#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imj n LYS 56 N 0.00 -3.38 -1.64 3.17 5.02 -1.26 -5.01 118.16 115.07 3imj n LYS 56 Ca 0.00 2.58 -0.32 0.00 -2.02 0.00 0.00 58.31 58.55 3imj n LYS 56 Cb 0.00 -2.58 0.06 0.00 -0.02 0.00 0.00 35.03 32.49 3imj n LYS 56 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3imj s PRO 57 N -1.67 2.72 0.03 1.97 0.04 -1.26 -4.97 135.00 131.86 3imj s PRO 57 Ca 0.00 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 3imj s PRO 57 Cb 0.00 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 3imj s PRO 57 CO 0.00 -1.30 1.54 -1.01 0.04 0.00 0.00 177.00 176.27 3imj s HIS 58 N -2.57 2.61 -2.00 0.56 3.76 -1.26 -4.90 115.29 111.49 3imj s HIS 58 Ca 0.64 0.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.12 3imj s HIS 58 Cb -0.18 -3.82 0.11 0.00 1.11 0.00 0.00 32.58 29.80 3imj s HIS 58 CO 0.46 -3.21 0.86 -0.35 -0.85 0.00 0.00 174.74 171.65 3imj n PRO 59 N 5.53 0.78 0.00 8.40 -0.04 -1.26 -3.58 135.00 144.83 3imj n PRO 59 Ca 0.15 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 3imj n PRO 59 Cb 0.42 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.80 3imj n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3imj n TRP 60 N -0.54 0.00 -3.24 0.54 4.27 -1.26 -4.67 117.44 112.54 3imj n TRP 60 Ca 0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 3imj n TRP 60 Cb 0.01 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.88 3imj n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3imj s PHE 61 N -1.80 3.16 -1.61 -2.67 5.36 -1.23 -0.09 117.98 119.10 3imj s PHE 61 Ca 0.04 0.02 0.14 0.00 -0.96 0.00 0.00 56.93 56.18 3imj s PHE 61 Cb 0.07 -2.98 0.21 0.00 -0.34 0.00 0.00 43.02 39.98 3imj s PHE 61 CO 0.36 -0.62 1.08 1.19 -1.46 0.00 0.00 175.22 175.77 3imj n PHE 62 N 5.78 0.20 -4.02 10.12 3.01 -0.78 -4.98 117.46 126.78 3imj n PHE 62 Ca -0.05 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.25 3imj n PHE 62 Cb 0.48 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3imj n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3imj n GLY 63 N 0.81 2.44 2.11 1.37 0.00 -1.25 -3.63 105.19 107.03 3imj n GLY 63 Ca 0.11 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3imj n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3imj n LYS 64 N 13.51 2.22 -2.69 1.61 4.81 -1.26 -0.32 118.16 136.05 3imj n LYS 64 Ca 0.00 -1.34 -0.42 0.00 -0.87 0.00 0.00 58.31 55.67 3imj n LYS 64 Cb 0.00 -2.09 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 3imj n LYS 64 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3imj s ILE 65 N 0.51 4.80 0.77 3.15 2.07 -1.24 -4.93 121.20 126.33 3imj s ILE 65 Ca 0.66 2.05 -0.14 0.00 -1.41 0.00 0.00 60.65 61.80 3imj s ILE 65 Cb 0.32 -4.32 0.06 0.00 0.13 0.00 0.00 42.46 38.66 3imj s ILE 65 CO -0.04 0.04 1.22 -2.84 -1.91 0.00 0.00 174.94 171.40 3imj s PRO 66 N 1.81 1.84 0.16 3.50 0.02 -1.26 -4.67 135.00 136.40 3imj s PRO 66 Ca 0.49 1.80 -0.18 0.00 0.02 0.00 0.00 61.00 63.13 3imj s PRO 66 Cb -0.19 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.61 3imj s PRO 66 CO 0.20 -2.07 1.67 -0.09 -0.33 0.00 0.00 177.00 176.38 3imj h ARG 67 N -0.61 -0.03 0.00 5.54 2.43 -1.94 -0.60 114.38 119.17 3imj h ARG 67 Ca -0.47 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 3imj h ARG 67 Cb 1.30 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3imj h ARG 67 CO 0.48 -0.02 -0.29 0.00 -1.51 0.00 0.00 179.97 178.63 3imj h ALA 68 N 1.31 1.52 0.00 2.80 0.00 -1.99 -1.61 119.26 121.29 3imj h ALA 68 Ca 0.17 