#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h46 s LYS 56 N 0.00 1.01 0.65 0.03 -0.14 -1.26 -5.14 119.74 114.89 2h46 s LYS 56 Ca 0.00 -1.14 -0.16 0.00 -1.36 0.00 0.00 55.97 53.31 2h46 s LYS 56 Cb 0.00 -1.08 -0.01 0.00 -1.68 0.00 0.00 37.83 35.06 2h46 s LYS 56 CO 0.00 0.24 1.14 -1.25 -0.76 0.00 0.00 175.35 174.71 2h46 s PRO 57 N -2.12 2.80 0.11 -1.68 0.04 -1.26 -4.95 135.00 127.94 2h46 s PRO 57 Ca 0.05 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2h46 s PRO 57 Cb -0.08 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2h46 s PRO 57 CO 0.04 -1.28 1.28 -1.01 0.04 0.00 0.00 177.00 176.06 2h46 s HIS 58 N -2.11 3.35 -1.46 0.56 3.76 -1.26 -4.90 115.29 113.22 2h46 s HIS 58 Ca 0.70 1.19 0.20 0.00 -0.15 0.00 0.00 55.06 57.01 2h46 s HIS 58 Cb -0.23 -3.53 1.03 0.00 1.11 0.00 0.00 32.58 30.95 2h46 s HIS 58 CO 0.39 -1.71 1.63 -0.35 -0.85 0.00 0.00 174.74 173.85 2h46 n PRO 59 N 3.56 0.31 -0.00 8.40 -0.04 -1.26 -3.46 135.00 142.51 2h46 n PRO 59 Ca 0.09 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2h46 n PRO 59 Cb 0.44 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 2h46 n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2h46 n TRP 60 N -1.27 0.01 -3.35 0.54 4.27 -1.26 -4.89 117.44 111.49 2h46 n TRP 60 Ca 0.10 -0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.27 2h46 n TRP 60 Cb 0.15 -0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.02 2h46 n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2h46 s PHE 61 N -1.96 3.19 -2.00 -2.67 5.36 -1.22 0.11 117.98 118.78 2h46 s PHE 61 Ca 0.28 -0.56 0.19 0.00 -0.96 0.00 0.00 56.93 55.88 2h46 s PHE 61 Cb 0.20 -2.95 0.34 0.00 -0.34 0.00 0.00 43.02 40.28 2h46 s PHE 61 CO 0.30 -0.73 1.28 1.19 -1.46 0.00 0.00 175.22 175.79 2h46 n PHE 62 N 5.48 0.41 -4.77 10.12 3.01 -0.61 -4.99 117.46 126.11 2h46 n PHE 62 Ca -0.09 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.11 2h46 n PHE 62 Cb 0.46 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2h46 n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h46 n GLY 63 N 1.17 0.97 3.49 1.37 0.00 -1.26 -4.39 105.19 106.55 2h46 n GLY 63 Ca 0.16 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2h46 n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h46 s LYS 64 N 0.00 3.21 0.06 1.61 2.20 -1.26 -0.73 119.74 124.83 2h46 s LYS 64 Ca 0.00 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 2h46 s LYS 64 Cb 0.00 -4.35 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 2h46 s LYS 64 CO 0.00 -1.94 -0.12 0.96 -0.36 0.00 0.00 175.35 173.89 2h46 s ILE 65 N 4.50 0.95 0.38 5.43 -4.36 -1.26 -4.97 121.20 121.88 2h46 s ILE 65 Ca 0.28 -1.21 -0.27 0.00 -0.26 0.00 0.00 60.65 59.19 2h46 s ILE 65 Cb -0.12 -0.94 -0.10 0.00 1.25 0.00 0.00 42.46 42.55 2h46 s ILE 65 CO 0.08 -0.25 1.41 -2.84 0.24 0.00 0.00 174.94 173.58 2h46 s PRO 66 N -1.64 4.06 0.25 0.37 0.02 -1.26 -4.81 135.00 131.99 2h46 s PRO 66 Ca -0.04 2.40 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 2h46 s PRO 66 Cb -0.10 -2.90 0.42 0.00 0.02 0.00 0.00 34.50 31.94 2h46 s PRO 66 CO 0.02 -0.50 1.82 -0.09 -0.33 0.00 0.00 177.00 177.91 2h46 h ARG 67 N 2.91 0.82 -0.85 5.54 2.43 -1.99 -0.24 114.38 123.00 2h46 h ARG 67 Ca -0.50 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.70 2h46 h ARG 67 Cb 1.24 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 2h46 h ARG 67 CO 0.64 0.54 0.55 0.00 -1.51 0.00 0.00 179.97 180.19 2h46 h ALA 68 N 1.47 1.62 -0.15 2.80 0.00 -1.99 0.86 119.26 123.88 2h46 h ALA 68 Ca 0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 2h46 h ALA 68 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2h46 h ALA 68 CO -0.25 0.22 -0.44 -0.22 0.00 0.00 0.00 179.25 178.57 2h46 h LYS 69 N 0.89 0.35 -0.39 0.00 1.63 -1.44 -1.12 116.57 116.49 2h46 h LYS 69 Ca 0.38 -0.18 -0.15 0.00 -0.85 0.00 0.00 60.65 59.85 2h46 h LYS 69 Cb 0.