32 116.66 111.68 2jfy n ARG 102 Ca 0.27 -0.02 0.08 0.00 -1.00 0.00 0.00 57.85 57.17 2jfy n ARG 102 Cb 0.95 -1.53 -0.14 0.00 -1.05 0.00 0.00 32.46 30.70 2jfy n ARG 102 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jfy n GLN 103 N -1.71 0.59 -3.90 2.89 6.02 -0.11 -4.81 117.38 116.35 2jfy n GLN 103 Ca 0.03 -0.15 -0.30 0.00 -0.01 0.00 0.00 57.00 56.57 2jfy n GLN 103 Cb 0.39 -1.42 -0.14 0.00 1.02 0.00 0.00 30.24 30.09 2jfy n GLN 103 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jfy s VAL 104 N -3.16 2.30 0.04 5.09 1.01 0.22 -4.98 120.40 120.92 2jfy s VAL 104 Ca -0.07 -3.08 -0.29 0.00 0.00 0.00 0.00 61.98 58.54 2jfy s VAL 104 Cb 0.11 -2.60 -0.17 0.00 0.00 0.00 0.00 36.38 33.71 2jfy s VAL 104 CO 0.73 -0.81 1.41 -0.33 0.00 0.00 0.00 175.10 176.10 2jfy h GLU 105 N 6.62 -0.69 -6.21 2.72 4.39 -1.82 -3.43 114.58 116.17 2jfy h GLU 105 Ca -0.06 0.05 -0.55 0.00 0.34 0.00 0.00 59.36 59.13 2jfy h GLU 105 Cb 0.91 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2jfy h GLU 105 CO 0.63 -0.39 1.33 0.34 -1.16 0.00 0.00 179.01 179.76 2jfy s ASP 106 N -4.67 6.06 0.01 1.42 3.68 -1.26 -4.84 116.67 117.07 2jfy s ASP 106 Ca -0.16 2.32 0.19 0.00 2.13 0.00 0.00 52.55 57.03 2jfy s ASP 106 Cb 0.03 -2.52 0.79 0.00 -1.45 0.00 0.00 42.92 39.77 2jfy s ASP 106 CO 0.56 -1.42 1.59 0.29 0.13 0.00 0.00 175.17 176.33 2jfy n LYS 107 N 8.02 0.01 0.00 4.34 4.01 -1.26 -2.31 118.16 130.97 2jfy n LYS 107 Ca 0.24 0.19 0.11 0.00 -0.51 0.00 0.00 58.31 58.34 2jfy n LYS 107 Cb 0.43 -1.51 0.07 0.00 -0.51 0.00 0.00 35.03 33.51 2jfy n LYS 107 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2jfy n ASN 108 N -1.53 2.72 -4.71 4.39 3.02 -1.26 -1.36 115.26 116.53 2jfy n ASN 108 Ca 0.04 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 2jfy n ASN 108 Cb 0.22 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 2jfy n ASN 108 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfy s ALA 109 N -2.03 3.87 -0.11 5.41 0.00 -0.98 -4.52 121.76 123.40 2jfy s ALA 109 Ca 0.25 1.51 -0.29 0.00 0.00 0.00 0.00 51.96 53.43 2jfy s ALA 109 Cb 0.19 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2jfy s ALA 109 CO 0.34 -0.98 1.91 -2.14 0.00 0.00 0.00 175.76 174.89 2jfy s PRO 110 N 1.59 3.77 -0.12 0.00 0.02 -1.26 -4.49 135.00 134.51 2jfy s PRO 110 Ca 0.76 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.93 2jfy s PRO 110 Cb -0.48 -4.17 -0.01 0.00 0.02 0.00 0.00 34.50 29.86 2jfy s PRO 110 CO 0.33 -1.35 -0.15 0.42 -0.33 0.00 0.00 177.00 175.91 2jfy s ILE 111 N 5.67 2.83 -0.17 2.83 1.01 0.08 -0.26 121.20 133.19 2jfy s ILE 111 Ca 0.85 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 2jfy s ILE 111 Cb -0.34 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 2jfy s ILE 111 CO 0.35 0.53 -0.10 -0.22 0.00 0.00 0.00 174.94 175.50 2jfy s LEU 112 N 0.32 2.74 -0.22 2.97 2.96 0.11 -0.25 118.68 127.31 2jfy s LEU 112 Ca -0.12 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 2jfy s LEU 112 Cb -0.16 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2jfy s LEU 112 CO 0.06 0.09 0.08 -0.69 -1.32 0.00 0.00 176.35 174.57 2jfy s VAL 113 N 0.81 4.70 -0.10 1.68 1.01 0.57 -0.54 120.40 128.52 2jfy s VAL 113 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2jfy s VAL 113 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2jfy s VAL 113 CO 0.01 0.39 -0.04 -0.76 0.00 0.00 0.00 175.10 174.70 2jfy s LEU 114 N 1.00 3.30 0.00 3.92 1.02 -0.67 -0.29 118.68 126.96 2jfy s LEU 114 Ca 0.05 -0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.07 2jfy s LEU 114 Cb -0.14 -1.75 0.04 0.00 0.02 0.00 0.00 46.19 44.35 2jfy s LEU 114 CO 0.03 0.30 0.51 0.61 0.02 0.00 0.00 176.35 177.82 2jfy n GLY 115 N 2.66 0.88 3.79 -3.19 0.00 -1.04 -0.44 105.19 107.85 2jfy n GLY 115 Ca -0.18 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 2jfy n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jfy s THR 116 N -2.29 1.99 0.18 2.61 -4.23 -1.26 -1.47 115.64 111.16 2jfy s THR 116 Ca 0.11 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 2jfy s THR 116 Cb -0.01 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.15 2jfy s THR 116 CO 0.02 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.00 2jfy h LYS 117 N -1.51 0.86 -0.31 3.99 1.57 -1.92 -1.92 116.57 117.32 2jfy h LYS 117 Ca -0.50 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 2jfy h LYS 117 Cb 1.33 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2jfy h LYS 117 CO 0.60 0.66 0.12 0.00 -0.57 0.00 0.00 179.45 180.26 2jfy h ALA 118 N 1.15 0.41 -0.76 3.86 0.00 -1.48 -0.27 119.26 122.17 2jfy h ALA 118 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jfy h ALA 118 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jfy h ALA 118 CO -0.03 0.01 0.43 1.15 0.00 0.00 0.00 179.25 180.80 2jfy h THR 119 N 0.35 1.22 -0.15 0.00 2.02 -1.80 -2.18 112.91 112.37 2jfy h THR 119 Ca 0.10 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 2jfy h THR 119 Cb 0.19 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2jfy h THR 119 CO -0.01 0.24 -0.31 0.40 0.37 0.00 0.00 175.52 176.22 2jfy h ILE 120 N 1.04 1.36 -0.09 3.11 1.08 -1.24 -3.15 117.51 119.62 2jfy h ILE 120 Ca 0.27 -1.