#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 4.05 0.26 2.12 2.20 -1.26 -3.81 119.74 123.29 2jfy s LYS 2 Ca 0.00 -0.26 0.08 0.00 -0.36 0.00 0.00 55.97 55.42 2jfy s LYS 2 Cb 0.00 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 2jfy s LYS 2 CO 0.00 -0.00 -0.10 0.96 -0.36 0.00 0.00 175.35 175.84 2jfy s ILE 3 N 1.24 1.82 0.09 5.43 -4.36 -0.79 -0.36 121.20 124.27 2jfy s ILE 3 Ca 0.08 -2.19 0.09 0.00 -0.26 0.00 0.00 60.65 58.36 2jfy s ILE 3 Cb -0.14 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 2jfy s ILE 3 CO 0.06 -0.39 -0.20 -0.83 0.24 0.00 0.00 174.94 173.82 2jfy s GLY 4 N -3.43 1.61 -0.12 6.27 0.00 -0.40 -0.70 107.32 110.55 2jfy s GLY 4 Ca 0.28 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2jfy s GLY 4 CO 0.11 -1.25 -0.12 0.14 0.00 0.00 0.00 173.10 171.99 2jfy s VAL 5 N -1.03 1.33 -0.10 1.40 1.01 0.05 -0.34 120.40 122.73 2jfy s VAL 5 Ca 0.16 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2jfy s VAL 5 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2jfy s VAL 5 CO 0.07 0.42 -0.07 0.12 0.00 0.00 0.00 175.10 175.64 2jfy s PHE 6 N 1.41 2.93 0.13 5.22 5.36 0.37 -1.26 117.98 132.15 2jfy s PHE 6 Ca 0.01 -0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 55.69 2jfy s PHE 6 Cb -0.13 -1.79 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 2jfy s PHE 6 CO -0.07 0.16 0.37 0.34 -1.46 0.00 0.00 175.22 174.56 2jfy s ASP 7 N -0.35 -0.15 0.45 6.13 2.15 -0.72 -0.82 116.67 123.36 2jfy s ASP 7 Ca 0.05 -0.46 0.30 0.00 0.43 0.00 0.00 52.55 52.87 2jfy s ASP 7 Cb -0.12 0.46 1.18 0.00 -0.30 0.00 0.00 42.92 44.14 2jfy s ASP 7 CO 0.02 -0.87 1.88 0.77 -0.17 0.00 0.00 175.17 176.80 2jfy h SER 8 N 2.42 0.00 0.00 -0.34 4.64 -1.90 -1.21 113.55 117.16 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 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2jfy h SER 8 CO 0.47 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 2jfy n GLY 9 N 0.12 1.11 0.01 -0.77 0.00 -1.26 -2.50 105.19 101.91 2jfy n GLY 9 Ca 0.01 0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 0.07 0.01 1.61 0.24 -1.26 -4.25 118.33 114.75 2jfy n VAL 10 Ca 0.00 -0.10 0.09 0.00 -2.04 0.00 0.00 64.34 62.28 2jfy n VAL 10 Cb 0.00 0.45 0.50 0.00 -1.47 0.00 0.00 33.84 33.32 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 4.80 0.45 2.00 7.63 0.00 -1.95 -1.60 103.07 114.40 2jfy h GLY 11 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2jfy h GLY 11 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.27 2jfy n GLY 12 N -1.51 -0.81 0.31 4.60 0.00 -1.26 -1.65 105.19 104.87 2jfy n GLY 12 Ca 0.05 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.07 1.61 0.05 -1.59 -0.31 116.94 116.63 2jfy h PHE 13 Ca 0.00 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.71 2jfy h PHE 13 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 2jfy h PHE 13 CO 0.00 0.02 -0.34 0.66 -0.18 0.00 0.00 178.31 178.46 2jfy h SER 14 N 0.00 0.14 0.32 2.17 4.64 -1.54 0.19 113.55 119.47 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 0.16 -0.04 0.03 0.00 -0.31 0.00 0.00 62.40 62.24 2jfy h SER 14 CO 0.00 0.48 -1.47 0.58 -0.87 0.00 0.00 176.83 175.56 2jfy h VAL 15 N 0.12 1.29 -0.81 0.95 2.07 -1.31 -3.16 116.25 115.40 2jfy h VAL 15 Ca 0.01 -2.75 0.03 0.00 0.82 0.00 0.00 66.70 64.82 2jfy h VAL 15 Cb 0.67 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 33.41 2jfy h VAL 15 CO 0.05 0.83 0.53 0.25 0.02 0.00 0.00 177.57 179.25 2jfy h LEU 16 N 0.13 0.87 -0.33 2.57 5.85 -0.81 -0.20 115.31 123.39 2jfy h LEU 16 Ca -0.25 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2jfy h LEU 16 Cb 2.14 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 2jfy h LEU 16 CO 0.26 0.60 0.15 0.50 -0.34 0.00 0.00 178.44 179.61 2jfy h LYS 17 N 1.01 0.30 -0.51 1.25 3.64 -0.65 0.11 116.57 121.71 2jfy h LYS 17 Ca 0.32 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2jfy h LYS 17 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2jfy h LYS 17 CO -0.09 0.20 0.09 0.77 -2.27 0.00 0.00 179.45 178.15 2jfy h SER 18 N 0.31 0.81 -0.24 4.20 0.02 -1.29 -2.06 113.55 115.32 2jfy h SER 18 Ca 0.14 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2jfy h SER 18 Cb 0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2jfy h SER 18 CO -0.11 0.86 0.15 -0.07 -1.14 0.00 0.00 176.83 176.52 2jfy h LEU 19 N 0.73 0.25 -0.71 5.07 3.38 -0.73 -2.30 115.31 121.01 2jfy h LEU 19 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jfy h LEU 19 Cb 0.39 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2jfy h LEU 19 CO 0.01 0.18 0.44 -0.07 0.09 0.00 0.00 178.44 179.10 2jfy h LEU 20 N 0.30 0.83 -0.90 1.67 3.38 -0.85 -2.64 115.31 117.10 2jfy h LEU 20 Ca 0.09 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jfy h LEU 20 Cb -0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2jfy h LEU 20 CO -0.03 0.63 0.15 0.50 0.09 0.00 0.00 178.44 179.78 2jfy h LYS 21 N 0.96 0.96 0.00 1.13 3.64 -1.19 -2.78 116.57 119.28 2jfy h LYS 21 Ca 0.26 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jfy h LYS 21 Cb -0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2jfy h LYS 21 CO -0.05 0.85 0.00 0.00 -2.27 0.00 0.00 179.45 177.98 2jfy h ALA 22 N 1.24 1.00 -6.14 5.00 0.00 -1.12 -3.48 119.26 115.77 2jfy h ALA 22 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.69 2jfy h ALA 22 Cb 0.32 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.17 2jfy h ALA 22 CO -0.00 0.00 -0.88 0.54 0.00 0.00 0.00 179.25 178.91 2jfy n ARG 23 N -2.71 -3.20 -0.07 0.00 1.74 -1.02 -4.40 116.66 107.00 2jfy n ARG 23 Ca 0.03 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.52 2jfy n ARG 23 Cb 0.36 -4.79 -0.14 0.00 -1.02 0.00 0.00 32.46 26.87 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 -4.17 1.50 -4.35 0.55 4.77 -1.26 -1.03 117.00 113.02 2jfy n LEU 24 Ca -0.22 0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 2jfy n LEU 24 Cb 0.65 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2jfy n LEU 24 CO 0.68 0.66 -0.57 -0.36 -1.33 0.00 0.00 177.39 176.47 2jfy s PHE 25 N -2.54 2.32 -0.28 -1.77 0.40 -1.26 -4.69 117.98 110.16 2jfy s PHE 25 Ca -0.18 -0.41 0.20 0.00 -0.60 0.00 0.00 56.93 55.94 2jfy s PHE 25 Cb 0.07 -1.38 0.11 0.00 0.51 0.00 0.00 43.02 42.33 2jfy s PHE 25 CO 0.76 0.13 1.29 -0.44 0.70 0.00 0.00 175.22 177.66 2jfy h ASP 26 N 4.75 0.00 -3.54 1.36 3.45 -1.94 -3.43 116.42 117.08 2jfy h ASP 26 Ca -0.47 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 56.70 2jfy h ASP 26 Cb 1.14 0.00 -0.33 0.00 -0.56 0.00 0.00 39.33 39.58 2jfy h ASP 26 CO 0.43 0.18 -0.73 -0.70 -1.57 0.00 0.00 179.24 176.85 2jfy s GLU 27 N -3.17 -0.01 -0.06 3.56 2.12 -1.25 -1.71 118.70 118.18 2jfy s GLU 27 Ca 0.03 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.52 2jfy s GLU 27 Cb 0.07 -0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.24 2jfy s GLU 27 CO 0.74 -0.15 -0.04 0.42 -0.54 0.00 0.00 175.26 175.69 2jfy s ILE 28 N 0.96 0.60 -0.38 -3.70 1.01 -0.27 -1.89 121.20 117.53 2jfy s ILE 28 Ca -0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 2jfy s ILE 28 Cb -0.12 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.74 2jfy s ILE 28 CO -0.03 0.27 0.21 -0.63 0.00 0.00 0.00 174.94 174.76 2jfy s ILE 29 N 1.35 4.44 -0.17 2.92 -1.09 0.13 -1.35 121.20 127.42 2jfy s ILE 29 Ca -0.04 -1.02 -0.15 0.00 -2.23 0.00 0.00 60.65 57.22 2jfy s ILE 29 Cb -0.13 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2jfy s ILE 29 CO -0.03 -0.30 0.34 -0.47 -1.23 0.00 0.00 174.94 173.25 2jfy s TYR 30 N 1.51 3.44 -0.11 3.97 5.04 0.66 -0.77 117.35 131.10 2jfy s TYR 30 Ca 0.02 0.63 0.01 0.00 -2.44 0.00 0.00 57.07 55.28 2jfy s TYR 30 Cb -0.20 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.72 2jfy s TYR 30 CO 0.05 0.17 -0.12 -0.47 -1.34 0.00 0.00 175.55 173.84 2jfy s TYR 31 N 0.69 1.77 -0.16 4.97 5.04 -0.39 0.13 117.35 129.40 2jfy s TYR 31 Ca 0.18 -0.86 0.01 0.00 -2.44 0.00 0.00 57.07 53.97 2jfy s TYR 31 Cb -0.14 -1.34 0.02 0.00 0.35 0.00 0.00 41.96 40.86 2jfy s TYR 31 CO 0.06 -0.49 -0.19 0.20 -1.34 0.00 0.00 175.55 173.79 2jfy s GLY 32 N 1.26 1.30 -0.30 8.97 0.00 -0.42 -1.76 107.32 116.36 2jfy s GLY 32 Ca -0.02 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.56 2jfy s GLY 32 CO -0.05 0.26 3.02 1.34 0.00 0.00 0.00 173.10 177.67 2jfy n ASP 33 N 4.49 5.04 0.28 1.64 2.03 -0.46 -2.45 116.55 127.12 2jfy n ASP 33 Ca -0.20 -2.36 0.18 0.00 0.52 0.00 0.00 54.79 52.93 2jfy n ASP 33 Cb 0.50 -1.23 0.87 0.00 -0.72 0.00 0.00 41.12 40.54 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 3.93 0.00 1.12 1.67 4.64 -1.79 0.49 113.55 123.62 2jfy h SER 34 Ca 0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2jfy h SER 34 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2jfy