#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfj s PRO 57 N 0.00 2.98 -0.06 1.97 0.04 -1.26 -4.96 135.00 133.71 3kfj s PRO 57 Ca 0.00 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3kfj s PRO 57 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3kfj s PRO 57 CO 0.00 -1.13 1.25 -1.01 0.04 0.00 0.00 177.00 176.15 3kfj s HIS 58 N -2.07 3.07 -2.00 0.56 3.76 -1.26 -4.92 115.29 112.43 3kfj s HIS 58 Ca 0.70 1.10 0.13 0.00 -0.15 0.00 0.00 55.06 56.83 3kfj s HIS 58 Cb -0.23 -3.49 0.75 0.00 1.11 0.00 0.00 32.58 30.72 3kfj s HIS 58 CO 0.36 -1.63 1.31 -0.35 -0.85 0.00 0.00 174.74 173.58 3kfj n PRO 59 N 5.41 0.77 0.00 8.40 -0.04 -1.26 -3.52 135.00 144.76 3kfj n PRO 59 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 3kfj n PRO 59 Cb 0.45 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 3kfj n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3kfj n TRP 60 N -0.76 0.00 -3.36 0.54 4.27 -1.26 -4.79 117.44 112.09 3kfj n TRP 60 Ca 0.09 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.29 3kfj n TRP 60 Cb 0.04 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.90 3kfj n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3kfj s PHE 61 N -1.69 3.19 -1.41 -2.67 5.36 -1.23 -0.03 117.98 119.50 3kfj s PHE 61 Ca 0.11 -0.14 0.14 0.00 -0.96 0.00 0.00 56.93 56.08 3kfj s PHE 61 Cb 0.11 -2.77 0.26 0.00 -0.34 0.00 0.00 43.02 40.27 3kfj s PHE 61 CO 0.35 -0.54 1.15 1.19 -1.46 0.00 0.00 175.22 175.90 3kfj n PHE 62 N 5.49 0.32 -2.98 10.12 3.01 -0.73 -4.99 117.46 127.70 3kfj n PHE 62 Ca -0.08 -0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.11 3kfj n PHE 62 Cb 0.49 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 3kfj n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kfj n GLY 63 N 0.77 3.25 2.96 1.37 0.00 -1.26 -3.98 105.19 108.31 3kfj n GLY 63 Ca 0.12 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3kfj n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kfj n LYS 64 N 14.00 3.42 -4.36 1.61 4.81 -1.26 -0.26 118.16 136.12 3kfj n LYS 64 Ca 0.00 -3.39 -0.34 0.00 -0.87 0.00 0.00 58.31 53.70 3kfj n LYS 64 Cb 0.00 -3.04 -0.10 0.00 0.02 0.00 0.00 35.03 31.91 3kfj n LYS 64 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3kfj s ILE 65 N 1.26 4.19 0.80 3.15 -4.36 -1.26 -4.99 121.20 120.00 3kfj s ILE 65 Ca 0.42 -0.28 -0.14 0.00 -0.26 0.00 0.00 60.65 60.40 3kfj s ILE 65 Cb 0.08 -2.79 0.06 0.00 1.25 0.00 0.00 42.46 41.06 3kfj s ILE 65 CO -0.01 0.56 1.02 -2.65 0.24 0.00 0.00 174.94 174.10 3kfj n PRO 66 N 2.70 0.19 -0.36 0.37 -0.02 -1.26 -4.73 135.00 131.89 3kfj n PRO 66 Ca -0.18 0.13 0.10 0.00 -2.02 0.00 0.00 63.50 61.53 3kfj n PRO 66 Cb 0.53 -2.29 0.27 0.00 -0.02 0.00 0.00 33.50 31.99 3kfj n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kfj h ARG 67 N -0.83 0.88 -0.32 -0.52 2.43 -1.99 -1.66 114.38 112.38 3kfj h ARG 67 Ca -0.46 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.51 3kfj h ARG 67 Cb 1.31 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3kfj h ARG 67 CO 0.45 0.58 -0.38 0.00 -1.51 0.00 0.00 179.97 179.11 3kfj h ALA 68 N 1.58 0.73 0.00 2.80 0.00 -2.00 -2.46 119.26 119.92 3kfj h ALA 68 Ca 0.53 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kfj h ALA 68 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kfj h ALA 68 CO -0.31 0.66 -0.38 -0.22 0.00 0.00 0.00 179.25 178.99 3kfj h LYS 69 N 0.62 0.00 -0.21 0.00 1.63 -1.68 -1.05 116.57 115.89 3kfj h LYS 69 Ca 0.06 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.67 3kfj h LYS 69 Cb 0.92 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 3kfj h LYS 69 CO 0.08 0.38 -0.62 0.00 -3.45 0.00 0.00 179.45 175.85 3kfj h ALA 70 N 1.62 0.51 -0.28 5.00 0.00 -1.18 -2.05 119.26 122.87 3kfj h ALA 70 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 3kfj h ALA 70 Cb 0.