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3imj h ALA 68 Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3imj h ALA 68 CO -0.38 0.36 -0.76 -0.22 0.00 0.00 0.00 179.25 178.25 3imj h LYS 69 N 0.00 0.00 -0.21 0.00 1.63 -1.77 -1.97 116.57 114.26 3imj h LYS 69 Ca -0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 3imj h LYS 69 Cb 0.51 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3imj h LYS 69 CO 0.04 0.76 -0.60 0.00 -3.45 0.00 0.00 179.45 176.20 3imj h ALA 70 N 1.24 0.55 -0.13 5.00 0.00 -0.57 -2.15 119.26 123.20 3imj h ALA 70 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3imj h ALA 70 Cb 1.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3imj h ALA 70 CO 0.10 0.69 0.06 0.93 0.00 0.00 0.00 179.25 181.03 3imj h GLU 71 N 0.52 0.20 -0.39 0.00 5.08 -1.19 -1.06 114.58 117.73 3imj h GLU 71 Ca -0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3imj h GLU 71 Cb 1.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3imj h GLU 71 CO 0.12 0.28 0.25 1.49 -1.00 0.00 0.00 179.01 180.15 3imj h GLU 72 N 0.07 0.50 -0.07 2.33 4.81 -1.33 -0.99 114.58 119.90 3imj h GLU 72 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3imj h GLU 72 Cb 0.15 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3imj h GLU 72 CO -0.00 0.33 -0.04 1.98 -0.73 0.00 0.00 179.01 180.55 3imj h MET 73 N 0.51 0.15 0.00 1.92 4.05 -1.33 -3.28 114.93 116.95 3imj h MET 73 Ca 0.15 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.40 3imj h MET 73 Cb -0.04 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 3imj h MET 73 CO -0.04 0.53 -0.47 -0.07 0.23 0.00 0.00 176.91 177.09 3imj h LEU 74 N -0.23 0.00 -1.74 3.39 3.38 -1.15 -2.93 115.31 116.02 3imj h LEU 74 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3imj h LEU 74 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3imj h LEU 74 CO 0.01 0.47 -0.17 0.77 0.09 0.00 0.00 178.44 179.61 3imj h SER 75 N 0.00 0.00 1.22 -0.43 4.64 -1.23 -1.85 113.55 115.90 3imj h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3imj h SER 75 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3imj h SER 75 CO 0.06 0.17 -0.20 0.29 -0.87 0.00 0.00 176.83 176.28 3imj n LYS 76 N -3.77 0.23 -2.33 4.77 5.02 -1.11 -4.86 118.16 116.11 3imj n LYS 76 Ca -0.02 0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 56.06 3imj n LYS 76 Cb 0.27 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 3imj n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3imj s GLN 77 N -3.11 3.84 -0.04 1.97 -1.52 -0.70 -4.99 119.66 115.12 3imj s GLN 77 Ca 0.10 1.69 -0.24 0.00 -1.95 0.00 0.00 55.36 54.96 3imj s GLN 77 Cb 0.13 -2.41 -0.23 0.00 -0.22 0.00 0.00 33.01 30.28 3imj s GLN 77 CO 0.63 -0.47 1.05 -0.09 -0.25 0.00 0.00 175.29 176.16 3imj h ARG 78 N 2.10 0.20 -6.08 2.91 2.43 -1.89 -3.47 114.38 110.58 3imj h ARG 78 Ca -0.49 -0.20 -0.57 0.00 -0.81 0.00 0.00 59.98 57.90 3imj h ARG 78 Cb 1.24 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 3imj h ARG 78 CO 0.60 0.92 -0.05 -1.01 -1.51 0.00 0.00 179.97 178.93 3imj s HIS 79 N -3.18 3.70 0.22 2.20 3.76 -1.26 -5.06 115.29 115.66 3imj s HIS 79 Ca -0.16 1.17 -0.30 0.00 -0.15 0.00 0.00 55.06 55.62 3imj s HIS 79 Cb 0.01 -2.55 -0.09 0.00 1.11 0.00 0.00 32.58 31.06 3imj s HIS 79 CO 0.75 0.41 1.36 -0.51 -0.85 0.00 0.00 174.74 175.90 3imj s ASP 80 N -0.39 6.80 0.00 1.40 1.01 -1.26 -2.51 116.67 121.72 3imj s ASP 80 Ca 0.29 2.51 0.00 0.00 0.71 0.00 0.00 52.55 56.06 3imj s ASP 80 Cb -0.18 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.13 3imj s ASP 80 CO 