h SER 34 CO 0.58 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 176.34 2jfy h ALA 35 N 1.52 0.97 -0.00 5.18 0.00 -1.83 -3.31 119.26 121.79 2jfy h ALA 35 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jfy h ALA 35 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jfy h ALA 35 CO -0.00 0.25 -0.08 0.54 0.00 0.00 0.00 179.25 179.96 2jfy n ARG 36 N -3.29 1.73 -1.75 0.00 1.74 0.12 -4.99 116.66 110.22 2jfy n ARG 36 Ca 0.01 -0.54 -0.40 0.00 -0.77 0.00 0.00 57.85 56.15 2jfy n ARG 36 Cb 0.46 -0.97 0.02 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.19 2.94 -2.86 1.55 3.14 -0.95 -4.52 118.33 117.45 2jfy n VAL 37 Ca 0.02 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.64 2jfy n VAL 37 Cb 0.12 -1.79 -0.00 0.00 -1.06 0.00 0.00 33.84 31.10 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 -2.49 3.47 -0.16 1.45 0.04 -1.26 -5.04 135.00 131.00 2jfy s PRO 38 Ca 0.63 -0.01 0.11 0.00 0.04 0.00 0.00 61.00 61.77 2jfy s PRO 38 Cb -0.45 -2.46 -0.23 0.00 0.04 0.00 0.00 34.50 31.40 2jfy s PRO 38 CO 0.56 -0.13 0.21 0.66 0.04 0.00 0.00 177.00 178.34 2jfy n TYR 39 N -2.13 0.41 0.18 0.56 4.02 -1.26 -4.55 117.16 114.38 2jfy n TYR 39 Ca -0.01 0.13 0.18 0.00 -0.01 0.00 0.00 57.90 58.19 2jfy n TYR 39 Cb 0.56 -1.07 0.81 0.00 -0.02 0.00 0.00 39.34 39.61 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 3.19 0.00 -2.13 2.72 0.00 -1.97 -1.43 103.07 103.45 2jfy h GLY 40 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2jfy h GLY 40 CO 0.03 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.27 2jfy n THR 41 N -3.82 0.63 -3.57 4.70 -2.24 -1.26 -1.26 114.28 107.46 2jfy n THR 41 Ca 0.03 -0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 60.88 2jfy n THR 41 Cb 0.39 0.64 0.02 0.00 -2.10 0.00 0.00 70.33 69.27 2jfy n THR 41 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jfy n LYS 42 N 1.28 0.80 -3.05 -0.78 5.02 -0.54 -5.01 118.16 115.88 2jfy n LYS 42 Ca 0.20 -2.62 -0.26 0.00 -2.02 0.00 0.00 58.31 53.60 2jfy n LYS 42 Cb 0.54 0.14 -0.01 0.00 -0.02 0.00 0.00 35.03 35.68 2jfy n LYS 42 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2jfy s ASP 43 N -3.62 6.32 0.21 4.39 1.47 -1.26 -4.75 116.67 119.43 2jfy s ASP 43 Ca 0.32 0.73 -0.10 0.00 1.18 0.00 0.00 52.55 54.68 2jfy s ASP 43 Cb -0.03 -2.16 0.27 0.00 -0.34 0.00 0.00 42.92 40.67 2jfy s ASP 43 CO 0.20 -0.39 1.74 -0.65 0.68 0.00 0.00 175.17 176.75 2jfy h PRO 44 N 0.75 0.37 -0.54 2.11 0.11 -1.98 -1.08 132.00 131.74 2jfy h PRO 44 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jfy h PRO 44 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2jfy h PRO 44 CO 0.62 0.25 0.24 1.15 -0.21 0.00 0.00 178.00 180.05 2jfy h THR 45 N 0.38 1.21 -0.30 -1.15 2.02 -1.98 -0.49 112.91 112.59 2jfy h THR 45 Ca 0.30 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2jfy h THR 45 Cb 0.38 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jfy h THR 45 CO -0.31 0.24 0.12 0.74 0.37 0.00 0.00 175.52 176.68 2jfy h THR 46 N 0.73 1.18 -0.75 3.16 2.02 -1.85 -2.67 112.91 114.74 2jfy h THR 46 Ca 0.18 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 2jfy h THR 46 Cb 0.16 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2jfy h THR 46 CO -0.02 0.19 0.27 0.40 0.37 0.00 0.00 175.52 176.73 2jfy h ILE 47 N 0.34 1.26 -0.75 3.11 2.04 -1.00 -1.89 117.51 120.62 2jfy h ILE 47 Ca 0.10 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 2jfy h ILE 47 Cb 0.19 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2jfy h ILE 47 CO -0.01 0.34 0.32 0.11 0.00 0.00 0.00 178.15 178.91 2jfy h LYS 48 N 1.10 1.11 -0.22 2.37 1.57 -1.01 -1.53 116.57 119.95 2jfy h LYS 48 Ca 0.25 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2jfy h LYS 48 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jfy h LYS 48 CO -0.01 0.88 -0.43 0.37 -0.57 0.00 0.00 179.45 179.69 2jfy h GLN 49 N 1.09 0.54 -0.76 3.15 5.75 -1.16 -2.20 115.11 121.52 2jfy h GLN 49 Ca 0.26 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2jfy h GLN 49 Cb 0.18 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 2jfy h GLN 49 CO -0.03 0.87 0.35 0.74 -2.65 0.00 0.00 178.83 178.12 2jfy h PHE 50 N 0.44 1.10 -0.23 3.99 0.04 -0.87 -0.43 116.94 120.99 2jfy h PHE 50 Ca 0.03 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2jfy h PHE 50 Cb 0.93 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2jfy h PHE 50 CO 0.04 0.81 0.09 0.78 -0.60 0.00 0.00 178.31 179.43 2jfy h GLY 51 N 1.13 0.37 1.39 -1.45 0.00 -0.94 -0.84 103.07 102.72 2jfy h GLY 51 Ca 0.26 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2jfy h GLY 51 CO -0.03 0.19 0.01 1.41 0.00 0.00 0.00 176.54 178.11 2jfy h LEU 52 N 0.22 0.72 -1.36 3.11 3.38 -1.15 -2.08 115.31 118.15 2jfy h LEU 52 Ca 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2jfy h LEU 52 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jfy h LEU 52 CO -0.01 0.78 -0.30 -0.33 0.09 0.00 0.00 178.44 178.68 2jfy h GLU 53 N 0.71 0.00 -0.32 1.13 5.08 -0.75 -1.92 114.58 118.50 2jfy h GLU 53 Ca 0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2jfy h GLU 53 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2jfy h GLU 53 CO 0.02 0.30 -0.15 0.00 -1.00 0.00 0.00 179.01 178.17 2jfy h ALA 54 N 1.70 1.13 -0.15 3.43 0.00 -0.45 -2.22 119.26 122.71 2jfy h ALA 54 Ca -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2jfy h ALA 54 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jfy h ALA 54 CO 0.04 0.54 -0.31 -0.07 0.00 0.00 0.00 179.25 179.45 2jfy h LEU 55 N 0.52 0.29 -0.52 0.00 3.38 -1.11 -2.40 115.31 115.48 2jfy h LEU 55 Ca 0.09 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2jfy h LEU 55 Cb 0.57 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jfy h LEU 55 CO 0.04 0.60 -0.37 0.44 0.09 0.00 0.00 178.44 179.23 2jfy h ASP 56 N 0.25 0.84 -0.79 -0.43 3.32 -1.02 -1.90 116.42 116.70 2jfy h ASP 56 Ca 0.03 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 2jfy h ASP 56 Cb 0.68 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2jfy h ASP 56 CO 0.05 1.12 0.31 0.15 -1.72 0.00 0.00 179.24 179.16 2jfy h PHE 57 N 0.66 1.21 0.00 4.55 3.57 -1.09 -3.18 116.94 122.66 2jfy h PHE 57 Ca 0.06 -0.09 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 2jfy h PHE 57 Cb 0.93 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2jfy h PHE 57 CO 0.05 0.92 -0.69 0.74 -2.23 0.00 0.00 178.31 177.09 2jfy h PHE 58 N 1.16 0.00 -0.73 0.41 -1.00 -1.32 -3.37 116.94 112.09 2jfy h PHE 58 Ca 0.26 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.19 2jfy h PHE 58 Cb 0.22 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.64 2jfy h PHE 58 CO 0.02 0.69 -0.22 -0.22 -1.61 0.00 0.00 178.31 176.97 2jfy h LYS 59 N 0.00 -0.03 0.00 1.51 1.63 -1.32 0.67 116.57 119.03 2jfy h LYS 59 Ca -0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2jfy h LYS 59 Cb 1.52 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.16 2jfy h LYS 59 CO 0.09 -0.02 -0.06 -1.35 -3.45 0.00 0.00 179.45 174.66 2jfy h PRO 60 N -0.03 0.00 0.00 1.90 0.11 -1.75 -2.45 132.00 129.78 2jfy h PRO 60 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2jfy h PRO 60 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2jfy h PRO 60 CO -0.76 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 177.81 2jfy n HIS 61 N -4.42 0.00 -3.81 0.65 8.25 0.22 -4.94 115.22 111.17 2jfy n HIS 61 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.07 2jfy n HIS 61 Cb 0.14 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.22 -0.89 -2.76 -0.41 1.02 -0.92 -4.97 120.64 110.49 2jfy n GLU 62 Ca 0.14 0.35 -0.29 0.00 -0.02 0.00 0.00 57.16 57.34 2jfy n GLU 62 Cb 0.18 -3.55 -0.02 0.00 -0.02 0.00 0.00 31.44 28.04 2jfy n GLU 62 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2jfy s ILE 63 N -3.46 4.86 -0.13 -3.67 -4.36 -1.26 -4.97 121.20 108.21 2jfy s ILE 63 Ca 0.47 0.37 0.22 0.00 -0.26 0.00 0.00 60.65 61.45 2jfy s ILE 63 Cb -0.20 -3.80 -0.25 0.00 1.25 0.00 0.00 42.46 39.46 2jfy s ILE 63 CO 0.90 -0.69 0.65 -0.62 0.24 0.00 0.00 174.94 175.42 2jfy n GLU 64 N -1.79 0.61 -3.72 0.37 1.02 0.51 -4.94 120.64 112.71 2jfy n GLU 64 Ca 0.01 -0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 2jfy n GLU 64 Cb 0.55 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 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 -4.64 0.26 -0.18 -4.62 2.96 -1.25 -4.15 118.68 107.06 2jfy s LEU 65 Ca -0.05 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2jfy s LEU 65 Cb 0.13 1.55 0.00 0.00 0.50 0.00 0.00 46.19 48.38 2jfy s LEU 65 CO 0.88 -0.16 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.38 2jfy s LEU 66 N 0.27 2.45 -0.25 -0.68 2.96 -0.60 -1.28 118.68 121.56 2jfy s LEU 66 Ca -0.00 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 2jfy s LEU 66 Cb -0.03 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2jfy s LEU 66 CO 0.00 0.03 0.36 -0.63 -1.32 0.00 0.00 176.35 174.79 2jfy s ILE 67 N 1.13 5.20 -0.71 6.68 1.01 0.54 -1.20 121.20 133.85 2jfy s ILE 67 Ca 0.01 0.57 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 2jfy s ILE 67 Cb -0.14 -3.69 0.13 0.00 0.01 0.00 0.00 42.46 38.77 2jfy s ILE 67 CO -0.05 0.20 0.81 -0.69 0.00 0.00 0.00 174.94 175.22 2jfy s VAL 68 N 1.74 4.93 0.20 2.92 1.01 0.62 -0.48 120.40 131.34 2jfy s VAL 68 Ca 0.15 -1.36 0.20 0.00 0.00 0.00 0.00 61.98 60.98 2jfy s VAL 68 Cb -0.15 -4.55 0.17 0.00 0.00 0.00 0.00 36.38 31.85 2jfy s VAL 68 CO 0.09 -1.20 1.80 0.00 0.00 0.00 0.00 175.10 175.79 2jfy h ALA 69 N 8.87 1.06 -2.26 5.51 0.00 -1.26 -3.18 119.26 128.00 2jfy h ALA 69 Ca -0.13 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 53.94 2jfy h ALA 69 Cb 1.