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2h46 h LYS 69 CO -0.15 0.72 -0.34 0.00 -3.45 0.00 0.00 179.45 176.23 2h46 h ALA 70 N 1.26 0.56 -0.37 5.00 0.00 -0.11 -2.65 119.26 122.95 2h46 h ALA 70 Ca 0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2h46 h ALA 70 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2h46 h ALA 70 CO 0.07 0.64 -0.23 0.93 0.00 0.00 0.00 179.25 180.66 2h46 h GLU 71 N 0.73 0.74 -0.43 0.00 5.08 -0.72 -1.40 114.58 118.58 2h46 h GLU 71 Ca 0.07 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2h46 h GLU 71 Cb 0.93 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2h46 h GLU 71 CO 0.09 0.90 0.26 1.49 -1.00 0.00 0.00 179.01 180.75 2h46 h GLU 72 N 0.64 0.58 -0.07 2.33 4.81 -1.10 -0.01 114.58 121.77 2h46 h GLU 72 Ca 0.09 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2h46 h GLU 72 Cb 0.73 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2h46 h GLU 72 CO 0.06 0.43 -0.26 1.98 -0.73 0.00 0.00 179.01 180.48 2h46 h MET 73 N 0.57 0.30 0.00 1.92 4.05 -1.37 -3.27 114.93 117.13 2h46 h MET 73 Ca 0.15 -0.23 -0.07 0.00 -0.28 0.00 0.00 59.70 59.27 2h46 h MET 73 Cb -0.01 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2h46 h MET 73 CO -0.03 0.87 -0.33 -0.07 0.23 0.00 0.00 176.91 177.58 2h46 h LEU 74 N -0.20 0.00 -2.01 3.39 3.38 -1.24 -2.41 115.31 116.22 2h46 h LEU 74 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2h46 h LEU 74 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2h46 h LEU 74 CO 0.06 0.33 -0.10 0.77 0.09 0.00 0.00 178.44 179.58 2h46 h SER 75 N 0.00 0.00 1.41 -0.43 4.64 -1.04 -1.70 113.55 116.43 2h46 h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h46 h SER 75 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2h46 h SER 75 CO 0.04 0.10 -0.20 0.11 -0.87 0.00 0.00 176.83 176.01 2h46 h LYS 76 N 0.00 0.00 -7.12 4.77 1.57 -1.50 -3.47 116.57 110.82 2h46 h LYS 76 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2h46 h LYS 76 Cb 0.24 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.66 2h46 h LYS 76 CO 0.01 0.00 0.44 -0.65 -0.57 0.00 0.00 179.45 178.68 2h46 s GLN 77 N -3.15 2.91 -0.02 3.15 -1.52 -0.64 -4.98 119.66 115.41 2h46 s GLN 77 Ca 0.08 1.71 0.15 0.00 -1.95 0.00 0.00 55.36 55.35 2h46 s GLN 77 Cb 0.11 -1.93 -0.20 0.00 -0.22 0.00 0.00 33.01 30.76 2h46 s GLN 77 CO 0.65 -1.22 0.65 2.89 -0.25 0.00 0.00 175.29 178.01 2h46 n ARG 78 N -1.80 0.63 -3.72 2.91 1.85 -1.26 -4.93 116.66 110.35 2h46 n ARG 78 Ca 0.13 0.23 -0.37 0.00 -1.00 0.00 0.00 57.85 56.84 2h46 n ARG 78 Cb 0.50 -1.76 -0.07 0.00 -1.05 0.00 0.00 32.46 30.08 2h46 n ARG 78 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2h46 s HIS 79 N -2.72 3.55 0.33 2.89 3.76 -1.26 -5.06 115.29 116.78 2h46 s HIS 79 Ca -0.05 0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 55.15 2h46 s HIS 79 Cb 0.08 -2.13 -0.11 0.00 1.11 0.00 0.00 32.58 31.54 2h46 s HIS 79 CO 0.82 0.53 1.41 -0.51 -0.85 0.00 