0.17 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.56 3imj n GLY 81 N 2.32 0.27 3.69 0.21 0.00 0.53 -4.78 105.19 107.43 3imj n GLY 81 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3imj n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imj s ALA 82 N -2.00 3.73 0.37 4.61 0.00 -1.04 -1.21 121.76 126.21 3imj s ALA 82 Ca 0.00 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.35 3imj s ALA 82 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 3imj s ALA 82 CO 0.00 -1.16 0.23 1.97 0.00 0.00 0.00 175.76 176.80 3imj n PHE 83 N 5.62 -0.42 -3.49 0.00 1.16 -1.22 -0.70 117.46 118.41 3imj n PHE 83 Ca 0.17 -2.77 -0.16 0.00 -1.87 0.00 0.00 57.45 52.82 3imj n PHE 83 Cb 0.39 0.17 -0.05 0.00 -1.61 0.00 0.00 39.48 38.39 3imj n PHE 83 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3imj s LEU 84 N 0.00 -0.62 -0.14 5.98 0.05 -0.74 -4.49 118.68 118.73 3imj s LEU 84 Ca 0.33 0.47 -0.03 0.00 0.05 0.00 0.00 54.13 54.95 3imj s LEU 84 Cb 0.02 2.52 -0.03 0.00 -2.05 0.00 0.00 46.19 46.65 3imj s LEU 84 CO 0.23 -0.71 -0.05 -0.63 -0.55 0.00 0.00 176.35 174.64 3imj s ILE 85 N -2.03 3.80 0.16 1.48 -1.09 0.87 -1.80 121.20 122.58 3imj s ILE 85 Ca -0.07 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 3imj s ILE 85 Cb -0.00 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 3imj s ILE 85 CO 0.02 0.52 -0.08 0.00 -1.23 0.00 0.00 174.94 174.16 3imj s ARG 86 N 0.15 1.09 -0.28 2.79 1.70 -0.23 -1.87 118.95 122.29 3imj s ARG 86 Ca -0.02 -1.48 -0.16 0.00 -0.47 0.00 0.00 55.73 53.60 3imj s ARG 86 Cb -0.14 -0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 33.62 3imj s ARG 86 CO 0.03 0.04 0.43 -1.21 -1.08 0.00 0.00 175.30 173.51 3imj s GLU 87 N -3.77 3.98 0.56 3.89 2.02 0.57 -0.57 118.70 125.38 3imj s GLU 87 Ca 0.18 0.08 -0.21 0.00 0.02 0.00 0.00 54.97 55.05 3imj s GLU 87 Cb 0.03 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 3imj s GLU 87 CO 0.01 -0.34 1.34 0.45 0.02 0.00 0.00 175.26 176.74 3imj s SER 88 N 1.63 5.17 -0.15 -0.19 0.15 -0.28 -4.49 113.70 115.54 3imj s SER 88 Ca 0.17 2.72 0.17 0.00 0.70 0.00 0.00 55.95 59.70 3imj s SER 88 Cb -0.16 -2.63 -0.24 0.00 -1.71 0.00 0.00 66.02 61.29 3imj s SER 88 CO 0.10 -1.63 0.13 -0.62 1.20 0.00 0.00 173.24 172.42 3imj n GLU 89 N -1.18 0.99 0.13 5.44 1.02 -1.26 -4.18 120.64 121.59 3imj n GLU 89 Ca 0.11 -0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 3imj n GLU 89 Cb 0.46 -1.46 0.07 0.00 -0.02 0.00 0.00 31.44 30.49 3imj n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3imj h SER 90 N 0.00 0.00 -2.91 1.62 4.64 -1.98 -3.39 113.55 111.52 3imj h SER 90 Ca -0.39 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.33 3imj h SER 90 Cb 1.87 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.57 3imj h SER 90 CO 0.02 0.58 -0.81 0.00 -0.87 0.00 0.00 176.83 175.75 3imj s ALA 91 N -3.08 1.52 0.14 5.18 0.00 -1.26 -5.12 121.76 119.14 3imj s ALA 91 Ca 0.02 -2.26 -0.32 0.00 0.00 0.00 0.00 51.96 49.40 3imj s ALA 91 Cb 0.09 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 3imj s ALA 91 CO 0.75 -2.08 1.79 -2.30 0.00 0.00 0.00 175.76 173.92 3imj n PRO 92 N 3.66 2.70 0.00 0.00 -0.02 -1.26 -1.93 135.00 138.15 3imj n PRO 92 Ca 0.13 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3imj n PRO 92 Cb 0.37 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 3imj n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imj n GLY 93 N 4.09 0.17 3.81 -1.23 0.00 -1.26 -5.07 105.19 105.70 3imj n GLY 93 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3imj