#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjg s LYS 2 N 0.00 1.37 0.02 2.12 -0.14 -1.26 -0.69 119.74 121.16 3kjg s LYS 2 Ca 0.00 -1.02 0.06 0.00 -1.36 0.00 0.00 55.97 53.65 3kjg s LYS 2 Cb 0.00 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 3kjg s LYS 2 CO 0.00 -0.69 -0.16 -0.51 -0.76 0.00 0.00 175.35 173.23 3kjg s LEU 3 N 1.43 2.70 -0.07 3.17 1.43 0.17 -0.98 118.68 126.53 3kjg s LEU 3 Ca -0.02 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3kjg s LEU 3 Cb -0.18 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3kjg s LEU 3 CO -0.09 0.27 -0.19 0.00 0.23 0.00 0.00 176.35 176.57 3kjg s ALA 4 N -0.91 1.77 -0.13 4.21 0.00 -0.82 -1.14 121.76 124.74 3kjg s ALA 4 Ca 0.15 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3kjg s ALA 4 Cb -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3kjg s ALA 4 CO 0.05 0.25 -0.20 0.08 0.00 0.00 0.00 175.76 175.93 3kjg s VAL 5 N 0.34 1.91 0.05 0.00 1.01 -0.12 0.16 120.40 123.75 3kjg s VAL 5 Ca -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3kjg s VAL 5 Cb -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3kjg s VAL 5 CO 0.06 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 3kjg s ALA 6 N 0.87 0.61 0.00 5.51 0.00 0.46 -0.65 121.76 128.56 3kjg s ALA 6 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kjg s ALA 6 Cb -0.15 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3kjg s ALA 6 CO -0.02 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3kjg n GLY 7 N 0.95 0.77 3.81 0.00 0.00 -1.13 -0.18 105.19 109.41 3kjg n GLY 7 Ca -0.19 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 3kjg n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kjg s LYS 8 N -2.00 4.14 0.14 1.61 2.20 -1.26 -2.87 119.74 121.69 3kjg s LYS 8 Ca 0.00 1.21 -0.34 0.00 -0.36 0.00 0.00 55.97 56.47 3kjg s LYS 8 Cb 0.00 -2.20 -0.16 0.00 -1.51 0.00 0.00 37.83 33.96 3kjg s LYS 8 CO 0.00 -0.12 1.25 0.41 -0.36 0.00 0.00 175.35 176.53 3kjg n GLY 9 N -0.44 0.25 0.74 5.54 0.00 -1.26 -1.87 105.19 108.14 3kjg n GLY 9 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3kjg n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjg n GLY 10 N 2.25 0.73 0.04 -0.02 0.00 -1.26 -4.89 105.19 102.04 3kjg n GLY 10 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3kjg n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kjg n VAL 11 N -2.00 0.21 -2.00 1.61 3.14 -0.78 -4.93 118.33 113.57 3kjg n VAL 11 Ca 0.00 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 3kjg n VAL 11 Cb 0.00 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 3kjg n VAL 11 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kjg n GLY 12 N 1.43 0.71 0.23 7.55 0.00 -1.26 -4.81 105.19 109.04 3kjg n GLY 12 Ca 0.06 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.48 3kjg n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kjg h LYS 13 N 0.00 0.00 -0.18 1.61 -0.00 -1.92 -2.07 116.57 114.01 3kjg h LYS 13 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.51 3kjg h LYS 13 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.14 3kjg h LYS 13 CO 0.00 0.06 -0.43 1.15 -0.00 0.00 0.00 179.45 180.23 3kjg h THR 14 N 0.00 1.33 -1.00 0.07 2.02 -1.95 -0.13 112.91 113.25 3kjg h THR 14 Ca -0.00 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.53 3kjg h THR 14 Cb 0.89 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 3kjg h THR 14 CO 0.01 0.52 0.66 0.74 0.37 0.00 0.00 175.52 177.81 3kjg h THR 15 N 0.27 1.18 -0.11 3.16 2.02 -1.93 0.40 112.91 117.91 3kjg h THR 15 Ca -0.00 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3kjg h THR 15 Cb 1.04 -0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3kjg h THR 15 CO 0.09 0.23 -0.05 0.58 0.37 0.00 0.00 175.52 176.74 3kjg h VAL 16 N 1.27 1.32 -0.52 3.16 2.07 -1.19 -1.95 116.25 120.42 3kjg h VAL 16 Ca 0.39 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3kjg h VAL 16 Cb -0.02 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3kjg h VAL 16 CO -0.12 0.31 0.32 0.00 0.02 0.00 0.00 177.57 178.10 3kjg h ALA 17 N 0.64 0.66 -0.73 1.67 0.00 -0.42 -0.52 119.26 120.57 3kjg h ALA 17 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kjg h ALA 17 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3kjg h ALA 17 CO 0.02 0.05 0.48 0.00 0.00 0.00 0.00 179.25 179.80 3kjg h ALA 18 N 1.21 0.92 -0.38 0.00 0.00 -0.19 -0.50 119.26 120.32 3kjg h ALA 18 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kjg h ALA 18 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3kjg h ALA 18 CO -0.07 0.33 0.13 0.78 0.00 0.00 0.00 179.25 180.42 3kjg h GLY 19 N 0.97 0.63 1.38 0.00 0.00 -0.83 -1.29 103.07 103.93 3kjg h GLY 19 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3kjg h GLY 19 CO -0.06 0.34 0.31 1.41 0.00 0.00 0.00 176.54 178.54 3kjg h LEU 20 N 0.47 0.72 0.03 3.11 3.38 -0.69 -1.76 115.31 120.58 3kjg h LEU 20 Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kjg h LEU 20 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kjg h LEU 20 CO -0.01 0.59 -0.02 0.40 0.09 0.00 0.00 178.44 179.50 3kjg h ILE 21 N 0.82 1.15 -0.71 1.22 2.04 -0.66 -1.52 117.51 119.85 3kjg h ILE 21 Ca 0.21 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.57 3kjg h ILE 21 Cb 0.04 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 3kjg h ILE 21 CO -0.03 0.15 0.36 0.11 0.00 0.00 0.00 178.15 178.73 3kjg h LYS 22 N -0.30 0.60 0.32 2.37 1.79 -0.95 -0.21 116.57 120.19 3kjg h LYS 22 Ca -0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3kjg h LYS 22 Cb 0.28 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3kjg h LYS 22 CO 0.01 0.40 -0.15 0.82 -1.08 0.00 0.00 179.45 179.44 3kjg h ILE 23 N 0.62 0.71 0.00 1.86 2.04 -1.20 -2.88 117.51 118.65 3kjg h ILE 23 Ca 0.34 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3kjg h ILE 23 Cb 0.34 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3kjg h ILE 23 CO -0.26 0.06 0.00 1.15 0.00 0.00 0.00 178.15 179.10 3kjg n MET 24 N -5.21 0.18 -0.26 2.37 0.00 -0.58 -3.05 117.12 110.57 3kjg n MET 24 Ca -0.10 0.42 0.17 0.00 0.00 0.00 0.00 57.70 58.19 3kjg n MET 24 Cb 0.23 -1.84 0.47 0.00 0.00 0.00 0.00 33.22 32.07 3kjg n MET 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kjg h ALA 25 N 2.27 2.08 -0.00 3.17 0.00 -0.81 0.15 119.26 126.12 3kjg h ALA 25 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kjg h ALA 25 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kjg h ALA 25 CO 0.00 -0.37 -0.10 -1.13 0.00 0.00 0.00 179.25 177.65 3kjg n SER 26 N -4.55 0.59 -0.00 0.00 3.41 -1.17 -3.79 113.62 108.12 3kjg n SER 26 Ca 0.19 -0.73 0.08 0.00 -0.26 0.00 0.00 58.87 58.14 3kjg n SER 26 Cb 0.64 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 3kjg n SER 26 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kjg n ASP 27 N -0.81 0.93 -4.28 4.04 8.00 0.48 -4.99 116.55 119.91 3kjg n ASP 27 Ca 0.15 -0.58 -0.22 0.00 0.71 0.00 0.00 54.79 54.86 3kjg n ASP 27 Cb 0.28 1.25 -0.12 0.00 -0.02 0.00 0.00 41.12 42.51 3kjg n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kjg s TYR 28 N -2.69 1.70 -1.28 1.24 1.51 -0.95 -5.02 117.35 111.86 3kjg s TYR 28 Ca 0.02 -0.45 0.22 0.00 -1.01 0.00 0.00 57.07 55.85 3kjg s TYR 28 Cb 0.11 -0.91 1.06 0.00 -0.11 0.00 0.00 41.96 42.11 3kjg s TYR 28 CO 0.65 0.22 1.72 -0.40 -1.11 0.00 0.00 175.55 176.63 3kjg n ASP 29 N 0.84 0.00 -3.64 2.29 5.68 -1.26 -4.79 116.55 115.68 3kjg n ASP 29 Ca -0.18 0.15 -0.08 0.00 -0.50 0.00 0.00 54.79 54.19 3kjg n ASP 29 Cb 0.55 -0.36 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 3kjg n ASP 29 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3kjg s LYS 30 N -2.72 0.41 -0.04 0.11 2.47 -1.26 -4.79 119.74 113.92 3kjg s LYS 30 Ca 0.17 0.47 0.01 0.00 -1.56 0.00 0.00 55.97 55.07 3kjg s LYS 30 Cb 0.15 0.20 0.02 0.00 -1.46 0.00 0.00 37.83 36.73 3kjg s LYS 30 CO 0.36 -0.05 -0.04 0.42 0.16 0.00 0.00 175.35 176.20 3kjg s ILE 31 N 0.15 0.48 -0.52 5.43 1.01 0.11 -3.40 121.20 124.46 3kjg s ILE 31 Ca 0.04 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 3kjg s ILE 31 Cb -0.05 -0.50 0.07 0.00 0.01 0.00 0.00 42.46 41.99 3kjg s ILE 31 CO -0.08 0.20 0.58 -0.31 0.00 0.00 0.00 174.94 175.33 3kjg s TYR 32 N 0.75 3.09 -0.40 3.97 2.02 -0.24 0.31 117.35 126.85 3kjg s TYR 32 Ca -0.10 -0.75 -0.23 0.00 -0.37 0.00 0.00 57.07 55.63 3kjg s TYR 32 Cb -0.13 -3.56 0.02 0.00 -0.40 0.00 0.00 41.96 37.89 3kjg s TYR 32 CO 0.00 -1.03 0.75 0.00 -1.57 0.00 0.00 175.55 173.70 3kjg s ALA 33 N 2.36 3.37 -0.31 3.71 0.00 0.13 -1.60 121.76 129.43 3kjg s ALA 33 Ca 0.11 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3kjg s ALA 33 Cb -0.22 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3kjg s ALA 33 CO 0.09 -1.66 0.08 0.08 0.00 0.00 0.00 175.76 174.35 3kjg s VAL 34 N 3.10 3.79 -0.72 