0.00 174.74 176.13 2h46 s ASP 80 N -0.44 6.59 0.00 1.40 1.01 -1.26 -2.35 116.67 121.62 2h46 s ASP 80 Ca 0.15 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.22 2h46 s ASP 80 Cb -0.13 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2h46 s ASP 80 CO 0.04 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.34 2h46 n GLY 81 N 1.06 2.73 3.65 0.21 0.00 0.63 -5.00 105.19 108.48 2h46 n GLY 81 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 2h46 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h46 n ALA 82 N -1.65 0.77 -2.80 4.61 0.00 -0.99 -4.67 120.51 115.77 2h46 n ALA 82 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 2h46 n ALA 82 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 2h46 n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2h46 s PHE 83 N 0.52 1.03 0.12 0.00 -0.71 -1.26 -1.15 117.98 116.53 2h46 s PHE 83 Ca 0.77 -1.25 -0.21 0.00 -1.04 0.00 0.00 56.93 55.20 2h46 s PHE 83 Cb -0.73 -0.15 0.05 0.00 -1.21 0.00 0.00 43.02 40.98 2h46 s PHE 83 CO 0.43 -1.03 0.52 -0.48 -1.34 0.00 0.00 175.22 173.31 2h46 s LEU 84 N -3.21 -0.14 -0.11 -1.99 0.05 -0.78 -4.80 118.68 107.70 2h46 s LEU 84 Ca 0.31 -0.06 0.01 0.00 0.05 0.00 0.00 54.13 54.44 2h46 s LEU 84 Cb 0.01 2.24 -0.02 0.00 -2.05 0.00 0.00 46.19 46.37 2h46 s LEU 84 CO 0.18 -0.87 -0.13 -0.63 -0.55 0.00 0.00 176.35 174.36 2h46 s ILE 85 N -3.45 3.13 0.17 1.48 -1.09 0.12 -1.54 121.20 120.03 2h46 s ILE 85 Ca 0.00 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2h46 s ILE 85 Cb 0.00 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.54 2h46 s ILE 85 CO -0.10 0.54 -0.04 0.00 -1.23 0.00 0.00 174.94 174.12 2h46 s ARG 86 N 0.01 1.12 -0.23 2.79 1.70 -0.55 -1.57 118.95 122.23 2h46 s ARG 86 Ca -0.04 -1.53 -0.14 0.00 -0.47 0.00 0.00 55.73 53.56 2h46 s ARG 86 Cb -0.14 -0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 33.74 2h46 s ARG 86 CO 0.04 -0.05 0.30 -1.21 -1.08 0.00 0.00 175.30 173.31 2h46 s GLU 87 N -3.84 4.11 0.24 3.89 2.02 0.09 -1.13 118.70 124.08 2h46 s GLU 87 Ca 0.22 -0.00 -0.31 0.00 0.02 0.00 0.00 54.97 54.89 2h46 s GLU 87 Cb 0.05 -3.56 -0.12 0.00 0.10 0.00 0.00 34.13 30.60 2h46 s GLU 87 CO 0.03 -0.04 1.65 0.45 0.02 0.00 0.00 175.26 177.37 2h46 n SER 88 N 4.55 3.87 0.04 -0.19 2.88 0.03 -4.31 113.62 120.49 2h46 n SER 88 Ca -0.11 1.10 -0.07 0.00 -1.33 0.00 0.00 58.87 58.46 2h46 n SER 88 Cb 0.51 -1.57 -0.12 0.00 -0.75 0.00 0.00 64.21 62.28 2h46 n SER 88 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2h46 h GLU 89 N 5.79 0.00 0.17 -1.46 5.08 -1.89 -3.36 114.58 118.90 2h46 h GLU 89 Ca -0.45 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.64 2h46 h GLU 89 Cb 1.22 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.50 2h46 h GLU 89 CO 0.88 0.84 -1.17 0.66 -1.00 0.00 0.00 179.01 179.21 2h46 h SER 90 N 0.00 0.74 -3.44 1.42 4.64 -1.98 -3.41 113.55 111.51 2h46 h SER 90 Ca -0.09 -0.89 -0.72 0.00 -0.47 0.00 0.00 61.79 59.62 2h46 h SER 90 Cb 1.83 -0.24 -0.30 0.00 -0.31 0.00 0.00 62.40 63.38 2h46 h SER 90 CO 0.11 1.56 -0.36 0.00 -0.87 0.00 0.00 176.83 177.27 2h46 s ALA 91 N -2.72 3.45 -0.01 5.18 0.00 -1.26 -5.06 121.76 121.34 2h46 s ALA 91 Ca -0.11 -2.68 -0.37 0.00 0.00 0.00 0.00 51.96 48.81 2h46 s ALA 91 Cb 0.04 -2.83 -0.16 0.00 0.00 0.00 0.00 23.12 20.17 2h46 s ALA 91 CO 0.90 -1.95 1.52 -2.30 0.00 0.00 0.00 175.76 173.94 2h46 n PRO 92 N 4.66 1.38 -0.86 0.00 -0.02 -1.26 -1.58 135.00 137.32 2h46 n PRO 92 Ca -0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2h46 n PRO 92 Cb 0.41 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2h46 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h46 n GLY 93 N 3.22 0.90 3.91 -1.23 0.00 -1.26 -5.04 105.19 105.70 2h46 n GLY 93 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2h46 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h46 s ASP 94 N -2.93 6.02 0.22 1.61 1.01 -0.62 -5.02 116.67 116.96 2h46 s ASP 94 Ca 0.00 -0.04 0.11 0.00 0.71 0.00 0.00 52.55 53.33 2h46 s ASP 94 Cb 0.00 -1.69 -0.05 0.00 1.01 0.00 0.00 42.92 42.19 2h46 s ASP 94 CO 0.00 -0.04 -0.21 -0.36 0.21 0.00 0.00 175.17 174.77 2h46 s PHE 95 N -2.00 2.35 0.02 4.23 0.40 -1.26 -0.79 117.98 120.93 2h46 s PHE 95 Ca 0.33 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2h46 s PHE 95 Cb -0.09 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 2h46 s PHE 95 CO 0.27 0.56 -0.07 -1.12 0.70 0.00 0.00 175.22 175.57 2h46 s SER 96 N -2.95 0.73 -0.20 1.36 0.01 -0.29 -0.94 113.70 111.43 2h46 s SER 96 Ca 0.24 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.07 2h46 s SER 96 Cb -0.07 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 2h46 s SER 96 CO 0.12 -0.10 0.05 -0.22 0.41 0.00 0.00 173.24 173.51 2h46 s LEU 97 N -0.98 3.63 -0.14 2.44 2.96 0.82 -1.48 118.68 125.92 2h46 s LEU 97 Ca -0.05 -0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2h46 s LEU 97 Cb -0.07 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2h46 s LEU 97 CO 0.00 0.11 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.61 2h46 s SER 98 N 0.73 4.33 -0.02 3.68 0.01 -0.59 -0.10 113.70 121.74 2h46 s SER 98 Ca 0.03 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.05 2h46 s SER 98 Cb -0.13 -1.68 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2h46 s SER 98 CO 0.02 0.16 -0.05 -0.69 0.41 0.00 0.00 173.24 173.09 2h46 s VAL 99 N 0.41 0.42 0.18 3.43 1.01 0.76 -1.87 120.40 124.74 2h46 s VAL 99 Ca -0.08 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2h46 s VAL 99 Cb -0.15 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 2h46 s VAL 99 CO 0.04 0.15 0.95 -0.75 0.00 0.00 0.00 175.10 175.49 2h46 s LYS 100 N 0.22 4.78 -0.29 2.72 2.20 -0.30 -0.08 119.74 129.00 2h46 s LYS 100 Ca -0.02 1.48 0.01 0.00 -0.36 0.00 0.00 55.97 57.08 2h46 s LYS 100 Cb -0.06 -3.32 0.18 0.00 -1.51 0.00 0.00 37.83 33.12 2h46 s LYS 100 CO -0.00 0.38 0.53 0.12 -0.36 0.00 0.00 175.35 176.01 2h46 s PHE 101 N -0.66 -1.44 0.00 4.03 5.36 -0.31 -0.27 117.98 124.68 2h46 s PHE 101 Ca 0.44 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 2h46 s PHE 101 Cb -0.25 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.74 2h46 s PHE 101 CO 0.31 -0.91 0.00 0.41 -1.46 0.00 0.00 175.22 173.57 2h46 n GLY 102 N 5.40 1.62 1.23 13.12 0.00 -1.26 -2.39 105.19 122.91 2h46 n GLY 102 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2h46 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h46 n ASN 103 N 4.28 3.57 -4.55 1.61 3.02 -1.26 -4.92 115.26 117.02 2h46 n ASN 103 Ca 0.00 -2.31 -0.25 0.00 -0.03 0.00 0.00 54.58 51.99 2h46 n ASN 103 Cb 0.00 -0.49 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 2h46 n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2h46 s ASP 104 N -0.79 3.30 -0.23 6.41 -0.00 -1.01 -5.12 116.67 119.24 2h46 s ASP 104 Ca 0.37 -1.35 -0.01 0.00 -0.00 