#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjh s LYS 2 N 0.00 2.61 0.05 3.17 -0.14 -1.26 -1.26 119.74 122.90 3kjh s LYS 2 Ca 0.00 -1.12 0.09 0.00 -1.36 0.00 0.00 55.97 53.58 3kjh s LYS 2 Cb 0.00 -2.92 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 3kjh s LYS 2 CO 0.00 -0.46 -0.26 -1.17 -0.76 0.00 0.00 175.35 172.70 3kjh s LEU 3 N 1.24 2.18 -0.06 3.17 2.96 0.69 -0.06 118.68 128.80 3kjh s LEU 3 Ca -0.03 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3kjh s LEU 3 Cb -0.18 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3kjh s LEU 3 CO -0.05 0.26 -0.18 0.00 -1.32 0.00 0.00 176.35 175.05 3kjh s ALA 4 N -0.82 1.67 -0.15 5.97 0.00 -0.94 -0.89 121.76 126.60 3kjh s ALA 4 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3kjh s ALA 4 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3kjh s ALA 4 CO 0.02 0.26 -0.17 0.08 0.00 0.00 0.00 175.76 175.95 3kjh s VAL 5 N 0.23 1.76 0.08 0.00 1.01 -0.44 -0.20 120.40 122.84 3kjh s VAL 5 Ca -0.09 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kjh s VAL 5 Cb -0.14 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3kjh s VAL 5 CO 0.04 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.53 3kjh s ALA 6 N 1.31 1.04 0.00 5.51 0.00 0.26 -0.47 121.76 129.41 3kjh s ALA 6 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3kjh s ALA 6 Cb -0.13 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3kjh s ALA 6 CO -0.10 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3kjh n GLY 7 N 0.80 0.96 0.00 0.00 0.00 -1.18 -1.09 105.19 104.67 3kjh n GLY 7 Ca -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3kjh n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kjh n LYS 8 N -0.77 2.68 0.00 1.61 4.76 -1.26 -3.21 118.16 121.96 3kjh n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kjh n LYS 8 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kjh n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kjh n GLY 9 N 5.00 1.03 0.51 0.72 0.00 -1.26 -4.49 105.19 106.69 3kjh n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kjh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjh n GLY 10 N 0.00 0.99 0.27 -0.02 0.00 -1.26 -4.60 105.19 100.56 3kjh n GLY 10 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.30 3kjh n GLY 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kjh h VAL 11 N 0.00 0.72 -0.11 1.61 3.04 -1.87 0.02 116.25 119.65 3kjh h VAL 11 Ca 0.00 -0.16 0.04 0.00 -1.01 0.00 0.00 66.70 65.57 3kjh h VAL 11 Cb 0.00 0.22 -0.06 0.00 -2.01 0.00 0.00 31.29 29.43 3kjh h VAL 11 CO 0.00 0.08 -0.39 1.23 -1.01 0.00 0.00 177.57 177.49 3kjh h GLY 12 N 0.47 -0.63 1.19 3.17 0.00 -1.88 1.10 103.07 106.48 3kjh h GLY 12 Ca 0.37 0.48 -0.04 0.00 0.00 0.00 0.00 47.33 48.15 3kjh h GLY 12 CO -0.35 -0.23 0.29 1.70 0.00 0.00 0.00 176.54 177.95 3kjh h LYS 13 N -0.47 1.03 0.00 4.80 3.64 -1.70 -2.44 116.57 121.42 3kjh h LYS 13 Ca 0.08 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 3kjh h LYS 13 Cb 0.61 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3kjh h LYS 13 CO -0.37 0.83 -0.48 1.15 -2.27 0.00 0.00 179.45 178.31 3kjh h THR 14 N 1.01 1.21 -0.69 1.00 2.02 0.15 -2.65 112.91 114.96 3kjh h THR 14 Ca 0.24 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 3kjh h THR 14 Cb 0.18 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3kjh h THR 14 CO -0.02 0.47 0.34 0.74 0.37 0.00 0.00 175.52 177.41 3kjh h THR 15 N 0.00 1.23 -0.43 3.16 2.02 0.17 -0.97 112.91 118.09 3kjh h THR 15 Ca -0.00 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 3kjh h THR 15 Cb 0.91 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3kjh h THR 15 CO 0.06 0.27 0.05 0.58 0.37 0.00 0.00 175.52 176.85 3kjh h VAL 16 N 0.96 1.25 -0.04 3.16 2.07 -1.32 -1.65 116.25 120.68 3kjh h VAL 16 Ca 0.24 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3kjh h VAL 16 Cb 0.11 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3kjh h VAL 16 CO -0.03 0.32 0.03 0.00 0.02 0.00 0.00 177.57 177.90 3kjh h ALA 17 N 0.93 0.05 -0.80 1.67 0.00 -1.22 -1.12 119.26 118.76 3kjh h ALA 17 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kjh h ALA 17 Cb 0.40 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kjh h ALA 17 CO 0.01 -0.44 0.53 0.00 0.00 0.00 0.00 179.25 179.35 3kjh h ALA 18 N 1.00 1.44 -0.33 0.00 0.00 -1.11 -0.65 119.26 119.61 3kjh h ALA 18 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kjh h ALA 18 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kjh h ALA 18 CO -0.00 0.52 0.18 0.78 0.00 0.00 0.00 179.25 180.73 3kjh h GLY 19 N 1.08 0.48 1.03 0.00 0.00 -0.85 -1.41 103.07 103.41 3kjh h GLY 19 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 3kjh h GLY 19 CO -0.07 0.21 0.02 1.41 0.00 0.00 0.00 176.54 178.10 3kjh h LEU 20 N 0.41 0.91 -0.04 3.11 3.38 -0.55 -2.13 115.31 120.40 3kjh h LEU 20 Ca 0.12 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3kjh h LEU 20 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kjh h LEU 20 CO -0.02 0.99 -0.07 0.40 0.09 0.00 0.00 178.44 179.83 3kjh h ILE 21 N 0.81 0.81 -0.74 1.22 2.04 -0.94 0.19 117.51 120.89 3kjh h ILE 21 Ca 0.15 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3kjh h ILE 21 Cb 0.51 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 3kjh h ILE 21 CO 0.02 0.00 0.49 0.11 0.00 0.00 0.00 178.15 178.77 3kjh h LYS 22 N -0.10 0.95 -0.48 2.37 1.79 -1.17 -1.67 116.57 118.26 3kjh h LYS 22 Ca 0.04 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 3kjh h LYS 22 Cb 0.16 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 3kjh h LYS 22 CO -0.10 0.63 -0.08 0.82 -1.08 0.00 0.00 179.45 179.63 3kjh h ILE 23 N 0.98 1.26 0.00 1.86 2.04 -1.12 -2.93 117.51 119.61 3kjh h ILE 23 Ca 0.28 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3kjh h ILE 23 Cb -0.08 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3kjh h ILE 23 CO -0.07 0.41 -0.06 0.24 0.00 0.00 0.00 178.15 178.66 3kjh h MET 24 N 0.78 0.00 0.00 2.37 2.86 0.28 -2.61 114.93 118.60 3kjh h MET 24 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3kjh h MET 24 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3kjh h MET 24 CO 0.04 0.06 0.13 0.00 1.06 0.00 0.00 176.91 178.20 3kjh h ALA 25 N 1.94 1.12 0.00 6.32 0.00 -1.21 0.16 119.26 127.58 3kjh h ALA 25 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3kjh h ALA 25 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kjh h ALA 25 CO 0.01 -0.12 -0.57 0.77 0.00 0.00 0.00 179.25 179.34 3kjh h SER 26 N 0.00 0.00 0.00 0.00 0.02 -1.65 -3.33 113.55 108.59 3kjh h SER 26 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kjh h SER 26 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3kjh h SER 26 CO 0.00 0.57 -1.22 0.47 -1.14 0.00 0.00 176.83 175.51 3kjh n ASP 27 N -3.25 0.76 -4.17 3.07 8.00 0.48 -4.98 116.55 116.47 3kjh n ASP 27 Ca 0.02 -0.67 -0.19 0.00 0.71 0.00 0.00 54.79 54.66 3kjh n ASP 27 Cb 0.76 1.28 -0.12 0.00 -0.02 0.00 0.00 41.12 43.01 3kjh n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kjh s TYR 28 N -3.00 1.25 -0.77 1.24 1.51 -0.76 -5.03 117.35 111.79 3kjh s TYR 28 Ca 0.03 -0.42 0.27 0.00 -1.01 0.00 0.00 57.07 55.94 3kjh s TYR 28 Cb 0.14 -0.71 0.87 0.00 -0.11 0.00 0.00 41.96 42.14 3kjh s TYR 28 CO 0.81 0.06 1.79 -0.25 -1.11 0.00 0.00 175.55 176.85 3kjh n ASP 29 N 1.50 0.70 -3.64 2.29 10.43 -1.26 -4.67 116.55 121.90 3kjh n ASP 29 Ca -0.20 0.56 -0.09 0.00 2.57 0.00 0.00 54.79 57.63 3kjh n ASP 29 Cb 0.54 -0.75 -0.07 0.00 1.84 0.00 0.00 41.12 42.69 3kjh n ASP 29 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3kjh s LYS 30 N -3.09 0.66 -0.05 -1.24 2.20 -1.26 -4.63 119.74 112.34 3kjh s LYS 30 Ca 0.11 0.96 0.02 0.00 -0.36 0.00 0.00 55.97 56.70 3kjh s LYS 30 Cb 0.13 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.70 3kjh s LYS 30 CO 0.59 -0.11 -0.09 0.42 -0.36 0.00 0.00 175.35 175.80 3kjh s ILE 31 N 0.97 0.84 -0.36 5.43 1.01 -0.22 -3.44 121.20 125.43 3kjh s ILE 31 Ca -0.05 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 3kjh s ILE 31 Cb -0.05 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 3kjh s ILE 31 CO -0.10 0.28 0.52 -0.31 0.00 0.00 0.00 174.94 175.33 3kjh s TYR 32 N 0.63 3.17 -0.29 3.97 2.02 -0.16 -0.79 117.35 125.91 3kjh s TYR 32 Ca -0.11 0.16 -0.10 0.00 -0.37 0.00 0.00 57.07 56.65 3kjh s TYR 32 Cb -0.14 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 3kjh s TYR 32 CO 0.02 -0.56 0.17 0.00 -1.57 0.00 0.00 175.55 173.60 3kjh s ALA 33 N 2.42 3.43 -0.25 3.71 0.00 0.10 -1.25 121.76 129.92 3kjh s ALA 33 Ca 0.19 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3kjh s ALA 33 Cb -0.15 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.55 3kjh s ALA 33 CO 0.14 -0.64 -0.02 0.08 0.00 0.00 0.00 175.76 175.31 3kjh s VAL 34 N 1.71 3.33 -0.67 0.00 