#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in7 s LYS 56 N 0.00 2.09 0.61 2.12 1.02 -1.26 -5.12 119.74 119.20 3in7 s LYS 56 Ca 0.00 -1.22 -0.17 0.00 0.02 0.00 0.00 55.97 54.60 3in7 s LYS 56 Cb 0.00 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3in7 s LYS 56 CO 0.00 0.45 1.12 -1.25 -0.92 0.00 0.00 175.35 174.74 3in7 s PRO 57 N -2.73 3.02 0.07 -1.68 0.04 -1.26 -4.95 135.00 127.51 3in7 s PRO 57 Ca 0.24 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 3in7 s PRO 57 Cb -0.09 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 3in7 s PRO 57 CO 0.15 -1.09 1.55 -1.01 0.04 0.00 0.00 177.00 176.65 3in7 s HIS 58 N -2.12 2.69 -2.00 0.56 3.76 -1.26 -4.89 115.29 112.03 3in7 s HIS 58 Ca 0.69 0.54 0.10 0.00 -0.15 0.00 0.00 55.06 56.24 3in7 s HIS 58 Cb -0.22 -3.86 0.57 0.00 1.11 0.00 0.00 32.58 30.18 3in7 s HIS 58 CO 0.36 -3.32 1.15 -0.35 -0.85 0.00 0.00 174.74 171.73 3in7 n PRO 59 N 5.16 0.73 0.00 8.40 -0.04 -1.26 -3.53 135.00 144.45 3in7 n PRO 59 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 3in7 n PRO 59 Cb 0.41 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 3in7 n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3in7 n TRP 60 N -0.70 0.00 -3.27 0.54 4.27 -1.26 -4.69 117.44 112.33 3in7 n TRP 60 Ca 0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.27 3in7 n TRP 60 Cb 0.03 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.90 3in7 n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3in7 s PHE 61 N -2.02 3.18 -1.68 -2.67 5.36 -1.23 -0.01 117.98 118.91 3in7 s PHE 61 Ca 0.09 0.06 0.15 0.00 -0.96 0.00 0.00 56.93 56.27 3in7 s PHE 61 Cb 0.11 -2.90 0.21 0.00 -0.34 0.00 0.00 43.02 40.10 3in7 s PHE 61 CO 0.46 -0.56 1.09 1.19 -1.46 0.00 0.00 175.22 175.94 3in7 n PHE 62 N 5.69 0.20 -4.69 10.12 3.01 -0.75 -4.99 117.46 126.05 3in7 n PHE 62 Ca -0.06 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.24 3in7 n PHE 62 Cb 0.49 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3in7 n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3in7 n GLY 63 N 0.85 2.03 2.86 1.37 0.00 -1.26 -4.13 105.19 106.91 3in7 n GLY 63 Ca 0.11 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3in7 n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3in7 n LYS 64 N 12.03 3.67 -4.07 1.61 4.81 -1.26 0.25 118.16 135.20 3in7 n LYS 64 Ca 0.00 -3.57 -0.33 0.00 -0.87 0.00 0.00 58.31 53.54 3in7 n LYS 64 Cb 0.00 -2.90 -0.07 0.00 0.02 0.00 0.00 35.03 32.08 3in7 n LYS 64 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3in7 s ILE 65 N 0.22 4.86 0.65 3.15 -4.36 -1.26 -4.98 121.20 119.48 3in7 s ILE 65 Ca 0.39 -0.33 -0.17 0.00 -0.26 0.00 0.00 60.65 60.28 3in7 s ILE 65 Cb 0.10 -3.22 -0.00 0.00 1.25 0.00 0.00 42.46 40.59 3in7 s ILE 65 CO 0.01 0.37 1.20 -2.84 0.24 0.00 0.00 174.94 173.92 3in7 s PRO 66 N -1.69 2.63 0.24 0.37 0.02 -1.26 -4.78 135.00 130.53 3in7 s PRO 66 Ca 0.23 1.75 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 3in7 s PRO 66 Cb -0.12 -1.89 0.40 0.00 0.02 0.00 0.00 34.50 32.90 3in7 s PRO 66 CO 0.14 -1.45 1.81 -0.09 -0.33 0.00 0.00 177.00 177.07 3in7 h ARG 67 N 0.33 0.77 -0.35 5.54 2.43 -1.98 -1.40 114.38 119.71 3in7 h ARG 67 Ca -0.49 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.55 3in7 h ARG 67 Cb 1.29 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3in7 