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kfj h ALA 70 CO 0.05 0.69 -0.48 0.93 0.00 0.00 0.00 179.25 180.44 3kfj h GLU 71 N 0.53 0.76 -0.43 0.00 5.08 -1.08 -1.68 114.58 117.77 3kfj h GLU 71 Ca -0.01 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3kfj h GLU 71 Cb 1.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3kfj h GLU 71 CO 0.13 1.07 0.21 1.49 -1.00 0.00 0.00 179.01 180.90 3kfj h GLU 72 N 0.60 0.62 -0.08 2.33 4.81 -1.13 -1.04 114.58 120.71 3kfj h GLU 72 Ca 0.03 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3kfj h GLU 72 Cb 1.05 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 3kfj h GLU 72 CO 0.10 0.54 -0.02 1.98 -0.73 0.00 0.00 179.01 180.88 3kfj h MET 73 N 0.56 0.15 0.00 1.92 4.05 -1.31 -3.24 114.93 117.05 3kfj h MET 73 Ca 0.15 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 3kfj h MET 73 Cb 0.12 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3kfj h MET 73 CO -0.02 0.48 -0.08 -0.07 0.23 0.00 0.00 176.91 177.45 3kfj h LEU 74 N -0.19 0.00 -1.50 3.39 3.38 -1.27 -2.84 115.31 116.28 3kfj h LEU 74 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kfj h LEU 74 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kfj h LEU 74 CO 0.01 0.08 -0.08 0.28 0.09 0.00 0.00 178.44 178.81 3kfj h SER 75 N 0.00 0.00 0.53 -0.43 0.02 -1.21 -2.23 113.55 110.22 3kfj h SER 75 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kfj h SER 75 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3kfj h SER 75 CO 0.01 0.08 -0.32 0.29 -1.14 0.00 0.00 176.83 175.76 3kfj n LYS 76 N -3.25 0.23 -2.86 3.45 5.02 -1.07 -4.86 118.16 114.81 3kfj n LYS 76 Ca -0.00 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.78 3kfj n LYS 76 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3kfj n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kfj s GLN 77 N -2.84 4.70 0.05 1.97 -1.52 -0.84 -5.00 119.66 116.17 3kfj s GLN 77 Ca 0.16 1.32 -0.11 0.00 -1.95 0.00 0.00 55.36 54.78 3kfj s GLN 77 Cb 0.18 -3.28 -0.32 0.00 -0.22 0.00 0.00 33.01 29.37 3kfj s GLN 77 CO 0.61 0.51 1.06 0.00 -0.25 0.00 0.00 175.29 177.21 3kfj h ARG 78 N 4.41 0.42 -5.79 2.91 3.08 -1.89 -3.47 114.38 114.04 3kfj h ARG 78 Ca -0.46 -0.72 -0.63 0.00 0.07 0.00 0.00 59.98 58.25 3kfj h ARG 78 Cb 1.20 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 31.45 3kfj h ARG 78 CO 0.68 1.34 -0.31 -1.01 -1.07 0.00 0.00 179.97 179.59 3kfj s HIS 79 N -2.62 3.64 0.08 3.04 3.76 -1.26 -5.02 115.29 116.91 3kfj s HIS 79 Ca -0.07 0.77 -0.31 0.00 -0.15 0.00 0.00 55.06 55.30 3kfj s HIS 79 Cb 0.05 -2.19 -0.08 0.00 1.11 0.00 0.00 32.58 31.48 3kfj s HIS 79 CO 0.92 0.60 1.44 -0.51 -0.85 0.00 0.00 174.74 176.34 3kfj s ASP 80 N -0.77 6.78 0.00 1.40 1.01 -1.26 -2.50 116.67 121.33 3kfj s ASP 80 Ca 0.20 2.32 0.00 0.00 0.71 0.00 0.00 52.55 55.78 3kfj s ASP 80 Cb -0.14 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3kfj s ASP 80 CO 0.09 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.36 3kfj n GLY 81 N 3.62 1.83 3.69 0.21 0.00 -0.07 -4.76 105.19 109.72 3kfj n GLY 81 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3kfj