1.01 -0.05 -1.36 120.40 124.37 3kjh s VAL 34 Ca 0.06 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3kjh s VAL 34 Cb -0.16 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 33.67 3kjh s VAL 34 CO 0.09 0.27 0.99 -0.62 0.00 0.00 0.00 175.10 175.84 3kjh s ASP 35 N 1.43 6.18 -0.14 3.32 -1.08 0.07 -0.80 116.67 125.65 3kjh s ASP 35 Ca 0.03 -0.98 0.15 0.00 -0.52 0.00 0.00 52.55 51.23 3kjh s ASP 35 Cb -0.16 -2.43 0.52 0.00 -1.46 0.00 0.00 42.92 39.39 3kjh s ASP 35 CO -0.02 -1.46 1.43 0.61 0.52 0.00 0.00 175.17 176.24 3kjh n GLY 36 N 5.35 3.62 2.97 2.66 0.00 0.36 -1.66 105.19 118.49 3kjh n GLY 36 Ca -0.02 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3kjh n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjh s ASP 37 N -1.59 4.60 0.30 1.61 3.68 -1.18 -4.28 116.67 119.81 3kjh s ASP 37 Ca 0.40 -2.00 0.22 0.00 2.13 0.00 0.00 52.55 53.30 3kjh s ASP 37 Cb 0.30 -1.49 1.09 0.00 -1.45 0.00 0.00 42.92 41.38 3kjh s ASP 37 CO 0.12 -0.37 1.66 -0.81 0.13 0.00 0.00 175.17 175.90 3kjh n PRO 38 N 4.37 0.15 0.03 4.34 -0.04 -1.26 -2.58 135.00 140.02 3kjh n PRO 38 Ca 0.01 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 3kjh n PRO 38 Cb 0.42 -1.93 0.42 0.00 -0.04 0.00 0.00 33.50 32.38 3kjh n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kjh n ASP 39 N -2.24 0.39 -4.13 3.54 8.00 -1.26 -4.88 116.55 115.98 3kjh n ASP 39 Ca -0.00 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 3kjh n ASP 39 Cb 0.09 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 3kjh n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kjh s SER 40 N -3.51 0.92 -0.60 -2.24 1.04 -1.06 -4.81 113.70 103.43 3kjh s SER 40 Ca 0.11 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.49 3kjh s SER 40 Cb 0.16 0.11 0.15 0.00 0.10 0.00 0.00 66.02 66.55 3kjh s SER 40 CO 0.61 -0.46 0.53 0.00 0.98 0.00 0.00 173.24 174.90 3kjh h LEU 42 N 8.36 0.87 -1.32 0.00 6.46 -1.94 -2.47 115.31 125.26 3kjh h LEU 42 Ca -0.15 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.64 3kjh h LEU 42 Cb 1.07 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.78 3kjh h LEU 42 CO 0.90 0.58 0.47 1.23 -0.62 0.00 0.00 178.44 181.00 3kjh h GLY 43 N 1.02 0.99 0.95 3.75 0.00 -1.95 -2.08 103.07 105.75 3kjh h GLY 43 Ca 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3kjh h GLY 43 CO -0.15 0.32 0.18 -1.61 0.00 0.00 0.00 176.54 175.29 3kjh h GLN 44 N 0.90 0.54 0.00 4.80 -0.00 -1.60 -0.43 115.11 119.32 3kjh h GLN 44 Ca 0.28 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 3kjh h GLN 44 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.38 3kjh h GLN 44 CO -0.07 0.48 0.00 1.79 0.00 0.00 0.00 178.83 181.02 3kjh h THR 45 N 0.47 0.00 -0.32 2.39 1.35 -1.34 -2.30 112.91 113.17 3kjh h THR 45 Ca 0.13 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3kjh h THR 45 Cb 0.11 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3kjh h THR 45 CO -0.02 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.43 3kjh n LEU 46 N -2.65 2.10 0.00 3.87 4.77 -0.77 -4.46 117.00 119.86 3kjh n LEU 46 Ca 0.02 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3kjh n LEU 46 Cb 0.29 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3kjh n LEU 46 CO 0.24 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3kjh n GLY 47 N 1.18 0.63 3.94 -0.72 0.00 -0.86 -5.05 105.19 104.30 3kjh n GLY 47 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3kjh n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjh s LEU 48 N 0.00 3.44 0.53 0.99 1.43 -0.24 -4.99 118.68 119.83 3kjh s LEU 48 Ca 0.00 0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 3kjh s LEU 48 Cb 0.00 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.87 3kjh s LEU 48 CO 0.00 -0.89 0.94 -0.94 0.23 0.00 0.00 176.35 175.68 3kjh s SER 49 N -4.27 6.42 0.40 2.29 1.04 -1.26 -4.11 113.70 114.20 3kjh s SER 49 Ca 0.51 1.36 0.11 0.00 0.48 0.00 0.00 55.95 58.42 3kjh s SER 49 Cb -0.10 -2.43 0.91 0.00 0.10 0.00 0.00 66.02 64.50 3kjh s SER 49 CO 0.41 -0.65 1.94 0.40 0.98 0.00 0.00 173.24 176.32 3kjh h ILE 50 N 0.43 0.90 -0.18 -1.02 2.04 -1.94 -1.77 117.51 115.98 3kjh h ILE 50 Ca -0.46 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3kjh h ILE 50 Cb 1.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kjh h ILE 50 CO 0.62 0.10 0.09 -0.08 0.00 0.00 0.00 178.15 178.88 3kjh h GLU 51 N 0.56 0.27 -0.38 2.37 4.57 -1.99 -1.63 114.58 118.35 3kjh h GLU 51 Ca 0.33 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 3kjh h GLU 51 Cb 0.54 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3kjh h GLU 51 CO -0.11 0.31 0.11 0.93 -1.18 0.00 0.00 179.01 179.07 3kjh h GLU 52 N 0.16 0.55 -0.39 1.92 5.08 -1.72 -1.86 114.58 118.33 3kjh h GLU 52 Ca 0.06 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3kjh h GLU 52 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3kjh h GLU 52 CO -0.01 0.49 -0.12 0.00 -1.00 0.00 0.00 179.01 178.37 3kjh h ALA 53 N 1.58 0.54 0.00 3.43 0.00 -1.11 -3.04 119.26 120.66 3kjh h ALA 53 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kjh h ALA 53 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kjh h ALA 53 CO -0.01 0.42 0.00 0.66 0.00 0.00 0.00 179.25 180.33 3kjh n TYR 54 N -4.33 0.08 1.27 0.00 4.01 -0.63 -2.37 117.16 115.19 3kjh n TYR 54 Ca -0.01 0.02 0.14 0.00 -0.16 0.00 0.00 57.90 57.89 3kjh n TYR 54 Cb 0.37 -0.54 0.62 0.00 -0.31 0.00 0.00 39.34 39.48 3kjh n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kjh n ALA 55 N -1.52 2.66 -2.62 -0.72 0.00 -0.73 -4.69 120.51 112.88 3kjh n ALA 55 Ca 0.06 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3kjh n ALA 55 Cb 0.30 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 3kjh n ALA 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kjh s ILE 56 N -2.69 4.78 0.18 0.00 1.01 -1.00 -5.00 121.20 118.48 3kjh s ILE 56 Ca 0.23 1.27 -0.32 0.00 0.00 0.00 0.00 60.65 61.84 3kjh s ILE 56 Cb 0.20 -4.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 3kjh s ILE 56 CO 0.51 -0.24 1.71 -0.89 0.00 0.00 0.00 174.94 176.02 3kjh s THR 57 N 2.98 2.30 0.49 2.92 2.01 -1.26 -4.93 115.64 120.16 3kjh s THR 57 Ca 0.33 0.14 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 3kjh s THR 57 Cb -0.14 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 3kjh s THR 57 CO 0.12 0.01 0.99 -2.16 -0.69 0.00 0.00 174.62 172.89 3kjh s PRO 58 N 1.53 3.92 0.23 4.92 0.04 -1.26 -4.70 135.00 139.68 3kjh s PRO 58 Ca 0.75 1.13 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 3kjh s PRO 58 Cb -0.47 -2.13 0.38 0.00 0.04 0.00 0.00 34.50 32.32 3kjh s PRO 58 CO 0.33 -0.30 1.63 -0.07 0.04 0.00 0.00 177.00 178.63 3kjh h LEU 59 N 1.32 -0.41 -2.49 -3.56 4.07 -0.35 -0.50 115.31 113.39 3kjh h LEU 59 Ca -0.48 0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3kjh h LEU 59 Cb 1.20 0.35 0.00 0.00 1.08 0.00 0.00 40.66 43.29 3kjh h LEU 59 CO 0.60 -0.18 0.11 -0.29 -1.08 0.00 0.00 178.44 177.60 3kjh h ILE 60 N 0.08 0.00 -0.68 1.22 6.09 -1.72 -2.05 117.51 120.45 3kjh h ILE 60 Ca 0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 3kjh h ILE 60 Cb 0.64 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.76 3kjh h ILE 60 CO -0.66 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 173.80 3kjh n GLU 61 N -2.91 2.72 -2.23 2.19 1.02 -0.20 -4.67 120.64 116.55 3kjh n GLU 61 Ca -0.02 -2.60 -0.41 0.00 -0.02 0.00 0.00 57.16 54.10 3kjh n GLU 61 Cb 0.17 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3kjh n GLU 61 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3kjh n MET 62 N 1.58 4.25 -0.20 3.49 2.81 -0.77 -4.80 117.12 123.47 3kjh n MET 62 Ca 0.23 -3.63 -0.02 0.00 -1.81 0.00 0.00 57.70 52.48 3kjh n MET 62 Cb 0.61 -2.73 0.09 0.00 -0.71 0.00 0.00 33.22 30.48 3kjh n MET 62 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kjh h LYS 63 N 5.09 0.52 -0.61 0.03 2.10 -1.86 0.15 116.57 121.99 3kjh h LYS 63 Ca 0.54 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 59.21 3kjh h LYS 63 Cb 0.45 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 31.62 3kjh h LYS 63 CO 1.51 0.35 0.33 -0.44 -2.00 0.00 0.00 179.45 179.20 3kjh h ASP 64 N 0.54 0.50 -0.21 7.07 5.19 -2.00 0.16 116.42 127.67 3kjh h ASP 64 Ca 0.28 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.57 3kjh h ASP 64 Cb 0.24 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3kjh h ASP 64 CO -0.22 0.33 -0.41 -0.08 -3.12 0.00 0.00 179.24 175.74 3kjh h GLU 65 N 0.63 0.76 -0.46 3.56 4.57 -1.81 -1.94 114.58 119.89 3kjh h GLU 65 Ca 0.27 -0.40 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3kjh h GLU 65 Cb 0.15 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3kjh h GLU 65 CO -0.16 1.02 -0.01 0.82 -1.18 0.00 0.00 179.01 179.50 3kjh h ILE 66 N 0.62 1.24 -0.27 2.32 2.04 -0.11 -1.30 117.51 122.05 3kjh h ILE 66 Ca 0.05 