0.00 1.01 -0.39 -1.05 120.40 126.14 3kjg s VAL 34 Ca 0.29 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 3kjg s VAL 34 Cb -0.13 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.24 3kjg s VAL 34 CO 0.19 -0.03 1.22 -0.62 0.00 0.00 0.00 175.10 175.85 3kjg s ASP 35 N 1.44 6.16 -0.19 3.32 -1.08 0.43 -1.93 116.67 124.82 3kjg s ASP 35 Ca 0.00 -0.56 0.15 0.00 -0.52 0.00 0.00 52.55 51.62 3kjg s ASP 35 Cb -0.18 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.51 3kjg s ASP 35 CO 0.02 -1.76 1.66 0.61 0.52 0.00 0.00 175.17 176.23 3kjg n GLY 36 N 5.37 2.82 2.69 2.66 0.00 -0.61 -2.00 105.19 116.11 3kjg n GLY 36 Ca 0.02 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 3kjg n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjg s ASP 37 N -0.78 2.14 0.42 1.61 3.68 -1.26 -4.46 116.67 118.03 3kjg s ASP 37 Ca 0.51 -0.44 0.22 0.00 2.13 0.00 0.00 52.55 54.96 3kjg s ASP 37 Cb 0.37 -0.36 0.88 0.00 -1.45 0.00 0.00 42.92 42.36 3kjg s ASP 37 CO 0.18 -0.29 1.82 -0.65 0.13 0.00 0.00 175.17 176.36 3kjg h PRO 38 N 8.36 0.00 0.00 4.34 0.11 -1.89 -3.19 132.00 139.73 3kjg h PRO 38 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3kjg h PRO 38 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kjg h PRO 38 CO 0.27 0.28 0.00 -0.25 -0.21 0.00 0.00 178.00 178.09 3kjg n ASP 39 N -3.52 0.00 -3.90 -2.05 8.00 -1.26 -4.72 116.55 109.10 3kjg n ASP 39 Ca -0.00 0.49 -0.11 0.00 0.71 0.00 0.00 54.79 55.88 3kjg n ASP 39 Cb 0.44 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 3kjg n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kjg s SER 40 N -2.99 0.07 -0.44 -2.24 0.01 -1.21 -5.10 113.70 101.80 3kjg s SER 40 Ca 0.09 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 56.98 3kjg s SER 40 Cb 0.11 0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.57 3kjg s SER 40 CO 0.31 -0.28 0.35 0.00 0.41 0.00 0.00 173.24 174.03 3kjg h LEU 42 N 8.67 0.87 -0.11 0.00 6.46 -1.94 -1.78 115.31 127.48 3kjg h LEU 42 Ca -0.27 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.20 3kjg h LEU 42 Cb 1.11 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 3kjg h LEU 42 CO 0.82 0.96 -0.03 1.23 -0.62 0.00 0.00 178.44 180.80 3kjg h GLY 43 N 0.76 0.08 1.00 3.75 0.00 -1.95 0.19 103.07 106.89 3kjg h GLY 43 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3kjg h GLY 43 CO 0.03 -0.04 0.35 1.46 0.00 0.00 0.00 176.54 178.33 3kjg h GLN 44 N -0.00 0.87 0.00 4.80 4.20 -1.69 -0.67 115.11 122.61 3kjg h GLN 44 Ca 0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3kjg h GLN 44 Cb 0.08 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3kjg h GLN 44 CO -0.11 0.65 -0.07 1.15 -0.67 0.00 0.00 178.83 179.77 3kjg h THR 45 N 0.85 0.44 -0.01 -0.54 2.02 -0.89 0.17 112.91 114.95 3kjg h THR 45 Ca 0.22 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3kjg h THR 45 Cb 0.03 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3kjg h THR 45 CO -0.04 0.07 -0.02 -0.11 0.37 0.00 0.00 175.52 175.79 3kjg n LEU 46 N -3.56 0.84 0.00 2.58 7.94 0.64 -4.82 117.00 120.61 3kjg n LEU 46 Ca -0.02 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 3kjg n LEU 46 Cb 0.19 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3kjg n LEU 46 CO 0.28 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.31 3kjg n GLY 47 N 1.13 0.69 3.78 -3.96 0.00 0.61 -5.05 105.19 102.39 3kjg n GLY 47 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3kjg n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjg s LEU 48 N 0.00 4.14 0.90 0.99 1.43 -0.39 -4.96 118.68 120.79 3kjg s LEU 48 Ca 0.00 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 3kjg s LEU 48 Cb 0.00 -4.17 0.13 0.00 0.03 0.00 0.00 46.19 42.18 3kjg s LEU 48 CO 0.00 -0.51 1.09 -0.94 0.23 0.00 0.00 176.35 176.22 3kjg s SER 49 N -1.54 3.39 0.36 2.29 1.04 -1.26 -4.12 113.70 113.86 3kjg s SER 49 Ca 0.58 1.57 0.07 0.00 0.48 0.00 0.00 55.95 58.64 3kjg s SER 49 Cb -0.23 -2.24 0.68 0.00 0.10 0.00 0.00 66.02 64.34 3kjg s SER 49 CO 0.28 -2.70 1.89 -0.29 0.98 0.00 0.00 173.24 173.40 3kjg h ILE 50 N -1.59 1.19 -0.45 -1.02 2.10 -1.97 -1.80 117.51 113.97 3kjg h ILE 50 Ca -0.49 -0.80 -0.12 0.00 1.08 0.00 0.00 64.86 64.54 3kjg h ILE 50 Cb 1.28 1.08 -0.02 0.00 -1.09 0.00 0.00 36.82 38.07 3kjg h ILE 50 CO 0.53 0.26 -0.18 -0.33 -1.08 0.00 0.00 178.15 177.35 3kjg h GLU 51 N 0.37 0.88 0.00 2.19 3.07 -2.00 -2.08 114.58 117.03 3kjg h GLU 51 Ca 0.08 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.49 3kjg h GLU 51 Cb 0.36 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3kjg h GLU 51 CO 0.02 0.99 -0.46 0.93 -1.40 0.00 0.00 179.01 179.09 3kjg h GLU 52 N 0.77 0.00 0.06 2.33 5.08 -1.80 -2.83 114.58 118.19 3kjg h GLU 52 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3kjg h GLU 52 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3kjg h GLU 52 CO 0.06 0.46 -0.03 0.00 -1.00 0.00 0.00 179.01 178.50 3kjg h ALA 53 N 1.54 -0.07 0.00 3.43 0.00 -1.06 -3.28 119.26 119.82 3kjg h ALA 53 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kjg h ALA 53 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kjg h ALA 53 CO 0.06 -0.23 0.00 0.10 0.00 0.00 0.00 179.25 179.18 3kjg h TYR 54 N -0.70 0.00 0.00 0.00 -0.00 -1.42 -1.62 116.97 113.22 3kjg h TYR 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 3kjg h TYR 54 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.32 3kjg h TYR 54 CO 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.28 3kjg n ALA 55 N -1.88 1.68 -3.15 0.10 0.00 -1.07 -4.00 120.51 112.20 3kjg n ALA 55 Ca 0.03 0.03 -0.46 0.00 0.00 0.00 0.00 53.44 53.04 3kjg n ALA 55 Cb 0.32 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3kjg n ALA 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kjg s ILE 56 N -3.18 5.19 -0.06 0.00 1.01 -0.61 -5.01 121.20 118.54 3kjg s ILE 56 Ca 0.06 -1.98 -0.37 0.00 0.00 0.00 0.00 60.65 58.36 3kjg s ILE 56 Cb 0.10 -4.59 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 3kjg s ILE 56 CO 0.35 -1.22 1.61 0.41 0.00 0.00 0.00 174.94 176.09 3kjg n THR 57 N 4.72 0.21 -1.76 2.92 -1.04 -1.26 -4.77 114.28 113.31 3kjg n THR 57 Ca 0.15 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 3kjg n THR 57 Cb 0.47 -1.26 0.01 0.00 -1.82 0.00 0.00 70.33 67.73 3kjg n THR 57 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kjg n PRO 58 N 4.38 2.39 -0.33 -2.82 -0.02 -1.26 -4.69 135.00 132.64 3kjg n PRO 58 Ca 0.22 0.84 0.10 0.00 -2.02 0.00 0.00 63.50 62.65 3kjg n PRO 58 Cb 0.20 -2.60 0.28 0.00 -0.02 0.00 0.00 33.50 31.36 3kjg n PRO 58 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kjg h LEU 59 N 2.57 0.70 -1.67 2.45 4.07 0.19 -0.67 115.31 122.95 3kjg h LEU 59 Ca -0.50 0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.51 3kjg h LEU 59 Cb 1.26 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 3kjg h LEU 59 CO 0.62 0.27 -0.19 -0.29 -1.08 0.00 0.00 178.44 177.77 3kjg h ILE 60 N 0.73 0.79 -0.57 1.22 6.09 -1.44 -2.64 117.51 121.68 3kjg h ILE 60 Ca 0.53 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 3kjg h ILE 60 Cb 0.78 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.52 3kjg h ILE 60 CO -0.37 0.18 0.00 1.21 -3.07 0.00 0.00 178.15 176.11 3kjg n GLU 61 N -3.81 3.70 -1.95 2.19 4.07 -0.27 -4.57 120.64 120.01 3kjg n GLU 61 Ca -0.02 -2.64 -0.37 0.00 -0.06 0.00 0.00 57.16 54.08 3kjg n GLU 61 Cb 0.29 -1.92 -0.01 0.00 -0.06 0.00 0.00 31.44 29.74 3kjg n GLU 61 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3kjg n MET 62 N 0.91 4.05 -0.31 5.31 2.81 -1.00 -4.86 117.12 124.04 3kjg n MET 62 Ca 0.24 -3.35 -0.08 0.00 -1.81 0.00 0.00 57.70 52.70 3kjg n MET 62 Cb 0.88 -2.46 -0.07 0.00 -0.71 0.00 0.00 33.22 30.86 3kjg n MET 62 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3kjg n LYS 63 N 1.12 -0.32 -0.12 0.03 4.01 -1.26 -1.23 118.16 120.39 3kjg n LYS 63 Ca 0.56 1.20 -0.05 0.00 -0.51 0.00 0.00 58.31 59.51 3kjg n LYS 63 Cb 0.33 -1.76 0.01 0.00 -0.51 0.00 0.00 35.03 33.09 3kjg n LYS 63 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3kjg h ASP 64 N 0.00 -0.66 -0.51 4.39 3.45 -2.00 -1.32 116.42 119.76 3kjg h ASP 64 Ca 0.12 0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.69 3kjg h ASP 64 Cb 0.30 0.36 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 3kjg h ASP 64 CO -0.69 -0.23 0.17 -0.08 -1.57 0.00 0.00 179.24 176.84 3kjg h GLU 65 N -0.12 0.85 0.61 3.56 4.57 -1.75 -2.72 114.58 119.58 3kjg h GLU 65 Ca 0.20 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3kjg h GLU 65 Cb 0.42 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3kjg h GLU 65 CO -0.48 0.74 -0.29 0.82 -1.18 0.00 0.00 179.01 178.62 3kjg h ILE 66 N 0.82 0.00 -0.66 2.32 2.04 -0.11 -1.66 117.51 120.26 3kjg h ILE 66 Ca 0.19 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 