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.20 2jfy h ILE 120 Cb 0.01 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2jfy h ILE 120 CO -0.05 0.47 0.06 -0.61 -0.69 0.00 0.00 178.15 177.34 2jfy h GLN 121 N 0.10 0.00 0.00 2.37 5.75 -0.95 -1.62 115.11 120.76 2jfy h GLN 121 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2jfy h GLN 121 Cb 0.90 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2jfy h GLN 121 CO 0.07 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.12 2jfy n SER 122 N -4.51 0.71 -0.48 -0.69 3.41 -0.83 -4.88 113.62 106.35 2jfy n SER 122 Ca -0.01 0.65 -0.06 0.00 -0.26 0.00 0.00 58.87 59.18 2jfy n SER 122 Cb 0.18 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.29 2jfy n SER 122 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jfy n ASN 123 N -2.25 -5.64 -0.17 4.04 3.02 -0.61 -4.86 115.26 108.79 2jfy n ASN 123 Ca 0.03 0.16 -0.03 0.00 -0.03 0.00 0.00 54.58 54.71 2jfy n ASN 123 Cb 0.28 -3.70 0.04 0.00 -0.61 0.00 0.00 39.78 35.79 2jfy n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfy h ALA 124 N 0.00 0.29 -0.17 5.41 0.00 -1.83 0.16 119.26 123.12 2jfy h ALA 124 Ca -0.13 0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2jfy h ALA 124 Cb 1.04 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jfy h ALA 124 CO 0.19 -0.47 -0.66 1.88 0.00 0.00 0.00 179.25 180.18 2jfy h TYR 125 N -0.04 0.84 -0.40 0.00 -1.99 -1.89 -2.83 116.97 110.66 2jfy h TYR 125 Ca 0.25 -0.34 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 2jfy h TYR 125 Cb 0.42 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 2jfy h TYR 125 CO -0.47 1.12 0.22 0.22 -0.00 0.00 0.00 178.16 179.26 2jfy h ASP 126 N 0.46 0.50 0.28 3.88 3.58 -1.71 -0.24 116.42 123.17 2jfy h ASP 126 Ca -0.02 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2jfy h ASP 126 Cb 1.25 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2jfy h ASP 126 CO 0.13 0.44 -0.13 0.78 -2.88 0.00 0.00 179.24 177.58 2jfy h ASN 127 N 0.52 -0.31 -0.72 2.28 -0.26 -0.77 -2.09 115.58 114.22 2jfy h ASN 127 Ca 0.14 -0.07 0.03 0.00 -0.56 0.00 0.00 56.30 55.84 2jfy h ASN 127 Cb 0.05 0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 2jfy h ASN 127 CO -0.02 -0.12 0.45 0.00 -1.06 0.00 0.00 177.43 176.67 2jfy h ALA 128 N 0.21 0.95 -0.22 -0.83 0.00 -1.43 -2.52 119.26 115.42 2jfy h ALA 128 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2jfy h ALA 128 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jfy h ALA 128 CO 0.06 0.23 0.03 -0.07 0.00 0.00 0.00 179.25 179.50 2jfy h LEU 129 N 0.88 0.36 -0.84 0.00 3.38 -1.00 -3.09 115.31 114.99 2jfy h LEU 129 Ca 0.29 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jfy h LEU 129 Cb 0.03 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2jfy h LEU 129 CO -0.11 0.54 0.55 0.11 0.09 0.00 0.00 178.44 179.62 2jfy h LYS 130 N 0.16 1.08 -0.75 1.13 1.57 -1.27 -1.56 116.57 116.93 2jfy h LYS 130 Ca 0.07 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.94 2jfy h LYS 130 Cb 0.34 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2jfy h LYS 130 CO 0.01 0.71 0.50 1.96 -0.57 0.00 0.00 179.45 182.06 2jfy h GLN 131 N 1.11 0.37 -0.53 3.15 4.20 -1.38 0.28 115.11 122.31 2jfy h GLN 131 Ca 0.32 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2jfy h GLN 131 Cb -0.07 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2jfy h GLN 131 CO -0.09 0.25 0.00 1.04 -0.67 0.00 0.00 178.83 179.36 2jfy n GLN 132 N -4.47 1.94 0.00 1.46 1.13 -0.60 -4.91 117.38 111.93 2jfy n GLN 132 Ca 0.14 -0.99 0.00 0.00 -1.94 0.00 0.00 57.00 54.21 2jfy n GLN 132 Cb 0.55 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.44 2jfy n GLN 132 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jfy n GLY 133 N 0.59 3.12 3.66 1.08 0.00 0.98 -5.03 105.19 109.60 2jfy n GLY 133 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 2jfy n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jfy n TYR 134 N -1.26 2.12 0.18 1.61 4.02 -1.16 -4.90 117.16 117.77 2jfy n TYR 134 Ca 0.00 0.29 0.05 0.00 -0.01 0.00 0.00 57.90 58.24 2jfy n TYR 134 Cb 0.00 -2.53 -0.08 0.00 -0.02 0.00 0.00 39.34 36.71 2jfy n TYR 134 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2jfy n LEU 135 N 4.27 0.18 -4.08 7.72 4.32 -0.47 -4.29 117.00 124.65 2jfy n LEU 135 Ca 0.20 -0.17 -0.37 0.00 -0.02 0.00 0.00 56.01 55.64 2jfy n LEU 135 Cb 0.26 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.00 2jfy n LEU 135 CO 0.67 0.04 0.44 -3.20 -1.22 0.00 0.00 177.39 174.13 2jfy n ASN 136 N -1.67 4.48 -4.30 -1.43 2.85 -1.25 -5.04 115.26 108.91 2jfy n ASN 136 Ca -0.01 -3.16 -0.29 0.00 -0.11 0.00 0.00 54.58 51.01 2jfy n ASN 136 Cb 0.25 -1.08 -0.15 0.00 1.24 0.00 0.00 39.78 40.04 2jfy n ASN 136 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2jfy s ILE 137 N -1.55 1.95 0.03 -1.44 -1.09 -1.26 -0.74 121.20 117.09 2jfy s ILE 137 Ca 0.29 -1.20 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 2jfy s ILE 137 Cb -0.05 -1.65 -0.02 0.00 -1.58 0.00 0.00 42.46 39.16 2jfy s ILE 137 CO -0.10 0.41 -0.08 -0.55 -1.23 0.00 0.00 174.94 173.39 2jfy s SER 138 N -0.94 0.93 -0.02 3.58 0.15 0.65 -4.95 113.70 113.10 2jfy s SER 138 Ca 0.10 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.40 2jfy s SER 138 Cb -0.09 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2jfy s SER 138 CO 0.01 -0.09 -0.20 -1.00 1.20 0.00 0.00 173.24 173.16 2jfy s HIS 139 N -0.94 1.82 -0.09 3.44 3.76 -1.26 -0.32 115.29 121.70 2jfy s HIS 139 Ca -0.05 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.44 2jfy s HIS 139 Cb -0.07 -1.18 0.05 0.00 1.11 0.00 0.00 32.58 32.48 