h ARG 67 CO 0.53 0.51 -0.12 0.00 -1.51 0.00 0.00 179.97 179.38 3in7 h ALA 68 N 1.45 1.14 -0.29 2.80 0.00 -1.99 -1.40 119.26 120.97 3in7 h ALA 68 Ca 0.40 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3in7 h ALA 68 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3in7 h ALA 68 CO -0.25 0.54 -0.35 0.87 0.00 0.00 0.00 179.25 180.07 3in7 h LYS 69 N 0.56 0.65 -0.49 0.00 6.56 -1.75 -0.95 116.57 121.15 3in7 h LYS 69 Ca 0.10 -0.31 -0.12 0.00 -1.06 0.00 0.00 60.65 59.26 3in7 h LYS 69 Cb 0.53 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 3in7 h LYS 69 CO 0.03 0.90 -0.18 0.00 -2.06 0.00 0.00 179.45 178.15 3in7 h ALA 70 N 1.07 0.75 -0.36 3.86 0.00 -0.85 -2.52 119.26 121.20 3in7 h ALA 70 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3in7 h ALA 70 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3in7 h ALA 70 CO 0.07 0.67 -0.09 0.93 0.00 0.00 0.00 179.25 180.83 3in7 h GLU 71 N 0.85 0.70 -0.53 0.00 5.08 -1.06 -2.21 114.58 117.42 3in7 h GLU 71 Ca 0.12 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3in7 h GLU 71 Cb 0.75 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 3in7 h GLU 71 CO 0.06 0.85 0.26 1.49 -1.00 0.00 0.00 179.01 180.67 3in7 h GLU 72 N 0.49 0.48 0.05 2.33 4.81 -1.05 -1.68 114.58 120.01 3in7 h GLU 72 Ca 0.09 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.04 3in7 h GLU 72 Cb 0.60 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3in7 h GLU 72 CO 0.04 0.32 -1.21 0.00 -0.73 0.00 0.00 179.01 177.43 3in7 h MET 73 N 0.49 0.10 0.00 1.92 -0.00 -1.46 -3.34 114.93 112.64 3in7 h MET 73 Ca 0.24 -0.18 -0.12 0.00 -0.00 0.00 0.00 59.70 59.64 3in7 h MET 73 Cb 0.17 0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 31.82 3in7 h MET 73 CO -0.18 1.02 -0.57 -0.07 -0.00 0.00 0.00 176.91 177.11 3in7 h LEU 74 N 0.03 0.00 -1.40 -0.10 3.38 -1.23 -3.01 115.31 112.97 3in7 h LEU 74 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3in7 h LEU 74 Cb 1.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 3in7 h LEU 74 CO 0.15 0.57 -0.11 0.77 0.09 0.00 0.00 178.44 179.91 3in7 h SER 75 N 0.00 0.00 1.45 -0.43 4.64 -1.42 -2.46 113.55 115.33 3in7 h SER 75 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3in7 h SER 75 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3in7 h SER 75 CO 0.07 0.11 -0.35 0.11 -0.87 0.00 0.00 176.83 175.90 3in7 h LYS 76 N 0.00 0.00 -7.05 4.77 1.57 -1.65 -3.46 116.57 110.74 3in7 h LYS 76 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3in7 h LYS 76 Cb 0.58 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.97 3in7 h LYS 76 CO 0.01 0.00 0.48 -0.65 -0.57 0.00 0.00 179.45 178.72 3in7 s GLN 77 N -3.22 3.39 0.02 3.15 -1.52 -0.93 -4.98 119.66 115.57 3in7 s GLN 77 Ca 0.06 1.79 0.24 0.00 -1.95 0.00 0.00 55.36 55.50 3in7 s GLN 77 Cb 0.09 -2.16 0.36 0.00 -0.22 0.00 0.00 33.01 31.08 3in7 s GLN 77 CO 0.69 -0.86 1.31 0.54 -0.25 0.00 0.00 175.29 176.72 3in7 n ARG 78 N -1.04 0.07 -5.20 2.91 5.12 -1.26 -4.95 116.66 112.31 3in7 n ARG 78 Ca 0.10 0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.74 3in7 n ARG 78 Cb 0.49 -1.54 -0.16 0.00 -1.16 0.00 0.00 32.46 30.10 3in7 n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3in7 s HIS 79 N -3.05 2.18 0.13 -1.55 3.76 -1.26 -5.11 115.29 110.40 3in7 s HIS 79 Ca 