n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfj s ALA 82 N -2.17 3.76 0.31 4.61 0.00 -1.04 -1.38 121.76 125.85 3kfj s ALA 82 Ca 0.00 1.43 0.06 0.00 0.00 0.00 0.00 51.96 53.45 3kfj s ALA 82 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3kfj s ALA 82 CO 0.00 -1.21 0.23 1.97 0.00 0.00 0.00 175.76 176.75 3kfj n PHE 83 N 5.63 -0.53 -3.56 0.00 1.16 -1.21 -0.96 117.46 117.99 3kfj n PHE 83 Ca 0.17 -2.46 -0.15 0.00 -1.87 0.00 0.00 57.45 53.15 3kfj n PHE 83 Cb 0.38 0.20 -0.06 0.00 -1.61 0.00 0.00 39.48 38.40 3kfj n PHE 83 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3kfj s LEU 84 N 0.00 -0.59 -0.16 5.98 0.05 -0.85 -4.50 118.68 118.61 3kfj s LEU 84 Ca 0.32 0.76 -0.05 0.00 0.05 0.00 0.00 54.13 55.20 3kfj s LEU 84 Cb 0.02 2.32 -0.04 0.00 -2.05 0.00 0.00 46.19 46.44 3kfj s LEU 84 CO 0.23 -0.46 0.02 -0.63 -0.55 0.00 0.00 176.35 174.96 3kfj s ILE 85 N -0.84 4.43 0.24 1.48 -1.09 0.95 -1.53 121.20 124.84 3kfj s ILE 85 Ca -0.06 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.23 3kfj s ILE 85 Cb -0.01 -2.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.86 3kfj s ILE 85 CO 0.06 0.50 -0.02 0.00 -1.23 0.00 0.00 174.94 174.24 3kfj s ARG 86 N 0.15 1.38 -0.34 2.79 1.70 -0.18 -1.77 118.95 122.68 3kfj s ARG 86 Ca 0.02 -1.69 -0.12 0.00 -0.47 0.00 0.00 55.73 53.47 3kfj s ARG 86 Cb -0.13 -0.74 -0.01 0.00 -0.57 0.00 0.00 34.95 33.50 3kfj s ARG 86 CO 0.01 -0.06 0.22 -1.21 -1.08 0.00 0.00 175.30 173.19 3kfj s GLU 87 N -3.83 3.39 0.29 3.89 2.02 0.64 -0.80 118.70 124.31 3kfj s GLU 87 Ca 0.28 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 3kfj s GLU 87 Cb 0.05 -3.76 -0.13 0.00 0.10 0.00 0.00 34.13 30.39 3kfj s GLU 87 CO 0.09 -0.47 1.29 0.45 0.02 0.00 0.00 175.26 176.64 3kfj n SER 88 N 5.08 2.52 -0.03 -0.19 2.88 -0.40 -4.45 113.62 119.03 3kfj n SER 88 Ca -0.13 1.18 -0.13 0.00 -1.33 0.00 0.00 58.87 58.46 3kfj n SER 88 Cb 0.49 -1.43 -0.14 0.00 -0.75 0.00 0.00 64.21 62.38 3kfj n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kfj n GLU 89 N 1.17 0.68 0.20 -1.46 1.02 -1.26 -3.92 120.64 117.06 3kfj n GLU 89 Ca 0.08 0.23 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 3kfj n GLU 89 Cb 0.33 -1.71 0.31 0.00 -0.02 0.00 0.00 31.44 30.36 3kfj n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kfj h SER 90 N 0.02 0.00 -2.65 1.62 4.64 -1.98 -3.38 113.55 111.82 3kfj h SER 90 Ca -0.39 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.34 3kfj h SER 90 Cb 2.05 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.75 3kfj h SER 90 CO 0.06 0.30 -0.87 0.00 -0.87 0.00 0.00 176.83 175.46 3kfj s ALA 91 N -3.43 1.33 0.19 5.18 0.00 -1.26 -5.13 121.76 118.65 3kfj s ALA 91 Ca 0.02 -2.21 -0.33 0.00 0.00 0.00 0.00 51.96 49.44 3kfj s ALA 91 Cb 0.09 -1.66 -0.13 0.00 0.00 0.00 0.00 23.12 21.43 3kfj s ALA 91 CO 0.67 -2.06 1.65 -2.30 0.00 0.00 0.00 175.76 173.73 3kfj n PRO 92 N 3.52 2.49 0.00 0.00 -0.02 -1.25 -2.16 135.00 137.58 3kfj n PRO 92 Ca 0.18 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3kfj n PRO 92 Cb 0.40 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3kfj n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kfj n GLY 93 N 3.65 0.91 3.76 -1.23 0.00 -1.26 -5.06 105.19 105.96 3kfj n GLY 93 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3kfj n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfj s ASP 94 N -1.75 5.48 0.18 1.61 1.11 -0.92 -5.05 116.67 117.33 3kfj s ASP 94 Ca 0.00 