66.09 3kjg h ILE 66 Cb 0.26 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3kjg h ILE 66 CO -0.01 0.00 0.44 0.08 0.00 0.00 0.00 178.15 178.67 3kjg h ARG 67 N -0.90 0.33 0.12 2.37 0.11 -1.34 -1.25 114.38 113.81 3kjg h ARG 67 Ca -0.08 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.97 3kjg h ARG 67 Cb 0.63 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3kjg h ARG 67 CO 0.14 0.22 -0.06 1.49 0.10 0.00 0.00 179.97 181.86 3kjg h GLU 68 N 0.34 -0.15 -0.13 0.08 4.81 -1.41 -3.03 114.58 115.08 3kjg h GLU 68 Ca 0.31 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.59 3kjg h GLU 68 Cb 0.77 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3kjg h GLU 68 CO -0.08 -0.10 0.58 0.87 -0.73 0.00 0.00 179.01 179.54 3kjg h LYS 69 N -0.20 0.00 -0.63 1.92 1.79 -1.02 -1.10 116.57 117.33 3kjg h LYS 69 Ca -0.02 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.02 3kjg h LYS 69 Cb 0.12 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.49 3kjg h LYS 69 CO 0.03 0.00 -0.27 0.25 -1.08 0.00 0.00 179.45 178.38 3kjg n THR 70 N -2.93 2.73 -0.90 -0.16 -2.24 -0.50 -4.70 114.28 105.58 3kjg n THR 70 Ca 0.02 -3.49 0.00 0.00 -2.27 0.00 0.00 64.05 58.31 3kjg n THR 70 Cb 0.65 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3kjg n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjg n GLY 71 N -0.90 -3.79 3.32 3.38 0.00 -0.42 -3.26 105.19 103.52 3kjg n GLY 71 Ca 0.43 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3kjg n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjg s ASP 72 N -3.34 3.34 0.04 1.61 -1.08 -1.25 -4.64 116.67 111.34 3kjg s ASP 72 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 3kjg s ASP 72 Cb 0.00 -0.87 0.00 0.00 -1.46 0.00 0.00 42.92 40.59 3kjg s ASP 72 CO 0.00 0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.56 3kjg n GLY 73 N 2.83 1.26 0.09 2.66 0.00 -1.26 -4.49 105.19 106.28 3kjg n GLY 73 Ca -0.17 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3kjg n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjg n GLY 74 N 0.00 -0.68 3.76 -0.02 0.00 -1.26 -5.00 105.19 101.99 3kjg n GLY 74 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3kjg n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjg s LEU 75 N -7.95 3.52 -0.07 0.99 1.02 -1.26 -5.06 118.68 109.87 3kjg s LEU 75 Ca -0.26 2.15 -0.00 0.00 0.02 0.00 0.00 54.13 56.04 3kjg s LEU 75 Cb 0.05 -4.57 0.02 0.00 0.02 0.00 0.00 46.19 41.71 3kjg s LEU 75 CO 0.39 -1.60 -0.04 -0.22 0.02 0.00 0.00 176.35 174.90 3kjg s LEU 76 N -4.50 1.03 -0.06 1.79 2.96 -1.26 -4.08 118.68 114.55 3kjg s LEU 76 Ca 0.71 -0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 54.21 3kjg s LEU 76 Cb -0.24 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 3kjg s LEU 76 CO 0.37 -0.12 0.75 -0.63 -1.32 0.00 0.00 176.35 175.40 3kjg s ILE 77 N 1.51 5.01 -0.15 6.68 1.01 -1.20 -4.96 121.20 129.10 3kjg s ILE 77 Ca -0.01 1.56 -0.25 0.00 0.00 0.00 0.00 60.65 61.95 3kjg s ILE 77 Cb -0.13 -4.09 -0.22 0.00 0.01 0.00 0.00 42.46 38.03 3kjg s ILE 77 CO -0.04 0.22 0.60 -0.07 0.00 0.00 0.00 174.94 175.65 3kjg h LEU 78 N 6.86 0.00 -6.59 2.97 3.38 -1.94 -3.41 115.31 116.59 3kjg h LEU 78 Ca -0.40 -0.81 -0.66 0.00 0.09 0.00 0.00 57.88 56.09 3kjg h LEU 78 Cb 1.20 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.57 3kjg h LEU 78 CO 0.76 1.02 -0.21 0.59 0.09 0.00 0.00 178.44 180.69 3kjg n ASN 79 N -4.60 4.38 -4.61 -0.43 3.02 -1.26 -4.92 115.26 106.84 3kjg n ASN 79 Ca -0.12 -3.38 -0.41 0.00 -0.03 0.00 0.00 54.58 50.63 3kjg n ASN 79 Cb 0.46 -0.87 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 3kjg n ASN 79 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3kjg n PRO 80 N 1.24 1.35 -3.02 3.52 -0.02 -1.26 -4.97 135.00 131.84 3kjg n PRO 80 Ca 0.27 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 3kjg n PRO 80 Cb 0.38 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 3kjg n PRO 80 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kjg s LYS 81 N -1.99 4.33 0.00 -0.52 2.47 -1.26 -4.87 119.74 117.90 3kjg s LYS 81 Ca 0.63 0.84 0.00 0.00 -1.56 0.00 0.00 55.97 55.88 3kjg s LYS 81 Cb -0.56 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.28 3kjg s LYS 81 CO 0.57 -0.15 0.00 1.33 0.16 0.00 0.00 175.35 177.26 3kjg n VAL 82 N 4.34 0.00 -0.07 4.02 0.24 -1.26 -4.90 118.33 120.70 3kjg n VAL 82 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.34 62.51 3kjg n VAL 82 Cb 0.50 0.83 0.66 0.00 -1.47 0.00 0.00 33.84 34.36 3kjg n VAL 82 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kjg h ASP 83 N 0.00 0.08 1.45 -1.34 3.04 -1.89 0.16 116.42 117.93 3kjg h ASP 83 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 3kjg h ASP 83 Cb 0.18 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 3kjg h ASP 83 CO 0.00 0.04 0.00 1.23 -2.04 0.00 0.00 179.24 178.47 3kjg h GLY 84 N 0.09 0.00 -1.72 7.15 0.00 -2.00 -3.31 103.07 103.27 3kjg h GLY 84 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3kjg h GLY 84 CO -0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.73 3kjg n ASP 85 N -2.31 3.01 -0.31 0.19 10.43 0.04 -4.72 116.55 122.88 3kjg n ASP 85 Ca 0.05 -1.88 0.08 0.00 2.57 0.00 0.00 54.79 55.61 3kjg n ASP 85 Cb 0.42 -0.21 0.24 0.00 1.84 0.00 0.00 41.12 43.41 3kjg n ASP 85 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3kjg h LEU 86 N 3.24 0.59 0.00 0.64 3.38 -1.63 -1.58 115.31 119.93 3kjg h LEU 86 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kjg h LEU 86 Cb 0.80 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kjg h LEU 86 CO 0.00 0.24 0.00 0.47 0.09 0.00 0.00 178.44 179.24 3kjg n ASP 87 N -4.84 0.00 -0.08 -0.43 8.00 -1.26 -0.86 116.55 117.08 3kjg n ASP 87 Ca 0.18 -0.56 0.06 0.00 0.71 0.00 0.00 54.79 55.18 3kjg n ASP 87 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 3kjg n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kjg n LYS 88 N -0.75 2.49 -0.45 -1.24 5.02 -0.60 -4.39 118.16 118.24 3kjg n LYS 88 Ca 0.04 -0.19 0.10 0.00 -2.02 0.00 0.00 58.31 56.24 3kjg n LYS 88 Cb 0.02 -1.13 0.32 0.00 -0.02 0.00 0.00 35.03 34.21 3kjg n LYS 88 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3kjg n TYR 89 N -1.01 1.13 -2.73 2.13 4.01 -0.04 -4.99 117.16 115.66 3kjg n TYR 89 Ca 0.03 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.27 3kjg n TYR 89 Cb 0.22 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3kjg n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kjg n GLY 90 N 1.36 2.25 3.02 2.72 0.00 -1.25 -4.58 105.19 108.71 3kjg n GLY 90 Ca 0.23 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 3kjg n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjg s ARG 91 N -1.11 0.55 0.22 1.61 1.81 -1.00 -4.97 118.95 116.05 3kjg s ARG 91 Ca 0.00 -0.46 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 3kjg s ARG 91 Cb 0.00 -0.46 -0.08 0.00 -0.45 0.00 0.00 34.95 33.95 3kjg s ARG 91 CO 0.00 0.11 1.03 0.71 -0.68 0.00 0.00 175.30 176.47 3kjg s TYR 92 N -0.64 3.76 -0.02 -0.53 2.02 -1.26 -0.87 117.35 119.81 3kjg s TYR 92 Ca -0.02 1.77 -0.06 0.00 -0.37 0.00 0.00 57.07 58.39 3kjg s TYR 92 Cb -0.06 -3.14 -0.29 0.00 -0.40 0.00 0.00 41.96 38.07 3kjg s TYR 92 CO 0.00 -0.10 0.78 0.82 -1.57 0.00 0.00 175.55 175.48 3kjg h ILE 93 N 3.36 1.06 -0.33 2.71 2.04 -0.21 -3.47 117.51 122.67 3kjg h ILE 93 Ca -0.45 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 62.74 3kjg h ILE 93 Cb 1.21 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 3kjg h ILE 93 CO 0.69 0.83 0.00 -0.90 0.00 0.00 0.00 178.15 178.77 3kjg n ASP 94 N -3.51 0.00 0.00 1.72 5.68 -1.24 -5.02 116.55 114.18 3kjg n ASP 94 Ca -0.20 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.23 3kjg n ASP 94 Cb 1.06 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.81 3kjg n ASP 94 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kjg n ASP 95 N 0.00 0.00 0.00 -1.12 5.75 -1.26 -4.22 116.55 115.70 3kjg n ASP 95 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 3kjg n ASP 95 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3kjg n ASP 95 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kjg n LYS 96 N -1.16 0.00 -3.23 0.11 4.76 -1.26 -4.88 118.16 112.50 3kjg n LYS 96 Ca 0.17 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.20 3kjg n LYS 96 Cb 0.17 -0.86 -0.08 0.00 -1.84 0.00 0.00 35.03 32.42 3kjg n LYS 96 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kjg s ILE 97 N -1.73 5.03 -0.26 -0.18 1.01 -1.26 0.03 121.20 123.86 3kjg s ILE 97 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 3kjg s ILE 97 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3kjg s ILE 97 CO 0.00 -0.06 0.07 0.12 0.00 0.00 0.00 174.94 175.07 3kjg s PHE 98 N 2.38 3.09 -0.20 3.97 2.19 0.15 0.61 117.98 130.16 3kjg s PHE 98 Ca 0.20 -0.52 -0.10 0.00 0.33 0.00 