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2jfy h ALA 69 CO 1.04 0.39 0.90 0.00 0.00 0.00 0.00 179.25 181.58 2jfy h ASN 71 N 8.28 0.27 0.03 0.00 4.21 -1.86 0.06 115.58 126.57 2jfy h ASN 71 Ca -0.34 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.08 2jfy h ASN 71 Cb 1.15 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 2jfy h ASN 71 CO 0.93 0.57 -0.01 0.74 -1.29 0.00 0.00 177.43 178.38 2jfy h THR 72 N 0.24 1.32 -0.67 2.81 2.02 -1.90 -0.44 112.91 116.28 2jfy h THR 72 Ca 0.03 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2jfy h THR 72 Cb 0.67 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 2jfy h THR 72 CO 0.05 0.28 0.39 0.00 0.37 0.00 0.00 175.52 176.61 2jfy h ALA 73 N 0.43 1.43 -0.45 6.16 0.00 -1.93 -1.11 119.26 123.78 2jfy h ALA 73 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jfy h ALA 73 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jfy h ALA 73 CO 0.01 0.48 0.14 0.77 0.00 0.00 0.00 179.25 180.65 2jfy h SER 74 N 0.92 0.67 -0.52 0.00 0.02 -0.88 0.54 113.55 114.29 2jfy h SER 74 Ca 0.24 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2jfy h SER 74 Cb -0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2jfy h SER 74 CO -0.04 0.70 -0.15 0.00 -1.14 0.00 0.00 176.83 176.20 2jfy h ALA 75 N 0.99 0.73 0.02 3.77 0.00 -0.46 -3.26 119.26 121.04 2jfy h ALA 75 Ca 0.15 -0.37 -0.37 0.00 0.00 0.00 0.00 54.91 54.31 2jfy h ALA 75 Cb 0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2jfy h ALA 75 CO -0.00 0.68 -2.34 1.28 0.00 0.00 0.00 179.25 178.87 2jfy n LEU 76 N -4.13 1.96 -0.16 0.00 7.99 -0.48 -4.76 117.00 117.43 2jfy n LEU 76 Ca 0.01 -0.02 0.04 0.00 -0.01 0.00 0.00 56.01 56.03 2jfy n LEU 76 Cb 0.43 -0.47 -0.01 0.00 -0.11 0.00 0.00 43.42 43.26 2jfy n LEU 76 CO 0.46 0.77 0.16 0.00 -1.51 0.00 0.00 177.39 177.27 2jfy n ALA 77 N -3.03 2.77 -0.26 -1.18 0.00 0.16 -4.73 120.51 114.24 2jfy n ALA 77 Ca -0.38 -0.38 0.05 0.00 0.00 0.00 0.00 53.44 52.73 2jfy n ALA 77 Cb 1.05 -0.29 0.19 0.00 0.00 0.00 0.00 19.45 20.40 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 0.77 0.30 -0.07 0.00 5.85 -1.54 -0.82 115.31 119.80 2jfy h LEU 78 Ca 0.00 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jfy h LEU 78 Cb 0.26 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2jfy h LEU 78 CO 0.00 0.11 0.03 -0.08 -0.34 0.00 0.00 178.44 178.17 2jfy h GLU 79 N 0.46 0.11 -0.52 1.25 4.81 -1.85 -0.97 114.58 117.87 2jfy h GLU 79 Ca 0.42 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 2jfy h GLU 79 Cb 0.63 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2jfy h GLU 79 CO -0.40 0.20 0.30 0.93 -0.73 0.00 0.00 179.01 179.32 2jfy h GLU 80 N -0.02 0.72 -0.49 1.92 4.39 -1.78 -2.40 114.58 116.92 2jfy h GLU 80 Ca 0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jfy h GLU 80 Cb 0.13 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2jfy h GLU 80 CO -0.00 0.54 0.31 0.52 -1.16 0.00 0.00 179.01 179.21 2jfy h MET 81 N 0.70 0.65 0.00 2.33 2.86 -1.04 -2.54 114.93 117.90 2jfy h MET 81 Ca 0.19 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2jfy h MET 81 Cb 0.01 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 2jfy h MET 81 CO -0.03 0.46 -0.16 1.96 1.06 0.00 0.00 176.91 180.20 2jfy h GLN 82 N 0.65 0.00 -0.23 1.72 4.20 -0.98 -2.95 115.11 117.52 2jfy h GLN 82 Ca 0.18 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 2jfy h GLN 82 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2jfy h GLN 82 CO -0.04 0.16 -0.51 -0.22 -0.67 0.00 0.00 178.83 177.55 2jfy h LYS 83 N 0.00 0.75 -0.93 1.46 3.64 -1.01 -3.27 116.57 117.21 2jfy h LYS 83 Ca -0.00 -0.50 -0.50 0.00 -1.27 0.00 0.00 60.65 58.37 2jfy h LYS 83 Cb 0.39 0.07 -0.29 0.00 -0.41 0.00 0.00 32.23 31.99 2jfy h LYS 83 CO 0.02 1.12 0.59 0.66 -2.27 0.00 0.00 179.45 179.58 2jfy n TYR 84 N -4.11 2.88 -4.07 1.91 4.02 -1.11 -4.93 117.16 111.76 2jfy n TYR 84 Ca -0.05 -1.97 -0.15 0.00 -0.01 0.00 0.00 57.90 55.71 2jfy n TYR 84 Cb 0.60 -0.96 -0.14 0.00 -0.02 0.00 0.00 39.34 38.82 2jfy n TYR 84 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2jfy s SER 85 N -1.52 0.43 0.11 7.72 0.15 -1.16 -5.03 113.70 114.40 2jfy s SER 85 Ca 0.57 -0.07 0.24 0.00 0.70 0.00 0.00 55.95 57.39 2jfy s SER 85 Cb 0.48 -0.05 0.31 0.00 -1.71 0.00 0.00 66.02 65.04 2jfy s SER 85 CO 0.08 0.04 1.29 0.29 1.20 0.00 0.00 173.24 176.14 2jfy n LYS 86 N 3.01 0.30 -3.93 5.44 5.02 -1.26 -4.88 118.16 121.85 2jfy n LYS 86 Ca -0.13 0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 2jfy n LYS 86 Cb 0.59 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2jfy n LYS 86 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2jfy s ILE 87 N -3.17 5.35 0.33 -0.18 -4.36 -1.26 -5.06 121.20 112.84 2jfy s ILE 87 Ca 0.06 -0.54 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 2jfy s ILE 87 Cb 0.13 -3.68 -0.11 0.00 1.25 0.00 0.00 42.46 40.06 2jfy s ILE 87 CO 0.73 0.03 1.46 -2.16 0.24 0.00 0.00 174.94 175.24 2jfy s PRO 88 N -2.86 4.19 -0.13 0.37 0.04 -1.26 -4.87 135.00 130.48 2jfy s PRO 88 Ca 0.35 2.45 0.02 0.00 0.04 0.00 0.00 61.00 63.85 2jfy s PRO 88 Cb -0.12 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.41 2jfy s PRO 88 CO 0.28 -0.46 -0.17 0.42 0.04 0.00 0.00 177.00 177.11 2jfy s ILE 89 N -0.71 1.72 -0.12 0.56 1.01 -1.26 -1.55 121.20 120.86 2jfy s ILE 89 Ca 0.55 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2jfy s ILE 89 Cb -0.44 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 2jfy s ILE 89 CO 0.54 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 175.08 2jfy s VAL 90 N 1.06 2.40 0.55 2.92 1.01 -0.34 -4.98 120.40 123.01 2jfy s VAL 90 Ca -0.03 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.14 2jfy s VAL 90 Cb -0.14 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.35 2jfy s VAL 90 CO -0.04 0.55 0.76 -0.83 0.00 0.00 0.00 175.10 175.53 2jfy s GLY 91 N 0.40 1.78 -0.09 4.51 0.00 -1.26 -0.28 107.32 112.38 2jfy s GLY 91 Ca -0.15 -2.01 0.19 0.00 0.00 0.00 0.00 44.72 42.74 2jfy s GLY 91 CO 0.07 -1.60 1.59 3.33 0.00 0.00 0.00 173.10 176.49 2jfy n VAL 92 N -2.20 1.62 -0.07 1.40 0.24 -1.20 -4.48 118.33 113.63 2jfy n VAL 92 Ca 0.14 -1.11 -0.06 0.00 -2.04 0.00 0.00 64.34 61.28 2jfy n VAL 92 Cb 0.61 0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.13 2jfy n VAL 92 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jfy n ILE 93 N 1.20 1.43 -0.19 1.34 5.41 -1.26 -4.11 119.36 123.17 2jfy n ILE 93 Ca 0.25 0.20 -0.01 0.00 1.00 0.00 0.00 62.75 64.19 2jfy n ILE 93 Cb 0.82 -2.38 0.10 0.00 -0.71 0.00 0.00 39.64 37.47 2jfy n ILE 93 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2jfy h GLU 94 N -1.00 0.38 -0.55 0.38 4.39 -1.98 -1.05 114.58 115.15 2jfy h GLU 94 Ca -0.01 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2jfy h GLU 94 Cb 0.61 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 2jfy h GLU 94 CO -0.01 0.25 0.37 -1.35 -1.16 0.00 0.00 179.01 177.12 2jfy h PRO 95 N 0.39 0.36 -0.56 2.33 0.11 -1.80 -0.78 132.00 132.06 2jfy h PRO 95 Ca 0.29 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 2jfy h PRO 95 Cb 0.35 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2jfy h PRO 95 CO -0.29 0.24 -0.09 0.77 -0.21 0.00 0.00 178.00 178.42 2jfy h SER 96 N 0.38 1.05 -0.48 -2.05 0.02 -1.35 -1.36 113.55 109.75 2jfy h SER 96 Ca 0.25 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2jfy h SER 96 Cb 0.49 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2jfy h SER 96 CO -0.06 1.15 0.22 0.40 -1.14 0.00 0.00 176.83 177.40 2jfy h ILE 97 N 0.94 1.20 -0.50 3.27 5.03 -0.85 -1.13 117.51 125.47 2jfy h ILE 97 Ca 0.15 -0.57 -0.02 0.00 -0.12 0.00 0.00 64.86 64.30 2jfy h ILE 97 Cb 0.66 0.68 -0.02 0.00 -3.03 0.00 0.00 36.82 35.10 2jfy h ILE 97 CO 0.05 0.22 0.24 -0.07 -0.68 0.00 0.00 178.15 177.91 