n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3imj s ASP 94 N -2.05 5.43 0.25 1.61 1.01 -0.81 -5.03 116.67 117.08 3imj s ASP 94 Ca 0.00 -0.30 0.08 0.00 0.71 0.00 0.00 52.55 53.05 3imj s ASP 94 Cb 0.00 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.56 3imj s ASP 94 CO 0.00 -0.06 0.07 -0.36 0.21 0.00 0.00 175.17 175.03 3imj s PHE 95 N -2.16 2.86 0.03 4.23 0.40 -1.26 -1.13 117.98 120.95 3imj s PHE 95 Ca 0.33 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 3imj s PHE 95 Cb -0.08 -1.29 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 3imj s PHE 95 CO 0.25 0.58 -0.05 -1.12 0.70 0.00 0.00 175.22 175.58 3imj s SER 96 N -3.66 0.49 -0.16 1.36 0.01 0.27 -1.86 113.70 110.15 3imj s SER 96 Ca 0.32 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 3imj s SER 96 Cb -0.07 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 3imj s SER 96 CO 0.22 -0.30 -0.13 -0.22 0.41 0.00 0.00 173.24 173.22 3imj s LEU 97 N -1.67 2.62 -0.15 2.44 0.20 0.35 -1.07 118.68 121.40 3imj s LEU 97 Ca -0.11 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.30 3imj s LEU 97 Cb -0.08 -1.61 0.00 0.00 -0.43 0.00 0.00 46.19 44.08 3imj s LEU 97 CO -0.01 0.09 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.53 3imj s SER 98 N 0.77 3.48 -0.02 3.68 0.01 -0.74 -0.23 113.70 120.65 3imj s SER 98 Ca -0.05 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.72 3imj s SER 98 Cb -0.15 -1.53 -0.00 0.00 0.21 0.00 0.00 66.02 64.55 3imj s SER 98 CO 0.01 0.08 -0.12 -0.69 0.41 0.00 0.00 173.24 172.93 3imj s VAL 99 N 0.86 0.97 0.16 3.43 1.01 0.11 -1.78 120.40 125.17 3imj s VAL 99 Ca -0.05 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 3imj s VAL 99 Cb -0.15 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 3imj s VAL 99 CO -0.02 0.29 0.84 -0.75 0.00 0.00 0.00 175.10 175.46 3imj s LYS 100 N -0.02 4.65 -0.36 2.72 2.20 0.13 -0.55 119.74 128.51 3imj s LYS 100 Ca -0.00 1.27 0.06 0.00 -0.36 0.00 0.00 55.97 56.93 3imj s LYS 100 Cb -0.08 -3.29 0.18 0.00 -1.51 0.00 0.00 37.83 33.13 3imj s LYS 100 CO 0.00 0.48 0.55 0.12 -0.36 0.00 0.00 175.35 176.14 3imj s PHE 101 N -0.87 -1.45 0.00 4.03 2.19 -0.22 -0.35 117.98 121.31 3imj s PHE 101 Ca 0.39 0.31 0.00 0.00 0.33 0.00 0.00 56.93 57.96 3imj s PHE 101 Cb -0.24 0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.62 3imj s PHE 101 CO 0.28 -1.10 0.00 0.41 1.83 0.00 0.00 175.22 176.64 3imj n GLY 102 N 4.77 1.63 0.36 13.12 0.00 -1.26 -2.82 105.19 121.00 3imj n GLY 102 Ca 0.08 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3imj n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3imj n ASN 103 N 7.18 1.19 -4.55 1.61 5.15 -1.26 -4.90 115.26 119.68 3imj n ASN 103 Ca 0.00 -1.27 -0.25 0.00 -0.60 0.00 0.00 54.58 52.46 3imj n ASN 103 Cb 0.00 0.02 -0.09 0.00 -0.53 0.00 0.00 39.78 39.18 3imj n ASN 103 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3imj s ASP 104 N -2.12 4.06 -0.26 1.20 1.01 -1.13 -5.08 116.67 114.36 3imj s ASP 104 Ca 0.36 -0.78 0.02 0.00 0.71 0.00 0.00 52.55 52.86 3imj s ASP 104 Cb 0.21 -0.58 0.07 0.00 1.01 0.00 0.00 42.92 43.62 3imj s ASP 104 CO 0.38 0.05 -0.05 -0.69 0.21 0.00 0.00 175.17 175.07 3imj s VAL 105 N -2.18 1.75 0.11 -1.27 1.01 -1.26 -1.06 120.40 117.50 3imj s VAL 105 Ca 0.28 -1.47 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 3imj s VAL 105 Cb -0.07 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 3imj s VAL 105 CO 0.16 -0.17 0.66 -1.10 0.00 0.00 0.00 175.10 174.65 3imj s GLN 106 N 1.27 4.35 -0.07 2.72 -0.21 0.29 -4.85 119.66 123.16 3imj s GLN 106 Ca -0.04 0.91 0.02 0.00 0.02 0.00 0.00 55.36 56.27 3imj s GLN 106 Cb -0.19 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 3imj s GLN 106 CO -0.07 0.61 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.59 3imj s HIS 107 N -1.13 2.82 -0.01 0.91 3.76 -1.26 -0.71 115.29 119.67 3imj s HIS 107 Ca 0.32 -0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.12 3imj s HIS 107 Cb -0.21 -1.71 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 3imj s HIS 107 CO 0.22 0.17 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.06 3imj s PHE 108 N -0.55 1.47 -0.14 1.40 0.40 0.68 -4.99 117.98 116.25 3imj s PHE 108 Ca 0.08 -0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 55.94 3imj s PHE 108 Cb -0.12 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 3imj s PHE 108 CO 0.02 -0.01 0.46 0.21 0.70 0.00 0.00 175.22 176.60 3imj s LYS 109 N -0.48 4.29 -0.44 0.44 2.47 -1.26 -0.49 119.74 124.26 3imj s LYS 109 Ca 0.06 0.39 -0.25 0.00 -1.56 0.00 0.00 55.97 54.62 3imj s LYS 109 Cb -0.07 -3.47 0.02 0.00 -1.46 0.00 0.00 37.83 32.86 3imj s LYS 109 CO -0.00 0.09 0.89 0.08 0.16 0.00 0.00 175.35 176.57 3imj s VAL 110 N 0.84 4.53 0.49 4.02 1.01 -0.78 -4.70 120.40 125.82 3imj s VAL 110 Ca 0.24 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.90 3imj s VAL 110 Cb -0.15 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 3imj s VAL 110 CO 0.09 -0.76 0.80 -0.76 0.00 0.00 0.00 175.10 174.47 3imj s LEU 111 N 3.60 3.59 -0.07 3.92 1.43 0.01 -4.36 118.68 126.80 3imj s LEU 111 Ca 0.35 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3imj s LEU 111 Cb -0.11 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.30 3imj s LEU 111 CO 0.24 -0.62 0.13 -0.60 0.23 0.00 0.00 176.35 175.73 3imj s ARG 112 N -4.77 0.04 0.92 1.70 3.52 -1.26 -1.51 118.95 117.59 3imj s ARG 112 Ca 0.48 0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 56.40 3imj s ARG 112 Cb -0.10 -0.26 0.20 0.00 -1.56 0.00 0.00 34.95 33.23 3imj s ARG 112 CO 0.45 -0.25 1.26 0.16 -0.81 0.00 0.00 175.30 176.11 3imj s ASP 113 N 1.77 3.23 0.63 -2.12 1.47 -0.61 -4.93 116.67 116.12 3imj s ASP 113 Ca -0.02 -0.01 0.41 0.00 1.18 0.00 0.00 52.55 54.10 3imj s ASP 113 Cb -0.12 -0.04 2.08 0.00 -0.34 0.00 0.00 42.92 44.50 3imj s ASP 113 CO -0.05 -2.63 2.25 1.23 0.68 0.00 0.00 175.17 176.65 3imj h GLY 114 N -1.43 0.00 -1.05 2.12 0.00 -2.02 -0.99 103.07 99.70 3imj h GLY 114 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3imj h GLY 114 CO 0.34 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.88 3imj n ALA 115 N -2.10 2.51 -0.93 3.60 0.00 -1.26 -4.94 120.51 117.39 3imj n ALA 115 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3imj n ALA 115 Cb 0.14 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3imj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imj n GLY 116 N 1.22 0.53 3.78 0.00 0.00 -0.37 -5.04 105.19 105.29 3imj n GLY 116 Ca 0.17 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3imj n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imj s LYS 117 N -0.22 4.50 0.21 1.61 1.02 -1.26 -4.79 119.74 120.80 3imj s LYS 117 Ca 0.00 1.08 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 3imj s LYS 117 Cb 0.00 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 3imj s LYS 117 CO 0.00 0.56 0.60 0.71 -0.92 0.00 0.00 175.35 176.30 3imj s TYR 118 N -1.07 3.52 0.22 3.18 1.51 0.69 -1.57 117.35 123.83 3imj s TYR 118 Ca 0.35 1.06 -0.22 0.00 -1.01 0.00 0.00 57.07 57.25 3imj s TYR 118 Cb -0.22 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.29 3imj s TYR 118 CO 0.25 0.32 0.65 -0.59 -1.11 0.00 0.00 175.55 175.06 3imj s PHE 119 N -1.66 -0.34 -0.01 2.71 -0.12 -0.57 -0.64 117.98 117.34 3imj s PHE 119 Ca 0.44 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.33 3imj s PHE 119 Cb -0.13 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 3imj s PHE 119 CO 0.20 -1.03 -0.01 1.28 -0.05 0.00 0.00 175.22 175.61 3imj n LEU 120 N -0.41 2.98 0.00 -1.99 4.77 -1.26 -0.81 117.00 120.27 3imj n LEU 120 Ca -0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3imj n LEU 120 Cb 0.62 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3imj n LEU 120 CO 0.14 0.51 0.00 0.79 -1.33 0.00 0.00 177.39 177.50 3imj n TRP 121 N -2.52 0.00 -0.02 -1.77 7.02 -1.26 -4.93 117.44 113.97 3imj n TRP 121 Ca -0.01 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.44 3imj n TRP 121 Cb 0.51 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.39 3imj n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 3imj n VAL 122 N 0.00 0.19 -2.01 -0.99 0.24 -1.26 -5.04 118.33 109.46 3imj n VAL 122 Ca 0.00 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 3imj n VAL 122 Cb 0.00 -0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 31.55 3imj n VAL 122 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3imj s VAL 123 N -2.06 2.95 0.04 3.34 1.01 -1.26 -5.01 120.40 119.40 3imj s VAL 123 Ca -0.04 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 3imj s VAL 123 Cb 0.01 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3imj s VAL 123 CO 0.07 0.04 0.30 -0.54 0.00 0.00 0.00 175.10 174.97 3imj s LYS 124 N 1.49 3.60 0.02 2.72 -0.14 -1.26 -4.46 119.74 121.70 3imj s LYS 124 Ca 0.69 -0.06 0.04 0.00 -1.36 0.00 0.00 55.97 55.27 3imj s LYS 124 Cb -0.40 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 32.70 3imj s LYS 124 CO 0.31 0.61 -0.11 -0.06 -0.76 0.00 0.00 175.35 175.33 3imj s PHE 125 N -1.38 1.00 -0.65 3.18 0.40 0.18 -4.97 117.98 115.74 3imj s PHE 125 Ca 0.31 -0.28 0.25 0.00 -0.60 0.00 0.00 56.93 56.60 3imj s PHE 125 Cb -0.13 -0.62 0.90 0.00 0.51 0.00 0.00 43.02 43.69 3imj s PHE 125 CO 0.18 -0.00 1.74 0.09 0.70 0.00 0.00 175.22 177.93 3imj n ASN 126 N 2.29 0.66 -3.81 1.36 3.02 -1.26 -0.22 115.26 117.30 3imj n ASN 126 Ca -0.16 0.61 -0.10 0.00 -0.03 0.00 0.00 54.58 54.90 3imj n ASN 126 Cb 0.56 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 3imj n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3imj s SER 127 N -4.23 -0.17 0.25 6.41 1.04 -1.26 -4.82 113.70 110.92 3imj s SER 127 Ca 0.08 -0.60 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 3imj s SER 127 Cb 0.11 0.54 0.30 0.00 0.10 0.00 0.00 66.02 67.07 3imj s SER 127 CO 0.48 -1.01 1.66 -0.07 0.98 0.00 0.00 173.24 175.28 3imj h LEU 128 N 2.29 0.57 -0.77 2.42 3.38 -1.97 -2.57 115.31 118.67 3imj h LEU 128 Ca -0.29 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3imj h LEU 128 Cb 1.25 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3imj h LEU 128 CO 0.40 0.85 0.47 -1.13 0.09 0.00 0.00 178.44 179.11 3imj h ASN 129 N 0.48 0.91 0.45 -0.43 -0.00 -1.99 -0.45 115.58 114.56 3imj h ASN 129 Ca 0.06 -0.06 -0.17 0.00 -0.00 0.00 0.00 56.30 56.13 3imj h ASN 129 Cb 0.76 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.84 3imj h ASN 129 CO 0.06 0.70 -0.72 -0.33 -0.00 0.00 0.00 177.43 177.14 3imj h GLU 130 N 1.05 0.23 -0.12 6.67 5.08 -1.95 -1.51 114.58 124.02 3imj h GLU 130 Ca 0.28 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3imj