0.00 56.93 56.84 3kjg s PHE 98 Cb -0.15 -2.24 -0.05 0.00 -1.31 0.00 0.00 43.02 39.27 3kjg s PHE 98 CO 0.11 -0.40 0.12 -1.17 1.83 0.00 0.00 175.22 175.71 3kjg s LEU 99 N 1.59 4.13 -0.08 6.12 2.96 -0.05 0.22 118.68 133.58 3kjg s LEU 99 Ca 0.06 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3kjg s LEU 99 Cb -0.15 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3kjg s LEU 99 CO 0.03 0.16 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.41 3kjg s ILE 100 N 0.46 1.62 -0.26 6.68 1.01 -0.21 -2.38 121.20 128.11 3kjg s ILE 100 Ca 0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3kjg s ILE 100 Cb -0.12 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3kjg s ILE 100 CO -0.01 0.46 0.02 -0.13 0.00 0.00 0.00 174.94 175.29 3kjg s ARG 101 N 0.40 3.19 0.04 2.79 0.52 -1.26 -0.43 118.95 124.20 3kjg s ARG 101 Ca -0.15 -0.77 -0.26 0.00 -0.52 0.00 0.00 55.73 54.03 3kjg s ARG 101 Cb -0.16 -3.21 -0.17 0.00 0.52 0.00 0.00 34.95 31.93 3kjg s ARG 101 CO 0.06 -0.34 1.45 0.52 0.02 0.00 0.00 175.30 177.00 3kjg h MET 102 N 8.16 -0.38 0.00 3.54 2.86 -1.77 0.44 114.93 127.79 3kjg h MET 102 Ca -0.35 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3kjg h MET 102 Cb 1.14 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3kjg h MET 102 CO 0.59 -0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.85 3kjg n GLY 103 N -0.71 1.07 3.71 8.32 0.00 -1.26 -1.29 105.19 115.03 3kjg n GLY 103 Ca -0.10 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3kjg n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjg s GLU 104 N -3.30 4.42 0.18 1.61 2.56 -1.26 -4.83 118.70 118.09 3kjg s GLU 104 Ca 0.00 1.78 -0.01 0.00 0.00 0.00 0.00 54.97 56.75 3kjg s GLU 104 Cb 0.00 -3.35 0.04 0.00 2.00 0.00 0.00 34.13 32.82 3kjg s GLU 104 CO 0.00 -0.27 0.25 0.44 -0.56 0.00 0.00 175.26 175.11 3kjg n ILE 105 N 3.94 0.00 -3.39 -3.70 -5.35 -1.26 -4.98 119.36 104.62 3kjg n ILE 105 Ca 0.09 -0.33 -0.04 0.00 -0.27 0.00 0.00 62.75 62.21 3kjg n ILE 105 Cb 0.46 -1.41 -0.06 0.00 -1.74 0.00 0.00 39.64 36.90 3kjg n ILE 105 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3kjg s LYS 106 N -3.15 0.44 0.44 6.28 2.47 -1.26 -5.16 119.74 119.80 3kjg s LYS 106 Ca 0.16 0.91 0.08 0.00 -1.56 0.00 0.00 55.97 55.56 3kjg s LYS 106 Cb -0.01 0.19 0.01 0.00 -1.46 0.00 0.00 37.83 36.57 3kjg s LYS 106 CO 0.10 -0.50 0.55 0.21 0.16 0.00 0.00 175.35 175.88 3kjg s LYS 107 N 2.71 2.68 0.00 4.03 2.20 -1.26 -4.71 119.74 125.38 3kjg s LYS 107 Ca 0.10 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 3kjg s LYS 107 Cb -0.14 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 3kjg s LYS 107 CO -0.17 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 3kjg n GLY 108 N -1.84 3.08 1.64 5.54 0.00 -1.26 -4.64 105.19 107.71 3kjg n GLY 108 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3kjg n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjg n GLY 109 N 0.00 0.63 0.28 -0.02 0.00 -1.26 -4.87 105.19 99.94 3kjg n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kjg n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kjg n SER 110 N 0.00 0.14 -0.89 1.61 7.64 -1.26 -4.55 113.62 116.31 3kjg n SER 110 Ca 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.38 3kjg n SER 110 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3kjg n SER 110 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3kjg n GLN 111 N -0.01 0.00 -3.94 1.43 -0.06 -1.26 -5.12 117.38 108.42 3kjg n GLN 111 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.69 3kjg n GLN 111 Cb 0.03 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.07 3kjg n GLN 111 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kjg n TYR 113 N 4.11 2.43 0.89 0.00 4.01 -1.26 -4.67 117.16 122.67 3kjg n TYR 113 Ca 0.03 -2.24 0.13 0.00 -0.16 0.00 0.00 57.90 55.67 3kjg n TYR 113 Cb 0.40 -0.55 0.48 0.00 -0.31 0.00 0.00 39.34 39.36 3kjg n TYR 113 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kjg h ARG 115 N 0.00 -0.00 -0.11 0.00 3.08 -1.98 -2.86 114.38 112.50 3kjg h ARG 115 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3kjg h ARG 115 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3kjg h ARG 115 CO 0.00 0.91 -0.26 1.05 -1.07 0.00 0.00 179.97 180.60 3kjg h GLU 116 N -0.98 0.37 -0.93 0.04 9.09 -1.94 -2.39 114.58 117.84 3kjg h GLU 116 Ca -0.00 -0.25 0.14 0.00 0.05 0.00 0.00 59.36 59.30 3kjg h GLU 116 Cb 0.91 0.04 -0.08 0.00 -1.65 0.00 0.00 28.75 27.97 3kjg h GLU 116 CO 0.00 0.86 0.60 -0.91 0.05 0.00 0.00 179.01 179.60 3kjg h ASN 117 N -0.06 0.74 -0.35 3.06 4.21 -1.66 0.21 115.58 121.73 3kjg h ASN 117 Ca -0.00 0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.52 3kjg h ASN 117 Cb 0.86 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.94 3kjg h ASN 117 CO 0.06 0.37 0.08 -1.28 -1.29 0.00 0.00 177.43 175.37 3kjg h SER 118 N 0.78 0.54 0.48 5.81 0.87 -1.43 -0.67 113.55 119.93 3kjg h SER 118 Ca 0.47 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3kjg h SER 118 Cb 0.67 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3kjg h SER 118 CO -0.24 0.64 -0.24 0.15 -0.53 0.00 0.00 176.83 176.61 3kjg h PHE 119 N 0.42 -0.62 -0.57 2.24 3.57 -0.29 0.15 116.94 121.84 3kjg h PHE 119 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3kjg h PHE 119 Cb 0.31 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 3kjg h PHE 119 CO 0.02 -0.38 0.24 -0.07 -2.23 0.00 0.00 178.31 175.89 3kjg h LEU 120 N -0.65 0.28 -1.10 0.59 3.38 -0.72 -1.42 115.31 115.67 3kjg h LEU 120 Ca -0.06 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kjg h LEU 120 Cb 0.51 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3kjg h LEU 120 CO 0.10 0.18 0.61 1.23 0.09 0.00 0.00 178.44 180.65 3kjg h GLY 121 N 0.44 1.40 2.00 0.83 0.00 -0.68 -0.43 103.07 106.63 3kjg h GLY 121 Ca 0.28 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3kjg h GLY 121 CO -0.25 0.31 0.00 1.48 0.00 0.00 0.00 176.54 178.07 3kjg h SER 122 N 1.07 0.00 0.02 0.19 4.64 0.04 -2.16 113.55 117.35 3kjg h SER 122 Ca 0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 3kjg h SER 122 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3kjg h SER 122 CO -0.16 0.00 -0.14 0.58 -0.87 0.00 0.00 176.83 176.24 3kjg h VAL 123 N 0.00 1.74 -0.82 0.95 2.07 -0.26 -2.35 116.25 117.58 3kjg h VAL 123 Ca 0.00 -2.34 0.04 0.00 0.82 0.00 0.00 66.70 65.21 3kjg h VAL 123 Cb 0.74 3.32 -0.05 0.00 -1.52 0.00 0.00 31.29 33.79 3kjg h VAL 123 CO 0.00 0.62 0.54 0.58 0.02 0.00 0.00 177.57 179.33 3kjg h VAL 124 N -0.87 1.12 -0.41 2.57 2.07 -1.16 -1.02 116.25 118.56 3kjg h VAL 124 Ca -0.02 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 3kjg h VAL 124 Cb 1.09 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kjg h VAL 124 CO 0.03 0.18 -0.17 -1.28 0.02 0.00 0.00 177.57 176.35 3kjg h SER 125 N 1.00 0.86 -0.35 0.57 0.87 -1.45 -1.72 113.55 113.34 3kjg h SER 125 Ca 0.33 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3kjg h SER 125 Cb 0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3kjg h SER 125 CO -0.10 1.06 0.10 0.00 -0.53 0.00 0.00 176.83 177.36 3kjg h ALA 126 N 0.82 0.45 -0.28 6.23 0.00 -0.86 0.21 119.26 125.84 3kjg h ALA 126 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kjg h ALA 126 Cb 0.72 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3kjg h ALA 126 CO 0.05 0.10 0.01 -0.07 0.00 0.00 0.00 179.25 179.34 3kjg h LEU 127 N 0.41 -0.10 0.09 0.00 3.38 -1.13 0.84 115.31 118.80 3kjg h LEU 127 Ca 0.11 0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 3kjg h LEU 127 Cb 0.26 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kjg h LEU 127 CO -0.00 -0.01 -1.19 -0.26 0.09 0.00 0.00 178.44 177.06 3kjg h PHE 128 N 0.09 0.35 0.00 1.13 0.04 -1.23 -3.35 116.94 113.98 3kjg h PHE 128 Ca 0.13 -0.26 -0.31 0.00 2.80 0.00 0.00 57.97 60.33 3kjg h PHE 128 Cb 0.17 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 3kjg h PHE 128 CO -0.21 1.21 -2.19 1.28 -0.60 0.00 0.00 178.31 177.80 3kjg n LEU 129 N -3.48 2.05 -0.09 1.54 4.77 0.74 -4.79 117.00 117.75 3kjg n LEU 129 Ca -0.06 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.69 3kjg n LEU 129 Cb 1.00 -0.38 -0.14 0.00 -2.33 0.00 0.00 43.42 41.57 3kjg n LEU 129 CO 0.52 0.72 -1.15 0.47 -1.33 0.00 0.00 177.39 176.62 3kjg n ASP 130 N -2.96 1.29 -4.76 -1.43 8.00 0.04 -4.94 116.55 111.79 3kjg n ASP 130 Ca -0.34 -0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.75 3kjg n ASP 130 Cb 0.95 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.00 3kjg n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kjg s LYS 131 N -2.52 4.61 0.02 -1.24 -0.14 0.07 -4.93 119.74 115.61 3kjg s LYS 131 Ca -0.23 1.84 0.08 0.00 -1.36 0.00 0.00 55.97 56.30 3kjg s LYS 131 Cb 0.08 -3.18 -0.23 0.00 -1.68 0.00 0.00 37.83 32.82 