0.09 -0.41 -0.31 0.00 -0.15 0.00 0.00 55.06 54.28 3in7 s HIS 79 Cb 0.16 -1.40 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 3in7 s HIS 79 CO 0.73 -0.03 1.46 -0.51 -0.85 0.00 0.00 174.74 175.54 3in7 s ASP 80 N -0.60 6.73 0.00 1.40 1.01 -1.26 -2.43 116.67 121.52 3in7 s ASP 80 Ca 0.09 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.79 3in7 s ASP 80 Cb -0.09 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3in7 s ASP 80 CO -0.01 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.26 3in7 n GLY 81 N 3.60 0.43 3.70 0.21 0.00 0.11 -4.82 105.19 108.42 3in7 n GLY 81 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3in7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in7 s ALA 82 N -2.00 3.79 0.32 4.61 0.00 -1.02 -1.35 121.76 126.11 3in7 s ALA 82 Ca 0.00 1.46 0.07 0.00 0.00 0.00 0.00 51.96 53.50 3in7 s ALA 82 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 3in7 s ALA 82 CO 0.00 -1.16 0.27 1.97 0.00 0.00 0.00 175.76 176.84 3in7 n PHE 83 N 5.34 -0.73 -3.50 0.00 1.16 -1.18 -0.66 117.46 117.89 3in7 n PHE 83 Ca 0.17 -2.70 -0.15 0.00 -1.87 0.00 0.00 57.45 52.90 3in7 n PHE 83 Cb 0.38 0.27 -0.05 0.00 -1.61 0.00 0.00 39.48 38.47 3in7 n PHE 83 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3in7 s LEU 84 N 0.00 -0.59 -0.12 5.98 0.05 -0.83 -4.32 118.68 118.86 3in7 s LEU 84 Ca 0.38 0.46 -0.01 0.00 0.05 0.00 0.00 54.13 55.01 3in7 s LEU 84 Cb 0.02 2.45 -0.02 0.00 -2.05 0.00 0.00 46.19 46.59 3in7 s LEU 84 CO 0.27 -0.68 -0.09 -0.63 -0.55 0.00 0.00 176.35 174.67 3in7 s ILE 85 N -1.96 3.49 0.15 1.48 -1.09 0.99 -1.80 121.20 122.47 3in7 s ILE 85 Ca -0.06 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 57.88 3in7 s ILE 85 Cb -0.00 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 3in7 s ILE 85 CO 0.02 0.54 -0.09 0.00 -1.23 0.00 0.00 174.94 174.18 3in7 s ARG 86 N -0.02 1.09 -0.27 2.79 1.70 -0.03 -1.81 118.95 122.41 3in7 s ARG 86 Ca -0.01 -1.47 -0.19 0.00 -0.47 0.00 0.00 55.73 53.58 3in7 s ARG 86 Cb -0.14 -0.61 -0.02 0.00 -0.57 0.00 0.00 34.95 33.61 3in7 s ARG 86 CO 0.03 0.05 0.59 -1.21 -1.08 0.00 0.00 175.30 173.69 3in7 s GLU 87 N -3.76 4.04 0.26 3.89 2.02 0.14 -0.34 118.70 124.94 3in7 s GLU 87 Ca 0.18 0.40 -0.31 0.00 0.02 0.00 0.00 54.97 55.26 3in7 s GLU 87 Cb 0.03 -3.67 -0.11 0.00 0.10 0.00 0.00 34.13 30.47 3in7 s GLU 87 CO 0.01 -0.43 1.60 0.45 0.02 0.00 0.00 175.26 176.91 3in7 s SER 88 N 1.54 6.43 -0.10 -0.19 0.15 -0.54 -4.37 113.70 116.62 3in7 s SER 88 Ca 0.24 2.87 0.02 0.00 0.70 0.00 0.00 55.95 59.78 3in7 s SER 88 Cb -0.15 -2.62 -0.24 0.00 -1.71 0.00 0.00 66.02 61.29 3in7 s SER 88 CO 0.10 -0.89 0.43 -0.62 1.20 0.00 0.00 173.24 173.45 3in7 n GLU 89 N 2.78 0.70 0.20 5.44 1.02 -1.26 -3.82 120.64 125.71 3in7 n GLU 89 Ca 0.10 0.26 0.06 0.00 -0.02 0.00 0.00 57.16 57.55 3in7 n GLU 89 Cb 0.37 -1.72 0.43 0.00 -0.02 0.00 0.00 31.44 30.51 3in7 n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3in7 h SER 90 N 0.04 0.00 -2.73 1.62 4.64 -1.99 -3.33 113.55 111.80 3in7 h SER 90 Ca -0.39 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.34 3in7 h SER 90 Cb 2.03 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.73 3in7 h SER 90 CO 0.07 0.32 -0.84 0.00 -0.87 0.00 0.00 176.83 175.50 3in7 s ALA 91 N -4.04 1.85 0.17 5.18 0.00 -1.26 -5.12 121.76 118.53 3in7 