2jfy h LEU 98 N 0.64 0.63 -0.48 1.44 3.38 -1.05 0.05 115.31 119.92 2jfy h LEU 98 Ca 0.16 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 2jfy h LEU 98 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jfy h LEU 98 CO -0.02 0.54 -0.48 0.00 0.09 0.00 0.00 178.44 178.56 2jfy h ALA 99 N 1.57 0.66 -0.19 1.53 0.00 -0.85 -2.97 119.26 119.01 2jfy h ALA 99 Ca 0.18 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2jfy h ALA 99 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jfy h ALA 99 CO -0.02 0.68 -0.04 0.82 0.00 0.00 0.00 179.25 180.68 2jfy h ILE 100 N 0.55 1.28 -0.91 0.00 2.04 -0.65 -1.24 117.51 118.59 2jfy h ILE 100 Ca 0.03 -1.00 0.24 0.00 1.00 0.00 0.00 64.86 65.12 2jfy h ILE 100 Cb 1.04 1.56 -0.13 0.00 -0.74 0.00 0.00 36.82 38.55 2jfy h ILE 100 CO 0.10 0.30 0.39 0.50 0.00 0.00 0.00 178.15 179.44 2jfy h LYS 101 N 0.08 0.34 0.04 2.37 3.64 -0.97 0.44 116.57 122.51 2jfy h LYS 101 Ca 0.05 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 2jfy h LYS 101 Cb 0.48 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2jfy h LYS 101 CO 0.02 0.22 -1.05 -0.09 -2.27 0.00 0.00 179.45 176.29 2jfy h ARG 102 N 0.35 0.09 0.00 1.90 2.43 -1.35 -3.36 114.38 114.44 2jfy h ARG 102 Ca 0.59 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.53 2jfy h ARG 102 Cb 1.16 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2jfy h ARG 102 CO -0.57 1.05 -1.50 1.04 -1.51 0.00 0.00 179.97 178.48 2jfy n GLN 103 N -3.44 0.63 -3.94 0.20 6.02 -0.31 -4.78 117.38 111.76 2jfy n GLN 103 Ca -0.03 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.69 2jfy n GLN 103 Cb 0.94 -1.71 -0.14 0.00 1.02 0.00 0.00 30.24 30.35 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 -3.22 2.63 0.22 5.09 1.01 0.14 -4.95 120.40 121.32 2jfy s VAL 104 Ca -0.04 -2.62 0.01 0.00 0.00 0.00 0.00 61.98 59.33 2jfy s VAL 104 Cb 0.10 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2jfy s VAL 104 CO 0.83 -0.69 1.54 -0.08 0.00 0.00 0.00 175.10 176.70 2jfy h GLU 105 N 7.33 0.38 -6.52 2.72 4.57 -1.83 -3.42 114.58 117.80 2jfy h GLU 105 Ca -0.06 -0.25 -0.56 0.00 -1.18 0.00 0.00 59.36 57.31 2jfy h GLU 105 Cb 0.98 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.55 2jfy h GLU 105 CO 0.61 0.85 1.06 0.34 -1.18 0.00 0.00 179.01 180.69 2jfy s ASP 106 N -6.91 6.31 0.22 1.04 2.15 -1.26 -4.84 116.67 113.37 2jfy s ASP 106 Ca -0.05 0.62 0.20 0.00 0.43 0.00 0.00 52.55 53.75 2jfy s ASP 106 Cb 0.12 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 41.09 2jfy s ASP 106 CO 0.82 -1.49 1.60 0.29 -0.17 0.00 0.00 175.17 176.21 2jfy n LYS 107 N 8.22 0.14 0.00 4.34 4.76 -1.26 -1.49 118.16 132.86 2jfy n LYS 107 Ca 0.15 0.46 0.12 0.00 -2.87 0.00 0.00 58.31 56.17 2jfy n LYS 107 Cb 0.48 -1.81 0.15 0.00 -1.84 0.00 0.00 35.03 32.02 2jfy n LYS 107 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jfy n ASN 108 N -2.08 1.62 -4.70 4.39 4.05 -1.26 -1.58 115.26 115.71 2jfy n ASN 108 Ca 0.01 -1.26 -0.44 0.00 0.45 0.00 0.00 54.58 53.34 2jfy n ASN 108 Cb 0.15 0.34 -0.03 0.00 1.23 0.00 0.00 39.78 41.47 2jfy n ASN 108 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jfy n ALA 109 N -0.28 1.92 -2.21 5.20 0.00 -0.56 -4.59 120.51 119.99 2jfy n ALA 109 Ca 0.10 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.53 2jfy n ALA 109 Cb 0.42 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 2jfy n ALA 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jfy s PRO 110 N 0.44 4.02 -0.11 0.00 0.04 -1.26 -4.48 135.00 133.64 2jfy s PRO 110 Ca 0.73 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 2jfy s PRO 110 Cb -0.59 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 29.99 2jfy s PRO 110 CO 0.41 -1.01 -0.05 0.42 0.04 0.00 0.00 177.00 176.81 2jfy s ILE 111 N 4.37 3.84 -0.14 0.56 1.01 0.04 -0.20 121.20 130.69 2jfy s ILE 111 Ca 0.65 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2jfy s ILE 111 Cb -0.25 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2jfy s ILE 111 CO 0.25 0.55 -0.16 -0.22 0.00 0.00 0.00 174.94 175.35 2jfy s LEU 112 N -0.23 2.48 -0.24 2.97 2.96 0.78 -0.69 118.68 126.71 2jfy s LEU 112 Ca 0.04 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2jfy s LEU 112 Cb -0.13 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2jfy s LEU 112 CO 0.02 0.12 0.05 -0.69 -1.32 0.00 0.00 176.35 174.53 2jfy s VAL 113 N 0.60 4.20 -0.08 1.68 1.01 0.56 -0.21 120.40 128.16 2jfy s VAL 113 Ca -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2jfy s VAL 113 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2jfy s VAL 113 CO 0.03 0.36 -0.02 -0.76 0.00 0.00 0.00 175.10 174.72 2jfy s LEU 114 N 1.46 3.46 0.00 3.92 1.43 -0.74 -0.51 118.68 127.70 2jfy s LEU 114 Ca 0.05 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 2jfy s LEU 114 Cb -0.15 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.31 2jfy s LEU 114 CO 0.03 0.37 0.35 0.61 0.23 0.00 0.00 176.35 177.94 2jfy n GLY 115 N 2.15 1.03 3.85 -3.19 0.00 -0.98 -0.62 105.19 107.43 2jfy n GLY 115 Ca -0.18 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.38 1.98 0.14 2.61 -4.23 -1.26 -1.48 115.64 111.01 2jfy s THR 116 Ca 0.08 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 2jfy s THR 116 Cb -0.01 -2.89 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 2jfy s THR 116 CO 0.02 0.00 1.73 0.11 -0.54 0.00 0.00 174.62 175.94 2jfy h LYS 117 N -1.41 0.54 -0.67 3.99 1.57 -1.90 -1.58 116.57 117.11 2jfy h LYS 117 Ca -0.47 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 2jfy h LYS 117 Cb 1.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 2jfy h LYS 117 CO 0.57 0.45 0.30 0.00 -0.57 0.00 0.00 179.45 180.21 2jfy h ALA 118 N 1.06 0.86 -0.14 3.86 0.00 -1.47 0.21 119.26 123.63 2jfy h ALA 118 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jfy h ALA 118 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jfy h ALA 118 CO -0.02 0.44 0.07 1.15 0.00 0.00 0.00 179.25 180.89 2jfy h THR 119 N 0.93 1.11 -0.46 0.00 2.02 -1.78 -1.72 112.91 113.01 2jfy h THR 119 Ca 0.23 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2jfy h THR 119 Cb 0.14 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2jfy h THR 119 CO -0.03 0.10 0.11 0.40 0.37 0.00 0.00 175.52 176.47 2jfy h ILE 120 N 0.11 1.24 -0.59 3.11 1.08 -1.09 -2.87 117.51 118.49 2jfy h ILE 120 Ca 0.05 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.75 2jfy h ILE 120 Cb 0.09 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 2jfy h ILE 120 CO -0.01 0.29 0.39 -0.61 -0.69 0.00 0.00 178.15 177.53 2jfy h GLN 121 N 0.61 0.53 0.00 2.37 5.75 -0.44 -1.47 115.11 122.47 2jfy h GLN 121 Ca 0.14 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 2jfy h GLN 121 Cb 0.33 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 2jfy h GLN 121 CO 0.00 0.35 -0.12 0.66 -2.65 0.00 0.00 178.83 177.07 2jfy h SER 122 N 0.55 0.00 -1.31 -0.69 4.64 -1.08 -3.46 113.55 112.20 2jfy h SER 122 Ca 0.26 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.21 2jfy h SER 122 Cb 0.30 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.28 2jfy h SER 122 CO -0.07 0.12 -0.37 0.59 -0.87 0.00 0.00 176.83 176.23 2jfy n ASN 123 N -3.38 -5.19 -0.07 4.97 3.02 -0.55 -4.90 115.26 109.16 2jfy n ASN 123 Ca -0.01 0.32 -0.09 0.00 -0.03 0.00 0.00 54.58 54.78 2jfy n ASN 123 Cb 0.31 -4.27 -0.02 0.00 -0.61 0.00 0.00 39.78 35.19 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 0.22 0.32 -0.45 5.41 0.00 -1.83 -1.36 119.26 121.57 2jfy h ALA 124 Ca -0.38 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2jfy h ALA 124 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jfy h ALA 124 CO 0.53 -0.24 0.03 1.88 0.00 0.00 0.00 179.25 181.45 2jfy h TYR 125 N 0.30 0.83 -0.04 0.00 -1.99 -1.90 -2.11 116.97 112.06 2jfy h TYR 125 Ca 0.10 -0.13 0.03 0.00 2.00 0.00 0.00 58.73 60.72 2jfy h TYR 125 Cb 0.00 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 2jfy h TYR 125 CO -0.08 0.81 -0.15 0.22 -0.00 0.00 0.00 178.16 178.96 2jfy h ASP 126 N 0.62 -0.43 -0.66 3.88 3.58 -1.91 0.32 116.42 121.82 2jfy h ASP 126 Ca 0.13 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 2jfy h ASP 126 Cb 0.45 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2jfy h ASP 126 CO 0.02 -0.20 0.24 0.78 -2.88 0.00 0.00 179.24 177.20 2jfy h ASN 127 N -0.22 0.95 0.09 2.28 2.35 -1.21 -1.52 115.58 118.29 2jfy h ASN 127 Ca 0.06 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.51 2jfy h ASN 127 Cb 0.31 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2jfy h ASN 127 CO -0.17 0.87 -0.53 0.00 -1.65 0.00 0.00 177.43 175.95 2jfy h ALA 128 N 1.26 0.77 -0.25 -0.83 0.00 -1.12 -2.61 119.26 116.50 2jfy h ALA 128 Ca 0.23 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 2jfy h ALA 128 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jfy h ALA 128 CO -0.01 0.68 -0.35 -0.07 0.00 0.00 0.00 179.25 179.50 2jfy h LEU 129 N 0.37 0.73 -0.85 0.00 3.38 -0.67 -3.15 115.31 115.13 2jfy h LEU 129 Ca 0.01 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 2jfy h LEU 129 Cb 1.