3kjg s LYS 131 CO 0.71 0.17 0.90 0.87 -0.76 0.00 0.00 175.35 177.24 3kjg h LYS 132 N 3.81 0.04 -6.95 1.68 1.79 -1.91 -3.46 116.57 111.58 3kjg h LYS 132 Ca -0.47 -0.07 -0.53 0.00 -2.18 0.00 0.00 60.65 57.40 3kjg h LYS 132 Cb 1.21 0.03 0.20 0.00 -1.58 0.00 0.00 32.23 32.09 3kjg h LYS 132 CO 0.67 0.77 -0.23 -0.85 -1.08 0.00 0.00 179.45 178.73 3kjg n GLU 133 N -3.22 -0.19 -2.15 3.15 0.00 -1.26 -4.57 120.64 112.40 3kjg n GLU 133 Ca -0.11 -0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.68 3kjg n GLU 133 Cb 1.01 -2.06 0.01 0.00 0.00 0.00 0.00 31.44 30.40 3kjg n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kjg s ALA 134 N -2.36 2.74 -0.01 -1.84 0.00 -1.22 -4.69 121.76 114.38 3kjg s ALA 134 Ca 0.63 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.54 3kjg s ALA 134 Cb -0.24 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.48 3kjg s ALA 134 CO 0.62 -0.91 0.03 0.08 0.00 0.00 0.00 175.76 175.58 3kjg s VAL 135 N -1.61 -0.03 -0.17 0.00 1.01 0.13 -1.08 120.40 118.64 3kjg s VAL 135 Ca 0.72 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 3kjg s VAL 135 Cb -0.29 -0.06 0.06 0.00 0.00 0.00 0.00 36.38 36.09 3kjg s VAL 135 CO 0.33 0.04 0.04 0.54 0.00 0.00 0.00 175.10 176.05 3kjg s VAL 136 N 0.54 0.37 -0.16 2.92 0.11 -0.63 0.45 120.40 124.00 3kjg s VAL 136 Ca -0.04 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 3kjg s VAL 136 Cb -0.06 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 3kjg s VAL 136 CO -0.02 -0.17 -0.16 -0.32 -3.33 0.00 0.00 175.10 171.10 3kjg s MET 137 N 1.94 3.18 0.42 1.54 0.00 -0.29 -1.26 119.30 124.82 3kjg s MET 137 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 55.69 54.96 3kjg s MET 137 Cb -0.16 -2.63 -0.00 0.00 0.00 0.00 0.00 34.83 32.04 3kjg s MET 137 CO -0.08 -0.03 0.61 0.16 0.00 0.00 0.00 175.02 175.69 3kjg s ASP 138 N 0.91 5.83 0.10 1.11 3.84 -0.81 -0.94 116.67 126.71 3kjg s ASP 138 Ca -0.03 0.10 -0.27 0.00 -0.00 0.00 0.00 52.55 52.35 3kjg s ASP 138 Cb -0.15 -1.38 0.08 0.00 -1.38 0.00 0.00 42.92 40.10 3kjg s ASP 138 CO -0.02 -0.65 1.07 0.00 -0.00 0.00 0.00 175.17 175.58 3kjg s MET 139 N -4.44 0.94 1.09 2.11 0.23 0.18 -1.58 119.30 117.82 3kjg s MET 139 Ca 0.48 -0.52 -0.17 0.00 -1.03 0.00 0.00 55.69 54.44 3kjg s MET 139 Cb -0.10 0.32 0.24 0.00 -1.53 0.00 0.00 34.83 33.76 3kjg s MET 139 CO 0.36 -0.43 1.19 0.20 -2.03 0.00 0.00 175.02 174.31 3kjg s GLY 140 N -2.99 1.66 0.58 3.16 0.00 -1.26 -2.82 107.32 105.65 3kjg s GLY 140 Ca 0.13 -1.01 0.33 0.00 0.00 0.00 0.00 44.72 44.18 3kjg s GLY 140 CO 0.00 -0.20 2.18 0.00 0.00 0.00 0.00 173.10 175.09 3kjg h ALA 141 N -2.13 1.21 -0.00 3.20 0.00 -1.89 -2.39 119.26 117.26 3kjg h ALA 141 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kjg h ALA 141 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kjg h ALA 141 CO 0.38 0.06 -0.03 0.41 0.00 0.00 0.00 179.25 180.07 3kjg n GLY 142 N -0.82 -1.29 3.93 0.00 0.00 -1.26 -4.67 105.19 101.09 3kjg n GLY 142 Ca -0.02 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3kjg n GLY 142 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kjg n ILE 143 N -1.30 -0.09 0.14 -0.61 -5.35 -0.90 -4.79 119.36 106.46 3kjg n ILE 143 Ca 0.12 -0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.62 3kjg n ILE 143 Cb 0.27 -0.44 0.54 0.00 -1.74 0.00 0.00 39.64 38.26 3kjg n ILE 143 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 3kjg h GLU 144 N -0.75 0.25 -0.13 6.28 9.09 -1.91 -2.83 114.58 124.58 3kjg h GLU 144 Ca -0.48 -0.02 0.04 0.00 0.05 0.00 0.00 59.36 58.95 3kjg h GLU 144 Cb 1.11 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 3kjg h GLU 144 CO 0.70 0.17 0.11 0.45 0.05 0.00 0.00 179.01 180.49 3kjg h HIS 145 N 0.26 0.00 -3.88 2.06 3.86 -1.94 -3.43 115.15 112.08 3kjg h HIS 145 Ca 0.07 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.79 3kjg h HIS 145 Cb -0.02 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.46 3kjg h HIS 145 CO 0.00 0.00 0.21 -0.51 0.86 0.00 0.00 177.93 178.49 3kjg s LEU 146 N -8.31 3.72 0.00 2.43 1.43 -1.07 -5.00 118.68 111.89 3kjg s LEU 146 Ca -0.05 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3kjg s LEU 146 Cb 0.16 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 42.21 3kjg s LEU 146 CO 0.62 -0.49 0.00 0.35 0.23 0.00 0.00 176.35 177.05 3kjg n THR 147 N -1.53 0.00 -0.04 5.49 -2.24 -1.26 -5.02 114.28 109.68 3kjg n THR 147 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 3kjg n THR 147 Cb 0.54 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 3kjg n THR 147 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3kjg h ARG 148 N 0.00 0.54 -0.78 -0.78 9.65 -1.99 -2.64 114.38 118.37 3kjg h ARG 148 Ca 0.00 -0.41 -0.05 0.00 -1.10 0.00 0.00 59.98 58.42 3kjg h ARG 148 Cb 0.00 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3kjg h ARG 148 CO 0.00 1.03 0.29 0.78 2.80 0.00 0.00 179.97 184.87 3kjg h GLY 149 N 0.15 1.27 1.44 2.80 0.00 -1.96 -3.24 103.07 103.53 3kjg h GLY 149 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 47.33 46.30 3kjg h GLY 149 CO 0.10 0.66 -1.38 -0.91 0.00 0.00 0.00 176.54 175.01 3kjg h THR 150 N 1.15 1.36 -0.98 4.70 1.35 -1.96 -3.36 112.91 115.16 3kjg h THR 150 Ca 0.26 -2.90 0.31 0.00 -0.55 0.00 0.00 66.41 63.53 3kjg h THR 150 Cb 0.24 2.93 -0.18 0.00 -1.73 0.00 0.00 68.15 69.41 3kjg h THR 150 CO -0.02 0.86 0.22 0.00 -0.25 0.00 0.00 175.52 176.33 3kjg h ALA 151 N 0.44 1.50 0.00 6.62 0.00 -1.49 0.95 119.26 127.28 3kjg h ALA 151 Ca -0.19 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kjg h ALA 151 Cb 2.04 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.29 3kjg h ALA 151 CO 0.21 -0.67 0.00 1.63 0.00 0.00 0.00 179.25 180.42 3kjg n LYS 152 N -5.37 0.01 -0.03 0.00 5.02 -1.26 -1.67 118.16 114.87 3kjg n LYS 152 Ca 0.28 0.37 0.04 0.00 -2.02 0.00 0.00 58.31 56.97 3kjg n LYS 152 Cb 0.91 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 34.24 3kjg n LYS 152 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kjg n ALA 153 N -1.52 2.33 -1.82 7.82 0.00 0.33 -4.90 120.51 122.75 3kjg n ALA 153 Ca 0.02 -0.75 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 3kjg n ALA 153 Cb 0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3kjg n ALA 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kjg s VAL 154 N -3.16 3.27 0.25 0.00 1.01 -0.67 -4.67 120.40 116.43 3kjg s VAL 154 Ca -0.08 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 3kjg s VAL 154 Cb 0.11 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 33.21 3kjg s VAL 154 CO 0.87 -0.20 1.69 0.44 0.00 0.00 0.00 175.10 177.90 3kjg h ASP 155 N 13.50 0.67 -4.11 3.32 3.32 -1.36 -3.44 116.42 128.32 3kjg h ASP 155 Ca -0.38 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.41 3kjg h ASP 155 Cb 1.20 -0.18 -0.21 0.00 0.22 0.00 0.00 39.33 40.36 3kjg h ASP 155 CO 0.99 0.86 0.12 -0.32 -1.72 0.00 0.00 179.24 179.17 3kjg s MET 156 N -4.64 0.85 -0.18 3.56 1.75 -1.19 -4.66 119.30 114.79 3kjg s MET 156 Ca -0.08 0.89 -0.06 0.00 -1.25 0.00 0.00 55.69 55.19 3kjg s MET 156 Cb 0.14 0.41 -0.03 0.00 2.84 0.00 0.00 34.83 38.18 3kjg s MET 156 CO 0.81 -0.12 0.02 1.41 -0.65 0.00 0.00 175.02 176.49 3kjg s MET 157 N 0.19 3.81 -0.31 4.11 1.75 -0.50 -1.95 119.30 126.40 3kjg s MET 157 Ca -0.01 -0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 53.94 3kjg s MET 157 Cb -0.04 -3.09 0.03 0.00 2.84 0.00 0.00 34.83 34.57 3kjg s MET 157 CO 0.02 0.21 0.06 0.42 -0.65 0.00 0.00 175.02 175.08 3kjg s ILE 158 N 0.50 3.58 -0.15 10.11 1.01 0.12 -1.59 121.20 134.78 3kjg s ILE 158 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 3kjg s ILE 158 Cb -0.13 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3kjg s ILE 158 CO 0.02 -0.07 0.50 0.00 0.00 0.00 0.00 174.94 175.39 3kjg s ALA 159 N 1.39 3.50 -0.18 9.38 0.00 -0.55 -0.40 121.76 134.89 3kjg s ALA 159 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 3kjg s ALA 159 Cb -0.19 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3kjg s ALA 159 CO 0.01 -0.17 0.03 0.08 0.00 0.00 0.00 175.76 175.71 3kjg s VAL 160 N 1.01 4.45 0.16 0.00 1.01 0.75 -1.96 120.40 125.82 3kjg s VAL 160 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3kjg s VAL 160 Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3kjg s VAL 160 CO 0.10 0.46 0.16 0.27 0.00 0.00 0.00 175.10 176.09 3kjg s ILE 161 N 0.48 0.06 0.33 2.22 -4.36 -0.87 -4.43 121.20 114.63 3kjg s ILE 161 Ca 0.01 -1.77 0.05 0.00 -0.26 0.00 0.00 60.65 58.68 3kjg s ILE 161 Cb -0.13 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 3kjg s ILE 161 CO 0.01 -0.29 0.47 -1.61 0.24 0.00 0.00 174.94 173.76 3kjg s GLU 162 N -4.05 3.20 -0.90 0.37 2.02 -1.26 -0.79 118.70 117.29 3kjg s GLU 162 Ca 0.26 -0.88 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 3kjg s GLU 162 Cb 