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 3kjh h ILE 66 Cb 0.96 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3kjh h ILE 66 CO 0.09 0.35 -0.05 -0.09 0.00 0.00 0.00 178.15 178.45 3kjh h ARG 67 N 0.71 0.51 0.00 2.37 2.43 -0.57 -2.04 114.38 117.78 3kjh h ARG 67 Ca 0.14 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kjh h ARG 67 Cb 0.44 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3kjh h ARG 67 CO 0.02 0.71 0.00 1.49 -1.51 0.00 0.00 179.97 180.68 3kjh h GLU 68 N 0.26 0.00 -0.00 0.20 4.22 -1.01 -0.83 114.58 117.42 3kjh h GLU 68 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 3kjh h GLU 68 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kjh h GLU 68 CO 0.02 0.00 -0.38 1.63 -2.18 0.00 0.00 179.01 178.10 3kjh n LYS 69 N -2.68 3.31 0.00 1.92 4.76 -0.52 -4.66 118.16 120.30 3kjh n LYS 69 Ca 0.00 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3kjh n LYS 69 Cb 0.20 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3kjh n LYS 69 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3kjh n THR 70 N -0.94 0.00 0.00 -0.18 -2.24 -0.78 -4.33 114.28 105.81 3kjh n THR 70 Ca 0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3kjh n THR 70 Cb 0.17 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3kjh n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjh n GLY 71 N 0.58 2.53 2.90 3.38 0.00 -0.32 -1.46 105.19 112.80 3kjh n GLY 71 Ca 0.00 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 3kjh n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjh s ASP 72 N 0.00 4.28 -0.09 1.61 3.68 -1.25 -4.56 116.67 120.35 3kjh s ASP 72 Ca 0.00 -2.57 -0.06 0.00 2.13 0.00 0.00 52.55 52.04 3kjh s ASP 72 Cb 0.00 -1.45 0.02 0.00 -1.45 0.00 0.00 42.92 40.05 3kjh s ASP 72 CO 0.00 -0.30 0.12 0.61 0.13 0.00 0.00 175.17 175.74 3kjh n GLY 73 N 3.67 -4.57 3.76 2.66 0.00 -1.26 -4.38 105.19 105.07 3kjh n GLY 73 Ca 0.05 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3kjh n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjh n GLY 74 N 1.13 1.82 3.56 -0.02 0.00 -1.26 -4.93 105.19 105.48 3kjh n GLY 74 Ca -0.21 -0.18 -0.47 0.00 0.00 0.00 0.00 46.02 45.17 3kjh n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kjh n LEU 75 N 0.00 2.88 -4.60 0.99 0.00 -1.26 -4.94 117.00 110.07 3kjh n LEU 75 Ca 0.00 0.43 -0.33 0.00 0.00 0.00 0.00 56.01 56.11 3kjh n LEU 75 Cb 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 43.42 41.90 3kjh n LEU 75 CO 0.00 -0.58 -0.37 -0.22 0.00 0.00 0.00 177.39 176.22 3kjh s LEU 76 N 7.15 3.22 -0.14 -1.96 2.96 -1.25 -3.70 118.68 124.97 3kjh s LEU 76 Ca 1.03 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.81 3kjh s LEU 76 Cb -0.60 -1.80 0.05 0.00 0.50 0.00 0.00 46.19 44.34 3kjh s LEU 76 CO 0.43 0.31 0.08 -0.63 -1.32 0.00 0.00 176.35 175.22 3kjh s ILE 77 N -0.95 -0.05 -1.18 6.68 1.01 -0.53 -4.91 121.20 121.26 3kjh s ILE 77 Ca 0.16 -0.02 0.26 0.00 0.00 0.00 0.00 60.65 61.05 3kjh s ILE 77 Cb -0.11 -0.48 0.13 0.00 0.01 0.00 0.00 42.46 42.01 3kjh s ILE 77 CO 0.06 -0.15 1.57 0.18 0.00 0.00 0.00 174.94 176.61 3kjh n LEU 78 N 5.27 0.49 -3.27 2.97 7.99 -1.26 -4.48 117.00 124.72 3kjh n LEU 78 Ca -0.06 0.04 -0.25 0.00 -0.01 0.00 0.00 56.01 55.73 3kjh n LEU 78 Cb 0.49 -0.27 -0.07 0.00 -0.11 0.00 0.00 43.42 43.46 3kjh n LEU 78 CO 0.09 0.11 -0.20 0.59 -1.51 0.00 0.00 177.39 176.47 3kjh n ASN 79 N -1.31 1.06 -4.71 -1.43 3.02 -1.26 -5.02 115.26 105.62 3kjh n ASN 79 Ca 0.08 -2.87 -0.42 0.00 -0.03 0.00 0.00 54.58 51.34 3kjh n ASN 79 Cb 0.33 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3kjh n ASN 79 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3kjh s PRO 80 N -1.44 4.18 -0.70 3.52 0.02 -1.26 -4.96 135.00 134.36 3kjh s PRO 80 Ca 0.36 2.46 -0.22 0.00 0.02 0.00 0.00 61.00 63.62 3kjh s PRO 80 Cb 0.15 -3.32 0.08 0.00 0.02 0.00 0.00 34.50 31.43 3kjh s PRO 80 CO -0.09 -0.71 0.98 0.15 -0.33 0.00 0.00 177.00 177.00 3kjh s LYS 81 N 1.80 3.18 0.00 5.54 -0.14 -1.26 -4.80 119.74 124.06 3kjh s LYS 81 Ca 0.74 -0.98 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 3kjh s LYS 81 Cb -0.45 -4.34 0.00 0.00 -1.68 0.00 0.00 37.83 31.37 3kjh s LYS 81 CO 0.33 -1.81 0.81 1.33 -0.76 0.00 0.00 175.35 175.25 3kjh n VAL 82 N 5.87 0.65 0.30 3.17 0.24 -1.26 -4.70 118.33 122.59 3kjh n VAL 82 Ca 0.00 -0.79 0.19 0.00 -2.04 0.00 0.00 64.34 61.69 3kjh n VAL 82 Cb 0.46 0.69 0.91 0.00 -1.47 0.00 0.00 33.84 34.43 3kjh n VAL 82 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kjh h ASP 83 N 0.00 0.00 1.13 -1.34 2.03 -1.87 -2.67 116.42 113.69 3kjh h ASP 83 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 3kjh h ASP 83 Cb 0.37 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 3kjh h ASP 83 CO 0.00 0.03 -0.90 1.23 -1.03 0.00 0.00 179.24 178.57 3kjh h GLY 84 N 0.97 0.00 -2.53 7.15 0.00 -2.01 -3.35 103.07 103.30 3kjh h GLY 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kjh h GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3kjh n ASP 85 N -2.84 4.24 -0.32 0.19 8.00 -1.02 -4.70 116.55 120.09 3kjh n ASP 85 Ca -0.02 -2.37 0.12 0.00 0.71 0.00 0.00 54.79 53.23 3kjh n ASP 85 Cb 0.63 -0.50 0.29 0.00 -0.02 0.00 0.00 41.12 41.53 3kjh n ASP 85 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kjh h LEU 86 N 3.50 0.60 0.00 0.64 3.38 -1.68 -1.54 115.31 120.21 3kjh h LEU 86 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kjh h LEU 86 Cb 1.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3kjh h LEU 86 CO 0.16 0.18 0.00 0.47 0.09 0.00 0.00 178.44 179.34 3kjh n ASP 87 N -4.87 0.00 -0.25 -0.43 9.92 -1.26 -0.64 116.55 119.02 3kjh n ASP 87 Ca 0.22 -0.03 0.10 0.00 -0.53 0.00 0.00 54.79 54.55 3kjh n ASP 87 Cb 0.56 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.85 3kjh n ASP 87 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3kjh n LYS 88 N -1.13 0.61 -0.84 -1.24 5.02 -0.58 -4.38 118.16 115.62 3kjh n LYS 88 Ca 0.04 -0.49 0.07 0.00 -2.02 0.00 0.00 58.31 55.91 3kjh n LYS 88 Cb 0.04 -1.49 0.39 0.00 -0.02 0.00 0.00 35.03 33.95 3kjh n LYS 88 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kjh n TYR 89 N -0.77 1.95 -2.90 2.13 4.01 0.19 -4.99 117.16 116.78 3kjh n TYR 89 Ca 0.07 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 3kjh n TYR 89 Cb 0.40 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3kjh n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kjh n GLY 90 N 0.70 1.36 2.98 2.72 0.00 -1.26 -4.53 105.19 107.16 3kjh n GLY 90 Ca 0.27 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 3kjh n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjh s ARG 91 N 0.26 0.34 0.04 1.61 1.81 -0.89 -4.97 118.95 117.16 3kjh s ARG 91 Ca 0.00 -0.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.28 3kjh s ARG 91 Cb 0.00 -0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.29 3kjh s ARG 91 CO 0.00 0.03 1.07 0.71 -0.68 0.00 0.00 175.30 176.43 3kjh s TYR 92 N -0.81 3.58 0.09 -0.53 2.02 -1.26 -0.56 117.35 119.88 3kjh s TYR 92 Ca -0.06 1.54 -0.05 0.00 -0.37 0.00 0.00 57.07 58.13 3kjh s TYR 92 Cb -0.06 -3.24 -0.24 0.00 -0.40 0.00 0.00 41.96 38.01 3kjh s TYR 92 CO -0.00 -0.53 1.17 0.82 -1.57 0.00 0.00 175.55 175.44 3kjh h ILE 93 N 4.56 1.46 -0.77 2.71 2.04 -0.58 -3.48 117.51 123.45 3kjh h ILE 93 Ca -0.42 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 62.55 3kjh h ILE 93 Cb 1.22 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 3kjh h ILE 93 CO 0.77 0.85 0.00 -0.90 0.00 0.00 0.00 178.15 178.87 3kjh n ASP 94 N -3.60 0.00 0.28 1.72 5.68 -1.23 -5.02 116.55 114.38 3kjh n ASP 94 Ca -0.09 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.35 3kjh n ASP 94 Cb 0.98 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.75 3kjh n ASP 94 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3kjh h ASP 95 N 0.00 0.00 0.00 -1.12 2.03 -1.99 -3.37 116.42 111.98 3kjh h ASP 95 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 3kjh h ASP 95 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3kjh h ASP 95 CO 0.00 0.09 -1.28 0.29 -1.03 0.00 0.00 179.24 177.31 3kjh n LYS 96 N -3.44 1.28 -3.19 4.15 5.02 -1.26 -4.93 118.16 115.78 3kjh n LYS 96 Ca -0.01 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3kjh n LYS 96 Cb 0.23 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.08 3kjh n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kjh s ILE 97 N -2.10 5.05 -0.25 -0.18 1.01 -1.26 -1.06 121.20 122.42 3kjh s ILE 97 Ca -0.05 0.99 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 3kjh s ILE 97 Cb 0.02 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 3kjh s ILE 97 CO 0.13 0.10 0.00 0.12 0.00 0.00 0.00 174.94 175.29 3kjh s PHE 98 N 2.14 3.04 -0.19 3.97 2.19 0.03 0.25 117.98 129.41 3kjh s PHE 98 Ca 0.24 -0.99 -0.14 0.00 0.33 0.00 0.00 56.93 56.37 3kjh