0.00 0.04 0.00 0.18 0.00 0.00 52.55 52.77 3kfj s ASP 94 Cb 0.00 -1.47 -0.04 0.00 1.07 0.00 0.00 42.92 42.48 3kfj s ASP 94 CO 0.00 0.20 0.23 -0.36 1.18 0.00 0.00 175.17 176.41 3kfj s PHE 95 N -1.33 3.31 0.02 4.23 0.40 -1.26 -1.27 117.98 122.07 3kfj s PHE 95 Ca 0.27 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.65 3kfj s PHE 95 Cb -0.12 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 3kfj s PHE 95 CO 0.19 0.51 -0.09 -1.12 0.70 0.00 0.00 175.22 175.42 3kfj s SER 96 N -3.35 0.99 -0.23 1.36 0.01 0.02 -1.58 113.70 110.92 3kfj s SER 96 Ca 0.33 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 3kfj s SER 96 Cb -0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 3kfj s SER 96 CO 0.26 -0.02 0.00 -0.22 0.41 0.00 0.00 173.24 173.68 3kfj s LEU 97 N -0.80 3.14 -0.18 2.44 0.20 0.95 -1.01 118.68 123.42 3kfj s LEU 97 Ca -0.01 -0.30 -0.03 0.00 0.69 0.00 0.00 54.13 54.47 3kfj s LEU 97 Cb -0.06 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.87 3kfj s LEU 97 CO 0.00 -0.02 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.55 3kfj s SER 98 N 1.48 4.38 -0.01 3.68 0.01 -0.58 -0.05 113.70 122.61 3kfj s SER 98 Ca 0.06 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.06 3kfj s SER 98 Cb -0.15 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 3kfj s SER 98 CO -0.00 0.08 -0.14 -0.69 0.41 0.00 0.00 173.24 172.90 3kfj s VAL 99 N 0.89 1.10 0.05 3.43 1.01 0.10 -2.02 120.40 124.96 3kfj s VAL 99 Ca -0.01 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 3kfj s VAL 99 Cb -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3kfj s VAL 99 CO 0.01 0.30 0.84 -0.75 0.00 0.00 0.00 175.10 175.50 3kfj s LYS 100 N -0.35 4.55 -0.26 2.72 2.47 -0.13 -0.02 119.74 128.72 3kfj s LYS 100 Ca 0.05 1.20 -0.02 0.00 -1.56 0.00 0.00 55.97 55.64 3kfj s LYS 100 Cb -0.05 -3.39 0.15 0.00 -1.46 0.00 0.00 37.83 33.08 3kfj s LYS 100 CO -0.00 0.20 0.45 0.12 0.16 0.00 0.00 175.35 176.27 3kfj s PHE 101 N 0.19 -1.06 0.00 4.03 2.19 -0.70 -0.89 117.98 121.73 3kfj s PHE 101 Ca 0.42 1.12 0.00 0.00 0.33 0.00 0.00 56.93 58.80 3kfj s PHE 101 Cb -0.21 0.19 0.00 0.00 -1.31 0.00 0.00 43.02 41.69 3kfj s PHE 101 CO 0.25 -0.76 0.00 0.41 1.83 0.00 0.00 175.22 176.94 3kfj n GLY 102 N 5.38 2.62 2.11 13.12 0.00 -1.26 -1.99 105.19 125.18 3kfj n GLY 102 Ca -0.03 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3kfj n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kfj n ASN 103 N 3.00 5.51 -4.19 1.61 5.03 -1.26 -4.92 115.26 120.04 3kfj n ASN 103 Ca 0.00 -3.73 -0.13 0.00 0.87 0.00 0.00 54.58 51.59 3kfj n ASN 103 Cb 0.00 -0.82 -0.10 0.00 -1.02 0.00 0.00 39.78 37.83 3kfj n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3kfj s ASP 104 N -1.96 1.40 -0.12 6.41 -0.00 -0.84 -5.11 116.67 116.45 3kfj s ASP 104 Ca 0.58 -0.91 0.00 0.00 -0.00 0.00 0.00 52.55 52.23 3kfj s ASP 104 Cb 0.48 0.03 0.02 0.00 -0.00 0.00 0.00 42.92 43.45 3kfj s ASP 104 CO 0.03 -0.34 -0.12 -0.69 -0.00 0.00 0.00 175.17 174.05 3kfj s VAL 105 N -2.97 1.33 -0.05 -1.27 1.01 -1.26 -1.72 120.40 115.48 3kfj s VAL 105 Ca 0.09 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3kfj s VAL 105 Cb 0.01 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3kfj s VAL 105 CO -0.01 0.41 0.33 -1.10 0.00 0.00 0.00 175.10 174.73 3kfj s GLN 106 N 1.41 3.83 -0.09 2.72 -0.21 0.97 -4.90 119.66 123.38 3kfj s GLN 106 Ca 0.01 0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.66 3kfj s GLN 106 Cb -0.13 -3.23 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 3kfj s GLN 106 CO -0.07 0.67 -0.16 -1.01 -2.12 0.00 0.00 175.29 172.60 3kfj s HIS 107 N -0.91 2.71 -0.03 0.91 3.76 -1.26 0.00 115.29 120.47 3kfj s HIS 107 Ca 0.21 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.61 3kfj s HIS 107 Cb -0.15 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 3kfj s HIS 107 CO 0.10 -0.12 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.64 3kfj s PHE 108 N -0.03 1.65 -0.05 1.40 0.40 0.92 -4.98 117.98 117.29 3kfj s PHE 108 Ca -0.04 -0.41 -0.23 0.00 -0.60 0.00 0.00 56.93 55.65 3kfj s PHE 108 Cb -0.14 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 3kfj s PHE 108 CO 0.04 -0.11 0.69 -1.59 0.70 0.00 0.00 175.22 174.95 3kfj s LYS 109 N -0.14 4.43 -0.56 0.44 -2.85 -1.26 -0.04 119.74 119.77 3kfj s LYS 109 Ca 0.00 0.87 -0.27 0.00 -1.00 0.00 0.00 55.97 55.58 3kfj s LYS 109 Cb -0.10 -3.43 0.03 0.00 -2.06 0.00 0.00 37.83 32.28 3kfj s LYS 109 CO 0.01 0.11 1.10 0.08 0.10 0.00 0.00 175.35 176.75 3kfj s VAL 110 N 0.64 4.17 0.48 1.79 1.01 -0.61 -4.70 120.40 123.18 3kfj s VAL 110 Ca 0.37 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.95 3kfj s VAL 110 Cb -0.18 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.49 3kfj s VAL 110 CO 0.18 -1.22 0.90 -0.76 0.00 0.00 0.00 175.10 174.20 3kfj s LEU 111 N 4.55 3.68 0.10 3.92 1.43 0.67 -4.43 118.68 128.60 3kfj s LEU 111 Ca 0.39 1.38 0.09 0.00 -1.03 0.00 0.00 54.13 54.96 3kfj s LEU 111 Cb -0.09 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 3kfj s LEU 111 CO 0.24 -0.53 -0.23 -0.13 0.23 0.00 0.00 176.35 175.93 3kfj s ARG 112 N -4.06 1.33 0.22 1.70 1.81 -1.26 -1.26 118.95 117.42 3kfj s ARG 112 Ca 0.55 -1.19 0.02 0.00 -1.72 0.00 0.00 55.73 53.40 3kfj s ARG 112 Cb -0.10 -1.64 0.04 0.00 -0.45 0.00 0.00 34.95 32.80 3kfj s ARG 112 CO 0.33 0.39 0.30 -0.40 -0.68 0.00 0.00 175.30 175.25 3kfj n ASP 113 N 1.21 0.66 0.22 0.23 3.85 -1.09 -4.97 116.55 116.67 3kfj n ASP 113 Ca -0.18 -1.50 0.07 0.00 -0.71 0.00 0.00 54.79 52.47 3kfj n ASP 113 Cb 0.53 -0.17 0.52 0.00 -1.35 0.00 0.00 41.12 40.65 3kfj n ASP 113 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3kfj h GLY 114 N -0.04 0.00 -0.61 6.12 0.00 -2.02 -2.98 103.07 103.55 3kfj h GLY 114 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kfj h GLY 114 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.67 3kfj n ALA 115 N -2.40 2.56 -0.47 3.60 0.00 -1.26 -4.94 120.51 117.60 3kfj n ALA 115 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3kfj n ALA 115 Cb 0.32 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3kfj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kfj n GLY 116 N 1.19 0.75 3.83 0.00 0.00 -1.13 -5.07 105.19 104.75 3kfj n GLY 116 Ca 0.18 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3kfj n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfj s LYS 117 N -0.64 3.82 -0.16 1.61 1.02 -1.26 -4.84 119.74 119.29 3kfj s LYS 117 Ca 0.00 1.07 -0.07 0.00 0.02 0.00 0.00 55.97 56.99 3kfj s LYS 117 Cb 0.00 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3kfj s LYS 117 CO 0.00 -0.38 0.06 0.71 -0.92 0.00 0.00 175.35 174.82 3kfj s TYR 118 N -2.48 3.29 0.14 3.18 1.51 0.48 -2.66 117.35 120.81 3kfj s TYR 118 Ca 0.61 0.15 -0.14 0.00 -1.01 0.00 0.00 57.07 56.69 3kfj s TYR 118 Cb -0.12 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 3kfj s TYR 118 CO 0.30 0.28 0.36 -0.59 -1.11 0.00 0.00 175.55 174.79 3kfj