h GLU 130 Cb -0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3imj h GLU 130 CO -0.05 0.85 -0.01 1.25 -1.00 0.00 0.00 179.01 180.05 3imj h LEU 131 N 0.15 0.22 0.16 1.33 6.46 -1.03 -1.87 115.31 120.74 3imj h LEU 131 Ca -0.02 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 3imj h LEU 131 Cb 1.28 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 3imj h LEU 131 CO 0.11 0.49 -0.08 0.58 -0.62 0.00 0.00 178.44 178.93 3imj h VAL 132 N -0.05 0.88 -1.00 1.05 2.07 -1.08 -2.52 116.25 115.59 3imj h VAL 132 Ca 0.03 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3imj h VAL 132 Cb 0.38 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3imj h VAL 132 CO 0.01 0.04 0.66 0.44 0.02 0.00 0.00 177.57 178.74 3imj h ASP 133 N -0.29 1.15 -0.39 0.57 3.32 -1.28 -2.29 116.42 117.20 3imj h ASP 133 Ca -0.02 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3imj h ASP 133 Cb 0.23 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3imj h ASP 133 CO 0.04 0.82 0.14 0.22 -1.72 0.00 0.00 179.24 178.75 3imj h TYR 134 N 1.35 0.61 0.00 4.55 3.20 -1.33 -2.72 116.97 122.63 3imj h TYR 134 Ca 0.37 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3imj h TYR 134 Cb -0.14 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3imj h TYR 134 CO -0.00 0.55 0.00 0.72 -1.64 0.00 0.00 178.16 177.79 3imj n HIS 135 N -4.64 0.00 0.31 -3.82 8.25 -0.88 -2.24 115.22 112.21 3imj n HIS 135 Ca -0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3imj n HIS 135 Cb 0.16 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.42 3imj n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imj h ARG 136 N 0.00 0.00 0.00 -0.41 3.08 -1.30 -1.93 114.38 113.82 3imj h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3imj h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3imj h ARG 136 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 3imj n SER 137 N -2.65 0.42 -3.98 7.04 7.64 -0.95 -4.39 113.62 116.76 3imj n SER 137 Ca 0.03 -0.91 -0.22 0.00 1.01 0.00 0.00 58.87 58.77 3imj n SER 137 Cb 0.50 0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.59 3imj n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3imj s THR 138 N -0.05 0.89 0.25 0.44 2.01 -1.03 -5.11 115.64 113.04 3imj s THR 138 Ca 0.00 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.35 3imj s THR 138 Cb 0.00 -0.83 -0.13 0.00 0.01 0.00 0.00 72.50 71.54 3imj s THR 138 CO 0.00 0.30 1.40 -0.24 -0.69 0.00 0.00 174.62 175.39 3imj n SER 139 N 3.81 2.77 0.17 3.53 2.88 -1.26 -4.27 113.62 121.24 3imj n SER 139 Ca -0.23 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.59 3imj n SER 139 Cb 0.52 -1.44 0.43 0.00 -0.75 0.00 0.00 64.21 62.97 3imj n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3imj h VAL 140 N 3.01 0.00 -3.54 2.46 -1.51 -1.56 -3.45 116.25 111.65 3imj h VAL 140 Ca -0.45 -0.53 -0.66 0.00 -1.23 0.00 0.00 66.70 63.83 3imj h VAL 140 Cb 1.28 1.46 -0.17 0.00 -2.13 0.00 0.00 31.29 31.72 3imj h VAL 140 CO 0.75 0.00 -0.77 -0.55 -1.23 0.00 0.00 177.57 175.76 3imj s SER 141 N -5.00 4.06 -0.09 4.19 0.15 -1.26 -5.02 113.70 110.73 3imj s SER 141 Ca 0.07 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 3imj s SER 141 Cb 0.09 -0.64 -0.26 0.00 -1.71 0.00 0.00 66.02 63.51 3imj s SER 141 CO 0.55 0.16 0.49 0.03 1.20 0.00 0.00 173.24 175.67 3imj h ARG 142 N 3.54 0.20 0.00 5.44 3.08 -2.00 -3.38 114.38 121.26 3imj h ARG 142 Ca -0.49 -0.34 -0.18 0.00 0.07 0.00 0.00 59.98 59.04 3imj h ARG 142 Cb 1.18 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3imj