2jfy s HIS 139 CO 0.00 -0.06 0.17 -1.17 -0.85 0.00 0.00 174.74 172.83 2jfy s LEU 140 N -0.37 -0.11 -0.28 0.89 2.96 0.61 -4.92 118.68 117.46 2jfy s LEU 140 Ca 0.05 0.36 -0.25 0.00 -0.22 0.00 0.00 54.13 54.07 2jfy s LEU 140 Cb -0.09 0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.93 2jfy s LEU 140 CO -0.00 -0.25 0.86 0.00 -1.32 0.00 0.00 176.35 175.65 2jfy s ALA 141 N 2.31 3.58 -0.65 5.97 0.00 -1.26 -2.50 121.76 129.21 2jfy s ALA 141 Ca 0.03 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.81 2jfy s ALA 141 Cb -0.12 -3.37 0.31 0.00 0.00 0.00 0.00 23.12 19.94 2jfy s ALA 141 CO -0.06 -1.14 0.96 0.25 0.00 0.00 0.00 175.76 175.77 2jfy n THR 142 N 5.47 3.12 -0.35 0.00 -2.24 -0.54 -4.94 114.28 114.80 2jfy n THR 142 Ca 0.06 -5.51 0.06 0.00 -2.27 0.00 0.00 64.05 56.39 2jfy n THR 142 Cb 0.48 -1.67 0.23 0.00 -2.10 0.00 0.00 70.33 67.27 2jfy n THR 142 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jfy h SER 143 N 3.55 0.94 0.47 3.42 4.64 -1.93 -2.50 113.55 122.14 2jfy h SER 143 Ca 0.18 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2jfy h SER 143 Cb 0.55 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2jfy h SER 143 CO 0.87 0.54 0.00 -0.07 -0.87 0.00 0.00 176.83 177.30 2jfy h LEU 144 N 1.03 0.00 -0.96 5.97 3.38 -1.97 -2.48 115.31 120.28 2jfy h LEU 144 Ca 0.46 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.45 2jfy h LEU 144 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2jfy h LEU 144 CO -0.22 0.00 0.63 -0.26 0.09 0.00 0.00 178.44 178.68 2jfy h PHE 145 N 0.00 1.19 0.56 1.13 0.05 -1.87 -1.89 116.94 116.11 2jfy h PHE 145 Ca 0.00 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 2jfy h PHE 145 Cb 0.23 -0.40 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 2jfy h PHE 145 CO 0.00 0.73 -0.44 0.28 -0.18 0.00 0.00 178.31 178.71 2jfy h VAL 146 N 1.27 0.00 -0.38 -0.55 2.07 -1.63 0.02 116.25 117.05 2jfy h VAL 146 Ca 0.36 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.84 2jfy h VAL 146 Cb -0.11 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.64 2jfy h VAL 146 CO -0.09 0.00 0.09 1.55 0.02 0.00 0.00 177.57 179.14 2jfy h PRO 147 N -0.96 0.55 -0.28 1.57 0.13 -1.71 -0.84 132.00 130.46 2jfy h PRO 147 Ca -0.07 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2jfy h PRO 147 Cb 0.80 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 2jfy h PRO 147 CO 0.02 0.51 0.17 -0.07 -0.23 0.00 0.00 178.00 178.40 2jfy h LEU 148 N 0.54 0.28 -1.16 1.56 3.38 -1.17 -1.20 115.31 117.56 2jfy h LEU 148 Ca 0.13 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2jfy h LEU 148 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jfy h LEU 148 CO -0.00 0.21 -0.27 0.40 0.09 0.00 0.00 178.44 178.86 2jfy h ILE 149 N 0.35 1.25 0.00 1.22 2.04 -0.52 -0.38 117.51 121.47 2jfy h ILE 149 Ca 0.11 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2jfy h ILE 149 Cb -0.02 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jfy h ILE 149 CO -0.04 0.35 0.00 -0.33 0.00 0.00 0.00 178.15 178.14 2jfy h GLU 150 N 0.22 0.00 -0.07 2.37 5.08 -0.71 -1.43 114.58 120.04 2jfy h GLU 150 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jfy h GLU 150 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2jfy h GLU 150 CO 0.04 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 2jfy n GLU 151 N -3.02 1.63 -3.04 2.33 -0.58 -0.49 -4.91 120.64 112.56 2jfy n GLU 151 Ca 0.02 -0.93 -0.19 0.00 -0.42 0.00 0.00 57.16 55.65 2jfy n GLU 151 Cb 0.40 -1.45 0.04 0.00 -0.57 0.00 0.00 31.44 29.87 2jfy n GLU 151 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2jfy n SER 152 N 0.13 -5.41 -4.39 1.62 2.88 -0.54 -4.92 113.62 102.99 2jfy n SER 152 Ca 0.18 -0.30 -0.45 0.00 -1.33 0.00 0.00 58.87 56.97 2jfy n SER 152 Cb 0.32 -4.18 -0.01 0.00 -0.75 0.00 0.00 64.21 59.59 2jfy n SER 152 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jfy s ILE 153 N -3.13 5.50 -1.77 2.46 -1.09 -0.22 -4.80 121.20 118.16 2jfy s ILE 153 Ca 0.32 -2.78 0.19 0.00 -2.23 0.00 0.00 60.65 56.16 2jfy s ILE 153 Cb -0.14 -4.68 0.50 0.00 -1.58 0.00 0.00 42.46 36.56 2jfy s ILE 153 CO 0.40 -1.31 1.42 0.18 -1.23 0.00 0.00 174.94 174.39 2jfy n LEU 154 N 4.26 3.55 -3.78 2.97 4.77 -1.26 -4.43 117.00 123.07 2jfy n LEU 154 Ca 0.25 -1.88 -0.03 0.00 -0.03 0.00 0.00 56.01 54.33 2jfy n LEU 154 Cb 0.43 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2jfy n LEU 154 CO 0.49 0.86 0.80 -1.83 -1.33 0.00 0.00 177.39 176.37 2jfy s GLU 155 N -1.08 1.14 0.00 3.23 -1.05 -1.26 -4.94 118.70 114.73 2jfy s GLU 155 Ca 0.39 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2jfy s GLU 155 Cb 0.21 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 2jfy s GLU 155 CO 0.28 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.37 2jfy n GLY 156 N -0.55 0.15 0.24 -3.83 0.00 -1.26 -4.44 105.19 95.49 2jfy n GLY 156 Ca -0.05 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 2jfy n GLY 156 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jfy h GLU 157 N 0.00 -0.01 -0.16 1.61 4.57 -2.02 -1.74 114.58 116.83 2jfy h GLU 157 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2jfy h GLU 157 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2jfy h GLU 157 CO 0.00 -0.01 0.09 1.25 -1.18 0.00 0.00 179.01 179.17 2jfy h LEU 158 N -0.01 0.15 -0.48 1.64 5.85 -1.99 -0.40 115.31 120.07 2jfy h LEU 158 Ca 0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2jfy