0.00 0.00 52.55 51.56 2h46 s ASP 104 Cb 0.24 -0.28 0.07 0.00 -0.00 0.00 0.00 42.92 42.95 2h46 s ASP 104 CO 0.18 -0.48 0.02 -0.69 -0.00 0.00 0.00 175.17 174.20 2h46 s VAL 105 N -2.92 0.93 0.34 -1.27 1.01 -1.26 -1.17 120.40 116.07 2h46 s VAL 105 Ca 0.35 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2h46 s VAL 105 Cb 0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2h46 s VAL 105 CO 0.17 -0.28 0.61 -1.10 0.00 0.00 0.00 175.10 174.50 2h46 s GLN 106 N 1.65 3.60 -0.04 2.72 -0.21 0.88 -4.84 119.66 123.43 2h46 s GLN 106 Ca -0.00 -0.00 0.05 0.00 0.02 0.00 0.00 55.36 55.42 2h46 s GLN 106 Cb -0.18 -2.59 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 2h46 s GLN 106 CO -0.11 0.11 -0.18 -1.01 -2.12 0.00 0.00 175.29 171.99 2h46 s HIS 107 N -2.26 1.71 -0.09 0.91 3.76 -1.26 -0.17 115.29 117.88 2h46 s HIS 107 Ca 0.44 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2h46 s HIS 107 Cb -0.10 -1.14 0.02 0.00 1.11 0.00 0.00 32.58 32.47 2h46 s HIS 107 CO 0.34 -0.13 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.97 2h46 s PHE 108 N -0.09 1.26 0.33 1.40 0.40 0.85 -4.96 117.98 117.17 2h46 s PHE 108 Ca -0.01 -0.57 -0.29 0.00 -0.60 0.00 0.00 56.93 55.47 2h46 s PHE 108 Cb -0.10 -1.09 -0.10 0.00 0.51 0.00 0.00 43.02 42.24 2h46 s PHE 108 CO 0.01 -0.43 1.28 0.15 0.70 0.00 0.00 175.22 176.93 2h46 s LYS 109 N 1.59 4.39 -0.34 0.44 1.02 -1.26 -0.13 119.74 125.45 2h46 s LYS 109 Ca 0.02 2.16 -0.20 0.00 0.02 0.00 0.00 55.97 57.97 2h46 s LYS 109 Cb -0.13 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2h46 s LYS 109 CO -0.06 -0.13 0.59 0.08 -0.92 0.00 0.00 175.35 174.91 2h46 s VAL 110 N -1.14 4.94 0.42 3.17 1.01 -0.12 -4.69 120.40 123.99 2h46 s VAL 110 Ca 0.48 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 2h46 s VAL 110 Cb -0.39 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2h46 s VAL 110 CO 0.51 -0.25 0.70 -0.76 0.00 0.00 0.00 175.10 175.30 2h46 s LEU 111 N 2.59 3.80 0.07 3.92 1.43 0.13 -4.48 118.68 126.13 2h46 s LEU 111 Ca 0.23 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2h46 s LEU 111 Cb -0.15 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 2h46 s LEU 111 CO 0.14 -0.44 -0.14 -0.13 0.23 0.00 0.00 176.35 176.00 2h46 s ARG 112 N -4.41 0.82 0.53 1.70 0.52 -1.26 -1.58 118.95 115.27 2h46 s ARG 112 Ca 0.45 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 2h46 s ARG 112 Cb -0.10 -0.82 0.03 0.00 0.52 0.00 0.00 34.95 34.58 2h46 s ARG 112 CO 0.40 0.18 0.40 0.16 0.02 0.00 0.00 175.30 176.45 2h46 s ASP 113 N -1.72 4.65 0.31 0.23 3.84 -0.72 -4.96 116.67 118.31 2h46 s ASP 113 Ca -0.02 -1.20 0.08 0.00 -0.00 0.00 0.00 52.55 51.41 2h46 s ASP 113 Cb -0.10 0.31 0.84 0.00 -1.38 0.00 0.00 42.92 42.59 2h46 s ASP 113 CO 0.02 -1.05 1.72 1.23 -0.00 0.00 0.00 175.17 177.09 2h46 h GLY 114 N 0.79 1.83 1.43 2.12 0.00 -2.02 0.40 103.07 107.62 2h46 h GLY 114 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2h46 h GLY 114 CO 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.88 2h46 n ALA 115 N -2.35 2.24 -0.47 3.60 0.00 -1.26 -4.88 120.51 117.40 2h46 n ALA 115 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2h46 n ALA 115 Cb 0.72 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2h46 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h46 n GLY 116 N 0.65 0.80 3.78 0.00 0.00 0.14 -5.05 105.19 105.51 2h46 n GLY 116 