0.06 -2.81 -0.07 0.00 0.10 0.00 0.00 34.13 31.41 3kjg s GLU 162 CO 0.04 0.11 2.26 -0.35 0.02 0.00 0.00 175.26 177.35 3kjg n PRO 163 N -1.64 2.20 -3.66 0.39 -0.04 -1.26 -4.41 135.00 126.58 3kjg n PRO 163 Ca -0.02 -1.45 -0.15 0.00 -0.04 0.00 0.00 63.50 61.84 3kjg n PRO 163 Cb 0.58 -2.42 -0.08 0.00 -0.04 0.00 0.00 33.50 31.54 3kjg n PRO 163 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kjg s ASN 164 N 3.12 -0.52 0.21 3.54 2.20 -1.26 -4.83 114.94 117.40 3kjg s ASN 164 Ca 0.44 0.80 -0.18 0.00 -0.94 0.00 0.00 52.86 52.98 3kjg s ASN 164 Cb 0.12 0.81 0.19 0.00 -2.00 0.00 0.00 41.25 40.38 3kjg s ASN 164 CO -0.03 -0.35 1.47 0.18 -2.94 0.00 0.00 177.10 175.42 3kjg n LEU 165 N 1.98 -0.66 -0.31 3.54 4.32 -1.26 -0.21 117.00 124.40 3kjg n LEU 165 Ca -0.17 1.66 0.07 0.00 -0.02 0.00 0.00 56.01 57.55 3kjg n LEU 165 Cb 0.56 -0.36 0.23 0.00 -1.62 0.00 0.00 43.42 42.23 3kjg n LEU 165 CO 0.15 -1.47 1.14 -1.13 -1.22 0.00 0.00 177.39 174.86 3kjg h ASN 166 N 0.00 0.66 0.87 -1.43 -1.24 -1.97 0.20 115.58 112.67 3kjg h ASN 166 Ca 0.31 0.08 -0.22 0.00 0.71 0.00 0.00 56.30 57.18 3kjg h ASN 166 Cb 0.55 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 3kjg h ASN 166 CO -0.94 0.31 -1.01 -1.28 -1.29 0.00 0.00 177.43 173.22 3kjg h SER 167 N 0.74 0.10 0.20 1.15 0.87 -1.23 -3.03 113.55 112.35 3kjg h SER 167 Ca 0.47 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.82 3kjg h SER 167 Cb 0.59 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3kjg h SER 167 CO -0.32 1.04 -0.39 0.40 -0.53 0.00 0.00 176.83 177.03 3kjg h ILE 168 N 0.02 1.30 -0.14 2.23 2.04 0.61 0.71 117.51 124.28 3kjg h ILE 168 Ca -0.04 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 3kjg h ILE 168 Cb 1.74 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3kjg h ILE 168 CO 0.14 0.44 0.05 0.50 0.00 0.00 0.00 178.15 179.28 3kjg h LYS 169 N 0.22 0.22 -0.64 2.37 3.64 -0.67 -0.87 116.57 120.84 3kjg h LYS 169 Ca 0.02 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3kjg h LYS 169 Cb 0.79 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 3kjg h LYS 169 CO 0.06 0.34 0.35 1.15 -2.27 0.00 0.00 179.45 179.08 3kjg h THR 170 N 0.06 0.94 0.26 1.00 2.02 -1.31 -1.14 112.91 114.75 3kjg h THR 170 Ca 0.05 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3kjg h THR 170 Cb 0.21 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3kjg h THR 170 CO -0.00 0.12 -0.36 1.23 0.37 0.00 0.00 175.52 176.88 3kjg h GLY 171 N 0.64 -1.13 -0.38 2.16 0.00 -0.36 -2.26 103.07 101.74 3kjg h GLY 171 Ca 0.29 0.54 0.17 0.00 0.00 0.00 0.00 47.33 48.33 3kjg h GLY 171 CO -0.19 -0.34 -0.01 1.41 0.00 0.00 0.00 176.54 177.41 3kjg h LEU 172 N -0.64 -0.37 -0.32 3.11 3.38 -0.75 -0.22 115.31 119.50 3kjg h LEU 172 Ca -0.03 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3kjg h LEU 172 Cb 0.58 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 3kjg h LEU 172 CO -0.10 -0.19 -0.12 -1.13 0.09 0.00 0.00 178.44 177.00 3kjg h ASN 173 N 0.09 -0.42 -0.81 -0.43 -0.73 -0.90 0.64 115.58 113.02 3kjg h ASN 173 Ca 0.41 0.11 0.11 0.00 1.87 0.00 0.00 56.30 58.81 3kjg h ASN 173 Cb 0.72 0.25 -0.08 0.00 0.27 0.00 0.00 38.32 39.48 3kjg h ASN 173 CO -0.67 -0.15 0.43 0.40 -0.37 0.00 0.00 177.43 177.06 3kjg h ILE 174 N -0.06 0.83 -0.15 2.57 2.04 -0.49 0.22 117.51 122.47 3kjg h ILE 174 Ca 0.16 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3kjg h ILE 174 Cb 0.30 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3kjg h ILE 174 CO -0.36 0.13 -0.02 -0.08 0.00 0.00 0.00 178.15 177.82 3kjg h GLU 175 N 0.69 0.21 0.45 2.37 4.81 -0.09 -0.20 114.58 122.82 3kjg h GLU 175 Ca 0.41 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3kjg h GLU 175 Cb 0.47 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kjg h GLU 175 CO -0.30 0.25 -0.22 -0.22 -0.73 0.00 0.00 179.01 177.80 3kjg h LYS 176 N 0.21 -0.59 -0.68 1.92 1.63 0.14 -1.96 116.57 117.25 3kjg h LYS 176 Ca 0.05 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 60.03 3kjg h LYS 176 Cb 0.18 0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 31.81 3kjg h LYS 176 CO 0.00 -0.39 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.43 3kjg h LEU 177 N -1.12 -0.53 -1.02 5.20 3.38 -0.77 0.15 115.31 120.60 3kjg h LEU 177 Ca -0.06 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kjg h LEU 177 Cb 0.47 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3kjg h LEU 177 CO 0.10 -0.20 0.63 0.00 0.09 0.00 0.00 178.44 179.06 3kjg h ALA 178 N 1.67 1.29 -0.09 1.53 0.00 -1.09 -2.16 119.26 120.40 3kjg h ALA 178 Ca 0.34 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3kjg h ALA 178 Cb 0.55 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kjg h ALA 178 CO -0.67 0.65 -0.20 0.78 0.00 0.00 0.00 179.25 179.82 3kjg h GLY 179 N 1.32 0.32 1.50 0.00 0.00 -0.25 -0.99 103.07 104.97 3kjg h GLY 179 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kjg h GLY 179 CO -0.07 0.35 0.00 1.22 0.00 0.00 0.00 176.54 178.04 3kjg n ASP 180 N -4.54 0.00 -0.01 0.19 10.43 0.34 -1.28 116.55 121.69 3kjg n ASP 180 Ca -0.07 0.15 0.09 0.00 2.57 0.00 0.00 54.79 57.52 3kjg n ASP 180 Cb 0.41 -0.25 -0.13 0.00 1.84 0.00 0.00 41.12 43.00 3kjg n ASP 180 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3kjg n LEU 181 N -1.25 0.17 0.00 0.64 7.94 -0.83 -4.99 117.00 118.68 3kjg n LEU 181 Ca 0.03 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 3kjg n LEU 181 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 3kjg n LEU 181 CO 0.05 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.98 3kjg n GLY 182 N 1.48 0.98 3.61 -3.96 0.00 -0.40 -4.53 105.19 102.36 3kjg n GLY 182 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3kjg n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjg s ILE 183 N -2.00 3.75 -0.80 -0.61 1.01 -0.40 -4.48 121.20 117.68 3kjg s ILE 183 Ca 0.00 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.49 3kjg s ILE 183 Cb 0.00 -3.94 0.31 0.00 0.01 0.00 0.00 42.46 38.84 3kjg s ILE 183 CO 0.00 -0.55 0.99 0.29 0.00 0.00 0.00 174.94 175.67 3kjg n LYS 184 N 8.07 2.43 -3.15 2.79 4.76 -1.26 -4.23 118.16 127.57 3kjg n LYS 184 Ca 0.19 -1.18 0.04 0.00 -2.87 0.00 0.00 58.31 54.48 3kjg n LYS 184 Cb 0.47 -1.76 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 3kjg n LYS 184 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kjg s LYS 185 N -1.67 0.56 -0.09 1.97 2.20 -1.26 -5.11 119.74 116.35 3kjg s LYS 185 Ca 0.21 0.95 0.04 0.00 -0.36 0.00 0.00 55.97 56.81 3kjg s LYS 185 Cb 0.15 0.50 -0.00 0.00 -1.51 0.00 0.00 37.83 36.98 3kjg s LYS 185 CO 0.06 -0.66 -0.24 0.08 -0.36 0.00 0.00 175.35 174.23 3kjg s VAL 186 N 2.85 2.04 0.15 4.02 1.01 -1.26 -1.40 120.40 127.80 3kjg s VAL 186 Ca 0.20 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3kjg s VAL 186 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3kjg s VAL 186 CO -0.21 0.56 -0.13 -0.13 0.00 0.00 0.00 175.10 175.19 3kjg s ARG 187 N 0.28 1.10 0.10 2.72 1.81 -0.62 -4.92 118.95 119.41 3kjg s ARG 187 Ca -0.17 -1.38 0.05 0.00 -1.72 0.00 0.00 55.73 52.51 3kjg s ARG 187 Cb -0.17 -0.85 -0.04 0.00 -0.45 0.00 0.00 34.95 33.43 3kjg s ARG 187 CO 0.08 0.14 -0.03 0.71 -0.68 0.00 0.00 175.30 175.53 3kjg s TYR 188 N -2.70 2.92 -0.13 -0.53 2.02 0.35 -1.48 117.35 117.79 3kjg s TYR 188 Ca 0.14 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.76 3kjg s TYR 188 Cb -0.02 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3kjg s TYR 188 CO 0.03 0.47 0.00 0.08 -1.57 0.00 0.00 175.55 174.56 3kjg s VAL 189 N -1.29 0.57 -0.32 0.71 1.01 -0.83 -0.44 120.40 119.81 3kjg s VAL 189 Ca 0.25 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3kjg s VAL 189 Cb -0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3kjg s VAL 189 CO 0.17 0.07 0.46 -0.63 0.00 0.00 0.00 175.10 175.17 3kjg s ILE 190 N 1.87 5.08 0.08 2.22 1.09 -1.11 -2.05 121.20 128.38 3kjg s ILE 190 Ca 0.02 0.41 0.04 0.00 -1.10 0.00 0.00 60.65 60.03 3kjg s ILE 190 Cb -0.14 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 3kjg s ILE 190 CO -0.07 -0.08 0.02 0.21 -0.10 0.00 0.00 174.94 174.92 3kjg s ASN 191 N 1.70 5.14 -0.72 3.58 2.47 0.03 -0.73 114.94 126.41 3kjg s ASN 191 Ca 0.17 -0.13 -0.04 0.00 0.42 0.00 0.00 52.86 53.28 3kjg s ASN 191 Cb -0.16 -1.26 0.00 0.00 -1.45 0.00 0.00 41.25 38.38 3kjg s ASN 191 CO 0.12 0.18 0.54 0.29 -3.72 0.00 0.00 177.10 174.50 3kjg n LYS 192 N 0.57 -3.72 -2.73 0.43 5.02 -0.04 -4.28 118.16 113.41 3kjg n LYS 192 Ca -0.10 0.43 -0.41 0.00 -2.02 0.00 0.00 58.31 56.21 3kjg n LYS 192 Cb 0.52 -4.27 -0.04 0.00 -0.02 0.00 0.00 35.03 31.21 3kjg n LYS 192 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kjg s VAL 193 N -3.09 4.56 -0.16 -0.18 -7.23 -1.01 -4.35 120.40 108.94 3kjg s VAL 193 Ca 0.27 2.06 0.12 0.00 -1.81 0.00 0.00 61.98 