h LEU 158 Cb 0.45 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2jfy h LEU 158 CO -0.63 0.11 0.22 0.25 -0.34 0.00 0.00 178.44 178.06 2jfy h LEU 159 N 0.19 0.63 -0.44 2.25 5.85 -1.70 -0.71 115.31 121.38 2jfy h LEU 159 Ca 0.06 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2jfy h LEU 159 Cb -0.01 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2jfy h LEU 159 CO -0.03 0.59 0.26 -0.08 -0.34 0.00 0.00 178.44 178.84 2jfy h GLU 160 N 0.63 0.50 -0.80 1.25 4.57 -1.11 -0.31 114.58 119.31 2jfy h GLU 160 Ca 0.16 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2jfy h GLU 160 Cb 0.13 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 2jfy h GLU 160 CO -0.02 0.33 0.38 1.15 -1.18 0.00 0.00 179.01 179.67 2jfy h THR 161 N 0.52 1.25 -0.11 0.32 2.02 -0.78 0.31 112.91 116.44 2jfy h THR 161 Ca 0.18 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2jfy h THR 161 Cb 0.02 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2jfy h THR 161 CO -0.09 0.30 0.02 0.00 0.37 0.00 0.00 175.52 176.13 2jfy h MET 163 N -0.04 1.03 -0.65 0.00 2.07 -0.81 -1.57 114.93 114.96 2jfy h MET 163 Ca 0.03 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.58 2jfy h MET 163 Cb 0.28 -0.23 -0.03 0.00 -1.87 0.00 0.00 31.60 29.75 2jfy h MET 163 CO 0.00 0.68 0.32 1.25 1.07 0.00 0.00 176.91 180.23 2jfy h HIS 164 N 1.06 0.90 -0.12 -0.22 2.76 -0.71 0.19 115.15 119.00 2jfy h HIS 164 Ca 0.29 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2jfy h HIS 164 Cb -0.11 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 2jfy h HIS 164 CO -0.02 0.66 0.06 -0.92 -1.30 0.00 0.00 177.93 176.41 2jfy h TYR 165 N 0.91 0.18 -0.14 5.26 3.20 -0.34 -1.61 116.97 124.44 2jfy h TYR 165 Ca 0.23 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.88 2jfy h TYR 165 Cb 0.08 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2jfy h TYR 165 CO 0.01 0.24 -0.73 1.88 -1.64 0.00 0.00 178.16 177.92 2jfy h TYR 166 N 0.07 0.89 0.00 -3.82 0.99 -0.87 -3.35 116.97 110.88 2jfy h TYR 166 Ca 0.04 -0.38 -0.02 0.00 2.00 0.00 0.00 58.73 60.38 2jfy h TYR 166 Cb 0.13 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 37.71 2jfy h TYR 166 CO -0.03 1.18 -0.48 0.74 -0.00 0.00 0.00 178.16 179.58 2jfy h PHE 167 N 0.46 0.00 -0.50 4.88 0.05 -0.65 -3.39 116.94 117.79 2jfy h PHE 167 Ca -0.04 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.79 2jfy h PHE 167 Cb 1.33 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.24 2jfy h PHE 167 CO 0.07 0.07 0.25 1.15 -0.18 0.00 0.00 178.31 179.68 2jfy h THR 168 N 0.00 0.97 0.00 -1.55 2.02 -1.42 -2.57 112.91 110.36 2jfy h THR 168 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2jfy h THR 168 Cb 1.06 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2jfy h THR 168 CO 0.01 0.09 0.00 -2.65 0.37 0.00 0.00 175.52 173.34 2jfy n PRO 169 N -4.88 0.18 -1.61 6.66 -0.02 -1.26 -4.83 135.00 129.24 2jfy n PRO 169 Ca 0.04 0.48 -0.47 0.00 -2.02 0.00 0.00 63.50 61.53 2jfy n PRO 169 Cb 0.12 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 2jfy n PRO 169 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jfy n LEU 170 N -2.23 2.09 0.02 2.45 4.32 -0.97 -4.91 117.00 117.77 2jfy n LEU 170 Ca 0.01 1.15 -0.14 0.00 -0.02 0.00 0.00 56.01 57.01 2jfy n LEU 170 Cb 0.18 -1.30 -0.14 0.00 -1.62 0.00 0.00 43.42 40.54 2jfy n LEU 170 CO 0.17 -1.07 -0.49 -0.08 -1.22 0.00 0.00 177.39 174.70 2jfy h GLU 171 N 3.27 0.15 -5.88 3.23 4.81 -1.90 -3.47 114.58 114.79 2jfy h GLU 171 Ca -0.43 -0.26 -0.67 0.00 -0.13 0.00 0.00 59.36 57.87 2jfy h GLU 171 Cb 1.32 0.10 -0.31 0.00 0.63 0.00 0.00 28.75 30.48 2jfy h GLU 171 CO 0.69 0.91 -0.88 0.42 -0.73 0.00 0.00 179.01 179.42 2jfy s ILE 172 N -2.60 1.97 -0.28 2.32 1.01 -1.26 -5.09 121.20 117.27 2jfy s ILE 172 Ca -0.10 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 2jfy s ILE 172 Cb 0.07 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2jfy s ILE 172 CO 0.82 0.55 1.60 -0.22 0.00 0.00 0.00 174.94 177.69 2jfy s LEU 173 N -0.11 3.76 0.47 2.97 2.96 -1.26 -4.97 118.68 122.51 2jfy s LEU 173 Ca -0.04 1.41 -0.23 0.00 -0.22 0.00 0.00 54.13 55.05 2jfy s LEU 173 Cb -0.14 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 2jfy s LEU 173 CO 0.04 -1.37 1.20 -2.16 -1.32 0.00 0.00 176.35 172.74 2jfy s PRO 174 N 4.88 3.64 -0.07 0.98 0.04 -1.26 -4.83 135.00 138.39 2jfy s PRO 174 Ca 0.71 1.87 0.19 0.00 0.04 0.00 0.00 61.00 63.80 2jfy s PRO 174 Cb -0.22 -2.38 -0.28 0.00 0.04 0.00 0.00 34.50 31.66 2jfy s PRO 174 CO 0.30 -0.67 0.32 -1.91 0.04 0.00 0.00 177.00 175.08 2jfy n GLU 175 N -0.58 0.72 -3.86 4.56 2.13 0.64 -4.70 120.64 119.55 2jfy n GLU 175 Ca 0.08 -0.13 -0.14 0.00 0.66 0.00 0.00 57.16 57.63 2jfy n GLU 175 Cb 0.47 -1.46 -0.15 0.00 0.27 0.00 0.00 31.44 30.57 2jfy n GLU 175 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jfy s VAL 176 N -3.09 0.03 -0.12 6.31 1.01 -0.78 -0.79 120.40 122.97 2jfy s VAL 176 Ca -0.08 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2jfy s VAL 176 Cb 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.40 2jfy s VAL 176 CO 0.79 0.07 -0.16 -0.63 0.00 0.00 0.00 175.10 175.17 2jfy s ILE 177 N 0.60 1.56 -0.19 2.22 1.01 0.30 0.07 121.20 126.76 2jfy s ILE 177 Ca -0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2jfy s ILE 177 Cb -0.08 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2jfy s ILE 177 CO -0.02 0.45 0.38 -0.63 0.00 0.00 0.00 174.94 175.13 2jfy s ILE 178 N 1.03 5.22 -1.32 2.92 1.01 0.29 -1.06 121.20 129.30 2jfy s ILE 178 Ca -0.05 0.69 -0.13 0.00 0.00 0.00 0.00 60.65 61.16 2jfy s ILE 178 Cb -0.15 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.73 2jfy s ILE 178 CO -0.03 0.28 1.88 0.18 0.00 0.00 0.00 174.94 177.25 2jfy n LEU 179 N 4.30 6.23 -1.80 2.97 4.77 -0.73 -1.67 117.00 131.06 2jfy n LEU 179 Ca -0.09 -4.37 -0.03 0.00 -0.03 0.00 0.00 56.01 51.49 2jfy n LEU 179 Cb 0.51 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 2jfy n LEU 179 CO 0.40 1.02 0.90 0.61 -1.33 0.00 0.00 177.39 178.99 2jfy n GLY 180 N 3.74 2.08 3.59 -0.72 0.00 0.42 -4.35 105.19 109.95 2jfy n GLY 180 Ca 0.44 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2jfy n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfy h THR 182 N 3.81 0.95 0.01 0.00 1.35 -1.85 -3.10 112.91 114.08 2jfy h THR 182 Ca -0.29 -0.01 -0.24 0.00 -0.55 0.00 0.00 66.41 65.33 2jfy h THR 182 Cb 1.16 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.47 2jfy h THR 182 CO 0.13 0.00 -1.24 0.45 -0.25 0.00 0.00 175.52 174.62 2jfy h HIS 183 N 0.02 0.03 -0.63 4.73 3.86 -1.95 -3.39 115.15 117.82 2jfy h HIS 183 Ca 0.05 -0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.42 2jfy h HIS 183 Cb 0.19 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2jfy h HIS 183 CO -0.00 1.02 0.45 0.74 0.86 0.00 0.00 177.93 181.00 2jfy h PHE 184 N 0.00 0.06 -0.51 2.45 0.05 -1.89 -1.68 116.94 115.42 2jfy h PHE 184 Ca -0.10 0.00 0.12 0.00 3.82 0.00 0.00 57.97 61.80 2jfy h PHE 184 Cb 1.86 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 39.76 2jfy h PHE 184 CO 0.00 0.02 0.35 -1.35 -0.18 0.00 0.00 178.31 177.16 2jfy h PRO 185 N 0.05 0.17 0.00 1.51 0.11 -1.77 -0.01 132.00 132.06 2jfy h PRO 185 Ca 0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2jfy h PRO 185 Cb 1.13 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jfy h PRO 185 CO -0.02 0.12 0.00 -0.07 -0.21 0.00 0.00 178.00 177.82 2jfy h LEU 186 N 0.18 0.00 -2.96 2.35 4.07 -1.61 -2.05 115.31 115.29 2jfy h LEU 186 Ca 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 2jfy h LEU 186 Cb 0.71 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 2jfy h LEU 186 CO -0.04 0.00 -0.34 2.30 -1.08 0.00 0.00 178.44 179.28 2jfy n ILE 187 N -3.00 1.86 0.01 1.22 -5.35 -0.04 -4.82 119.36 109.24 2jfy n ILE 187 Ca -0.02 -2.59 -0.10 0.00 -0.27 0.00 0.00 62.75 59.77 2jfy n ILE 187 Cb 0.12 -0.13 -0.04 0.00 -1.74 0.00 0.00 39.64 37.84 2jfy n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jfy h ALA 188 N 0.57 -0.03 -0.60 -1.28 0.00 -1.07 -0.29 119.26 116.56 2jfy h ALA 188 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jfy h ALA 188 Cb 1.07 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2jfy h ALA 188 CO 0.01 -0.56 0.29 1.96 0.00 0.00 0.00 179.25 180.95 2jfy h GLN 189 N -0.13 0.83 -0.53 0.00 1.08 -1.87 -0.47 115.11 114.02 2jfy h GLN 189 Ca 0.07 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 2jfy h GLN 189 Cb 0.23 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2jfy h GLN 189 CO -0.17 0.64 -0.01 0.87 -0.95 0.00 0.00 178.83 179.21 2jfy h LYS 190 N 0.84 0.94 -0.20 1.46 1.79 -1.78 0.19 116.57 119.80 2jfy h LYS 190 Ca 0.21 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2jfy h LYS 190 Cb 0.07 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2jfy h LYS 190 CO -0.03 0.96 0.07 0.82 -1.08 0.00 0.00 179.45 180.19 2jfy h ILE 191 N 0.81 1.18 -0.83 1.86 2.04 -0.48 0.14 117.51 122.24 2jfy h ILE 191 Ca 0.15 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2jfy h ILE 191 Cb 0.54 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 2jfy h ILE 191 CO 0.03 0.18 0.53 -0.33 0.00 0.00 0.00 178.15 178.56 2jfy h GLU 192 N 0.17 1.01 -0.38 2.37 5.08 -0.86 -1.64 114.58 120.33 2jfy h GLU 192 Ca 0.07 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jfy h GLU 192 Cb 0.21 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2jfy h GLU 192 CO -0.00 0.67 0.04 0.78 -1.00 0.00 0.00 179.01 179.49 2jfy h GLY 193 N 1.04 0.62 0.95 -3.84 0.00 -0.21 -1.87 103.07 99.76 2jfy h GLY 193 Ca 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2jfy h GLY 193 CO -0.11 0.33 -0.21 -1.82 0.00 0.00 0.00 176.54 174.73 2jfy h TYR 194 N 0.56 -0.55 -0.57 5.60 3.20 -0.00 -0.65 116.97 124.55 2jfy h TYR 194 Ca 0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2jfy h TYR 194 Cb 0.30 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2jfy h TYR 194 CO 0.01 -0.31 0.10 0.74 -1.64 0.00 0.00 178.16 177.06 2jfy h PHE 195 N -0.66 0.99 -0.86 -3.82 -1.00 -1.39 0.18 116.94 110.39 2jfy h PHE 195 Ca -0.06 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.56 2jfy h PHE 195 Cb 0.49 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 2jfy h PHE 195 CO -0.03 0.87 0.43 0.52 -1.61 0.00 0.00 178.31 178.48 2jfy h MET 196 N 0.83 1.22 0.10 1.51 2.86 -1.32 -1.01 114.93 119.12 2jfy h MET 196 Ca 0.17 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 2jfy h MET 196 Cb 0.40 -0.23 0.02 0.00 0.06 0.00 0.00 31.60 31.85 2jfy h MET 196 CO 0.01 0.92 -0.71 0.78 1.06 0.00 0.00 176.91 178.97 2jfy h GLY 197 N 1.22 0.35 2.00 8.32 0.00 -0.91 -0.17 103.07 113.88 2jfy h GLY 197 Ca 0.30 -0.81 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2jfy h GLY 197 CO -0.04 0.71 -0.56 0.45 0.00 0.00 0.00 176.54 177.09 2jfy h HIS 