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2h46 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h46 s LYS 117 N -0.50 3.15 0.17 1.61 1.02 -1.26 -4.70 119.74 119.23 2h46 s LYS 117 Ca 0.00 1.38 0.03 0.00 0.02 0.00 0.00 55.97 57.40 2h46 s LYS 117 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2h46 s LYS 117 CO 0.00 -0.97 0.27 0.71 -0.92 0.00 0.00 175.35 174.44 2h46 s TYR 118 N -2.22 3.42 -0.12 3.18 2.02 -1.26 -1.75 117.35 120.62 2h46 s TYR 118 Ca 0.67 0.07 -0.31 0.00 -0.37 0.00 0.00 57.07 57.13 2h46 s TYR 118 Cb -0.20 -1.62 0.13 0.00 -0.40 0.00 0.00 41.96 39.87 2h46 s TYR 118 CO 0.35 0.51 1.05 -0.59 -1.57 0.00 0.00 175.55 175.30 2h46 s PHE 119 N -1.78 -0.26 -0.27 2.71 -0.71 -0.61 -4.98 117.98 112.07 2h46 s PHE 119 Ca 0.34 0.26 -0.14 0.00 -1.04 0.00 0.00 56.93 56.35 2h46 s PHE 119 Cb -0.11 0.51 -0.14 0.00 -1.21 0.00 0.00 43.02 42.08 2h46 s PHE 119 CO 0.28 -0.35 -0.26 1.28 -1.34 0.00 0.00 175.22 174.82 2h46 n LEU 120 N 0.08 2.03 -3.62 -1.99 4.77 -1.26 -0.69 117.00 116.32 2h46 n LEU 120 Ca -0.05 0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 2h46 n LEU 120 Cb 0.59 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2h46 n LEU 120 CO 0.11 0.57 0.29 -1.66 -1.33 0.00 0.00 177.39 175.37 2h46 s TRP 121 N -2.49 -0.54 0.19 -1.77 1.48 -1.26 -4.78 118.94 109.77 2h46 s TRP 121 Ca -0.37 1.06 0.02 0.00 -1.06 0.00 0.00 56.10 55.74 2h46 s TRP 121 Cb 0.13 0.28 -0.05 0.00 -1.16 0.00 0.00 33.47 32.67 2h46 s TRP 121 CO 0.52 -0.47 0.02 0.14 -4.06 0.00 0.00 176.95 173.10 2h46 s VAL 122 N -0.78 0.64 -0.24 -0.66 -7.23 -1.26 -5.14 120.40 105.73 2h46 s VAL 122 Ca -0.08 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 2h46 s VAL 122 Cb -0.02 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2h46 s VAL 122 CO 0.06 -0.37 0.03 -0.69 -0.31 0.00 0.00 175.10 173.82 2h46 s VAL 123 N -3.69 4.02 0.15 1.32 1.01 -1.26 -5.09 120.40 116.87 2h46 s VAL 123 Ca 0.27 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.05 2h46 s VAL 123 Cb 0.06 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2h46 s VAL 123 CO 0.06 0.37 -0.16 -0.54 0.00 0.00 0.00 175.10 174.83 2h46 s LYS 124 N 1.55 1.17 0.01 2.72 -0.14 -1.26 -5.16 119.74 118.63 2h46 s LYS 124 Ca 0.06 -1.36 0.07 0.00 -1.36 0.00 0.00 55.97 53.38 2h46 s LYS 124 Cb -0.15 -1.09 -0.03 0.00 -1.68 0.00 0.00 37.83 34.89 2h46 s LYS 124 CO 0.01 0.21 -0.21 -0.06 -0.76 0.00 0.00 175.35 174.54 2h46 s PHE 125 N -2.28 2.48 -1.63 3.18 0.08 -1.26 -5.00 117.98 113.54 2h46 s PHE 125 Ca 0.14 -0.32 0.29 0.00 0.12 0.00 0.00 56.93 57.16 2h46 s PHE 125 Cb -0.04 -1.49 1.31 0.00 -0.57 0.00 0.00 43.02 42.23 2h46 s PHE 125 CO 0.05 0.14 1.91 0.09 -0.10 0.00 0.00 175.22 177.31 2h46 n ASN 126 N 1.98 0.37 -3.45 1.36 3.02 -1.26 -4.90 115.26 112.39 2h46 n ASN 126 Ca -0.16 -0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 53.75 2h46 n ASN 126 Cb 0.52 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 2h46 n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2h46 s SER 127 N -2.46 -0.52 0.24 6.41 1.04 -1.26 -5.02 113.70 112.12 2h46 s SER 127 Ca 0.30 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 2h46 s SER 127 Cb 0.20 0.54 0.27 0.00 0.10 0.00 0.00 66.02 67.13 2h46 s SER 127 CO 0.47 -0.85 1.75 -0.07 0.98 0.00 0.00 173.24 175.52 2h46 h LEU 128 N 2.06 0.87 -0.62 2.42 3.38 -1.99 -2.13 115.31 119.29 2h46 h LEU 128 Ca -0.30 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.54 