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2jfy h LEU 129 CO 0.10 1.10 0.18 0.11 0.09 0.00 0.00 178.44 180.02 2jfy h LYS 130 N 0.39 1.04 -0.62 1.13 1.57 -1.30 -2.07 116.57 116.70 2jfy h LYS 130 Ca 0.03 -0.23 0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2jfy h LYS 130 Cb 0.93 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2jfy h LYS 130 CO 0.08 0.91 0.42 -0.56 -0.57 0.00 0.00 179.45 179.73 2jfy h GLN 131 N 1.00 0.46 -0.14 3.15 3.07 -1.45 0.28 115.11 121.47 2jfy h GLN 131 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.93 2jfy h GLN 131 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.78 2jfy h GLN 131 CO -0.00 0.30 0.00 1.04 0.09 0.00 0.00 178.83 180.26 2jfy n GLN 132 N -4.48 1.48 -0.52 0.06 1.13 -0.84 -4.92 117.38 109.30 2jfy n GLN 132 Ca 0.10 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.43 2jfy n GLN 132 Cb 0.35 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.40 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 0.96 0.75 3.74 1.08 0.00 0.98 -5.05 105.19 107.65 2jfy n GLY 133 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2jfy n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jfy s TYR 134 N -2.56 3.57 -0.16 1.61 1.51 -0.87 -4.86 117.35 115.59 2jfy s TYR 134 Ca 0.00 1.60 0.01 0.00 -1.01 0.00 0.00 57.07 57.67 2jfy s TYR 134 Cb 0.00 -3.30 0.01 0.00 -0.11 0.00 0.00 41.96 38.56 2jfy s TYR 134 CO 0.00 -0.66 0.52 1.28 -1.11 0.00 0.00 175.55 175.58 2jfy n LEU 135 N 2.12 1.07 -3.60 -1.29 4.77 -0.61 -4.25 117.00 115.20 2jfy n LEU 135 Ca 0.02 -0.98 -0.27 0.00 -0.03 0.00 0.00 56.01 54.75 2jfy n LEU 135 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2jfy n LEU 135 CO 0.54 0.25 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.54 2jfy n ASN 136 N 0.03 1.90 -4.29 -1.43 2.85 -1.26 -5.03 115.26 108.03 2jfy n ASN 136 Ca 0.01 -2.97 -0.32 0.00 -0.11 0.00 0.00 54.58 51.19 2jfy n ASN 136 Cb 0.03 -0.67 -0.16 0.00 1.24 0.00 0.00 39.78 40.22 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 -1.21 2.22 0.07 -1.44 1.01 -1.26 -0.78 121.20 119.81 2jfy s ILE 137 Ca 0.31 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 60.04 2jfy s ILE 137 Cb 0.04 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2jfy s ILE 137 CO -0.14 0.57 -0.24 -0.44 0.00 0.00 0.00 174.94 174.68 2jfy s SER 138 N -0.18 2.94 -0.05 3.58 0.01 0.13 -4.98 113.70 115.16 2jfy s SER 138 Ca -0.03 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 56.65 2jfy s SER 138 Cb -0.14 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2jfy s SER 138 CO 0.04 0.19 -0.16 -1.00 0.41 0.00 0.00 173.24 172.71 2jfy s HIS 139 N -0.92 1.67 -0.05 2.43 3.76 -1.26 -0.32 115.29 120.61 2jfy s HIS 139 Ca 0.10 -0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 2jfy s HIS 139 Cb -0.10 -1.13 0.03 0.00 1.11 0.00 0.00 32.58 32.49 2jfy s HIS 139 CO 0.03 -0.18 0.03 -1.17 -0.85 0.00 0.00 174.74 172.61 2jfy s LEU 140 N 0.10 0.54 -0.48 0.89 2.96 0.33 -4.94 118.68 118.07 2jfy s LEU 140 Ca -0.05 0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 53.62 2jfy s LEU 140 Cb -0.12 -0.24 0.03 0.00 0.50 0.00 0.00 46.19 46.36 2jfy s LEU 140 CO 0.02 -0.20 0.90 0.00 -1.32 0.00 0.00 176.35 175.76 2jfy s ALA 141 N 1.81 3.23 -0.85 5.97 0.00 -1.26 -2.31 121.76 128.35 2jfy s ALA 141 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2jfy s ALA 141 Cb -0.12 -3.63 0.32 0.00 0.00 0.00 0.00 23.12 19.68 2jfy s ALA 141 CO -0.03 -2.12 1.43 0.25 0.00 0.00 0.00 175.76 175.29 2jfy n THR 142 N 6.32 4.78 -0.21 0.00 -2.24 -0.55 -4.90 114.28 117.48 2jfy n THR 142 Ca 0.04 -5.80 -0.01 0.00 -2.27 0.00 0.00 64.05 56.01 2jfy n THR 142 Cb 0.48 -1.55 0.06 0.00 -2.10 0.00 0.00 70.33 67.23 2jfy n THR 142 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jfy h SER 143 N 3.82 -0.57 0.11 3.42 0.87 -1.92 -2.03 113.55 117.24 2jfy h SER 143 Ca 0.35 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2jfy h SER 143 Cb 0.42 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2jfy h SER 143 CO 1.04 -0.20 0.00 -0.07 -0.53 0.00 0.00 176.83 177.06 2jfy h LEU 144 N 0.00 0.00 -1.01 2.23 3.38 -1.97 -2.47 115.31 115.47 2jfy h LEU 144 Ca 0.30 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.30 2jfy h LEU 144 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2jfy h LEU 144 CO -0.64 0.00 0.66 -0.26 0.09 0.00 0.00 178.44 178.29 2jfy h PHE 145 N 0.00 1.25 0.60 1.13 0.05 -1.78 -2.23 116.94 115.96 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 0.06 -0.42 -0.01 0.00 2.00 0.00 0.00 35.95 37.58 2jfy h PHE 145 CO 0.00 0.76 -0.41 0.28 -0.18 0.00 0.00 178.31 178.75 2jfy h VAL 146 N 1.32 0.00 -0.53 -0.55 2.07 -1.62 -0.85 116.25 116.09 2jfy h VAL 146 Ca 0.38 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.90 2jfy h VAL 146 Cb -0.08 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 2jfy h VAL 146 CO -0.10 0.00 0.32 1.55 0.02 0.00 0.00 177.57 179.36 2jfy h PRO 147 N -0.96 0.71 -0.22 1.57 0.13 -1.72 -1.23 132.00 130.28 2jfy h PRO 147 Ca -0.08 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2jfy h PRO 147 Cb 0.79 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 2jfy h PRO 147 CO 0.05 0.50 0.06 -0.07 -0.23 0.00 0.00 178.00 178.31 2jfy h LEU 148 N 0.73 0.05 -0.85 1.56 3.38 -1.24 -1.72 115.31 117.22 2jfy h LEU 148 Ca 0.19 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2jfy h LEU 148 Cb -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2jfy h LEU 148 CO -0.04 0.06 0.23 0.40 0.09 0.00 0.00 178.44 179.18 2jfy h ILE 149 N 0.16 1.25 0.00 1.22 2.04 -0.67 0.27 117.51 121.78 2jfy h ILE 149 Ca 0.10 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2jfy h ILE 149 Cb 0.08 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2jfy h ILE 149 CO -0.12 0.34 -0.06 -0.33 0.00 0.00 0.00 178.15 177.98 2jfy h GLU 150 N 1.04 0.00 -0.11 2.37 5.08 -0.84 -0.48 114.58 121.64 2jfy h GLU 150 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2jfy h GLU 150 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2jfy h GLU 150 CO -0.01 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.45 2jfy n GLU 151 N -3.21 1.90 -2.94 2.33 -0.58 -0.68 -4.93 120.64 112.53 2jfy n GLU 151 Ca 0.00 -1.32 -0.17 0.00 -0.42 0.00 0.00 57.16 55.25 2jfy n GLU 151 Cb 0.31 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.58 -4.97 -4.45 1.62 2.88 -0.19 -4.93 113.62 104.16 2jfy n SER 152 Ca 0.17 -0.26 -0.44 0.00 -1.33 0.00 0.00 58.87 57.01 2jfy n SER 152 Cb 0.42 -3.76 -0.00 0.00 -0.75 0.00 0.00 64.21 60.12 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 -3.06 5.09 -1.12 2.46 -1.09 0.03 -4.72 121.20 118.78 2jfy s ILE 153 Ca 0.28 -2.57 0.16 0.00 -2.23 0.00 0.00 60.65 56.29 2jfy s ILE 153 Cb -0.12 -4.86 0.50 0.00 -1.58 0.00 0.00 42.46 36.40 2jfy s ILE 153 CO 0.34 -1.56 1.42 0.18 -1.23 0.00 0.00 174.94 174.09 2jfy n LEU 154 N 5.48 3.66 0.00 2.97 4.77 -1.26 -4.52 117.00 128.10 2jfy n LEU 154 Ca 0.34 -2.21 -0.05 0.00 -0.03 0.00 0.00 56.01 54.05 2jfy n LEU 154 Cb 0.43 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2jfy n LEU 154 CO 0.59 0.80 0.54 -1.84 -1.33 0.00 0.00 177.39 176.15 2jfy n GLU 155 N 0.78 0.78 0.00 3.23 0.00 -1.26 -4.96 120.64 119.21 2jfy n GLU 155 Ca 0.19 -1.59 0.00 0.00 0.00 0.00 0.00 57.16 55.75 2jfy n GLU 155 Cb 0.62 2.04 0.00 0.00 0.00 0.00 0.00 31.44 34.11 2jfy n GLU 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jfy n GLY 156 N -0.51 -0.97 0.35 -1.84 0.00 -1.26 -4.13 105.19 96.84 2jfy n GLY 156 Ca -0.05 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 2jfy n GLY 156 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jfy h GLU 157 N 0.00 1.08 -0.45 1.61 4.39 -2.02 -2.58 114.58 116.61 2jfy h GLU 157 Ca 0.00 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2jfy h GLU 157 Cb 0.00 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 2jfy h GLU 157 CO 0.00 0.74 0.25 1.25 -1.16 0.00 0.00 179.01 180.09 2jfy h LEU 158 N 1.11 0.55 -0.25 1.33 5.85 -1.99 0.81 115.31 122.71 2jfy h LEU 158 Ca 0.29 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2jfy h LEU 158 Cb -0.09 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2jfy h LEU 158 CO -0.06 0.47 0.01 0.25 -0.34 0.00 0.00 178.44 178.78 2jfy h LEU 159 N 0.59 0.43 -0.32 2.25 5.85 -1.68 -0.79 115.31 121.63 2jfy h LEU 159 Ca 0.16 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2jfy h LEU 159 Cb 0.04 