62.61 3kjg s VAL 193 Cb -0.12 -4.32 -0.18 0.00 0.56 0.00 0.00 36.38 32.32 3kjg s VAL 193 CO 0.33 0.30 0.01 0.54 -0.31 0.00 0.00 175.10 175.97 3kjg n ARG 194 N 2.94 1.26 -4.15 4.82 1.74 -1.26 -0.70 116.66 121.31 3kjg n ARG 194 Ca 0.03 0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.93 3kjg n ARG 194 Cb 0.49 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.46 3kjg n ARG 194 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3kjg n ASN 195 N -2.68 -0.44 0.09 0.55 6.94 -1.26 -4.96 115.26 113.49 3kjg n ASN 195 Ca -0.27 -3.09 -0.07 0.00 -0.02 0.00 0.00 54.58 51.13 3kjg n ASN 195 Cb 0.98 1.52 -0.03 0.00 -2.36 0.00 0.00 39.78 39.90 3kjg n ASN 195 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3kjg h ILE 196 N 1.97 1.58 -0.35 1.53 2.04 -1.99 -3.01 117.51 119.28 3kjg h ILE 196 Ca -0.23 -2.88 0.04 0.00 1.00 0.00 0.00 64.86 62.78 3kjg h ILE 196 Cb 1.14 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.78 3kjg h ILE 196 CO 0.34 0.83 0.14 0.50 0.00 0.00 0.00 178.15 179.96 3kjg h LYS 197 N 0.04 0.28 -0.66 2.37 3.64 -1.99 0.38 116.57 120.63 3kjg h LYS 197 Ca -0.03 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3kjg h LYS 197 Cb 1.57 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 3kjg h LYS 197 CO 0.13 0.19 0.44 0.93 -2.27 0.00 0.00 179.45 178.86 3kjg h GLU 198 N 0.29 0.86 -0.59 1.90 5.08 -1.88 -1.32 114.58 118.93 3kjg h GLU 198 Ca 0.16 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3kjg h GLU 198 Cb 0.12 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3kjg h GLU 198 CO -0.15 0.57 0.10 0.93 -1.00 0.00 0.00 179.01 179.46 3kjg h GLU 199 N 0.89 0.94 -0.07 2.33 5.08 -0.97 -2.58 114.58 120.20 3kjg h GLU 199 Ca 0.24 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 3kjg h GLU 199 Cb -0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kjg h GLU 199 CO -0.05 0.87 -0.61 0.87 -1.00 0.00 0.00 179.01 179.08 3kjg h LYS 200 N 0.89 0.23 0.00 2.33 1.57 -0.10 -2.63 116.57 118.86 3kjg h LYS 200 Ca 0.18 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3kjg h LYS 200 Cb 0.38 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3kjg h LYS 200 CO 0.01 0.77 -0.25 1.25 -0.57 0.00 0.00 179.45 180.66 3kjg h LEU 201 N 0.17 0.00 0.25 2.94 5.85 -1.00 -2.47 115.31 121.05 3kjg h LEU 201 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kjg h LEU 201 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3kjg h LEU 201 CO 0.09 0.25 -0.12 0.40 -0.34 0.00 0.00 178.44 178.72 3kjg h ILE 202 N 0.00 0.64 0.00 4.05 1.08 -1.10 -2.95 117.51 119.23 3kjg h ILE 202 Ca -0.00 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3kjg h ILE 202 Cb 0.52 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3kjg h ILE 202 CO 0.03 0.15 0.00 0.29 -0.69 0.00 0.00 178.15 177.93 3kjg n LYS 203 N -5.02 0.07 0.04 2.37 5.02 -1.10 -1.31 118.16 118.24 3kjg n LYS 203 Ca -0.08 0.27 -0.14 0.00 -2.02 0.00 0.00 58.31 56.34 3kjg n LYS 203 Cb 0.26 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 3kjg n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3kjg h LYS 204 N 0.00 0.16 -0.01 1.97 3.64 -1.34 -3.37 116.57 117.62 3kjg h LYS 204 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3kjg h LYS 204 Cb 0.12 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kjg h LYS 204 CO 0.00 0.98 -0.32 0.72 -2.27 0.00 0.00 179.45 178.57 3kjg n HIS 205 N -3.36 0.00 -3.91 1.91 8.25 -0.80 -4.99 115.22 112.32 3kjg n HIS 205 Ca -0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 3kjg n HIS 205 Cb 1.03 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.00 3kjg n HIS 205 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kjg s LEU 206 N -1.98 2.06 0.51 2.41 1.43 -0.43 -5.10 118.68 117.58 3kjg s LEU 206 Ca 0.13 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 3kjg s LEU 206 Cb 0.13 0.01 -0.08 0.00 0.03 0.00 0.00 46.19 46.28 3kjg s LEU 206 CO 0.39 -0.07 1.01 -2.16 0.23 0.00 0.00 176.35 175.75 3kjg s PRO 207 N -0.39 3.79 0.39 1.29 0.04 -1.26 -4.44 135.00 134.43 3kjg s PRO 207 Ca -0.04 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.25 3kjg s PRO 207 Cb -0.03 -2.10 0.79 0.00 0.04 0.00 0.00 34.50 33.20 3kjg s PRO 207 CO -0.00 -0.41 1.99 1.49 0.04 0.00 0.00 177.00 180.11 3kjg h GLU 208 N 1.19 0.49 0.00 4.56 4.57 -1.93 -2.40 114.58 121.07 3kjg h GLU 208 Ca -0.48 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3kjg h GLU 208 Cb 1.20 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3kjg h GLU 208 CO 0.60 0.41 0.00 -0.40 -1.18 0.00 0.00 179.01 178.43 3kjg n ASP 209 N -4.40 0.73 0.06 1.04 3.85 -1.26 -2.63 116.55 113.94 3kjg n ASP 209 Ca 0.02 0.65 0.10 0.00 -0.71 0.00 0.00 54.79 54.85 3kjg n ASP 209 Cb 0.14 -0.82 -0.07 0.00 -1.35 0.00 0.00 41.12 39.02 3kjg n ASP 209 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kjg n LYS 210 N -2.27 0.63 -3.09 0.11 5.02 -0.91 -4.87 118.16 112.77 3kjg n LYS 210 Ca 0.03 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 3kjg n LYS 210 Cb 0.28 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 3kjg n LYS 210 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kjg s ILE 211 N -3.37 4.99 0.04 -0.18 1.01 -1.08 -0.50 121.20 122.12 3kjg s ILE 211 Ca -0.03 1.21 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 3kjg s ILE 211 Cb 0.11 -3.96 -0.33 0.00 0.01 0.00 0.00 42.46 38.29 3kjg s ILE 211 CO 0.83 0.07 1.02 0.25 0.00 0.00 0.00 174.94 177.12 3kjg h LEU 212 N 8.45 0.72 0.00 2.97 5.85 -1.04 -3.47 115.31 128.79 3kjg h LEU 212 Ca -0.30 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.64 3kjg h LEU 212 Cb 1.13 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3kjg h LEU 212 CO 0.78 1.61 0.00 0.61 -0.34 0.00 0.00 178.44 181.10 3kjg n GLY 213 N 1.67 -1.00 3.31 3.75 0.00 -1.24 -4.55 105.19 107.13 3kjg n GLY 213 Ca -0.15 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 3kjg n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjg s ILE 214 N -2.00 1.79 -0.09 -0.61 1.09 -1.26 -2.77 121.20 117.34 3kjg s ILE 214 Ca 0.00 -1.66 0.00 0.00 -1.10 0.00 0.00 60.65 57.89 3kjg s ILE 214 Cb 0.00 -1.67 0.02 0.00 -1.06 0.00 0.00 42.46 39.76 3kjg s ILE 214 CO 0.00 -0.11 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.01 3kjg s ILE 215 N -1.38 0.97 0.50 2.92 1.01 0.09 -4.71 121.20 120.59 3kjg s ILE 215 Ca 0.09 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 3kjg s ILE 215 Cb -0.09 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 3kjg s ILE 215 CO 0.05 0.35 1.13 -2.84 0.00 0.00 0.00 174.94 173.63 3kjg s PRO 216 N 1.40 3.59 0.16 2.79 0.02 -1.26 -0.86 135.00 140.84 3kjg s PRO 216 Ca -0.01 1.65 -0.31 0.00 0.02 0.00 0.00 61.00 62.35 3kjg s PRO 216 Cb -0.13 -2.20 -0.08 0.00 0.02 0.00 0.00 34.50 32.10 3kjg s PRO 216 CO -0.04 -0.66 1.35 -0.47 -0.33 0.00 0.00 177.00 176.84 3kjg s TYR 217 N -1.69 3.25 -0.04 6.54 5.04 0.12 -4.38 117.35 126.18 3kjg s TYR 217 Ca 0.68 1.09 -0.03 0.00 -2.44 0.00 0.00 57.07 56.38 3kjg s TYR 217 Cb -0.25 -3.64 0.02 0.00 0.35 0.00 0.00 41.96 38.44 3kjg s TYR 217 CO 0.29 -2.13 0.10 1.21 -1.34 0.00 0.00 175.55 173.69 3kjg s ASN 218 N 0.70 -0.08 0.46 4.32 3.84 -1.26 -4.92 114.94 118.00 3kjg s ASN 218 Ca 0.60 0.21 0.31 0.00 0.21 0.00 0.00 52.86 54.20 3kjg s ASN 218 Cb -0.37 0.15 1.53 0.00 -0.55 0.00 0.00 41.25 42.01 3kjg s ASN 218 CO 0.35 -0.09 1.94 -0.08 -2.79 0.00 0.00 177.10 176.43 3kjg h GLU 219 N 6.69 0.00 0.67 0.43 4.57 -2.02 -3.17 114.58 121.75 3kjg h GLU 219 Ca -0.35 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 3kjg h GLU 219 Cb 1.