2h46 h LEU 128 Cb 1.28 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 2h46 h LEU 128 CO 0.36 0.89 0.30 -1.13 0.09 0.00 0.00 178.44 178.95 2h46 h ASN 129 N 0.86 0.41 0.04 -0.43 -0.00 -1.99 0.85 115.58 115.31 2h46 h ASN 129 Ca 0.17 0.05 -0.17 0.00 -0.00 0.00 0.00 56.30 56.35 2h46 h ASN 129 Cb 0.41 -0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 38.71 2h46 h ASN 129 CO 0.01 0.26 -0.60 -0.33 -0.00 0.00 0.00 177.43 176.77 2h46 h GLU 130 N 0.55 0.56 -0.02 6.67 5.08 -1.91 -1.96 114.58 123.55 2h46 h GLU 130 Ca 0.29 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2h46 h GLU 130 Cb 0.26 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2h46 h GLU 130 CO -0.22 1.00 0.01 1.25 -1.00 0.00 0.00 179.01 180.05 2h46 h LEU 131 N 0.42 0.03 0.04 1.33 6.46 -0.78 -1.42 115.31 121.39 2h46 h LEU 131 Ca -0.00 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2h46 h LEU 131 Cb 1.16 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 2h46 h LEU 131 CO 0.11 0.11 -0.16 0.58 -0.62 0.00 0.00 178.44 178.47 2h46 h VAL 132 N -0.06 0.62 -0.50 1.05 2.07 -0.81 -1.82 116.25 116.81 2h46 h VAL 132 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 2h46 h VAL 132 Cb 0.09 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2h46 h VAL 132 CO -0.00 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.21 2h46 h ASP 133 N -0.28 0.67 -0.67 0.57 3.32 -1.27 -2.25 116.42 116.51 2h46 h ASP 133 Ca 0.04 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2h46 h ASP 133 Cb 0.33 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2h46 h ASP 133 CO -0.12 0.62 0.21 0.22 -1.72 0.00 0.00 179.24 178.45 2h46 h TYR 134 N 0.72 1.08 0.00 4.55 3.20 -1.02 -2.79 116.97 122.71 2h46 h TYR 134 Ca 0.17 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2h46 h TYR 134 Cb 0.18 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2h46 h TYR 134 CO 0.01 0.88 0.00 0.72 -1.64 0.00 0.00 178.16 178.13 2h46 n HIS 135 N -4.33 0.00 0.39 -3.82 8.25 -0.70 -2.20 115.22 112.81 2h46 n HIS 135 Ca 0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 2h46 n HIS 135 Cb 0.22 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.53 2h46 n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h46 h ARG 136 N 0.00 0.00 0.00 -0.41 3.08 -1.39 -0.75 114.38 114.91 2h46 h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2h46 h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2h46 h ARG 136 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2h46 n SER 137 N -2.57 0.46 -4.00 7.04 3.41 -0.93 -4.41 113.62 112.61 2h46 n SER 137 Ca 0.03 -0.90 -0.22 0.00 -0.26 0.00 0.00 58.87 57.53 2h46 n SER 137 Cb 0.49 0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.35 2h46 n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2h46 s THR 138 N -0.08 0.87 0.33 6.66 2.01 -1.02 -5.10 115.64 119.31 2h46 s THR 138 Ca 0.00 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 2h46 s THR 138 Cb 0.00 -0.78 -0.12 0.00 0.01 0.00 0.00 72.50 71.60 2h46 s THR 138 CO 0.00 0.28 1.31 -0.24 -0.69 0.00 0.00 174.62 175.27 2h46 n SER 139 N 3.48 2.77 0.00 3.53 2.88 -1.26 -4.30 113.62 120.72 2h46 n SER 139 Ca -0.20 1.20 0.13 0.00 -1.33 0.00 0.00 58.87 58.67 2h46 n SER 139 Cb 0.53 -1.48 0.63 0.00 -0.75 0.00 0.00 64.21 63.14 2h46 n SER 139 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2h46 n VAL 140 N 0.59 0.17 -4.92 2.46 