s PHE 98 Cb -0.16 -2.15 -0.04 0.00 -1.31 0.00 0.00 43.02 39.36 3kjh s PHE 98 CO 0.09 -0.56 0.29 -1.17 1.83 0.00 0.00 175.22 175.70 3kjh s LEU 99 N 1.47 4.18 -0.05 6.12 2.96 0.28 -0.72 118.68 132.92 3kjh s LEU 99 Ca 0.04 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 3kjh s LEU 99 Cb -0.16 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 3kjh s LEU 99 CO -0.01 0.04 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.20 3kjh s ILE 100 N 0.87 1.83 -0.16 6.68 1.01 -0.46 -2.09 121.20 128.87 3kjh s ILE 100 Ca 0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kjh s ILE 100 Cb -0.14 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3kjh s ILE 100 CO 0.05 0.51 -0.15 -0.13 0.00 0.00 0.00 174.94 175.23 3kjh s ARG 101 N -0.07 3.21 0.05 2.79 0.52 -1.26 -0.75 118.95 123.43 3kjh s ARG 101 Ca -0.04 -0.75 -0.20 0.00 -0.52 0.00 0.00 55.73 54.22 3kjh s ARG 101 Cb -0.13 -2.66 -0.13 0.00 0.52 0.00 0.00 34.95 32.55 3kjh s ARG 101 CO 0.03 -0.03 1.42 0.52 0.02 0.00 0.00 175.30 177.26 3kjh h MET 102 N 7.46 0.33 0.00 3.54 2.86 -1.70 0.29 114.93 127.70 3kjh h MET 102 Ca -0.35 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3kjh h MET 102 Cb 1.18 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3kjh h MET 102 CO 0.58 0.63 0.00 0.41 1.06 0.00 0.00 176.91 179.59 3kjh n GLY 103 N -0.05 0.56 3.82 8.32 0.00 -1.26 -2.31 105.19 114.26 3kjh n GLY 103 Ca -0.05 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 3kjh n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjh s GLU 104 N -2.43 4.15 0.34 1.61 2.12 -1.26 -4.84 118.70 118.39 3kjh s GLU 104 Ca 0.00 0.68 -0.25 0.00 0.36 0.00 0.00 54.97 55.75 3kjh s GLU 104 Cb 0.00 -3.23 -0.10 0.00 0.26 0.00 0.00 34.13 31.06 3kjh s GLU 104 CO 0.00 0.65 0.95 0.42 -0.54 0.00 0.00 175.26 176.74 3kjh s ILE 105 N -1.11 4.19 -0.80 -3.70 1.01 -1.26 -4.97 121.20 114.56 3kjh s ILE 105 Ca 0.28 1.74 -0.26 0.00 0.00 0.00 0.00 60.65 62.41 3kjh s ILE 105 Cb -0.19 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.39 3kjh s ILE 105 CO 0.18 0.07 1.36 -0.54 0.00 0.00 0.00 174.94 176.00 3kjh s LYS 106 N -2.25 3.25 0.16 2.79 3.01 -1.26 -4.87 119.74 120.56 3kjh s LYS 106 Ca 0.52 -0.40 0.03 0.00 -1.01 0.00 0.00 55.97 55.11 3kjh s LYS 106 Cb -0.18 -4.48 0.43 0.00 -1.01 0.00 0.00 37.83 32.60 3kjh s LYS 106 CO 0.23 -2.21 0.76 1.17 0.51 0.00 0.00 175.35 175.80 3kjh n LYS 107 N 9.25 -0.04 0.00 1.68 4.81 -1.26 -4.51 118.16 128.09 3kjh n LYS 107 Ca 0.11 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 3kjh n LYS 107 Cb 0.50 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.39 3kjh n LYS 107 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kjh n GLY 108 N -1.22 -0.20 2.30 3.14 0.00 -1.26 -5.08 105.19 102.88 3kjh n GLY 108 Ca 0.13 0.54 -0.26 0.00 0.00 0.00 0.00 46.02 46.43 3kjh n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjh n GLY 109 N 0.00 6.16 4.26 -0.02 0.00 -1.26 -4.93 105.19 109.40 3kjh n GLY 109 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.31 3kjh n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kjh n SER 110 N -0.59 0.00 -4.92 1.61 2.88 -1.26 -4.93 113.62 106.41 3kjh n SER 110 Ca 0.42 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.70 3kjh n SER 110 Cb 0.77 -2.02 -0.02 0.00 -0.75 0.00 0.00 64.21 62.20 3kjh n SER 110 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3kjh s GLN 111 N -0.61 3.56 -0.14 -1.46 2.00 -1.26 -5.06 119.66 116.68 3kjh s GLN 111 Ca 0.00 -0.16 -0.24 0.00 -2.00 0.00 0.00 55.36 52.97 3kjh s GLN 111 Cb 0.00 -2.66 -0.02 0.00 0.80 0.00 0.00 33.01 31.13 3kjh s GLN 111 CO 0.00 0.19 0.74 0.00 -0.50 0.00 0.00 175.29 175.72 3kjh n TYR 113 N 4.72 0.00 -0.09 0.00 4.01 -1.26 -4.85 117.16 119.70 3kjh n TYR 113 Ca 0.01 -0.73 -0.09 0.00 -0.16 0.00 0.00 57.90 56.93 3kjh n TYR 113 Cb 0.50 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 3kjh n TYR 113 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kjh h ARG 115 N 0.38 0.57 0.40 0.00 3.08 -1.97 -0.48 114.38 116.36 3kjh h ARG 115 Ca 0.11 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3kjh h ARG 115 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3kjh h ARG 115 CO -0.02 0.38 -0.29 0.93 -1.07 0.00 0.00 179.97 179.90 3kjh h GLU 116 N 0.59 -0.66 -0.44 0.04 3.07 -1.88 -1.93 114.58 113.37 3kjh h GLU 116 Ca 0.18 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3kjh h GLU 116 Cb -0.01 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3kjh h GLU 116 CO -0.07 -0.44 0.24 -0.91 -1.40 0.00 0.00 179.01 176.44 3kjh h ASN 117 N -0.68 0.52 -0.57 1.42 -0.26 -1.12 -1.55 115.58 113.34 3kjh h ASN 117 Ca -0.04 -0.03 -0.09 0.00 -0.56 0.00 0.00 56.30 55.58 3kjh h ASN 117 Cb 0.58 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 3kjh h ASN 117 CO 0.01 0.42 -0.01 -1.28 -1.06 0.00 0.00 177.43 175.51 3kjh h SER 118 N 0.60 1.00 -0.28 5.81 0.87 -0.87 -1.49 113.55 119.19 3kjh h SER 118 Ca 0.16 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 3kjh h SER 118 Cb 0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3kjh h SER 118 CO -0.03 1.07 0.10 0.15 -0.53 0.00 0.00 176.83 177.59 3kjh h PHE 119 N 0.90 0.44 -0.12 2.24 3.57 -0.56 -0.29 116.94 123.12 3kjh h PHE 119 Ca 0.16 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3kjh h PHE 119 Cb 0.56 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3kjh h PHE 119 CO 0.04 0.45 0.06 -0.07 -2.23 0.00 0.00 178.31 176.56 3kjh h LEU 120 N 0.29 0.09 -1.04 0.59 3.38 -1.23 -2.41 115.31 114.98 3kjh h LEU 120 Ca 0.09 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3kjh h LEU 120 Cb 0.21 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3kjh h LEU 120 CO -0.01 0.07 0.64 1.23 0.09 0.00 0.00 178.44 180.46 3kjh h GLY 121 N 0.13 1.51 1.62 0.83 0.00 -1.07 -1.31 103.07 104.77 3kjh h GLY 121 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3kjh h GLY 121 CO -0.03 0.30 -0.24 1.48 0.00 0.00 0.00 176.54 178.05 3kjh h SER 122 N 1.11 0.45 -0.28 0.19 4.64 -0.72 -1.03 113.55 117.90 3kjh h SER 122 Ca 0.44 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 3kjh h SER 122 Cb 0.24 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3kjh h SER 122 CO -0.18 0.69 -0.33 0.58 -0.87 0.00 0.00 176.83 176.71 3kjh h VAL 123 N 0.40 1.30 -0.59 0.95 2.07 -0.87 -1.14 116.25 118.37 3kjh h VAL 123 Ca 0.06 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 3kjh h VAL 123 Cb 0.63 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3kjh h VAL 123 CO 0.05 0.49 0.15 0.58 0.02 0.00 0.00 177.57 178.85 3kjh h VAL 124 N 0.47 1.25 -0.16 2.57 2.07 -1.09 -1.65 116.25 119.72 3kjh h VAL 124 Ca 0.04 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kjh h VAL 124 Cb 0.91 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3kjh h VAL 124 CO 0.08 0.33 0.10 -1.28 0.02 0.00 0.00 177.57 176.83 3kjh h SER 125 N 0.85 0.18 -0.16 0.57 0.87 -1.10 -2.30 113.55 112.46 3kjh h SER 125 Ca 0.19 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 3kjh h SER 125 Cb 0.35 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 3kjh h SER 125 CO 0.00 0.15 -0.09 0.00 -0.53 0.00 0.00 176.83 176.36 3kjh h ALA 126 N 1.04 0.04 -0.41 6.23 0.00 -1.02 0.20 119.26 125.34 3kjh h ALA 126 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kjh h ALA 126 Cb -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3kjh h ALA 126 CO -0.01 -0.53 0.17 -0.07 0.00 0.00 0.00 179.25 178.80 3kjh h LEU 127 N -0.09 0.21 0.16 0.00 3.38 -1.11 0.67 115.31 118.52 3kjh h LEU 127 Ca 0.09 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.80 3kjh h LEU 127 Cb 0.22 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kjh h LEU 127 CO -0.21 0.16 -1.38 -0.26 0.09 0.00 0.00 178.44 176.84 3kjh h PHE 128 N 0.35 0.60 0.00 1.13 0.04 -1.30 -3.36 116.94 114.40 3kjh h PHE 128 Ca 0.19 -0.44 -0.35 0.00 2.80 0.00 0.00 57.97 60.17 3kjh h PHE 128 Cb 0.14 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 3kjh h PHE 128 CO -0.13 1.38 -2.30 1.28 -0.60 0.00 0.00 178.31 177.94 3kjh n LEU 129 N -3.55 0.85 -0.11 1.54 4.77 0.05 -4.78 117.00 115.76 3kjh n LEU 129 Ca -0.13 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.58 3kjh n LEU 129 Cb 1.05 0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 42.11 3kjh n LEU 129 CO 0.54 0.59 -1.20 0.47 -1.33 0.00 0.00 177.39 176.46 3kjh n ASP 130 N -2.83 1.98 -4.77 -1.43 8.00 0.07 -4.96 116.55 112.60 3kjh n ASP 130 Ca -0.34 0.16 -0.39 0.00 0.71 0.00 0.00 54.79 54.94 3kjh n ASP 130 Cb 1.06 -0.70 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 3kjh n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kjh s LYS 131 N -2.50 4.11 0.04 -1.24 -0.14 -0.28 -4.95 119.74 114.78 3kjh s LYS 131 Ca -0.34 1.88 0.05 0.00 -1.36 0.00 0.00 55.97 56.21 3kjh s LYS 131 Cb 0.10 -2.75 -0.24 0.00 -1.68 0.00 0.00 37.83 33.27 3kjh s LYS 131 CO 0.58 -0.28 0.97 0.87 -0.76 0.00 0.00 175.35 176.73 3kjh h LYS 132 N 2.78 0.09 -7.11 1.68 1.79 -1.92 -3.46 116.57 110.42 3kjh h LYS 132 Ca -0.49 -0.15 -0.53 0.00 -2.18 0.00 0.00 60.65 57.30 3kjh h LYS 132 Cb 1.23 0.06 0.20 0.00 -1.58 0.00 0.00 32.23 32.13 3kjh h LYS 132 CO 0.63 0.90 0.08 0.39 -1.08 0.00 0.00 179.45 180.37 3kjh n GLU 133 N -3.30 -0.13 -2.03 3.15 4.71 -1.26 -4.77 120.64 117.00 3kjh n GLU 133 Ca -0.10 0.03 -0.38 0.00 -0.01 0.00 0.00 57.16 56.70 3kjh n GLU 133 Cb 1.01 -2.27 0.01 0.00 -1.01 0.00 0.00 31.44 29.18 3kjh n GLU 133 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kjh s ALA 134 N -2.35 2.97 -0.02 0.62 0.00 -1.22 -4.75 121.76 117.01 3kjh s ALA 134 Ca 0.68 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3kjh s ALA 134 Cb -0.26 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.41 3kjh s ALA 134 CO 0.57 -0.97 0.00 0.08 0.00 0.00 0.00 175.76 175.44 3kjh s VAL 135 N -1.40 0.09 -0.17 0.00 1.01 -0.39 -0.98 120.40 118.55 3kjh s VAL 135 Ca 0.65 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 3kjh s VAL 135 Cb -0.35 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 35.91 3kjh s VAL 135 CO 0.42 0.09 -0.07 -0.69 0.00 0.00 0.00 175.10 174.86 3kjh s VAL 136 N 0.67 1.27 -0.22 2.92 1.01 -0.38 -0.22 120.40 125.45 3kjh s VAL 136 Ca -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 3kjh s VAL 136 Cb -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3kjh s VAL 136 CO -0.02 0.15 -0.07 -0.32 0.00 0.00 0.00 175.10 174.85 3kjh s MET 137 N 1.56 3.24 -0.10 2.72 1.75 -0.07 -0.87 119.30 127.54 3kjh s MET 137 Ca 0.00 -0.71 -0.24 0.00 -1.25 0.00 0.00 55.69 53.49 3kjh s MET 137 Cb -0.15 -2.95 -0.03 0.00 2.84 0.00 0.00 34.83 34.54 3kjh s MET 137 CO -0.08 -0.23 0.74 0.34 -0.65 0.00 0.00 175.02 175.13 3kjh s ASP 138 N 1.43 6.97 0.21 1.11 2.15 0.02 -1.33 116.67 127.22 3kjh s ASP 138 Ca 0.05 1.18 -0.07 0.00 0.43 0.00 0.00 52.55 54.13 3kjh s ASP 138 Cb -0.14 -2.42 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 3kjh s ASP 138 CO -0.05 -0.20 0.29 0.00 -0.17 0.00 0.00 175.17 175.05 3kjh s MET 139 N 1.20 1.31 0.88 4.34 0.23 0.37 -0.49 119.30 127.15 3kjh s MET 139 Ca 0.38 -1.37 -0.12 0.00 -1.03 0.00 0.00 55.69 53.54 3kjh s MET 139 Cb -0.17 0.37 0.12 0.00 -1.53 0.00 0.00 34.83 33.62 3kjh s MET 139 CO 0.17 -0.49 1.15 0.20 -2.03 0.00 0.00 175.02 174.02 3kjh s GLY 140 N -3.06 1.58 0.66 3.16 0.00 -1.26 -3.11 107.32 105.29 3kjh s GLY 140 Ca 0.27 -0.57 0.36 0.00 0.00 0.00 0.00 44.72 44.78 3kjh s GLY 140 CO 0.08 -0.02 2.12 0.00 0.00 0.00 0.00 173.10 175.27 3kjh h ALA 141 N -1.38 1.29 -0.00 3.20 0.00 -1.90 -1.37 119.26 119.09 3kjh h ALA 141 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kjh h ALA 141 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kjh h ALA 141 CO 0.63 -0.21 -0.25 0.41 0.00 0.00 0.00 179.25 179.84 3kjh n GLY 142 N -1.20 -1.30 4.07 0.00 0.00 -1.26 -4.70 105.19 100.81 3kjh n GLY 142 Ca -0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3kjh n GLY 142 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kjh n ILE 143 N -1.41 -0.26 0.50 -0.61 -5.35 -0.51 -4.79 119.36 106.92 3kjh n ILE 143 Ca 0.07 -0.13 0.07 0.00 -0.27 0.00 0.00 62.75 62.49 3kjh n ILE 143 Cb 0.33 -0.55 0.30 0.00 -1.74 0.00 0.00 39.64 37.98 3kjh n ILE 143 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3kjh n GLU 144 N -3.68 0.02 0.09 6.28 0.00 -1.26 -2.65 120.64 119.44 3kjh n GLU 144 Ca -0.02 0.25 0.12 0.00 0.00 0.00 0.00 57.16 57.52 3kjh n GLU 144 Cb 0.45 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.60 3kjh n GLU 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kjh h HIS 145 N 0.00 0.00 -3.61 -1.84 3.86 -1.97 -3.46 115.15 108.14 3kjh h HIS 145 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3kjh h HIS 145 Cb 0.23 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3kjh h HIS 145 CO 0.00 0.00 0.16 -0.51 0.86 0.00 0.00 177.93 178.44 3kjh s LEU 146 N -4.63 4.39 0.36 2.43 1.43 -1.09 -4.97 118.68 116.61 3kjh s LEU 146 Ca 0.07 1.53 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 3kjh s LEU 146 Cb 0.12 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 3kjh s LEU 146 CO 0.69 0.05 0.04 0.42 0.23 0.00 0.00 176.35 177.79 3kjh s THR 147 N -1.46 1.48 0.36 5.49 -4.23 -1.26 -4.98 115.64 111.03 3kjh s THR 147 Ca 0.43 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3kjh s THR 147 Cb -0.18 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.08 3kjh s THR 147 CO 0.22 0.00 1.98 0.03 -0.54 0.00 0.00 174.62 176.31 3kjh h ARG 148 N 1.98 0.78 0.55 3.99 3.08 -1.98 0.20 114.38 122.98 3kjh h ARG 148 Ca -0.42 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 3kjh h ARG 148 Cb 1.24 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 31.12 3kjh h ARG 148 CO 0.74 0.52 -0.26 0.78 -1.07 0.00 0.00 179.97 180.67 3kjh h GLY 149 N 0.80 -0.77 2.00 0.04 0.00 -1.96 -3.07 103.07 100.11 3kjh h GLY 149 Ca 0.28 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.81 3kjh h GLY 149 CO -0.08 -0.28 -0.41 -0.91 0.00 0.00 0.00 176.54 174.85 3kjh h THR 150 N -0.80 1.15 -0.28 4.70 1.35 -1.90 -3.04 112.91 114.09 3kjh h THR 150 Ca -0.08 -1.50 0.07 0.00 -0.55 0.00 0.00 66.41 64.36 3kjh h THR 150 Cb 0.59 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 3kjh h THR 150 CO 0.12 0.41 0.20 0.00 -0.25 0.00 0.00 175.52 176.00 3kjh h ALA 151 N 1.59 2.19 0.00 6.62 0.00 -0.52 -0.15 119.26 128.98 3kjh h ALA 151 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kjh h ALA 151 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kjh h ALA 151 CO 0.05 -0.26 0.00 0.87 0.00 0.00 0.00 179.25 179.91 3kjh h LYS 152 N 0.06 0.00 0.00 0.00 1.57 -1.49 -2.81 116.57 113.90 3kjh h LYS 152 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kjh h LYS 152 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kjh h LYS 152 CO -0.01 0.00 -1.22 0.00 -0.57 0.00 0.00 179.45 177.65 3kjh n ALA 153 N -1.92 3.52 -2.03 3.86 0.00 -0.08 -4.92 120.51 118.94 3kjh n ALA 153 Ca 0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 3kjh n ALA 153 Cb 0.21 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 3kjh n ALA 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kjh s VAL 154 N -3.23 3.29 0.10 0.00 1.01 -1.06 -4.60 120.40 115.91 3kjh s VAL 154 Ca 0.02 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.74 3kjh s VAL 154 Cb 0.14 -3.45 -0.23 0.00 0.00 0.00 0.00 36.38 32.85 3kjh s VAL 154 CO 0.84 -0.01 1.20 0.44 0.00 0.00 0.00 175.10 177.57 3kjh h ASP 155 N 8.21 0.11 -3.90 3.32 3.32 -0.81 -3.42 116.42 123.25 3kjh h ASP 155 Ca -0.41 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.53 3kjh h ASP 155 Cb 1.19 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.48 3kjh h ASP 155 CO 0.92 1.09 0.31 -0.32 -1.72 0.00 0.00 179.24 179.52 3kjh s MET 156 N -2.69 0.73 -0.19 3.56 1.75 -1.20 -4.47 119.30 116.78 3kjh s MET 156 Ca -0.01 0.62 -0.04 0.00 -1.25 0.00 0.00 55.69 55.01 3kjh s MET 156 Cb 0.09 0.35 -0.02 0.00 2.84 0.00 0.00 34.83 38.09 3kjh s MET 156 CO 0.84 -0.14 -0.02 1.41 -0.65 0.00 0.00 175.02 176.46 3kjh s MET 157 N -0.13 3.59 -0.25 4.11 1.75 -0.00 -2.22 119.30 126.16 3kjh s MET 157 Ca -0.01 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.84 3kjh s MET 157 Cb -0.04 -3.02 -0.00 0.00 2.84 0.00 0.00 34.83 34.61 3kjh s MET 157 CO 0.00 0.04 0.01 0.42 -0.65 0.00 0.00 175.02 174.84 3kjh s ILE 158 N 0.89 3.64 -0.21 10.11 1.01 0.72 -0.87 121.20 136.49 3kjh s ILE 158 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 3kjh s ILE 158 Cb -0.14 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 3kjh s ILE 158 CO 0.02 0.30 0.23 0.00 0.00 0.00 0.00 174.94 175.49 3kjh s ALA 159 N 1.49 3.61 -0.21 9.38 0.00 -0.19 -0.58 121.76 135.27 3kjh s ALA 159 Ca 0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 3kjh s ALA 159 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3kjh s ALA 159 CO -0.01 -0.08 0.04 0.08 0.00 0.00 0.00 175.76 175.79 3kjh s VAL 160 N 0.83 4.31 0.19 0.00 1.01 -0.25 -1.78 120.40 124.71 3kjh s VAL 160 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3kjh s VAL 160 Cb -0.13 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3kjh s VAL 160 CO 0.04 0.41 0.06 0.27 0.00 0.00 0.00 175.10 175.88 3kjh s ILE 161 N 0.96 0.40 0.18 2.22 -4.36 -1.00 -4.45 121.20 115.15 3kjh s ILE 161 Ca 0.03 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 3kjh s ILE 161 Cb -0.14 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.21 3kjh s ILE 161 CO 0.02 -0.25 0.22 -1.61 0.24 0.00 0.00 174.94 173.56 3kjh s GLU 162 N -4.02 3.15 -1.13 0.37 2.02 -1.26 -0.60 118.70 117.22 3kjh s GLU 162 Ca 0.31 -0.79 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 3kjh s GLU 162 Cb 0.07 -2.77 -0.07 0.00 0.10 0.00 0.00 34.13 31.46 3kjh s GLU 162 CO 0.08 0.48 2.23 -0.35 0.02 0.00 0.00 175.26 177.72 3kjh n PRO 163 N -0.64 2.37 -3.76 0.39 -0.04 -1.26 -4.26 135.00 127.81 3kjh n PRO 163 Ca -0.08 -1.99 -0.11 0.00 -0.04 0.00 0.00 63.50 61.28 3kjh n PRO 163 Cb 0.55 -2.87 -0.07 0.00 -0.04 0.00 0.00 33.50 31.07 3kjh n PRO 163 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kjh s ASN 164 N 3.64 -0.10 0.22 3.54 2.20 -1.26 -4.88 114.94 118.31 3kjh s ASN 164 Ca 0.52 -0.27 -0.15 0.00 -0.94 0.00 0.00 52.86 52.02 3kjh s ASN 164 Cb 0.14 0.36 0.25 0.00 -2.00 0.00 0.00 41.25 40.00 3kjh s ASN 164 CO -0.00 -0.65 1.59 -0.07 -2.94 0.00 0.00 177.10 175.03 3kjh h LEU 165 N 3.10 -0.99 -0.76 3.54 -0.00 -2.00 -0.75 115.31 117.46 3kjh h LEU 165 Ca -0.32 0.25 -0.07 0.00 -0.00 0.00 0.00 57.88 57.73 3kjh h LEU 165 Cb 1.20 0.56 -0.03 0.00 -0.00 0.00 0.00 40.66 42.40 3kjh h LEU 165 CO 0.47 -0.28 0.14 0.78 -0.00 0.00 0.00 178.44 179.56 3kjh h ASN 166 N -0.05 1.03 0.11 -0.43 2.35 -1.97 -2.15 115.58 114.46 3kjh h ASN 166 Ca 0.33 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 3kjh h ASN 166 Cb 0.58 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3kjh h ASN 166 CO -0.80 1.00 -0.55 -1.28 -1.65 0.00 0.00 177.43 174.15 3kjh h SER 167 N 1.03 0.52 -0.69 5.81 0.87 -1.63 -2.21 113.55 117.25 3kjh h SER 167 Ca 0.21 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3kjh h SER 167 Cb 0.39 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3kjh h SER 167 CO 0.01 0.96 0.30 0.40 -0.53 0.00 0.00 176.83 177.97 3kjh h ILE 168 N 0.36 1.24 -0.60 2.23 2.04 -1.01 -1.42 117.51 120.35 3kjh h ILE 168 Ca 0.01 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3kjh h ILE 168 Cb 1.07 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3kjh h ILE 168 CO 0.10 0.29 0.33 0.11 0.00 0.00 0.00 178.15 178.98 3kjh h LYS 169 N 0.96 0.83 -0.18 2.37 1.57 -1.24 -1.04 116.57 119.85 3kjh h LYS 169 Ca 0.23 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3kjh h LYS 169 Cb 0.17 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3kjh h LYS 169 CO -0.02 0.63 -0.05 1.15 -0.57 0.00 0.00 179.45 180.59 3kjh h THR 170 N 0.81 0.82 -0.83 -0.16 2.02 -0.89 -1.57 112.91 113.11 3kjh h THR 170 Ca 0.21 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.43 3kjh h THR 170 Cb 0.04 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3kjh h THR 170 CO -0.03 0.00 0.53 1.23 0.37 0.00 0.00 175.52 177.62 3kjh h GLY 171 N -0.00 1.21 1.93 2.16 0.00 -0.84 -0.73 103.07 106.80 3kjh h GLY 171 Ca 0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3kjh h GLY 171 CO -0.18 0.34 -0.19 1.41 0.00 0.00 0.00 176.54 177.91 3kjh h LEU 172 N 1.03 0.08 -0.35 3.11 3.38 -0.79 -0.30 115.31 121.47 3kjh h LEU 172 Ca 0.34 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.10 3kjh h LEU 172 Cb 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kjh h LEU 172 CO -0.12 0.29 -0.79 -1.13 0.09 0.00 0.00 178.44 176.77 3kjh h ASN 173 N 0.08 0.43 -0.42 -0.43 -1.24 -0.30 -1.22 115.58 112.48 3kjh h ASN 173 Ca 0.02 -0.31 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 3kjh h ASN 173 Cb 0.40 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 3kjh h ASN 173 CO 0.03 1.06 0.19 0.40 -1.29 0.00 0.00 177.43 177.82 3kjh h ILE 174 N 0.23 1.19 -0.51 2.57 2.04 -0.32 -1.07 117.51 121.63 3kjh h ILE 174 Ca -0.04 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3kjh h ILE 174 Cb 1.39 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3kjh h ILE 174 CO 0.13 0.21 0.25 -0.08 0.00 0.00 0.00 178.15 178.66 3kjh h GLU 175 N 0.54 0.71 0.03 2.37 4.81 -0.92 -0.76 114.58 121.35 3kjh h GLU 175 Ca 0.14 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kjh h GLU 175 Cb 0.15 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3kjh h GLU 175 CO -0.02 0.55 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.58 3kjh h LYS 176 N 0.71 -0.03 -0.81 1.92 1.63 -0.76 -1.68 116.57 117.54 3kjh h LYS 176 Ca 0.18 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3kjh h LYS 176 Cb 0.07 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3kjh h LYS 176 CO -0.03 0.25 0.41 -0.07 -3.45 0.00 0.00 179.45 176.57 3kjh h LEU 177 N -0.32 1.04 -0.39 5.20 3.38 -0.89 -1.19 115.31 122.14 3kjh h LEU 177 Ca -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3kjh h LEU 177 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kjh h LEU 177 CO 0.01 0.87 0.02 0.00 0.09 0.00 0.00 178.44 179.43 3kjh h ALA 178 N 1.22 0.52 -0.55 1.53 0.00 -1.13 -1.25 119.26 119.60 3kjh h ALA 178 Ca 0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kjh h ALA 178 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kjh h ALA 178 CO -0.04 0.27 0.20 0.78 0.00 0.00 0.00 179.25 180.46 3kjh h GLY 179 N 0.50 0.89 1.39 0.00 0.00 -1.13 0.13 103.07 104.85 3kjh h GLY 179 Ca 0.11 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kjh h GLY 179 CO 0.02 0.47 0.37 -0.55 0.00 0.00 0.00 176.54 176.85 3kjh h ASP 180 N 0.75 0.71 1.41 0.19 3.45 -1.05 0.04 116.42 121.92 3kjh h ASP 180 Ca 0.18 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3kjh h ASP 180 Cb 0.22 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3kjh h ASP 180 CO -0.01 0.54 0.00 0.25 -1.57 0.00 0.00 179.24 178.45 3kjh h LEU 181 N 0.83 0.00 0.00 1.55 5.85 -0.79 -3.47 115.31 119.28 3kjh h LEU 181 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3kjh h LEU 181 Cb -0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3kjh h LEU 181 CO -0.04 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.67 3kjh n GLY 182 N 0.72 1.09 3.71 3.75 0.00 0.00 -4.44 105.19 110.02 3kjh n GLY 182 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kjh n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjh s ILE 183 N -2.00 3.77 0.17 -0.61 1.01 0.33 -4.65 121.20 119.22 3kjh s ILE 183 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 3kjh s ILE 183 Cb 0.00 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.73 3kjh s ILE 183 CO 0.00 0.06 1.68 0.07 0.00 0.00 0.00 174.94 176.75 3kjh h LYS 184 N 7.11 0.90 -4.11 2.79 2.10 -1.82 -3.40 116.57 120.14 3kjh h LYS 184 Ca -0.40 -0.21 -0.42 0.00 -2.00 0.00 0.00 60.65 57.61 3kjh h LYS 184 Cb 1.20 -0.12 -0.34 0.00 -0.90 0.00 0.00 32.23 32.07 3kjh h LYS 184 CO 0.85 0.83 -0.78 0.15 -2.00 0.00 0.00 179.45 178.51 3kjh s LYS 185 N -5.34 0.97 -0.08 0.07 1.02 -1.26 -5.10 119.74 110.02 3kjh s LYS 185 Ca -0.13 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 55.75 3kjh s LYS 185 Cb 0.13 -0.92 -0.00 0.00 -0.52 0.00 0.00 37.83 36.51 3kjh s LYS 185 CO 0.81 -0.06 -0.23 0.08 -0.92 0.00 0.00 175.35 175.03 3kjh s VAL 186 N 0.85 1.94 0.10 3.17 1.01 -1.26 -0.82 120.40 125.39 3kjh s VAL 186 Ca -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.90 3kjh s VAL 186 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3kjh s VAL 186 CO 0.01 0.54 -0.07 -0.13 0.00 0.00 0.00 175.10 175.45 3kjh s ARG 187 N 0.13 0.82 0.10 2.72 1.81 -0.05 -4.96 118.95 119.53 3kjh s ARG 187 Ca -0.11 -1.30 0.09 0.00 -1.72 0.00 0.00 55.73 52.68 3kjh s ARG 187 Cb -0.16 -0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.08 3kjh s ARG 187 CO 0.06 -0.01 -0.17 0.71 -0.68 0.00 0.00 175.30 175.21 3kjh s TYR 188 N -3.46 2.55 -0.13 -0.53 2.02 0.11 -1.03 117.35 116.89 3kjh s TYR 188 Ca 0.10 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3kjh s TYR 188 Cb 0.04 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3kjh s TYR 188 CO -0.04 0.37 -0.13 0.08 -1.57 0.00 0.00 175.55 174.26 3kjh s VAL 189 N -1.12 1.43 -0.21 0.71 1.01 -0.74 0.21 120.40 121.69 3kjh s VAL 189 Ca 0.18 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3kjh s VAL 189 Cb -0.11 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3kjh s VAL 189 CO 0.10 0.43 0.43 -0.63 0.00 0.00 0.00 175.10 175.43 3kjh s ILE 190 N 1.46 5.17 0.27 2.22 -1.09 -0.67 -2.36 121.20 126.19 3kjh s ILE 190 Ca 0.03 0.77 0.11 0.00 -2.23 0.00 0.00 60.65 59.32 3kjh s ILE 190 Cb -0.13 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 3kjh s ILE 190 CO -0.09 0.22 -0.11 0.21 -1.23 0.00 0.00 174.94 173.94 3kjh s ASN 191 N 1.14 4.04 -1.37 3.58 3.04 0.23 0.19 114.94 125.80 3kjh s ASN 191 Ca 0.20 -0.83 -0.08 0.00 0.04 0.00 0.00 52.86 52.19 3kjh s ASN 191 Cb -0.15 -0.56 0.02 0.00 -1.54 0.00 0.00 41.25 39.02 3kjh s ASN 191 CO 0.09 0.03 1.11 0.29 -3.04 0.00 0.00 177.10 175.58 3kjh n LYS 192 N -0.68 -7.30 -2.49 0.43 5.02 -0.82 -4.12 118.16 108.19 3kjh n LYS 192 Ca -0.06 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 3kjh n LYS 192 Cb 0.59 -5.79 -0.03 0.00 -0.02 0.00 0.00 35.03 29.78 3kjh n LYS 192 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kjh s VAL 193 N -3.34 4.35 -0.15 -0.18 1.01 -0.99 -4.46 120.40 116.65 3kjh s VAL 193 Ca 0.50 1.65 0.16 