s PHE 119 N -0.01 -0.01 -0.15 2.71 -0.12 -0.39 -0.84 117.98 119.16 3kfj s PHE 119 Ca 0.06 -0.34 -0.03 0.00 -0.05 0.00 0.00 56.93 56.56 3kfj s PHE 119 Cb -0.12 0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 42.36 3kfj s PHE 119 CO 0.01 -0.72 -0.16 1.28 -0.05 0.00 0.00 175.22 175.58 3kfj n LEU 120 N -0.21 1.99 0.00 -1.99 4.77 -1.26 -0.24 117.00 120.06 3kfj n LEU 120 Ca -0.13 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3kfj n LEU 120 Cb 0.63 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kfj n LEU 120 CO 0.19 0.52 0.00 0.79 -1.33 0.00 0.00 177.39 177.56 3kfj n TRP 121 N -3.32 0.00 0.00 -1.77 7.02 -1.26 -4.85 117.44 113.26 3kfj n TRP 121 Ca -0.28 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.20 3kfj n TRP 121 Cb 0.74 0.09 0.00 0.00 -2.42 0.00 0.00 31.31 29.72 3kfj n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3kfj n VAL 122 N -1.99 0.04 -2.39 -0.99 0.31 -1.26 -5.05 118.33 106.99 3kfj n VAL 122 Ca 0.00 0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 3kfj n VAL 122 Cb 0.00 -1.19 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 3kfj n VAL 122 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kfj s VAL 123 N -2.00 4.18 0.15 2.52 1.01 -1.26 -5.03 120.40 119.97 3kfj s VAL 123 Ca 0.00 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.51 3kfj s VAL 123 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3kfj s VAL 123 CO 0.00 -0.08 0.01 -1.59 0.00 0.00 0.00 175.10 173.44 3kfj s LYS 124 N 3.02 2.47 0.14 2.72 -2.85 -1.26 -4.45 119.74 119.52 3kfj s LYS 124 Ca 0.57 -1.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.56 3kfj s LYS 124 Cb -0.24 -2.43 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 3kfj s LYS 124 CO 0.19 0.48 -0.07 -0.06 0.10 0.00 0.00 175.35 175.99 3kfj s PHE 125 N -1.59 1.13 -0.27 1.78 0.40 -0.02 -4.92 117.98 114.49 3kfj s PHE 125 Ca 0.27 -0.86 0.28 0.00 -0.60 0.00 0.00 56.93 56.02 3kfj s PHE 125 Cb -0.10 -0.61 1.00 0.00 0.51 0.00 0.00 43.02 43.81 3kfj s PHE 125 CO 0.19 -0.05 1.81 -0.91 0.70 0.00 0.00 175.22 176.96 3kfj h ASN 126 N 2.82 0.00 -5.23 1.36 2.35 -1.94 0.14 115.58 115.08 3kfj h ASN 126 Ca -0.36 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.29 3kfj h ASN 126 Cb 1.18 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.42 3kfj h ASN 126 CO 0.64 0.00 -0.37 -0.94 -1.65 0.00 0.00 177.43 175.11 3kfj s SER 127 N -5.23 0.10 0.23 5.81 1.04 -1.26 -4.86 113.70 109.54 3kfj s SER 127 Ca 0.04 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 55.66 3kfj s SER 127 Cb 0.09 0.38 0.25 0.00 0.10 0.00 0.00 66.02 66.84 3kfj s SER 127 CO 0.53 -0.81 1.61 -0.07 0.98 0.00 0.00 173.24 175.49 3kfj h LEU 128 N 2.67 0.56 -0.52 2.42 3.38 -1.95 -2.67 115.31 119.20 3kfj h LEU 128 Ca -0.33 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.44 3kfj h LEU 128 Cb 1.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3kfj h LEU 128 CO 0.53 0.89 0.28 -1.13 0.09 0.00 0.00 178.44 179.09 3kfj h ASN 129 N 0.44 0.42 0.41 -0.43 -0.00 -1.99 -0.16 115.58 114.26 3kfj h ASN 129 Ca 0.04 0.02 -0.15 0.00 -0.00 0.00 0.00 56.30 56.21 3kfj h ASN 129 Cb 0.87 -0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.12 3kfj h ASN 129 CO 0.07 0.29 -0.63 -0.33 -0.00 0.00 0.00 177.43 176.83 3kfj h GLU 130 N 0.54 0.22 -0.26 6.67 5.08 -1.95 -2.08 114.58 122.81 3kfj h GLU 130 Ca 0.22 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3kfj h GLU 130 Cb 0.