198 N -0.33 0.00 -0.31 5.60 -0.00 -0.64 -3.19 115.15 116.28 2jfy h HIS 198 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2jfy h HIS 198 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 2jfy h HIS 198 CO 0.19 0.56 0.00 1.19 -0.00 0.00 0.00 177.93 179.87 2jfy n PHE 199 N -3.77 0.41 -3.79 2.45 3.01 -0.39 -5.01 117.46 110.37 2jfy n PHE 199 Ca -0.01 -0.47 -0.34 0.00 1.01 0.00 0.00 57.45 57.64 2jfy n PHE 199 Cb 0.59 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 40.06 2jfy n PHE 199 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jfy n ALA 200 N 0.46 -2.61 -2.81 4.37 0.00 -0.49 -4.96 120.51 114.47 2jfy n ALA 200 Ca 0.11 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 2jfy n ALA 200 Cb 0.41 -3.02 -0.06 0.00 0.00 0.00 0.00 19.45 16.77 2jfy n ALA 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jfy s LEU 201 N -6.43 4.35 0.45 0.00 1.43 -0.20 -4.98 118.68 113.30 2jfy s LEU 201 Ca 0.39 0.46 0.21 0.00 -1.03 0.00 0.00 54.13 54.16 2jfy s LEU 201 Cb -0.17 -2.13 1.08 0.00 0.03 0.00 0.00 46.19 45.00 2jfy s LEU 201 CO 0.90 0.34 1.94 1.55 0.23 0.00 0.00 176.35 181.30 2jfy h PRO 202 N 5.41 0.00 -4.12 1.29 0.13 -1.93 -3.44 132.00 129.34 2jfy h PRO 202 Ca -0.51 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.43 2jfy h PRO 202 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2jfy h PRO 202 CO 0.63 0.23 -0.71 0.95 -0.23 0.00 0.00 178.00 178.87 2jfy s THR 203 N -4.13 0.21 0.64 1.56 -4.23 -1.26 -5.15 115.64 103.29 2jfy s THR 203 Ca -0.02 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 2jfy s THR 203 Cb 0.13 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.54 2jfy s THR 203 CO 0.65 -0.51 1.04 -2.16 -0.54 0.00 0.00 174.62 173.10 2jfy s PRO 204 N -1.64 3.39 1.03 3.99 0.04 -1.26 -4.84 135.00 135.71 2jfy s PRO 204 Ca -0.13 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 2jfy s PRO 204 Cb -0.09 -2.05 0.21 0.00 0.04 0.00 0.00 34.50 32.60 2jfy s PRO 204 CO -0.01 -0.73 1.08 -1.25 0.04 0.00 0.00 177.00 176.12 2jfy s PRO 205 N -5.15 0.16 -0.07 0.56 0.04 -1.26 -4.96 135.00 124.32 2jfy s PRO 205 Ca 0.56 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 61.96 2jfy s PRO 205 Cb -0.12 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2jfy s PRO 205 CO 0.54 -2.94 0.86 -1.17 0.04 0.00 0.00 177.00 174.33 2jfy s LEU 206 N -6.63 4.29 -0.14 -3.56 2.96 0.03 -4.86 118.68 110.76 2jfy s LEU 206 Ca 0.66 1.38 -0.04 0.00 -0.22 0.00 0.00 54.13 55.91 2jfy s LEU 206 Cb -0.20 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 2jfy s LEU 206 CO 0.59 -0.27 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.59 2jfy s LEU 207 N 1.33 3.46 -0.34 -0.68 1.02 -1.26 0.11 118.68 122.32 2jfy s LEU 207 Ca 0.44 -0.01 -0.13 0.00 0.02 0.00 0.00 54.13 54.45 2jfy s LEU 207 Cb -0.19 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 2jfy s LEU 207 CO 0.20 0.23 0.24 -0.63 0.02 0.00 0.00 176.35 176.41 2jfy s ILE 208 N 0.03 5.28 -0.24 -0.59 -1.09 -0.22 -4.96 121.20 119.40 2jfy s ILE 208 Ca 0.02 -0.24 -0.23 0.00 -2.23 0.00 0.00 60.65 57.97 2jfy s ILE 208 Cb -0.13 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2jfy s ILE 208 CO 0.02 -0.02 0.74 -2.28 -1.23 0.00 0.00 174.94 172.17 2jfy s HIS 209 N 1.72 3.30 0.27 3.97 2.46 -1.26 -1.77 115.29 123.98 2jfy s HIS 209 Ca 0.06 1.00 -0.02 0.00 0.47 0.00 0.00 55.06 56.58 2jfy s HIS 209 Cb -0.17 -2.96 0.43 0.00 -0.13 0.00 0.00 32.58 29.74 2jfy s HIS 209 CO 0.10 -0.36 1.88 0.77 -2.47 0.00 0.00 174.74 174.67 2jfy h SER 210 N 7.75 1.03 -0.36 9.88 0.02 -1.90 -1.46 113.55 128.51 2jfy h SER 210 Ca -0.25 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 2jfy h SER 210 Cb 1.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2jfy h SER 210 CO 0.83 0.65 -0.16 1.23 -1.14 0.00 0.00 176.83 178.24 2jfy h GLY 211 N 1.16 0.81 1.96 -3.77 0.00 -1.91 -2.01 103.07 99.31 2jfy h GLY 211 Ca 0.43 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2jfy h GLY 211 CO -0.18 0.65 -0.44 -0.55 0.00 0.00 0.00 176.54 176.03 2jfy h ASP 212 N 0.53 0.04 0.05 0.19 3.32 -1.84 -2.57 116.42 116.15 2jfy h ASP 212 Ca 0.08 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2jfy h ASP 212 Cb 0.69 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2jfy h ASP 212 CO 0.05 0.48 -0.02 0.00 -1.72 0.00 0.00 179.24 178.02 2jfy h ALA 213 N 1.53 -0.07 -0.13 3.45 0.00 -1.16 -2.75 119.26 120.14 2jfy h ALA 213 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jfy h ALA 213 Cb 0.79 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jfy h ALA 213 CO 0.06 -0.23 0.09 0.97 0.00 0.00 0.00 179.25 180.13 2jfy h ILE 214 N -0.67 0.98 -0.49 0.00 2.10 -1.37 -0.75 117.51 117.31 2jfy h ILE 214 Ca -0.01 -0.02 -0.06 0.00 1.08 0.00 0.00 64.86 65.84 2jfy h ILE 214 Cb 0.58 0.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.19 2jfy h ILE 214 CO 0.01 0.01 0.06 0.58 -1.08 0.00 0.00 178.15 177.73 2jfy h VAL 215 N 0.07 1.25 -0.23 2.19 2.07 -1.42 0.17 116.25 120.36 2jfy h VAL 215 Ca 0.05 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2jfy h VAL 215 Cb 0.13 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2jfy h VAL 215 CO -0.01 0.34 -0.10 -0.33 0.02 0.00 0.00 177.57 177.50 2jfy h GLU 216 N 0.70 0.37 -0.09 1.57 5.08 -0.86 -0.40 114.58 120.94 2jfy h GLU 216 Ca 0.15 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2jfy h GLU 216 Cb 0.43 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jfy h GLU 216 CO 0.01 0.48 -0.44 -0.92 -1.00 0.00 0.00 179.01 177.14 2jfy h TYR 217 N 0.35 0.61 0.00 4.33 3.20 -0.96 -2.79 116.97 121.71 2jfy h TYR 217 Ca 0.07 -0.27 -0.05 0.00 3.14 0.00 0.00 58.73 61.62 2jfy h TYR 217 Cb 0.40 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2jfy h TYR 217 CO 0.01 1.03 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.27 2jfy h LEU 218 N 0.02 0.00 -0.23 2.82 4.07 -0.75 -0.53 115.31 120.71 2jfy h LEU 218 Ca -0.03 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.74 2jfy h LEU 218 Cb 1.