0.00 0.00 0.00 0.00 61.98 64.30 3kjh s VAL 193 Cb -0.23 -4.06 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 3kjh s VAL 193 CO 0.75 -0.04 0.12 0.54 0.00 0.00 0.00 175.10 176.47 3kjh n ARG 194 N 5.52 1.06 -4.05 2.72 1.74 -1.26 -0.62 116.66 121.77 3kjh n ARG 194 Ca 0.11 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 3kjh n ARG 194 Cb 0.46 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 3kjh n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjh s ASN 195 N -4.97 -0.02 0.30 0.55 4.22 -1.26 -4.99 114.94 108.76 3kjh s ASN 195 Ca -0.08 -1.04 0.12 0.00 -2.14 0.00 0.00 52.86 49.71 3kjh s ASN 195 Cb 0.06 0.52 0.45 0.00 1.28 0.00 0.00 41.25 43.57 3kjh s ASN 195 CO 0.72 -1.05 1.66 0.40 -2.04 0.00 0.00 177.10 176.80 3kjh h ILE 196 N 2.37 1.35 -0.89 0.54 2.04 -2.00 -2.87 117.51 118.05 3kjh h ILE 196 Ca -0.29 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 63.69 3kjh h ILE 196 Cb 1.25 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 39.32 3kjh h ILE 196 CO 0.41 0.54 0.57 0.50 0.00 0.00 0.00 178.15 180.17 3kjh h LYS 197 N 0.00 1.08 -0.76 2.37 3.64 -1.99 -0.75 116.57 120.16 3kjh h LYS 197 Ca -0.01 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3kjh h LYS 197 Cb 1.00 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3kjh h LYS 197 CO 0.07 0.71 0.32 0.93 -2.27 0.00 0.00 179.45 179.22 3kjh h GLU 198 N 1.11 1.11 -0.53 1.90 5.08 -1.85 -0.87 114.58 120.53 3kjh h GLU 198 Ca 0.35 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3kjh h GLU 198 Cb 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3kjh h GLU 198 CO -0.12 0.88 0.11 0.93 -1.00 0.00 0.00 179.01 179.82 3kjh h GLU 199 N 1.09 0.81 -0.31 2.33 5.08 -1.15 -1.68 114.58 120.75 3kjh h GLU 199 Ca 0.26 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3kjh h GLU 199 Cb 0.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kjh h GLU 199 CO -0.03 0.74 -0.27 0.87 -1.00 0.00 0.00 179.01 179.32 3kjh h LYS 200 N 0.78 0.62 -0.53 2.33 1.57 -0.56 -1.71 116.57 119.07 3kjh h LYS 200 Ca 0.17 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3kjh h LYS 200 Cb 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3kjh h LYS 200 CO 0.00 0.83 0.25 1.25 -0.57 0.00 0.00 179.45 181.21 3kjh h LEU 201 N 0.54 0.70 0.17 2.94 5.85 -0.39 -1.19 115.31 123.93 3kjh h LEU 201 Ca 0.07 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kjh h LEU 201 Cb 0.75 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3kjh h LEU 201 CO 0.06 0.65 -0.09 0.40 -0.34 0.00 0.00 178.44 179.11 3kjh h ILE 202 N 0.71 0.80 -0.22 4.05 1.08 -1.10 -1.95 117.51 120.89 3kjh h ILE 202 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 3kjh h ILE 202 Cb 0.14 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3kjh h ILE 202 CO -0.02 0.00 0.18 0.11 -0.69 0.00 0.00 178.15 177.73 3kjh h LYS 203 N -0.25 0.00 -0.05 2.37 1.57 -1.10 0.15 116.57 119.26 3kjh h LYS 203 Ca -0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 3kjh h LYS 203 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kjh h LYS 203 CO 0.02 0.00 -0.84 -0.22 -0.57 0.00 0.00 179.45 177.84 3kjh h LYS 204 N 0.00 0.46 0.00 3.15 3.64 -0.47 -3.36 116.57 119.99 3kjh h LYS 204 Ca 0.10 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3kjh h LYS 204 Cb 0.46 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3kjh h LYS 204 CO -0.00 1.07 -1.51 0.72 -2.27 0.00 0.00 179.45 177.47 3kjh n HIS 205 N -3.81 0.00 -4.66 1.91 8.25 -0.75 -4.98 115.22 111.19 3kjh n HIS 205 Ca -0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 3kjh n HIS 205 Cb 0.78 -0.27 -0.15 0.00 1.12 0.00 0.00 29.99 31.47 3kjh n HIS 205 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kjh s LEU 206 N -3.79 2.09 0.16 2.41 1.43 0.44 -5.10 118.68 116.32 3kjh s LEU 206 Ca -0.01 -0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 52.40 3kjh s LEU 206 Cb 0.14 -0.83 -0.09 0.00 0.03 0.00 0.00 46.19 45.44 3kjh s LEU 206 CO 0.84 0.16 1.47 -2.84 0.23 0.00 0.00 176.35 176.21 3kjh s PRO 207 N -0.72 4.27 0.48 1.29 0.02 -1.26 -4.51 135.00 134.58 3kjh s PRO 207 Ca 0.06 2.23 0.23 0.00 0.02 0.00 0.00 61.00 63.54 3kjh s PRO 207 Cb -0.07 -3.18 1.24 0.00 0.02 0.00 0.00 34.50 32.51 3kjh s PRO 207 CO 0.00 -0.50 2.01 0.93 -0.33 0.00 0.00 177.00 179.11 3kjh h GLU 208 N 6.49 0.00 0.00 5.54 5.08 -1.93 -1.93 114.58 127.83 3kjh h GLU 208 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3kjh h GLU 208 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3kjh h GLU 208 CO 0.87 0.17 0.00 0.38 -1.00 0.00 0.00 179.01 179.43 3kjh h ASP 209 N 0.00 0.00 0.36 1.42 2.03 -2.03 -2.25 116.42 115.96 3kjh h ASP 209 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kjh h ASP 209 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 3kjh h ASP 209 CO 0.02 0.00 -0.20 0.29 -1.03 0.00 0.00 179.24 178.32 3kjh n LYS 210 N -2.91 0.64 -3.25 4.15 4.76 -0.73 -4.78 118.16 116.03 3kjh n LYS 210 Ca 0.01 -0.30 -0.42 0.00 -2.87 0.00 0.00 58.31 54.73 3kjh n LYS 210 Cb 0.31 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 3kjh n LYS 210 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kjh s ILE 211 N -2.57 5.01 0.16 -0.18 1.01 -0.85 -0.71 121.20 123.07 3kjh s ILE 211 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 3kjh s ILE 211 Cb 0.19 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3kjh s ILE 211 CO 0.52 -0.39 1.58 0.25 0.00 0.00 0.00 174.94 176.90 3kjh h LEU 212 N 9.20 0.97 -7.11 2.97 5.85 -0.55 -3.47 115.31 123.17 3kjh h LEU 212 Ca -0.27 -0.35 0.35 0.00 0.84 0.00 0.00 57.88 58.46 3kjh h LEU 212 Cb 1.11 -0.26 -0.14 0.00 0.37 0.00 0.00 40.66 41.74 3kjh h LEU 212 CO 0.81 1.09 0.91 -0.83 -0.34 0.00 0.00 178.44 180.07 3kjh s GLY 213 N -3.59 -0.44 -0.09 3.75 0.00 -1.23 -4.62 107.32 101.11 3kjh s GLY 213 Ca -0.12 0.92 0.04 0.00 0.00 0.00 0.00 44.72 45.56 3kjh s GLY 213 CO 0.85 0.19 -0.21 -0.42 0.00 0.00 0.00 173.10 173.51 3kjh s ILE 214 N -2.23 1.85 -0.25 0.90 1.01 -1.26 -1.66 121.20 119.55 3kjh s ILE 214 Ca 0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3kjh s ILE 214 Cb 0.06 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.95 3kjh s ILE 214 CO -0.05 0.51 -0.05 -0.63 0.00 0.00 0.00 174.94 174.72 3kjh s ILE 215 N 0.38 2.93 0.53 2.92 1.01 0.13 -4.96 121.20 124.13 3kjh s ILE 215 Ca -0.17 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 3kjh s ILE 215 Cb -0.17 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3kjh s ILE 215 CO 0.07 0.19 1.23 -2.84 0.00 0.00 0.00 174.94 173.60 3kjh s PRO 216 N 1.33 3.32 0.33 2.79 0.02 -1.26 -1.95 135.00 139.59 3kjh s PRO 216 Ca 0.00 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.65 3kjh s PRO 216 Cb -0.17 -2.20 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 3kjh s PRO 216 CO -0.04 -0.95 1.37 -0.47 -0.33 0.00 0.00 177.00 176.58 3kjh s TYR 217 N -1.50 2.93 -0.15 6.54 5.04 0.21 -4.56 117.35 125.86 3kjh s TYR 217 Ca 0.71 1.30 -0.00 0.00 -2.44 0.00 0.00 57.07 56.63 3kjh s TYR 217 Cb -0.32 -3.79 -0.01 0.00 0.35 0.00 0.00 41.96 38.19 3kjh s TYR 217 CO 0.37 -2.25 -0.13 1.21 -1.34 0.00 0.00 175.55 173.41 3kjh s ASN 218 N -0.28 3.89 0.29 4.32 2.47 -1.26 -4.91 114.94 119.46 3kjh s ASN 218 Ca 0.51 -0.39 0.09 0.00 0.42 0.00 0.00 52.86 53.50 3kjh s ASN 218 Cb -0.42 -1.60 0.44 0.00 -1.45 0.00 0.00 41.25 38.22 3kjh s ASN 218 CO 0.54 0.12 1.67 -0.08 -3.72 0.00 0.00 177.10 175.63 3kjh h GLU 219 N 7.03 0.07 -0.05 0.43 4.57 -2.02 -1.44 114.58 123.18 3kjh h GLU 219 Ca -0.29 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3kjh h GLU 219 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3kjh h GLU 219 CO 0.56 0.58 0.00 -0.11 -1.18 0.00 0.00 179.01 178.87 3kjh n LEU 220 N -3.92 0.33 -0.04 1.64 7.94 -1.26 -3.02 117.00 118.68 3kjh n LEU 220 Ca -0.02 -0.15 0.02 0.00 -1.11 0.00 0.00 56.01 54.75 3kjh n LEU 220 Cb 0.55 -0.03 -0.14 0.00 0.53 0.00 0.00 43.42 44.33 3kjh n LEU 220 CO 0.42 0.08 -0.86 0.33 -1.11 0.00 0.00 177.39 176.24 3kjh n PHE 221 N -0.44 0.00 0.03 1.96 7.35 -0.55 -3.11 117.46 122.69 3kjh n PHE 221 Ca 0.08 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.72 3kjh n PHE 221 Cb 0.08 -0.60 -0.10 0.00 0.35 0.00 0.00 39.48 39.21 3kjh n PHE 221 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3kjh h ILE 222 N 0.00 1.03 -0.25 -2.13 6.09 -1.45 -3.33 117.51 117.47 3kjh h ILE 222 Ca -0.20 -2.71 0.00 0.00 -1.37 0.00 0.00 64.86 60.58 3kjh h ILE 222 Cb 1.36 2.47 0.00 0.00 0.47 0.00 0.00 36.82 41.12 3kjh h ILE 222 CO 0.01 0.59 0.00 -0.62 -3.07 0.00 0.00 178.15 175.06 3kjh n GLU 223 N -3.13 2.80 -2.74 2.19 1.02 -1.21 -4.79 120.64 114.77 3kjh n GLU 223 Ca -0.08 -2.54 -0.03 0.00 -0.02 0.00 0.00 57.16 54.49 3kjh n GLU 223 Cb 0.94 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 30.76 3kjh n GLU 223 