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kfj h GLU 130 CO -0.14 0.78 -0.05 1.25 -1.00 0.00 0.00 179.01 179.85 3kfj h LEU 131 N 0.16 0.49 -0.10 1.33 5.85 -1.08 -1.78 115.31 120.18 3kfj h LEU 131 Ca -0.01 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3kfj h LEU 131 Cb 1.15 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 3kfj h LEU 131 CO 0.10 0.73 0.06 0.58 -0.34 0.00 0.00 178.44 179.57 3kfj h VAL 132 N 0.24 1.05 -0.59 1.05 2.07 -1.03 -2.22 116.25 116.81 3kfj h VAL 132 Ca 0.07 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3kfj h VAL 132 Cb 0.51 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3kfj h VAL 132 CO 0.02 0.04 0.26 0.44 0.02 0.00 0.00 177.57 178.35 3kfj h ASP 133 N 0.11 0.77 -0.36 0.57 3.32 -1.29 -2.44 116.42 117.10 3kfj h ASP 133 Ca 0.04 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3kfj h ASP 133 Cb 0.02 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3kfj h ASP 133 CO -0.01 0.68 -0.05 0.22 -1.72 0.00 0.00 179.24 178.36 3kfj h TYR 134 N 0.84 0.74 0.00 4.55 3.20 -1.21 -2.94 116.97 122.16 3kfj h TYR 134 Ca 0.20 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3kfj h TYR 134 Cb 0.13 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3kfj h TYR 134 CO 0.01 0.80 0.00 0.72 -1.64 0.00 0.00 178.16 178.05 3kfj n HIS 135 N -4.43 0.00 0.12 -3.82 8.25 -0.85 -1.92 115.22 112.57 3kfj n HIS 135 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 3kfj n HIS 135 Cb 0.32 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.46 3kfj n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kfj h ARG 136 N 0.00 0.00 -0.00 -0.41 3.08 -1.34 -1.58 114.38 114.13 3kfj h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kfj h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kfj h ARG 136 CO 0.00 0.05 -0.01 -1.13 -1.07 0.00 0.00 179.97 177.82 3kfj n SER 137 N -2.82 0.54 -3.92 7.04 3.41 -0.81 -4.37 113.62 112.70 3kfj n SER 137 Ca -0.00 -0.77 -0.21 0.00 -0.26 0.00 0.00 58.87 57.63 3kfj n SER 137 Cb 0.59 0.48 -0.16 0.00 -0.26 0.00 0.00 64.21 64.86 3kfj n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kfj s THR 138 N -0.52 0.67 0.35 6.66 2.01 -0.95 -5.10 115.64 118.76 3kfj s THR 138 Ca 0.00 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 3kfj s THR 138 Cb 0.00 -0.67 -0.12 0.00 0.01 0.00 0.00 72.50 71.73 3kfj s THR 138 CO 0.01 0.25 1.20 -0.24 -0.69 0.00 0.00 174.62 175.15 3kfj n SER 139 N 4.01 2.27 0.16 3.53 2.88 -1.26 -4.29 113.62 120.91 3kfj n SER 139 Ca -0.24 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.59 3kfj n SER 139 Cb 0.51 -1.43 0.13 0.00 -0.75 0.00 0.00 64.21 62.66 3kfj n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3kfj h VAL 140 N 2.25 0.00 -3.33 2.46 -1.51 -1.64 -3.47 116.25 111.02 3kfj h VAL 140 Ca -0.45 -0.92 -0.66 0.00 -1.23 0.00 0.00 66.70 63.44 3kfj h VAL 140 Cb 1.30 1.70 -0.13 0.00 -2.13 0.00 0.00 31.29 32.04 3kfj h VAL 140 CO 0.61 0.00 -0.64 -0.55 -1.23 0.00 0.00 177.57 175.76 3kfj s SER 141 N -5.61 5.15 0.00 4.19 0.15 -1.26 -5.00 113.70 111.32 3kfj s SER 141 Ca 0.04 -0.05 0.25 0.00 0.70 0.00 0.00 55.95 56.89 3kfj s SER 141 Cb 0.08 -1.32 0.38 0.00 -1.71 0.00 0.00 66.02 63.44 3kfj s SER 141 CO 0.71 0.24 1.33 0.54 1.20 0.00 0.00 173.24 177.27 3kfj n ARG 142 N 1.06 1.25 -0.06 5.44 1.74 -1.26 -4.30 116.66 120.53 3kfj n ARG 142 Ca -0.13 -0.93 -0.06 0.00 -0.77 0.00 0.00 57.85 55.96 3kfj n ARG 142 Cb 0.52 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 