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 2jfy h LEU 218 CO 0.09 0.23 -0.90 1.56 -1.08 0.00 0.00 178.44 178.34 2jfy h GLN 219 N 0.00 0.06 0.00 1.13 4.20 -1.09 -3.38 115.11 116.03 2jfy h GLN 219 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jfy h GLN 219 Cb 0.72 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2jfy h GLN 219 CO 0.03 0.92 0.00 0.94 -0.67 0.00 0.00 178.83 180.05 2jfy n GLN 220 N -3.54 0.00 -0.97 1.46 7.27 -1.00 -3.31 117.38 117.29 2jfy n GLN 220 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.73 2jfy n GLN 220 Cb 0.84 -0.44 0.14 0.00 2.41 0.00 0.00 30.24 33.18 2jfy n GLN 220 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jfy s LYS 221 N -0.13 1.48 -1.49 3.69 3.01 -0.24 -2.01 119.74 124.05 2jfy s LYS 221 Ca 0.00 1.58 -0.13 0.00 -1.01 0.00 0.00 55.97 56.42 2jfy s LYS 221 Cb 0.00 -1.78 0.09 0.00 -1.01 0.00 0.00 37.83 35.13 2jfy s LYS 221 CO 0.00 -2.30 0.78 0.66 0.51 0.00 0.00 175.35 175.00 2jfy n TYR 222 N -3.71 -2.04 -0.09 3.18 4.02 -1.26 -4.43 117.16 112.83 2jfy n TYR 222 Ca 0.12 0.73 -0.04 0.00 -0.01 0.00 0.00 57.90 58.70 2jfy n TYR 222 Cb 0.52 -3.53 -0.01 0.00 -0.02 0.00 0.00 39.34 36.30 2jfy n TYR 222 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jfy n ALA 223 N -4.20 -0.25 -3.07 -0.72 0.00 -0.85 -4.79 120.51 106.61 2jfy n ALA 223 Ca 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 2jfy n ALA 223 Cb 0.53 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 2jfy n ALA 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jfy s LEU 224 N 0.11 1.47 0.80 0.00 1.43 -1.21 -5.04 118.68 116.24 2jfy s LEU 224 Ca 0.05 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 2jfy s LEU 224 Cb -0.08 0.39 0.08 0.00 0.03 0.00 0.00 46.19 46.61 2jfy s LEU 224 CO 0.04 -0.05 1.21 -0.75 0.23 0.00 0.00 176.35 177.02 2jfy s LYS 225 N 0.18 1.67 -0.14 1.70 2.47 -1.26 -4.87 119.74 119.49 2jfy s LYS 225 Ca -0.01 1.76 0.05 0.00 -1.56 0.00 0.00 55.97 56.21 2jfy s LYS 225 Cb -0.02 -1.78 0.37 0.00 -1.46 0.00 0.00 37.83 34.94 2jfy s LYS 225 CO -0.00 -2.19 1.18 0.09 0.16 0.00 0.00 175.35 174.59 2jfy n ASN 226 N -3.26 3.27 -1.39 1.43 3.02 -1.26 -3.81 115.26 113.27 2jfy n ASN 226 Ca 0.13 -2.53 -0.00 0.00 -0.03 0.00 0.00 54.58 52.16 2jfy n ASN 226 Cb 0.50 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2jfy n ASN 226 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jfy n ASN 227 N 0.14 -0.01 0.00 6.41 4.05 -1.21 -4.60 115.26 120.05 2jfy n ASN 227 Ca 0.17 -0.89 0.04 0.00 0.45 0.00 0.00 54.58 54.35 2jfy n ASN 227 Cb 0.80 0.00 0.23 0.00 1.23 0.00 0.00 39.78 42.04 2jfy n ASN 227 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jfy n ALA 228 N -0.01 1.84 -3.58 5.20 0.00 -1.03 -4.67 120.51 118.27 2jfy n ALA 228 Ca -0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2jfy n ALA 228 Cb 0.47 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 2jfy n ALA 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfy n THR 230 N 1.80 0.00 -3.28 0.00 -1.04 -1.26 -4.80 114.28 105.71 2jfy n THR 230 Ca -0.16 0.07 -0.45 0.00 -2.04 0.00 0.00 64.05 61.46 2jfy n THR 230 Cb 0.56 -0.19 -0.06 0.00 -1.82 0.00 0.00 70.33 68.83 2jfy n THR 230 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2jfy s PHE 231 N -0.01 3.18 0.12 -1.42 5.36 -1.26 -5.05 117.98 118.90 2jfy s PHE 231 Ca 0.00 -1.08 -0.30 0.00 -0.96 0.00 0.00 56.93 54.59 2jfy s PHE 231 Cb 0.00 -3.67 -0.07 0.00 -0.34 0.00 0.00 43.02 38.94 2jfy s PHE 231 CO 0.00 -1.02 1.16 -1.25 -1.46 0.00 0.00 175.22 172.65 2jfy s PRO 232 N 1.91 4.50 0.15 10.12 0.04 -1.26 -5.01 135.00 145.44 2jfy s PRO 232 Ca 0.06 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 2jfy s PRO 232 Cb -0.27 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 2jfy s PRO 232 CO 0.05 -0.11 0.82 0.21 0.04 0.00 0.00 177.00 178.01 2jfy s LYS 233 N 0.32 4.62 -0.04 4.56 2.20 -0.22 -4.96 119.74 126.22 2jfy s LYS 233 Ca 0.54 1.23 0.03 0.00 -0.36 0.00 0.00 55.97 57.41 2jfy s LYS 233 Cb -0.30 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2jfy s LYS 233 CO 0.33 0.46 -0.11 0.08 -0.36 0.00 0.00 175.35 175.75 2jfy s VAL 234 N -0.80 0.94 -0.11 4.02 1.01 -1.26 -1.34 120.40 122.87 2jfy s VAL 234 Ca 0.39 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2jfy s VAL 234 Cb -0.23 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2jfy s VAL 234 CO 0.27 0.29 -0.06 -1.61 0.00 0.00 0.00 175.10 173.99 2jfy s GLU 235 N 0.28 3.20 -0.14 2.72 2.02 -0.25 -4.99 118.70 121.54 2jfy s GLU 235 Ca -0.05 -0.54 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 2jfy s GLU 235 Cb -0.11 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2jfy s GLU 235 CO 0.01 0.45 -0.09 -0.06 0.02 0.00 0.00 175.26 175.59 2jfy s PHE 236 N -0.22 2.91 0.01 1.61 0.40 -1.26 -0.95 117.98 120.48 2jfy s PHE 236 Ca 0.03 