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2jfy h LEU 159 CO -0.03 0.62 0.09 -0.08 -0.34 0.00 0.00 178.44 178.70 2jfy h GLU 160 N 0.22 0.20 -0.74 1.25 4.57 -1.28 0.67 114.58 119.48 2jfy h GLU 160 Ca 0.07 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2jfy h GLU 160 Cb 0.39 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2jfy h GLU 160 CO 0.01 0.14 0.29 1.15 -1.18 0.00 0.00 179.01 179.42 2jfy h THR 161 N 0.21 1.25 -0.50 0.32 2.02 -0.77 0.11 112.91 115.56 2jfy h THR 161 Ca 0.15 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 2jfy h THR 161 Cb 0.14 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2jfy h THR 161 CO -0.17 0.32 -0.06 0.00 0.37 0.00 0.00 175.52 175.98 2jfy h MET 163 N 0.78 0.60 -0.66 0.00 2.07 -0.45 -2.64 114.93 114.64 2jfy h MET 163 Ca 0.13 -0.10 -0.02 0.00 -2.07 0.00 0.00 59.70 57.64 2jfy h MET 163 Cb 0.60 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 2jfy h MET 163 CO 0.04 0.55 0.32 1.25 1.07 0.00 0.00 176.91 180.13 2jfy h HIS 164 N 0.52 0.92 -0.75 -0.22 6.17 -0.54 0.25 115.15 121.50 2jfy h HIS 164 Ca 0.14 -0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.21 2jfy h HIS 164 Cb 0.16 -0.29 -0.04 0.00 2.52 0.00 0.00 27.41 29.75 2jfy h HIS 164 CO -0.01 0.67 0.48 -0.92 0.71 0.00 0.00 177.93 178.86 2jfy h TYR 165 N 0.93 0.90 0.20 5.26 3.20 -0.57 -1.53 116.97 125.36 2jfy h TYR 165 Ca 0.23 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.78 2jfy h TYR 165 Cb 0.09 -0.30 0.02 0.00 1.54 0.00 0.00 36.73 38.08 2jfy h TYR 165 CO 0.01 0.52 -1.60 1.88 -1.64 0.00 0.00 178.16 177.33 2jfy h TYR 166 N 0.94 0.78 0.09 -3.82 0.99 -1.11 -3.40 116.97 111.44 2jfy h TYR 166 Ca 0.30 -0.57 -0.26 0.00 2.00 0.00 0.00 58.73 60.19 2jfy h TYR 166 Cb -0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.69 2jfy h TYR 166 CO -0.03 1.58 -1.24 0.74 -0.00 0.00 0.00 178.16 179.21 2jfy h PHE 167 N 0.12 0.35 -0.72 4.88 0.05 -0.94 -3.37 116.94 117.30 2jfy h PHE 167 Ca -0.29 -0.25 0.13 0.00 3.82 0.00 0.00 57.97 61.38 2jfy h PHE 167 Cb 2.11 -0.01 -0.05 0.00 2.00 0.00 0.00 35.95 40.00 2jfy h PHE 167 CO 0.11 1.22 0.48 0.00 -0.18 0.00 0.00 178.31 179.93 2jfy h THR 168 N 0.05 0.83 0.00 -1.55 1.03 -1.49 -1.45 112.91 110.33 2jfy h THR 168 Ca -0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 2jfy h THR 168 Cb 1.93 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2jfy h THR 168 CO 0.17 0.08 0.00 -2.65 -0.01 0.00 0.00 175.52 173.11 2jfy n PRO 169 N -4.48 0.21 -1.67 0.00 -0.02 -1.26 -4.82 135.00 122.96 2jfy n PRO 169 Ca 0.13 0.37 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 2jfy n PRO 169 Cb 0.48 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.07 0.12 2.45 4.77 -0.55 -4.90 117.00 119.74 2jfy n LEU 170 Ca 0.03 1.12 0.10 0.00 -0.03 0.00 0.00 56.01 57.23 2jfy n LEU 170 Cb 0.28 -1.42 0.03 0.00 -2.33 0.00 0.00 43.42 39.98 2jfy n LEU 170 CO 0.22 -0.41 0.17 -0.33 -1.33 0.00 0.00 177.39 175.71 2jfy h GLU 171 N 4.94 0.00 -5.31 3.23 5.08 -1.89 -3.46 114.58 117.17 2jfy h GLU 171 Ca -0.45 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.42 2jfy h GLU 171 Cb 1.27 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.22 2jfy h GLU 171 CO 0.81 0.04 -0.81 -1.50 -1.00 0.00 0.00 179.01 176.55 2jfy s ILE 172 N -3.28 1.14 -0.34 3.13 2.07 -1.26 -5.10 121.20 117.56 2jfy s ILE 172 Ca 0.01 -0.61 -0.29 0.00 -1.41 0.00 0.00 60.65 58.35 2jfy s ILE 172 Cb 0.08 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 41.73 2jfy s ILE 172 CO 0.77 0.32 1.27 -0.22 -1.91 0.00 0.00 174.94 175.17 2jfy s LEU 173 N -0.31 3.82 0.56 8.50 2.96 -1.26 -5.00 118.68 127.95 2jfy s LEU 173 Ca 0.05 1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 54.83 2jfy s LEU 173 Cb -0.06 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2jfy s LEU 173 CO -0.00 -1.12 1.15 -2.16 -1.32 0.00 0.00 176.35 172.89 2jfy s PRO 174 N 4.24 3.23 -0.12 0.98 0.04 -1.26 -4.85 135.00 137.27 2jfy s PRO 174 Ca 0.55 1.67 0.17 0.00 0.04 0.00 0.00 61.00 63.43 2jfy s PRO 174 Cb -0.15 -1.98 -0.26 0.00 0.04 0.00 0.00 34.50 32.16 2jfy s PRO 174 CO 0.24 -0.96 0.21 0.39 0.04 0.00 0.00 177.00 176.92 2jfy n GLU 175 N -1.41 0.86 -4.36 4.56 1.02 0.72 -4.72 120.64 117.32 2jfy n GLU 175 Ca 0.12 -0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.97 2jfy n GLU 175 Cb 0.51 -1.46 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 2jfy n GLU 175 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jfy s VAL 176 N -2.81 0.79 -0.19 2.62 1.01 -0.91 -0.92 120.40 120.00 2jfy s VAL 176 Ca -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2jfy s VAL 176 Cb 0.08 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.74 2jfy s VAL 176 CO 0.77 0.28 -0.13 -0.63 0.00 0.00 0.00 175.10 175.38 2jfy s ILE 177 N 0.74 1.75 -0.27 2.22 1.01 0.13 -0.15 121.20 126.64 2jfy s ILE 177 Ca -0.12 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.35 2jfy s ILE 177 Cb -0.15 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 2jfy s ILE 177 CO 0.02 0.30 0.75 -0.63 0.00 0.00 0.00 174.94 175.38 2jfy s ILE 178 N 1.37 4.87 -1.32 2.92 1.01 0.70 -0.51 121.20 130.25 2jfy s ILE 178 Ca 0.01 1.29 -0.15 0.00 0.00 0.00 0.00 60.65 61.80 2jfy s ILE 178 Cb -0.15 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.35 2jfy s ILE 178 CO -0.10 -0.10 1.81 0.18 0.00 0.00 0.00 174.94 176.74 2jfy n LEU 179 N 5.97 5.60 -1.67 2.97 4.77 -0.52 -1.79 117.00 132.33 2jfy n LEU 179 Ca 0.03 -4.14 -0.04 0.00 -0.03 0.00 0.00 56.01 51.83 2jfy n LEU 179 Cb 0.48 -1.68 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 2jfy n LEU 179 CO 0.47 0.59 1.17 0.61 -1.33 0.00 0.00 177.39 178.90 2jfy n GLY 180 N 4.62 2.60 3.57 -0.72 0.00 0.21 -4.16 105.19 111.30 2jfy n GLY 180 Ca 0.47 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.88 0.00 0.00 1.35 -1.85 -3.08 112.91 114.03 2jfy h THR 182 Ca -0.28 -0.15 -0.18 0.00 -0.55 0.00 0.00 66.41 65.25 2jfy h THR 182 Cb 1.16 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2jfy h THR 182 CO 0.15 0.08 -0.83 0.45 -0.25 0.00 0.00 175.52 175.13 2jfy h HIS 183 N 0.43 0.10 -0.23 4.73 3.86 -1.96 -3.38 115.15 118.70 2jfy h HIS 183 Ca 0.30 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.52 2jfy h HIS 183 Cb 0.59 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 2jfy h HIS 183 CO -0.00 0.86 0.17 0.74 0.86 0.00 0.00 177.93 180.56 2jfy h PHE 184 N 0.04 0.00 -0.56 2.45 0.05 -1.89 -2.15 116.94 114.88 2jfy h PHE 184 Ca -0.02 0.00 0.16 0.00 3.82 0.00 0.00 57.97 61.93 2jfy h PHE 184 Cb 1.45 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.38 2jfy h PHE 184 CO 0.01 0.00 0.41 -1.35 -0.18 0.00 0.00 178.31 177.19 2jfy h PRO 185 N 0.00 0.00 0.00 1.51 0.11 -1.79 0.48 132.00 132.31 2jfy h PRO 185 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2jfy h PRO 185 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2jfy h PRO 185 CO -0.00 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.72 2jfy h LEU 186 N 0.00 0.00 -2.87 2.35 4.07 -1.70 -2.35 115.31 114.81 2jfy h LEU 186 Ca 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 2jfy h LEU 186 Cb 1.07 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.78 2jfy h LEU 186 CO -0.00 0.00 -0.28 2.30 -1.08 0.00 0.00 178.44 179.38 2jfy n ILE 187 N -2.63 1.61 -0.21 1.22 -5.35 0.11 -4.81 119.36 109.30 2jfy n ILE 187 Ca 0.00 -2.17 -0.06 0.00 -0.27 0.00 0.00 62.75 60.25 2jfy n ILE 187 Cb 0.19 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.07 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 0.36 0.76 -0.51 -1.28 0.00 -0.87 -0.78 119.26 116.94 2jfy h ALA 188 Ca -0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2jfy h ALA 188 Cb 1.