0.24 -0.56 -4.76 118.33 111.55 2h46 n VAL 140 Ca 0.06 0.04 -0.27 0.00 -2.04 0.00 0.00 64.34 62.13 2h46 n VAL 140 Cb 0.35 -0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 31.97 2h46 n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h46 s SER 141 N -2.74 2.53 0.42 -1.34 0.15 -1.26 -5.02 113.70 106.44 2h46 s SER 141 Ca 0.20 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.64 2h46 s SER 141 Cb 0.18 -0.26 0.45 0.00 -1.71 0.00 0.00 66.02 64.68 2h46 s SER 141 CO 0.43 0.23 1.64 -0.09 1.20 0.00 0.00 173.24 176.65 2h46 h ARG 142 N 5.34 0.00 0.00 5.44 2.43 -2.01 -3.33 114.38 122.25 2h46 h ARG 142 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2h46 h ARG 142 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2h46 h ARG 142 CO 0.46 0.11 -1.34 0.09 -1.51 0.00 0.00 179.97 177.79 2h46 n ASN 143 N -3.14 0.79 -4.02 -3.80 5.03 -1.26 -5.01 115.26 103.85 2h46 n ASN 143 Ca 0.03 -0.48 -0.08 0.00 0.87 0.00 0.00 54.58 54.91 2h46 n ASN 143 Cb 0.54 1.41 -0.09 0.00 -1.02 0.00 0.00 39.78 40.62 2h46 n ASN 143 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2h46 s GLN 144 N -3.00 0.78 -0.69 3.52 -0.21 -1.25 -5.11 119.66 113.70 2h46 s GLN 144 Ca 0.00 -1.17 -0.17 0.00 0.02 0.00 0.00 55.36 54.04 2h46 s GLN 144 Cb 0.13 0.27 0.14 0.00 1.00 0.00 0.00 33.01 34.55 2h46 s GLN 144 CO 0.76 -0.21 0.74 -0.65 -2.12 0.00 0.00 175.29 173.82 2h46 s GLN 145 N -3.93 3.26 -0.21 2.91 -1.52 -1.26 -4.20 119.66 114.72 2h46 s GLN 145 Ca 0.10 -1.76 0.01 0.00 -1.95 0.00 0.00 55.36 51.76 2h46 s GLN 145 Cb 0.07 -4.41 0.05 0.00 -0.22 0.00 0.00 33.01 28.49 2h46 s GLN 145 CO -0.08 -1.47 -0.10 0.42 -0.25 0.00 0.00 175.29 173.82 2h46 s ILE 146 N 1.82 1.66 -0.10 1.08 1.01 -1.26 -5.04 121.20 120.37 2h46 s ILE 146 Ca 0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2h46 s ILE 146 Cb -0.19 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2h46 s ILE 146 CO -0.01 0.13 -0.06 -0.36 0.00 0.00 0.00 174.94 174.65 2h46 s PHE 147 N 1.38 2.98 0.28 3.97 0.08 -1.26 -1.49 117.98 123.91 2h46 s PHE 147 Ca -0.02 -0.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 2h46 s PHE 147 Cb -0.17 -1.81 -0.10 0.00 -0.57 0.00 0.00 43.02 40.37 2h46 s PHE 147 CO -0.08 0.18 1.35 -0.51 -0.10 0.00 0.00 175.22 176.06 2h46 s LEU 148 N -0.33 4.41 -0.01 -0.37 1.43 -0.29 -4.96 118.68 118.56 2h46 s LEU 148 Ca 0.05 2.63 -0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2h46 s LEU 148 Cb -0.12 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2h46 s LEU 148 CO 0.02 -0.59 0.01 -0.13 0.23 0.00 0.00 176.35 175.90 2h46 s ARG 149 N -1.04 -0.01 0.43 1.70 0.52 -1.26 -4.53 118.95 114.77 2h46 s ARG 149 Ca 0.54 0.05 -0.25 0.00 -0.52 0.00 0.00 55.73 55.55 2h46 s ARG 149 Cb -0.40 -0.07 -0.09 0.00 0.52 0.00 0.00 34.95 34.91 2h46 s ARG 149 CO 0.47 -0.04 1.31 -0.25 0.02 0.00 0.00 175.30 176.80 2h46 n ASP 150 N 3.37 2.71 -4.77 0.23 10.43 -1.26 -4.97 116.55 122.29 2h46 n ASP 150 Ca -0.16 1.10 -0.33 0.00 2.57 0.00 0.00 54.79 57.97 2h46 n ASP 150 Cb 0.57 -1.52 0.04 0.00 1.84 0.00 0.00 41.12 42.05 2h46 n ASP 150 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2h46 s ILE 151 N -1.20 3.27 -2.26 0.53 -5.25 -1.26 -5.33 121.20 109.69 2h46 s ILE 151 Ca 0.61 0.59 0.18 0.00 -0.99 0.00 0.00 60.65 61.05 2h46 s ILE 151 Cb -0.49 -3.12 0.14 0.00 2.95 0.00 0.00 42.46 41.94 2h46 s ILE 151 CO 0.57 -0.36 1.07 -0.62 -1.79 0.00 0.00 174.94 173.82