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 2jfy s PHE 236 Cb -0.13 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 2jfy s PHE 236 CO 0.03 -0.15 -0.07 -1.01 0.70 0.00 0.00 175.22 174.72 2jfy s HIS 237 N 0.41 0.58 0.02 0.36 3.76 -0.00 -4.99 115.29 115.43 2jfy s HIS 237 Ca -0.07 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.51 2jfy s HIS 237 Cb -0.15 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.19 2jfy s HIS 237 CO 0.04 -0.03 0.25 0.00 -0.85 0.00 0.00 174.74 174.16 2jfy s ALA 238 N -0.48 -0.58 -0.12 -1.40 0.00 -1.26 -0.85 121.76 117.07 2jfy s ALA 238 Ca -0.01 0.02 0.18 0.00 0.00 0.00 0.00 51.96 52.15 2jfy s ALA 238 Cb -0.04 0.19 0.27 0.00 0.00 0.00 0.00 23.12 23.54 2jfy s ALA 238 CO 0.00 -0.31 1.54 0.66 0.00 0.00 0.00 175.76 177.65 2jfy h SER 239 N 3.67 0.00 -3.02 0.00 4.64 -1.77 -3.43 113.55 113.65 2jfy h SER 239 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2jfy h SER 239 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2jfy h SER 239 CO 0.44 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 2jfy n GLY 240 N 0.98 1.23 3.63 -0.77 0.00 -1.26 -4.59 105.19 104.41 2jfy n GLY 240 Ca 0.02 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2jfy n GLY 240 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jfy s ASP 241 N -1.00 6.02 0.55 1.61 -1.08 -1.26 -4.85 116.67 116.66 2jfy s ASP 241 Ca 0.00 2.25 0.26 0.00 -0.52 0.00 0.00 52.55 54.54 2jfy s ASP 241 Cb 0.00 -2.52 1.58 0.00 -1.46 0.00 0.00 42.92 40.52 2jfy s ASP 241 CO 0.00 -1.46 2.17 1.62 0.52 0.00 0.00 175.17 178.02 2jfy h VAL 242 N 6.33 0.64 -0.55 1.11 3.04 -1.94 -1.92 116.25 122.96 2jfy h VAL 242 Ca -0.45 -0.22 -0.09 0.00 -1.01 0.00 0.00 66.70 64.93 2jfy h VAL 242 Cb 1.23 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 2jfy h VAL 242 CO 0.95 0.05 -0.03 0.40 -1.01 0.00 0.00 177.57 177.94 2jfy h ILE 243 N 0.00 1.27 -0.83 3.17 2.04 -1.98 -0.50 117.51 120.68 2jfy h ILE 243 Ca -0.00 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 2jfy h ILE 243 Cb 0.13 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2jfy h ILE 243 CO 0.01 0.41 0.41 -0.50 0.00 0.00 0.00 178.15 178.48 2jfy h TRP 244 N 0.87 1.18 -0.21 1.37 4.06 -1.74 -1.18 115.95 120.29 2jfy h TRP 244 Ca 0.15 -0.05 -0.10 0.00 2.06 0.00 0.00 58.89 60.96 2jfy h TRP 244 Cb 0.57 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2jfy h TRP 244 CO 0.04 0.84 -0.25 1.25 -3.56 0.00 0.00 178.44 176.76 2jfy h LEU 245 N 1.17 0.59 -1.28 -4.49 6.46 -1.31 -3.08 115.31 113.37 2jfy h LEU 245 Ca 0.29 -0.49 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 2jfy h LEU 245 Cb 0.09 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 2jfy h LEU 245 CO -0.04 0.97 0.25 -0.33 -0.62 0.00 0.00 178.44 178.66 2jfy h GLU 246 N 0.23 0.74 -0.49 1.25 5.08 -0.95 -2.22 114.58 118.22 2jfy h GLU 246 Ca 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2jfy h GLU 246 Cb 0.81 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2jfy h GLU 246 CO 0.06 0.58 0.18 -0.09 -1.00 0.00 0.00 179.01 178.74 2jfy h ARG 247 N 0.74 0.71 0.00 2.33 9.65 -1.17 -2.11 114.38 124.54 2jfy h ARG 247 Ca 0.18 -0.11 -0.12 0.00 -1.10 0.00 0.00 59.98 58.83 2jfy h ARG 247 Cb 0.09 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 2jfy h ARG 247 CO -0.02 0.60 -0.58 1.96 2.80 0.00 0.00 179.97 184.73 2jfy h GLN 248 N 0.71 0.00 -0.78 0.20 1.08 -1.34 -3.12 115.11 111.85 2jfy h GLN 248 Ca 0.17 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.47 2jfy h GLN 248 Cb 0.17 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 2jfy h GLN 248 CO -0.01 0.58 0.51 0.00 -0.95 0.00 0.00 178.83 178.96 2jfy h ALA 249 N 1.42 1.78 -0.23 3.87 0.00 -0.82 -0.12 119.26 125.17 2jfy h ALA 249 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jfy h ALA 249 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2jfy h ALA 249 CO 0.07 0.05 0.14 0.87 0.00 0.00 0.00 179.25 180.38 2jfy h LYS 250 N 0.70 0.32 -0.16 0.00 1.79 -1.52 0.06 116.57 117.77 2jfy h LYS 250 Ca 0.36 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.75 2jfy h LYS 250 Cb 0.46 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2jfy h LYS 250 CO -0.14 0.28 -0.07 1.49 -1.08 0.00 0.00 179.45 179.93 2jfy h GLU 251 N 0.28 0.33 -0.37 3.15 4.57 -1.37 -2.12 114.58 119.05 2jfy h GLU 251 Ca 0.08 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 2jfy h GLU 251 Cb 0.04 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2jfy h GLU 251 CO -0.01 0.64 -0.21 -1.49 -1.18 0.00 0.00 179.01 176.75 2jfy h TRP 252 N 0.01 0.93 0.00 0.92 4.06 -1.04 -3.14 115.95 117.69 2jfy h TRP 252 Ca 0.04 -0.24 -0.09 0.00 2.06 0.00 0.00 58.89 60.66 2jfy h TRP 252 Cb 0.54 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2jfy h TRP 252 CO 0.06 1.00 -0.41 -0.07 -3.56 0.00 0.00 178.44 175.46 2jfy h LEU 253 N 0.59 0.00 -9.65 -4.49 3.38 -1.05 -3.45 115.31 100.64 2jfy h LEU 253 Ca 0.08 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.47 2jfy h LEU 253 Cb 0.77 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.65 2jfy h LEU 253 CO 0.06 0.41 0.18 1.17 0.09 0.00 0.00 178.44 180.35 2jfy n LYS 254 N -3.51 1.39 0.00 1.13 3.00 -0.80 -5.01 118.16 114.37 2jfy n LYS 254 Ca -0.00 0.50 0.04 0.00 -0.00 0.00 0.00 58.31 58.85 2jfy n LYS 254 Cb 0.54 -2.05 0.24 0.00 0.00 0.00 0.00 35.03 33.76 2jfy n LYS 254 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29