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jfy h ALA 188 CO 0.01 0.23 -0.02 0.37 0.00 0.00 0.00 179.25 179.84 2jfy h GLN 189 N 0.80 0.87 -0.37 0.00 4.15 -1.87 -1.48 115.11 117.20 2jfy h GLN 189 Ca 0.21 -0.25 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 2jfy h GLN 189 Cb -0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2jfy h GLN 189 CO -0.04 0.88 -0.18 0.87 -1.93 0.00 0.00 178.83 178.43 2jfy h LYS 190 N 0.80 0.70 -0.31 1.69 1.79 -1.81 0.44 116.57 119.87 2jfy h LYS 190 Ca 0.15 -0.25 -0.18 0.00 -2.18 0.00 0.00 60.65 58.19 2jfy h LYS 190 Cb 0.50 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2jfy h LYS 190 CO 0.03 0.83 -0.51 0.82 -1.08 0.00 0.00 179.45 179.54 2jfy h ILE 191 N 0.62 1.27 -0.50 1.86 2.04 -0.90 -0.60 117.51 121.30 2jfy h ILE 191 Ca 0.10 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 2jfy h ILE 191 Cb 0.65 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2jfy h ILE 191 CO 0.05 0.56 0.20 -0.33 0.00 0.00 0.00 178.15 178.62 2jfy h GLU 192 N 0.70 0.75 -0.57 2.37 5.08 -1.05 -2.46 114.58 119.40 2jfy h GLU 192 Ca 0.03 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2jfy h GLU 192 Cb 1.12 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2jfy h GLU 192 CO 0.12 0.66 0.23 0.78 -1.00 0.00 0.00 179.01 179.80 2jfy h GLY 193 N 0.67 0.88 0.86 -3.84 0.00 -0.77 -1.43 103.07 99.44 2jfy h GLY 193 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2jfy h GLY 193 CO -0.01 0.42 -0.24 -1.82 0.00 0.00 0.00 176.54 174.88 2jfy h TYR 194 N 0.81 -0.63 -0.23 5.60 3.20 -0.65 0.33 116.97 125.39 2jfy h TYR 194 Ca 0.19 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 2jfy h TYR 194 Cb 0.16 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2jfy h TYR 194 CO 0.01 -0.37 -0.31 0.74 -1.64 0.00 0.00 178.16 176.59 2jfy h PHE 195 N -0.59 0.55 -0.47 -3.82 -1.00 -1.29 0.12 116.94 110.45 2jfy h PHE 195 Ca -0.03 -0.13 -0.14 0.00 2.81 0.00 0.00 57.97 60.47 2jfy h PHE 195 Cb 0.49 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2jfy h PHE 195 CO -0.11 0.74 -0.25 0.52 -1.61 0.00 0.00 178.31 177.61 2jfy h MET 196 N 0.41 1.00 0.09 1.51 2.86 -1.18 -1.80 114.93 117.82 2jfy h MET 196 Ca 0.05 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 2jfy h MET 196 Cb 0.75 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2jfy h MET 196 CO 0.06 1.12 -0.04 0.78 1.06 0.00 0.00 176.91 179.89 2jfy h GLY 197 N 0.85 -0.12 2.00 8.32 0.00 -0.76 -0.88 103.07 112.48 2jfy h GLY 197 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2jfy h GLY 197 CO 0.07 -0.04 -0.13 0.45 0.00 0.00 0.00 176.54 176.89 2jfy h HIS 198 N -0.71 0.00 0.00 5.60 -0.00 -0.82 -3.18 115.15 116.05 2jfy h HIS 198 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2jfy h HIS 198 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 2jfy h HIS 198 CO 0.11 0.13 -0.00 1.19 -0.00 0.00 0.00 177.93 179.35 2jfy n PHE 199 N -3.33 0.00 -4.03 2.45 3.01 -0.68 -5.01 117.46 109.86 2jfy n PHE 199 Ca -0.00 -0.90 -0.29 0.00 1.01 0.00 0.00 57.45 57.27 2jfy n PHE 199 Cb 0.34 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 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 -1.25 -2.10 -2.61 4.37 0.00 -0.68 -4.95 120.51 113.28 2jfy n ALA 200 Ca 0.13 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 2jfy n ALA 200 Cb 0.57 -1.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 -7.06 4.45 0.45 0.00 1.43 -0.42 -4.99 118.68 112.54 2jfy s LEU 201 Ca 0.07 0.82 0.25 0.00 -1.03 0.00 0.00 54.13 54.24 2jfy s LEU 201 Cb -0.03 -2.47 0.56 0.00 0.03 0.00 0.00 46.19 44.28 2jfy s LEU 201 CO 0.92 0.34 1.69 1.55 0.23 0.00 0.00 176.35 181.08 2jfy h PRO 202 N 4.71 0.00 -3.77 1.29 0.13 -1.92 -3.45 132.00 128.99 2jfy h PRO 202 Ca -0.52 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.43 2jfy h PRO 202 Cb 1.22 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 2jfy h PRO 202 CO 0.61 0.04 -0.64 -0.08 -0.23 0.00 0.00 178.00 177.70 2jfy s THR 203 N -3.31 0.07 0.60 1.56 -1.32 -1.26 -5.16 115.64 106.83 2jfy s THR 203 Ca 0.05 -0.61 -0.10 0.00 -1.21 0.00 0.00 61.69 59.82 2jfy s THR 203 Cb 0.06 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 2jfy s THR 203 CO 0.65 -0.34 0.99 -2.16 -2.21 0.00 0.00 174.62 171.55 2jfy s PRO 204 N -1.04 3.50 0.88 7.08 0.04 -1.26 -4.87 135.00 139.33 2jfy s PRO 204 Ca -0.11 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 2jfy s PRO 204 Cb -0.07 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.46 2jfy s PRO 204 CO -0.00 -0.55 1.15 -2.14 0.04 0.00 0.00 177.00 175.50 2jfy s PRO 205 N -5.11 1.29 -0.11 0.56 0.02 -1.26 -4.91 135.00 125.47 2jfy s PRO 205 Ca 0.54 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 2jfy s PRO 205 Cb -0.11 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 2jfy s PRO 205 CO 0.52 -2.43 1.10 -1.17 -0.33 0.00 0.00 177.00 174.68 2jfy s LEU 206 N -6.36 4.23 -0.15 -5.54 2.96 -0.10 -4.85 118.68 108.87 2jfy s LEU 206 Ca 0.67 1.61 -0.08 0.00 -0.22 0.00 0.00 54.13 56.12 2jfy s LEU 206 Cb -0.23 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2jfy s LEU 206 CO 0.56 -0.55 0.12 -0.76 -1.32 0.00 0.00 176.35 174.41 2jfy s LEU 207 N 2.38 4.25 -0.27 -0.68 1.43 -1.26 0.22 118.68 124.76 2jfy s LEU 207 Ca 0.51 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.83 2jfy s LEU 207 Cb -0.20 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2jfy s LEU 207 CO 0.17 0.32 0.27 -0.63 0.23 0.00 0.00 176.35 176.71 2jfy s ILE 208 N -0.47 5.25 -0.28 -0.59 -1.09 0.34 -4.94 121.20 119.43 2jfy s ILE 208 Ca 0.12 0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 58.73 2jfy s ILE 208 Cb -0.12 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 2jfy s ILE 208 CO 0.02 0.22 0.45 -2.28 -1.23 0.00 0.00 174.94 172.11 2jfy s HIS 209 N 1.81 3.25 0.21 3.97 2.46 -1.26 -1.43 115.29 124.30 2jfy s HIS 209 Ca 0.11 0.47 -0.09 0.00 0.47 0.00 0.00 55.06 56.02 2jfy s HIS 209 Cb -0.16 -2.68 0.28 0.00 -0.13 0.00 0.00 32.58 29.90 2jfy s HIS 209 CO 0.10 -0.29 1.77 0.77 -2.47 0.00 0.00 174.74 174.62 2jfy h SER 210 N 8.15 0.37 -0.27 9.88 0.02 -1.91 -1.54 113.55 128.24 2jfy h SER 210 Ca -0.30 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2jfy h SER 210 Cb 1.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2jfy h SER 210 CO 0.69 0.22 0.12 1.23 -1.14 0.00 0.00 176.83 177.95 2jfy h GLY 211 N 0.52 0.42 1.62 -3.77 0.00 -1.92 -1.88 103.07 98.06 2jfy h GLY 211 Ca 0.32 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2jfy h GLY 211 CO -0.26 0.20 -0.20 -0.55 0.00 0.00 0.00 176.54 175.73 2jfy h ASP 212 N 0.29 0.45 -0.35 0.19 3.32 -1.85 -1.84 116.42 116.64 2jfy h ASP 212 Ca 0.09 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2jfy h ASP 212 Cb 0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2jfy h ASP 212 CO -0.01 0.66 0.04 0.00 -1.72 0.00 0.00 179.24 178.22 2jfy h ALA 213 N 1.38 0.47 -0.09 3.45 0.00 -1.07 -1.03 119.26 122.38 2jfy h ALA 213 Ca 0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2jfy h ALA 213 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jfy h ALA 213 CO 0.04 0.19 -0.64 0.97 0.00 0.00 0.00 179.25 179.80 2jfy h ILE 214 N 0.42 1.37 -0.54 0.00 2.10 -1.25 -1.68 117.51 117.94 2jfy h ILE 214 Ca 0.11 -2.02 -0.04 0.00 1.08 0.00 0.00 64.86 63.99 2jfy h ILE 214 Cb 0.38 2.01 -0.02 0.00 -1.09 0.00 0.00 36.82 38.10 2jfy h ILE 214 CO 0.01 0.61 0.18 0.58 -1.08 0.00 0.00 178.15 178.45 2jfy h VAL 215 N 0.26 1.23 -0.52 2.19 2.07 -1.21 0.15 116.25 120.41 2jfy h VAL 215 Ca -0.01 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2jfy h VAL 215 Cb 1.18 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2jfy h VAL 215 CO 0.11 0.28 0.21 -0.33 0.02 0.00 0.00 177.57 177.87 2jfy h GLU 216 N 0.74 0.78 -0.33 1.57 5.08 -1.09 0.11 114.58 121.45 2jfy h GLU 216 Ca 0.18 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jfy h GLU 216 Cb 0.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2jfy h GLU 216 CO -0.01 0.68 0.20 -0.92 -1.00 0.00 0.00 179.01 177.96 2jfy h TYR 217 N 0.71 0.44 -0.25 4.33 3.20 -1.01 -2.26 116.97 122.13 2jfy h TYR 217 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2jfy h TYR 217 Cb 0.19 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2jfy h TYR 217 CO 0.01 0.32 0.12 -0.07 -1.64 0.00 0.00 178.16 176.90 2jfy h LEU 218 N 0.42 0.32 -0.89 2.82 4.07 -0.76 0.89 115.31 122.19 2jfy h LEU 218 Ca 0.12 -0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.07 2jfy h LEU 218 Cb 0.02 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.60 2jfy h LEU 218 CO -0.02 0.34 0.53 -0.61 -1.08 0.00 0.00 178.44 177.60 2jfy h GLN 219 N 0.27 0.85 0.10 1.13 4.15 -0.60 -2.11 115.11 118.89 2jfy h GLN 219 Ca 0.09 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.30 2jfy h GLN 219 Cb 0.10 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.61 2jfy h GLN 219 CO -0.01 0.56 -0.70 1.96 -1.93 0.00 0.00 178.83 178.72 2jfy h GLN 220 N 0.88 0.21 -0.98 1.69 4.20 -1.20 -0.08 115.11 119.83 2jfy h GLN 220 Ca 0.43 -0.36 0.09 0.00 0.06 0.00 0.00 58.65 58.88 2jfy h GLN 220 Cb 0.39 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 2jfy h GLN 220 CO -0.25 1.17 0.62 -0.22 -0.67 0.00 0.00 178.83 179.48 2jfy h LYS 221 N -0.54 1.01 -0.49 1.46 3.64 -0.71 -2.26 116.57 118.69 2jfy h LYS 221 Ca -0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2jfy h LYS 221 Cb 1.49 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2jfy h LYS 221 CO 0.09 0.67 0.00 0.66 -2.27 0.00 0.00 179.45 178.60 2jfy n TYR 222 N -4.59 1.06 -4.15 1.91 4.02 -0.81 -4.98 117.16 109.62 2jfy n TYR 222 Ca 0.17 -0.63 -0.39 0.00 -0.01 0.00 0.00 57.90 57.04 2jfy n TYR 222 Cb 0.27 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 0.64 -2.34 -2.42 -0.72 0.00 -0.85 -4.92 120.51 109.90 2jfy n ALA 223 Ca 0.21 -0.49 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 2jfy n ALA 223 Cb 0.75 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -7.37 4.45 0.44 0.00 1.43 -0.09 -5.03 118.68 112.51 2jfy s LEU 224 Ca 0.27 1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 54.39 2jfy s LEU 224 Cb -0.14 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2jfy s LEU 224 CO 0.97 0.26 0.70 -0.54 0.23 0.00 0.00 176.35 177.97 2jfy s LYS 225 N -1.33 3.48 -0.54 1.70 1.02 -1.26 -4.86 119.74 117.95 2jfy s LYS 225 Ca 0.29 -0.