3kfj n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kfj n ASN 143 N -0.06 2.12 -4.20 0.55 5.03 -1.26 -5.05 115.26 112.38 3kfj n ASN 143 Ca 0.12 -0.01 -0.12 0.00 0.87 0.00 0.00 54.58 55.44 3kfj n ASN 143 Cb 0.43 0.69 -0.10 0.00 -1.02 0.00 0.00 39.78 39.78 3kfj n ASN 143 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kfj s GLN 144 N -2.29 1.03 -0.75 3.52 1.11 -1.26 -5.10 119.66 115.93 3kfj s GLN 144 Ca -0.07 -1.50 -0.19 0.00 0.01 0.00 0.00 55.36 53.61 3kfj s GLN 144 Cb 0.04 -0.05 0.12 0.00 -1.01 0.00 0.00 33.01 32.11 3kfj s GLN 144 CO 0.48 -0.19 0.89 -0.65 0.01 0.00 0.00 175.29 175.84 3kfj s GLN 145 N -3.97 3.32 -0.24 2.91 -1.52 -1.26 -4.22 119.66 114.67 3kfj s GLN 145 Ca 0.24 -1.55 0.02 0.00 -1.95 0.00 0.00 55.36 52.12 3kfj s GLN 145 Cb 0.07 -4.50 0.05 0.00 -0.22 0.00 0.00 33.01 28.41 3kfj s GLN 145 CO 0.03 -1.63 -0.13 0.42 -0.25 0.00 0.00 175.29 173.73 3kfj s ILE 146 N 2.55 2.16 -0.18 1.08 1.01 -1.26 -5.05 121.20 121.51 3kfj s ILE 146 Ca 0.21 -1.44 -0.05 0.00 0.00 0.00 0.00 60.65 59.37 3kfj s ILE 146 Cb -0.15 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3kfj s ILE 146 CO -0.01 0.12 0.00 -0.36 0.00 0.00 0.00 174.94 174.70 3kfj s PHE 147 N 1.15 3.08 0.15 3.97 0.40 -1.26 -1.89 117.98 123.58 3kfj s PHE 147 Ca -0.05 -0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 3kfj s PHE 147 Cb -0.18 -2.04 -0.11 0.00 0.51 0.00 0.00 43.02 41.20 3kfj s PHE 147 CO -0.07 -0.08 1.77 -0.51 0.70 0.00 0.00 175.22 177.03 3kfj s LEU 148 N 0.65 4.39 0.01 -0.37 1.43 -0.59 -4.34 118.68 119.85 3kfj s LEU 148 Ca -0.00 2.77 0.02 0.00 -1.03 0.00 0.00 54.13 55.89 3kfj s LEU 148 Cb -0.14 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 3kfj s LEU 148 CO 0.02 -0.98 -0.06 0.00 0.23 0.00 0.00 176.35 175.56 3kfj s ARG 149 N 2.16 0.46 0.33 1.70 1.70 -0.48 -4.40 118.95 120.42 3kfj s ARG 149 Ca 0.78 -0.38 -0.29 0.00 -0.47 0.00 0.00 55.73 55.37 3kfj s ARG 149 Cb -0.47 -0.38 -0.12 0.00 -0.57 0.00 0.00 34.95 33.42 3kfj s ARG 149 CO 0.34 0.09 1.37 -0.25 -1.08 0.00 0.00 175.30 175.77 3kfj n ASP 150 N 2.44 3.04 -4.75 -2.89 8.00 -1.26 -3.28 116.55 117.84 3kfj n ASP 150 Ca -0.16 1.20 -0.34 0.00 0.71 0.00 0.00 54.79 56.19 3kfj n ASP 150 Cb 0.57 -1.51 0.06 0.00 -0.02 0.00 0.00 41.12 40.22 3kfj n ASP 150 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kfj s ILE 151 N -0.87 2.75 -0.55 0.53 -4.36 -1.26 -4.86 121.20 112.58 3kfj s ILE 151 Ca 0.57 0.39 -0.23 0.00 -0.26 0.00 0.00 60.65 61.13 3kfj s ILE 151 Cb -0.56 -2.98 0.05 0.00 1.25 0.00 0.00 42.46 40.22 3kfj s ILE 151 CO 0.60 -0.18 0.87 -1.61 0.24 0.00 0.00 174.94 174.86 3kfj s GLU 152 N -3.79 3.27 0.63 0.37 2.02 -1.26 -5.02 118.70 114.91 3kfj s GLU 152 Ca 0.72 -0.45 -0.14 0.00 0.02 0.00 0.00 54.97 55.12 3kfj s GLU 152 Cb -0.26 -4.08 -0.02 0.00 0.10 0.00 0.00 34.13 29.87 3kfj s GLU 152 CO 0.40 -1.45 1.06 -0.65 0.02 0.00 0.00 175.26 174.64 3kfj s GLN 153 N 3.65 3.15 -0.19 1.61 -0.21 -1.26 -5.03 119.66 121.38 3kfj s GLN 153 Ca 0.26 1.17 -0.26 0.00 0.02 0.00 0.00 55.36 56.54 3kfj s GLN 153 Cb -0.14 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 3kfj s GLN 153 CO 0.17 -0.94 0.89 0.08 -2.12 0.00 0.00 175.29 173.37 3kfj s VAL 154 N -2.59 4.82 -2.00 1.09 1.01 -1.26 -5.28 120.40 116.19 3kfj s VAL 154 Ca 0.63 1.75 0.09 0.00 0.00 0.00 0.00 61.98 64.45 3kfj s VAL 154 Cb -0.16 -4.19 0.26 0.00 0.00 0.00 0.00 36.38 32.29 3kfj s VAL 154 CO 0.42 -0.03 1.00 -0.81 0.00 0.00 0.00 175.10 175.67