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 3kjg h GLU 219 CO 0.44 0.00 -0.46 -0.07 -1.18 0.00 0.00 179.01 177.74 3kjg h LEU 220 N 0.00 -1.19 -0.86 1.64 3.38 -1.98 -1.24 115.31 115.07 3kjg h LEU 220 Ca 0.00 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.22 3kjg h LEU 220 Cb 0.19 0.36 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 3kjg h LEU 220 CO 0.00 -0.68 -0.22 0.49 0.09 0.00 0.00 178.44 178.12 3kjg n PHE 221 N -5.58 0.30 0.29 1.13 3.72 -1.20 0.20 117.46 116.32 3kjg n PHE 221 Ca -0.13 1.05 -0.13 0.00 -0.05 0.00 0.00 57.45 58.18 3kjg n PHE 221 Cb 0.46 -0.99 -0.06 0.00 -0.94 0.00 0.00 39.48 37.95 3kjg n PHE 221 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3kjg h ILE 222 N 0.00 0.11 0.04 4.37 2.04 -1.68 -1.32 117.51 121.07 3kjg h ILE 222 Ca 0.41 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3kjg h ILE 222 Cb 0.62 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3kjg h ILE 222 CO -0.88 0.02 -0.17 -0.33 0.00 0.00 0.00 178.15 176.79 3kjg h GLU 223 N -1.16 -0.23 -1.12 2.37 3.07 0.08 -0.41 114.58 117.19 3kjg h GLU 223 Ca -0.08 0.02 0.32 0.00 -0.50 0.00 0.00 59.36 59.12 3kjg h GLU 223 Cb 0.63 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.54 3kjg h GLU 223 CO 0.13 -0.15 0.80 -0.07 -1.40 0.00 0.00 179.01 178.32 3kjg h LEU 224 N -0.24 0.03 0.43 1.33 4.07 -0.38 -2.18 115.31 118.37 3kjg h LEU 224 Ca -0.00 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3kjg h LEU 224 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3kjg h LEU 224 CO -0.09 0.00 -0.24 -1.28 -1.08 0.00 0.00 178.44 175.76 3kjg h SER 225 N 0.02 -0.59 -1.00 -0.43 0.87 0.14 -1.73 113.55 110.84 3kjg h SER 225 Ca 0.54 0.03 0.25 0.00 -1.23 0.00 0.00 61.79 61.37 3kjg h SER 225 Cb 2.12 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 64.16 3kjg h SER 225 CO -0.02 -0.38 0.65 -0.07 -0.53 0.00 0.00 176.83 176.48 3kjg h LEU 226 N -0.62 0.42 -2.82 2.23 4.07 -0.88 0.79 115.31 118.51 3kjg h LEU 226 Ca -0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3kjg h LEU 226 Cb 0.49 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3kjg h LEU 226 CO 0.08 0.12 0.00 2.29 -1.08 0.00 0.00 178.44 179.84 3kjg n LYS 227 N -4.56 3.69 -2.71 1.13 2.85 -1.15 -4.98 118.16 112.42 3kjg n LYS 227 Ca 0.23 -2.39 -0.23 0.00 -1.05 0.00 0.00 58.31 54.87 3kjg n LYS 227 Cb 0.82 -1.96 0.02 0.00 -0.65 0.00 0.00 35.03 33.26 3kjg n LYS 227 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kjg n GLY 228 N 0.69 -0.06 0.00 2.58 0.00 0.28 -4.98 105.19 103.70 3kjg n GLY 228 Ca 0.21 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3kjg n GLY 228 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kjg n GLU 229 N -0.45 2.10 -2.98 1.61 1.02 -0.78 -5.04 120.64 116.13 3kjg n GLU 229 Ca -0.08 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.62 3kjg n GLU 229 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.81 3kjg n GLU 229 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3kjg s GLU 230 N 1.16 3.08 0.49 3.49 2.56 -1.26 -4.70 118.70 123.52 3kjg s GLU 230 Ca 0.00 -1.05 0.27 0.00 0.00 0.00 0.00 54.97 54.19 3kjg s GLU 230 Cb 0.00 -4.24 1.17 0.00 2.00 0.00 0.00 34.13 33.06 3kjg s GLU 230 CO 0.00 -1.66 1.93 -0.84 -0.56 0.00 0.00 175.26 174.12 3kjg h ILE 231 N 5.95 0.45 -1.74 -3.70 3.07 -1.90 -3.29 117.51 116.35 3kjg h ILE 231 Ca -0.29 -0.85 -0.71 0.00 1.55 0.00 0.00 64.86 64.56 3kjg h ILE 231 Cb 1.08 1.60 -0.31 0.00 -0.27 0.00 0.00 36.82 38.91 3kjg h ILE 231 CO 1.14 0.15 0.57 0.79 -1.05 0.00 0.00 178.15 179.75 3kjg n TRP 232 N -3.39 3.10 -2.44 0.16 5.03 -1.26 -4.85 117.44 113.78 3kjg n TRP 232 Ca -0.00 -2.57 -0.27 0.00 3.03 0.00 0.00 57.50 57.68 3kjg n TRP 232 Cb 0.35 -0.94 0.02 0.00 -1.03 0.00 0.00 31.31 29.71 3kjg n TRP 232 CO 0.00 0.00 0.00 -0.65 -0.03 0.00 0.00 177.69 177.01 3kjg s GLN 233 N -3.91 3.22 0.51 -0.99 -0.21 -1.24 -4.94 119.66 112.10 3kjg s GLN 233 Ca 0.52 0.14 0.34 0.00 0.02 0.00 0.00 55.36 56.38 3kjg s GLN 233 Cb 0.44 -2.29 1.51 0.00 1.00 0.00 0.00 33.01 33.66 3kjg s GLN 233 CO -0.31 -0.50 2.00 0.77 -2.12 0.00 0.00 175.29 175.14 3kjg h SER 234 N -0.04 0.00 0.86 5.90 0.02 -1.95 -1.26 113.55 117.08 3kjg h SER 234 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3kjg h SER 234 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3kjg h SER 234 CO 0.61 0.00 0.00 0.71 -1.14 0.00 0.00 176.83 177.01 3kjg h THR 235 N 0.00 0.00 -3.47 -2.27 1.35 -1.98 -3.41 112.91 103.13 3kjg h THR 235 Ca 0.00 -0.34 -0.60 0.00 -0.55 0.00 0.00 66.41 64.92 3kjg h THR 235 Cb 0.36 1.17 -0.11 0.00 -1.73 0.00 0.00 68.15 67.84 3kjg h THR 235 CO 0.00 0.00 0.10 0.21 -0.25 0.00 0.00 175.52 175.58 3kjg s ASN 236 N -4.75 6.59 0.28 5.36 2.47 -0.48 -4.97 114.94 119.45 3kjg s ASN 236 Ca 0.03 0.71 -0.00 0.00 0.42 0.00 0.00 52.86 54.02 3kjg s ASN 236 Cb 0.09 -2.33 0.48 0.00 -1.45 0.00 0.00 41.25 38.05 3kjg s ASN 236 CO 0.45 -0.31 1.88 1.55 -3.72 0.00 0.00 177.10 176.95 3kjg h PRO 237 N 7.75 1.06 -0.06 0.43 0.13 -1.86 -1.09 132.00 138.36 3kjg h PRO 237 Ca -0.29 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.79 3kjg h PRO 237 Cb 1.13 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 3kjg h PRO 237 CO 0.76 0.70 0.11 0.00 -0.23 0.00 0.00 178.00 179.34 3kjg h ALA 238 N 1.49 1.44 -0.91 -0.56 0.00 -1.93 -2.04 119.26 116.76 3kjg h ALA 238 Ca 0.43 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.41 3kjg h ALA 238 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3kjg h ALA 238 CO -0.18 -0.14 0.57 0.35 0.00 0.00 0.00 179.25 179.85 3kjg h PHE 239 N 0.00 1.05 -0.49 0.00 3.57 -1.47 -1.95 116.94 117.65 3kjg h PHE 239 Ca 0.03 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3kjg h PHE 239 Cb 0.24 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3kjg h PHE 239 CO 0.00 0.52 0.21 0.28 -2.23 0.00 0.00 178.31 177.09 3kjg h VAL 240 N 1.01 0.90 -0.44 1.41 2.07 -1.53 0.83 116.25 120.49 3kjg h VAL 240 Ca 0.40 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.80 3kjg h VAL 240 Cb 0.21 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3kjg h VAL 240 CO -0.19 0.08 0.25 0.78 0.02 0.00 0.00 177.57 178.51 3kjg h ASN 241 N 0.42 0.39 -0.57 0.57 2.35 -1.51 -0.46 115.58 116.77 3kjg h ASN 241 Ca 0.23 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 3kjg h ASN 241 Cb 0.19 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3kjg h ASN 241 CO -0.20 0.28 -0.04 0.25 -1.65 0.00 0.00 177.43 176.07 3kjg h LEU 242 N 0.50 1.03 -1.12 1.61 5.85 -1.03 -0.42 115.31 121.73 3kjg h LEU 242 Ca 0.18 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kjg h LEU 242 Cb 0.04 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 3kjg h LEU 242 CO -0.10 1.11 0.59 -0.74 -0.34 0.00 0.00 178.44 178.96 3kjg h HIS 243 N 0.94 1.12 -0.12 1.25 2.76 -0.33 0.16 115.15 120.94 3kjg h HIS 243 Ca 0.16 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3kjg h HIS 243 Cb 0.60 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3kjg h HIS 243 CO 0.04 0.70 -0.05 -0.44 -1.30 0.00 0.00 177.93 176.88 3kjg h ASP 244 N 1.20 0.24 -0.70 3.26 3.45 -0.69 -2.22 116.42 120.97 3kjg h ASP 244 Ca 0.33 -0.40 0.08 0.00 0.43 0.00 0.00 57.03 57.48 3kjg h ASP 244 Cb -0.12 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 38.51 3kjg h ASP 244 CO -0.08 0.59 0.36 0.40 -1.57 0.00 0.00 179.24 178.94 3kjg h ILE 245 N -0.10 0.88 -0.55 0.35 2.04 -0.63 -0.30 117.51 119.20 3kjg h ILE 245 Ca 0.03 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3kjg h ILE 245 Cb 0.49 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3kjg h ILE 245 CO 0.02 0.11 0.30 0.22 0.00 0.00 0.00 178.15 178.80 3kjg h TYR 246 N 0.62 0.76 -0.09 1.37 3.20 -0.57 -1.69 116.97 120.56 3kjg h TYR 246 Ca 0.34 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 3kjg h TYR 246 Cb 0.32 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3kjg h TYR 246 CO -0.10 0.55 -0.50 1.96 -1.64 0.00 0.00 178.16 178.43 3kjg h GLN 247 N 0.74 0.23 -0.55 1.82 4.20 -0.90 -0.78 115.11 119.86 3kjg h GLN 247 Ca 0.19 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3kjg h GLN 247 Cb 0.04 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3kjg h GLN 247 CO -0.03 0.67 0.18 -0.22 -0.67 0.00 0.00 178.83 178.77 3kjg h LYS 248 N 0.18 0.85 -0.26 1.46 3.64 -0.80 -0.12 116.57 121.53 3kjg h LYS 248 Ca 0.01 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3kjg h LYS 248 Cb 0.94 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3kjg h LYS 248 CO 0.08 0.77 0.15 1.25 -2.27 0.00 0.00 179.45 179.42 3kjg h LEU 249 N 0.77 0.32 -1.03 5.20 6.46 -0.89 -2.53 115.31 123.60 3kjg h LEU 249 Ca 0.18 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3kjg h LEU 249 Cb 0.26 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 3kjg h LEU 249 CO -0.01 0.29 0.38 0.03 -0.62 0.00 0.00 178.44 178.52 3kjg h ARG 250 N 0.31 1.06 -0.31 1.25 2.47 -0.86 -0.35 114.38 117.96 3kjg h ARG 250 Ca 0.09 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3kjg h ARG 250 Cb 0.04 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 3kjg h ARG 250 CO -0.02 0.80 0.12 -0.07 0.56 0.00 0.00 179.97 181.37 3kjg h LEU 251 N 1.06 0.15 0.19 3.04 3.38 -0.61 0.40 115.31 122.93 3kjg h LEU 251 Ca 0.26 0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.92 3kjg h LEU 251 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kjg h LEU 251 CO -0.04 0.12 -1.65 1.05 0.09 0.00 0.00 178.44 178.02 3kjg h GLU 252 N 0.27 0.40 0.00 1.13 4.11 -1.24 -3.38 114.58 115.87 3kjg h GLU 252 Ca 0.13 -0.69 -0.04 0.00 0.07 0.00 0.00 59.36 58.83 3kjg h GLU 252 Cb 0.08 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3kjg h GLU 252 CO -0.12 1.31 -0.97 0.28 0.07 0.00 0.00 179.01 179.58 3kjg h VAL 253 N 0.11 0.15 0.00 -1.06 2.07 -1.10 -3.52 116.25 112.90 3kjg h VAL 253 Ca -0.31 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3kjg h VAL 253 Cb 2.10 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 3kjg h VAL 253 CO 0.20 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.48