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.22 2jfy s LYS 225 Cb -0.17 -2.48 0.15 0.00 -0.52 0.00 0.00 37.83 34.81 2jfy s LYS 225 CO 0.16 -0.10 2.52 0.09 -0.92 0.00 0.00 175.35 177.11 2jfy n ASN 226 N -2.10 6.76 -0.09 2.83 4.13 -1.26 -4.46 115.26 121.07 2jfy n ASN 226 Ca -0.01 -3.36 0.10 0.00 1.68 0.00 0.00 54.58 52.98 2jfy n ASN 226 Cb 0.56 -1.17 0.14 0.00 -1.54 0.00 0.00 39.78 37.76 2jfy n ASN 226 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2jfy n ASN 227 N 0.45 2.31 -4.53 6.41 6.94 -1.12 -4.78 115.26 120.94 2jfy n ASN 227 Ca 0.49 -3.10 -0.29 0.00 -0.02 0.00 0.00 54.58 51.66 2jfy n ASN 227 Cb 0.48 -0.43 0.18 0.00 -2.36 0.00 0.00 39.78 37.65 2jfy n ASN 227 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jfy s ALA 228 N -2.86 1.22 0.36 -2.53 0.00 -0.19 -4.92 121.76 112.83 2jfy s ALA 228 Ca 0.32 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 2jfy s ALA 228 Cb 0.28 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 2jfy s ALA 228 CO 0.03 -2.78 0.94 0.00 0.00 0.00 0.00 175.76 173.95 2jfy h THR 230 N 1.62 0.88 -2.50 0.00 2.02 -1.96 -3.32 112.91 109.65 2jfy h THR 230 Ca -0.42 -1.61 -0.60 0.00 0.77 0.00 0.00 66.41 64.55 2jfy h THR 230 Cb 1.35 1.99 -0.40 0.00 -1.74 0.00 0.00 68.15 69.35 2jfy h THR 230 CO 0.58 0.39 -0.80 0.49 0.37 0.00 0.00 175.52 176.55 2jfy n PHE 231 N -3.49 1.39 -0.97 3.16 3.01 -1.26 -5.07 117.46 114.23 2jfy n PHE 231 Ca 0.00 -3.84 -0.29 0.00 1.01 0.00 0.00 57.45 54.33 2jfy n PHE 231 Cb 0.54 -0.29 0.23 0.00 -0.01 0.00 0.00 39.48 39.95 2jfy n PHE 231 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2jfy s PRO 232 N -1.14 -0.88 -0.27 -1.08 0.04 -1.25 -4.97 135.00 125.44 2jfy s PRO 232 Ca 0.32 0.23 -0.26 0.00 0.04 0.00 0.00 61.00 61.33 2jfy s PRO 232 Cb 0.06 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2jfy s PRO 232 CO -0.14 -3.55 0.90 0.21 0.04 0.00 0.00 177.00 174.46 2jfy s LYS 233 N -5.12 4.11 -0.11 4.56 2.47 -0.69 -5.01 119.74 119.94 2jfy s LYS 233 Ca 0.69 0.93 0.02 0.00 -1.56 0.00 0.00 55.97 56.04 2jfy s LYS 233 Cb -0.15 -3.69 0.01 0.00 -1.46 0.00 0.00 37.83 32.55 2jfy s LYS 233 CO 0.58 -0.66 -0.16 0.08 0.16 0.00 0.00 175.35 175.35 2jfy s VAL 234 N 3.09 1.57 -0.10 4.02 1.01 -1.26 -1.11 120.40 127.62 2jfy s VAL 234 Ca 0.38 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2jfy s VAL 234 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2jfy s VAL 234 CO 0.10 0.46 -0.06 -1.61 0.00 0.00 0.00 175.10 173.99 2jfy s GLU 235 N 0.98 3.11 -0.15 2.72 2.02 -0.46 -5.01 118.70 121.92 2jfy s GLU 235 Ca -0.06 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2jfy s GLU 235 Cb -0.15 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 2jfy s GLU 235 CO -0.02 0.49 -0.07 -0.06 0.02 0.00 0.00 175.26 175.62 2jfy s PHE 236 N -0.34 2.95 0.05 1.61 0.40 -1.26 -0.24 117.98 121.15 2jfy s PHE 236 Ca 0.05 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 2jfy s PHE 236 Cb -0.12 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2jfy s PHE 236 CO 0.02 -0.12 -0.13 -1.01 0.70 0.00 0.00 175.22 174.69 2jfy s HIS 237 N 0.41 1.11 -0.01 0.36 3.76 0.12 -4.98 115.29 116.06 2jfy s HIS 237 Ca -0.06 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.25 2jfy s HIS 237 Cb -0.15 -0.64 0.04 0.00 1.11 0.00 0.00 32.58 32.94 2jfy s HIS 237 CO 0.04 0.02 0.43 0.00 -0.85 0.00 0.00 174.74 174.38 2jfy s ALA 238 N -1.05 -1.10 -0.31 -1.40 0.00 -1.26 -1.30 121.76 115.33 2jfy s ALA 238 Ca -0.01 0.57 0.20 0.00 0.00 0.00 0.00 51.96 52.71 2jfy s ALA 238 Cb -0.09 0.14 0.21 0.00 0.00 0.00 0.00 23.12 23.38 2jfy s ALA 238 CO 0.01 -0.35 1.51 0.66 0.00 0.00 0.00 175.76 177.60 2jfy h SER 239 N 3.40 0.00 -2.71 0.00 4.64 -1.80 -3.43 113.55 113.65 2jfy h SER 239 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2jfy h SER 239 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jfy h SER 239 CO 0.41 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2jfy n GLY 240 N 1.16 1.58 3.63 -0.77 0.00 -1.26 -4.56 105.19 104.97 2jfy n GLY 240 Ca 0.03 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 6.16 0.56 1.61 3.68 -1.26 -4.85 116.67 121.57 2jfy s ASP 241 Ca 0.00 1.92 0.33 0.00 2.13 0.00 0.00 52.55 56.93 2jfy s ASP 241 Cb 0.00 -2.53 1.68 0.00 -1.45 0.00 0.00 42.92 40.63 2jfy s ASP 241 CO 0.00 -1.39 2.14 1.62 0.13 0.00 0.00 175.17 177.67 2jfy h VAL 242 N 6.28 0.34 -0.54 1.11 3.04 -1.94 -1.86 116.25 122.68 2jfy h VAL 242 Ca -0.39 -0.38 -0.09 0.00 -1.01 0.00 0.00 66.70 64.83 2jfy h VAL 242 Cb 1.19 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 2jfy h VAL 242 CO 0.98 0.06 -0.02 0.40 -1.01 0.00 0.00 177.57 177.98 2jfy h ILE 243 N 0.00 1.26 -0.36 3.17 1.08 -1.99 -0.79 117.51 119.88 2jfy h ILE 243 Ca -0.00 -1.11 -0.15 0.00 -0.39 0.00 0.00 64.86 63.21 2jfy h ILE 243 Cb 0.27 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2jfy h ILE 243 CO 0.01 0.40 -0.35 -0.50 -0.69 0.00 0.00 178.15 177.01 2jfy h TRP 244 N 0.86 0.99 0.27 1.37 4.06 -1.74 -2.16 115.95 119.60 2jfy h TRP 244 Ca 0.16 -0.28 -0.01 0.00 2.06 0.00 0.00 58.89 60.81 2jfy h TRP 244 Cb 0.53 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2jfy h TRP 244 CO 0.03 1.06 -0.13 1.25 -3.56 0.00 0.00 178.44 177.10 2jfy h LEU 245 N 0.69 -0.30 -0.19 -4.49 5.85 -1.20 -3.17 115.31 112.50 2jfy h LEU 245 Ca 0.07 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2jfy h LEU 245 Cb 0.91 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2jfy h LEU 245 CO 0.08 -0.09 0.05 -0.33 -0.34 0.00 0.00 178.44 177.81 2jfy h GLU 246 N -0.51 0.13 0.00 1.25 5.08 -1.16 -2.30 114.58 117.06 2jfy h GLU 246 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jfy h GLU 246 Cb 0.38 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jfy h GLU 246 CO 0.06 0.08 0.10 0.07 -1.00 0.00 0.00 179.01 178.33 2jfy h ARG 247 N 0.13 0.00 0.00 2.33 0.11 -1.42 0.41 114.38 115.94 2jfy h ARG 247 Ca 0.08 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.09 2jfy h ARG 247 Cb 0.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 2jfy h ARG 247 CO -0.10 0.00 -0.78 1.96 0.10 0.00 0.00 179.97 181.15 2jfy h GLN 248 N 0.00 0.00 -0.85 0.08 1.08 -1.38 -3.38 115.11 110.66 2jfy h GLN 248 Ca 0.00 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.41 2jfy h GLN 248 Cb 0.21 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.51 2jfy h GLN 248 CO 0.00 0.20 0.32 0.00 -0.95 0.00 0.00 178.83 178.40 2jfy h ALA 249 N 1.72 1.29 0.00 3.87 0.00 -0.90 0.12 119.26 125.37 2jfy h ALA 249 Ca -0.04 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jfy h ALA 249 Cb 1.25 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jfy h ALA 249 CO 0.03 -0.36 -0.02 1.57 0.00 0.00 0.00 179.25 180.48 2jfy h LYS 250 N 0.34 0.00 0.00 0.00 2.10 -1.75 0.17 116.57 117.43 2jfy h LYS 250 Ca 0.52 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.10 2jfy h LYS 250 Cb 0.98 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.30 2jfy h LYS 250 CO -0.54 0.02 -0.35 0.93 -2.00 0.00 0.00 179.45 177.50 2jfy h GLU 251 N 0.00 0.00 0.00 0.07 4.39 -1.02 -3.05 114.58 114.97 2jfy h GLU 251 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2jfy h GLU 251 Cb 0.08 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 2jfy h GLU 251 CO 0.00 0.35 -2.13 0.91 -1.16 0.00 0.00 179.01 176.98 2jfy n TRP 252 N -3.72 0.00 1.96 4.33 7.02 -0.09 -4.38 117.44 122.57 2jfy n TRP 252 Ca -0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.60 2jfy n TRP 252 Cb 0.45 -0.79 0.73 0.00 -2.42 0.00 0.00 31.31 29.27 2jfy n TRP 252 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2jfy n LEU 253 N -2.82 0.09 -4.55 -0.99 4.77 0.40 -4.79 117.00 109.11 2jfy n LEU 253 Ca -0.31 -0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.25 2jfy n LEU 253 Cb 0.96 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 2jfy n LEU 253 CO 0.28 0.02 1.35 -0.75 -1.33 0.00 0.00 177.39 176.96 2jfy s LYS 254 N -1.99 3.03 0.00 3.23 2.20 -1.15 -5.02 119.74 120.03 2jfy s LYS 254 Ca 0.38 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2jfy s LYS 254 Cb 0.17 -4.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2jfy s LYS 254 CO 0.29 -2.43 0.00 1.47 -0.36 0.00 0.00 175.35 174.32