h ARG 142 CO 0.49 1.02 -0.85 -0.91 -1.07 0.00 0.00 179.97 178.65 3imj h ASN 143 N 0.05 0.00 -4.01 7.04 2.35 -2.00 -3.46 115.58 115.55 3imj h ASN 143 Ca -0.37 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.05 3imj h ASN 143 Cb 2.03 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 40.25 3imj h ASN 143 CO 0.09 0.85 -0.72 -1.10 -1.65 0.00 0.00 177.43 174.91 3imj s GLN 144 N -2.96 1.04 -0.78 0.81 -0.21 -1.26 -5.10 119.66 111.19 3imj s GLN 144 Ca 0.01 -1.41 -0.16 0.00 0.02 0.00 0.00 55.36 53.82 3imj s GLN 144 Cb 0.10 -0.63 0.17 0.00 1.00 0.00 0.00 33.01 33.65 3imj s GLN 144 CO 0.80 0.08 0.81 -0.65 -2.12 0.00 0.00 175.29 174.21 3imj s GLN 145 N -3.59 3.45 -0.24 2.91 -1.52 -1.26 -4.19 119.66 115.22 3imj s GLN 145 Ca 0.15 -2.04 -0.02 0.00 -1.95 0.00 0.00 55.36 51.50 3imj s GLN 145 Cb 0.02 -4.50 0.02 0.00 -0.22 0.00 0.00 33.01 28.33 3imj s GLN 145 CO 0.01 -1.44 -0.07 0.42 -0.25 0.00 0.00 175.29 173.95 3imj s ILE 146 N 1.29 2.90 -0.14 1.08 1.01 -1.26 -5.04 121.20 121.03 3imj s ILE 146 Ca 0.19 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3imj s ILE 146 Cb -0.13 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3imj s ILE 146 CO -0.05 0.27 -0.02 -0.36 0.00 0.00 0.00 174.94 174.78 3imj s PHE 147 N 1.35 3.07 0.08 3.97 0.40 -1.26 -1.61 117.98 123.98 3imj s PHE 147 Ca 0.02 -0.15 -0.31 0.00 -0.60 0.00 0.00 56.93 55.89 3imj s PHE 147 Cb -0.16 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.37 3imj s PHE 147 CO -0.05 0.08 1.21 -0.51 0.70 0.00 0.00 175.22 176.66 3imj s LEU 148 N 0.12 4.38 -0.00 -0.37 1.43 -0.72 -4.22 118.68 119.29 3imj s LEU 148 Ca 0.00 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 3imj s LEU 148 Cb -0.13 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3imj s LEU 148 CO 0.02 -0.47 0.00 0.00 0.23 0.00 0.00 176.35 176.14 3imj s ARG 149 N 0.92 -0.00 0.40 1.70 1.70 -0.35 -4.38 118.95 118.94 3imj s ARG 149 Ca 0.58 0.03 -0.24 0.00 -0.47 0.00 0.00 55.73 55.64 3imj s ARG 149 Cb -0.30 -0.04 -0.12 0.00 -0.57 0.00 0.00 34.95 33.91 3imj s ARG 149 CO 0.30 -0.02 0.73 -0.25 -1.08 0.00 0.00 175.30 174.98 3imj n ASP 150 N 3.24 -0.03 -4.76 -2.89 8.00 -1.26 -3.41 116.55 115.44 3imj n ASP 150 Ca -0.14 0.98 -0.37 0.00 0.71 0.00 0.00 54.79 55.97 3imj n ASP 150 Cb 0.58 -1.20 0.02 0.00 -0.02 0.00 0.00 41.12 40.51 3imj n ASP 150 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3imj s ILE 151 N -1.35 2.64 -0.63 0.53 -4.36 -1.26 -4.82 121.20 111.94 3imj s ILE 151 Ca 0.63 0.44 -0.26 0.00 -0.26 0.00 0.00 60.65 61.20 3imj s ILE 151 Cb -0.61 -3.20 0.04 0.00 1.25 0.00 0.00 42.46 39.94 3imj s ILE 151 CO 0.57 -0.05 1.11 -1.61 0.24 0.00 0.00 174.94 175.21 3imj s GLU 152 N -3.06 3.31 0.13 0.37 0.41 -1.26 -5.01 118.70 113.58 3imj s GLU 152 Ca 0.72 -0.21 0.05 0.00 -0.41 0.00 0.00 54.97 55.12 3imj s GLU 152 Cb -0.32 -4.11 -0.04 0.00 -1.78 0.00 0.00 34.13 27.88 3imj s GLU 152 CO 0.37 -1.78 0.08 1.14 -0.49 0.00 0.00 175.26 174.58 3imj s GLN 153 N 4.74 2.77 -0.13 1.61 0.00 -1.26 -5.05 119.66 122.34 3imj s GLN 153 Ca 0.34 -0.84 -0.04 0.00 -0.00 0.00 0.00 55.36 54.82 3imj s GLN 153 Cb -0.11 -2.62 -0.03 0.00 0.00 0.00 0.00 33.01 30.25 3imj s GLN 153 CO 0.18 0.52 0.01 0.08 0.00 0.00 0.00 175.29 176.08 3imj s VAL 154 N -1.56 4.33 -2.00 3.63 1.01 -1.26 -5.29 120.40 119.26 3imj s VAL 154 Ca 0.29 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3imj s VAL 154 Cb -0.11 -2.88 0.19 0.00 0.00 0.00 0.00 36.38 33.58 3imj s VAL 154 CO 0.22 0.54 0.86 -0.81 0.00 0.00 0.00 175.10 175.90