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3kjh s LEU 224 N -2.22 -0.95 -0.03 -4.62 2.96 -1.18 -5.00 118.68 107.64 3kjh s LEU 224 Ca 0.34 -1.10 0.11 0.00 -0.22 0.00 0.00 54.13 53.26 3kjh s LEU 224 Cb 0.26 1.25 0.20 0.00 0.50 0.00 0.00 46.19 48.39 3kjh s LEU 224 CO 0.10 -0.04 1.09 -0.24 -1.32 0.00 0.00 176.35 175.94 3kjh n SER 225 N 2.87 0.68 -1.29 3.68 2.88 -1.25 -4.30 113.62 116.88 3kjh n SER 225 Ca 0.15 -2.24 -0.02 0.00 -1.33 0.00 0.00 58.87 55.42 3kjh n SER 225 Cb 0.60 -0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 3kjh n SER 225 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3kjh n LEU 226 N -0.06 -0.20 0.01 2.46 4.32 -1.26 -4.97 117.00 117.30 3kjh n LEU 226 Ca 0.05 -2.07 0.00 0.00 -0.02 0.00 0.00 56.01 53.97 3kjh n LEU 226 Cb 0.84 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.65 3kjh n LEU 226 CO -0.01 1.12 0.00 1.17 -1.22 0.00 0.00 177.39 178.44 3kjh n LYS 227 N 0.12 0.00 -1.56 3.23 4.81 -1.26 -4.91 118.16 118.60 3kjh n LYS 227 Ca -0.14 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.02 3kjh n LYS 227 Cb 0.88 -0.01 -0.05 0.00 0.02 0.00 0.00 35.03 35.86 3kjh n LYS 227 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kjh n GLY 228 N 2.09 4.45 7.00 3.14 0.00 -1.26 -4.99 105.19 115.62 3kjh n GLY 228 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3kjh n GLY 228 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kjh n GLU 229 N 1.02 0.00 0.00 1.61 4.71 -1.26 -4.88 120.64 121.84 3kjh n GLU 229 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 3kjh n GLU 229 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 3kjh n GLU 229 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3kjh n GLU 230 N 14.00 0.00 0.00 3.49 -0.58 -1.26 -4.63 120.64 131.66 3kjh n GLU 230 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 3kjh n GLU 230 Cb 0.00 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.06 3kjh n GLU 230 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3kjh n ILE 231 N 0.00 0.99 1.22 -3.67 -5.35 -1.26 -2.24 119.36 109.05 3kjh n ILE 231 Ca 0.00 0.25 0.13 0.00 -0.27 0.00 0.00 62.75 62.86 3kjh n ILE 231 Cb 0.00 -1.12 0.36 0.00 -1.74 0.00 0.00 39.64 37.13 3kjh n ILE 231 CO 0.00 0.00 0.00 -2.67 -1.76 0.00 0.00 176.55 172.12 3kjh n TRP 232 N -1.33 0.00 -2.71 4.28 4.27 -1.26 -3.66 117.44 117.03 3kjh n TRP 232 Ca 0.03 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.25 3kjh n TRP 232 Cb 0.07 -0.12 -0.06 0.00 -1.36 0.00 0.00 31.31 29.83 3kjh n TRP 232 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 3kjh s GLN 233 N -2.53 4.71 0.10 -2.67 -0.21 -0.95 -4.93 119.66 113.17 3kjh s GLN 233 Ca 0.23 1.49 0.09 0.00 0.02 0.00 0.00 55.36 57.18 3kjh s GLN 233 Cb 0.19 -3.08 0.43 0.00 1.00 0.00 0.00 33.01 31.55 3kjh s GLN 233 CO 0.53 0.37 1.27 -1.13 -2.12 0.00 0.00 175.29 174.21 3kjh n SER 234 N 1.08 0.18 0.01 5.90 3.41 -1.26 -1.16 113.62 121.77 3kjh n SER 234 Ca -0.00 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3kjh n SER 234 Cb 0.48 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 3kjh n SER 234 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kjh n THR 235 N -1.73 0.04 -2.50 6.66 -2.24 -1.26 -4.94 114.28 108.31 3kjh n THR 235 Ca 0.00 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 3kjh n THR 235 Cb 0.04 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3kjh n THR 235 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kjh s ASN 236 N -3.36 7.27 0.63 3.42 3.84 -0.31 -4.94 114.94 121.50 3kjh s ASN 236 Ca 0.06 2.18 0.38 0.00 0.21 0.00 0.00 52.86 55.69 3kjh s ASN 236 Cb 0.16 -2.62 2.14 0.00 -0.55 0.00 0.00 41.25 40.38 3kjh s ASN 236 CO 0.82 -0.17 2.31 -0.65 -2.79 0.00 0.00 177.10 176.62 3kjh h PRO 237 N 4.45 0.00 -0.01 0.43 0.11 -1.92 -1.75 132.00 133.30 3kjh h PRO 237 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kjh h PRO 237 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kjh h PRO 237 CO 0.70 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.32 3kjh n ALA 238 N -2.19 2.90 -0.19 -0.75 0.00 -1.26 -4.52 120.51 114.50 3kjh n ALA 238 Ca -0.03 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 3kjh n ALA 238 Cb 0.09 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 3kjh n ALA 238 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3kjh h PHE 239 N 1.84 -1.71 -0.07 0.00 3.57 -1.38 0.37 116.94 119.56 3kjh h PHE 239 Ca 0.00 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3kjh h PHE 239 Cb 0.54 0.81 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 3kjh h PHE 239 CO 0.00 -0.45 0.02 0.28 -2.23 0.00 0.00 178.31 175.93 3kjh h VAL 240 N -0.31 1.18 -0.94 1.41 2.07 -1.82 -2.50 116.25 115.34 3kjh h VAL 240 Ca 0.09 -0.53 0.14 0.00 0.82 0.00 0.00 66.70 67.21 3kjh h VAL 240 Cb 0.54 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 3kjh h VAL 240 CO -0.65 0.15 0.56 -1.13 0.02 0.00 0.00 177.57 176.51 3kjh h ASN 241 N -0.08 0.77 -0.30 0.57 -1.24 -1.74 -0.28 115.58 113.28 3kjh h ASN 241 Ca 0.02 0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 3kjh h ASN 241 Cb 0.22 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3kjh h ASN 241 CO -0.00 0.37 0.06 0.25 -1.29 0.00 0.00 177.43 176.82 3kjh h LEU 242 N 0.83 0.53 -0.99 0.34 5.85 0.05 -1.94 115.31 119.98 3kjh h LEU 242 Ca 0.49 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 59.05 3kjh h LEU 242 Cb 0.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3kjh h LEU 242 CO -0.31 0.56 -0.36 0.45 -0.34 0.00 0.00 178.44 178.45 3kjh h HIS 243 N 0.56 0.00 -0.25 1.25 3.86 -0.64 -1.42 115.15 118.52 3kjh h HIS 243 Ca 0.13 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.20 3kjh h HIS 243 Cb 0.27 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kjh h HIS 243 CO 0.01 0.36 -0.39 0.22 0.86 0.00 0.00 177.93 178.98 3kjh h ASP 244 N 0.00 0.78 -0.74 2.45 -0.00 -0.82 -0.50 116.42 117.60 3kjh h ASP 244 Ca -0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 57.03 56.48 3kjh h ASP 244 Cb 0.86 -0.22 -0.03 0.00 -0.00 0.00 0.00 39.33 39.93 3kjh h ASP 244 CO 0.05 1.15 0.37 0.40 -0.00 0.00 0.00 179.24 181.20 3kjh h ILE 245 N 0.44 1.23 -0.46 2.25 2.04 -1.14 -1.61 117.51 120.27 3kjh h ILE 245 Ca 0.02 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3kjh h ILE 245 Cb 0.99 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3kjh h ILE 245 CO 0.09 0.27 0.11 0.22 0.00 0.00 0.00 178.15 178.84 3kjh h TYR 246 N 1.03 0.77 -0.81 1.37 3.20 -1.10 -1.97 116.97 119.46 3kjh h TYR 246 Ca 0.25 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kjh h TYR 246 Cb 0.09 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3kjh h TYR 246 CO 0.01 0.71 0.42 0.37 -1.64 0.00 0.00 178.16 178.03 3kjh h GLN 247 N 0.61 1.14 -0.74 1.82 4.15 -0.79 0.08 115.11 121.39 3kjh h GLN 247 Ca 0.14 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3kjh h GLN 247 Cb 0.33 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3kjh h GLN 247 CO 0.00 0.86 0.23 0.87 -1.93 0.00 0.00 178.83 178.86 3kjh h LYS 248 N 1.13 1.14 0.57 1.69 1.57 -1.13 -0.43 116.57 121.11 3kjh h LYS 248 Ca 0.28 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3kjh h LYS 248 Cb 0.06 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.21 3kjh h LYS 248 CO -0.04 0.97 -0.27 1.25 -0.57 0.00 0.00 179.45 180.78 3kjh h LEU 249 N 1.09 -0.65 -0.49 2.94 5.85 -0.91 0.63 115.31 123.78 3kjh h LEU 249 Ca 0.24 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.05 3kjh h LEU 249 Cb 0.30 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3kjh h LEU 249 CO -0.01 -0.44 0.08 0.03 -0.34 0.00 0.00 178.44 177.76 3kjh h ARG 250 N -0.79 0.20 -0.86 1.25 2.47 -0.80 -0.25 114.38 115.59 3kjh h ARG 250 Ca -0.08 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 3kjh h ARG 250 Cb 0.60 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 3kjh h ARG 250 CO 0.13 0.13 0.45 -0.07 0.56 0.00 0.00 179.97 181.17 3kjh h LEU 251 N 0.20 1.09 -0.38 3.04 3.38 -0.95 -0.98 115.31 120.71 3kjh h LEU 251 Ca 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kjh h LEU 251 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3kjh h LEU 251 CO -0.34 0.89 0.23 -0.33 0.09 0.00 0.00 178.44 178.98 3kjh h GLU 252 N 1.21 0.53 -0.06 1.13 4.39 0.31 -3.13 114.58 118.96 3kjh h GLU 252 Ca 0.30 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.77 3kjh h GLU 252 Cb 0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3kjh h GLU 252 CO -0.05 0.40 -0.73 0.28 -1.16 0.00 0.00 179.01 177.76 3kjh h VAL 253 N 0.50 1.40 0.00 3.13 2.07 -0.91 -3.51 116.25 118.93 3kjh h VAL 253 Ca 0.14 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.48 3kjh h VAL 253 Cb 0.02 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3kjh h VAL 253 CO -0.02 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.82