s ALA 91 Ca -0.02 -2.60 -0.34 0.00 0.00 0.00 0.00 51.96 49.00 3in7 s ALA 91 Cb 0.13 -1.74 -0.14 0.00 0.00 0.00 0.00 23.12 21.37 3in7 s ALA 91 CO 0.68 -2.03 1.59 -2.30 0.00 0.00 0.00 175.76 173.70 3in7 n PRO 92 N 3.03 2.22 0.00 0.00 -0.02 -1.25 -2.43 135.00 136.56 3in7 n PRO 92 Ca 0.21 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3in7 n PRO 92 Cb 0.41 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3in7 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3in7 n GLY 93 N 3.47 3.15 3.99 -1.23 0.00 -1.26 -5.07 105.19 108.24 3in7 n GLY 93 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3in7 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3in7 s ASP 94 N -0.75 5.63 0.23 1.61 1.01 -1.02 -5.00 116.67 118.38 3in7 s ASP 94 Ca 0.00 -0.18 0.09 0.00 0.71 0.00 0.00 52.55 53.17 3in7 s ASP 94 Cb 0.00 -0.93 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 3in7 s ASP 94 CO 0.00 -0.80 -0.03 -0.36 0.21 0.00 0.00 175.17 174.19 3in7 s PHE 95 N -2.45 2.69 0.02 4.23 0.40 -1.26 -1.46 117.98 120.14 3in7 s PHE 95 Ca 0.53 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 3in7 s PHE 95 Cb -0.10 -1.24 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 3in7 s PHE 95 CO 0.35 0.58 -0.06 -1.12 0.70 0.00 0.00 175.22 175.67 3in7 s SER 96 N -3.35 0.69 -0.18 1.36 0.01 0.54 -1.72 113.70 111.04 3in7 s SER 96 Ca 0.29 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 3in7 s SER 96 Cb -0.07 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.12 3in7 s SER 96 CO 0.18 -0.08 -0.02 -0.22 0.41 0.00 0.00 173.24 173.52 3in7 s LEU 97 N -0.85 3.22 -0.12 2.44 2.96 0.47 -0.85 118.68 125.95 3in7 s LEU 97 Ca -0.04 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3in7 s LEU 97 Cb -0.06 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.83 3in7 s LEU 97 CO 0.00 0.10 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.48 3in7 s SER 98 N 0.77 3.23 -0.00 3.68 0.01 -0.74 -0.14 113.70 120.51 3in7 s SER 98 Ca -0.01 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.74 3in7 s SER 98 Cb -0.14 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 3in7 s SER 98 CO 0.02 0.12 -0.10 -0.69 0.41 0.00 0.00 173.24 173.00 3in7 s VAL 99 N 0.59 0.81 -0.04 3.43 1.01 0.13 -1.96 120.40 124.37 3in7 s VAL 99 Ca -0.12 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3in7 s VAL 99 Cb -0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3in7 s VAL 99 CO 0.03 0.18 0.53 -0.75 0.00 0.00 0.00 175.10 175.09 3in7 s LYS 100 N -0.36 4.26 -0.21 2.72 2.20 0.16 -0.30 119.74 128.22 3in7 s LYS 100 Ca 0.03 0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 56.18 3in7 s LYS 100 Cb -0.04 -3.36 0.10 0.00 -1.51 0.00 0.00 37.83 33.03 3in7 s LYS 100 CO -0.00 0.35 0.37 0.12 -0.36 0.00 0.00 175.35 175.83 3in7 s PHE 101 N -0.05 -0.74 0.00 4.03 2.19 -0.61 0.04 117.98 122.84 3in7 s PHE 101 Ca 0.28 1.12 0.00 0.00 0.33 0.00 0.00 56.93 58.67 3in7 s PHE 101 Cb -0.17 0.12 0.00 0.00 -1.31 0.00 0.00 43.02 41.66 3in7 s PHE 101 CO 0.14 -0.57 0.00 0.41 1.83 0.00 0.00 175.22 177.04 3in7 n GLY 102 N 5.37 2.88 0.97 13.12 0.00 -1.26 -2.04 105.19 124.23 3in7 n GLY 102 Ca -0.06 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.81 3in7 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3in7 n ASN 103 N 4.96 2.84 -4.58 1.61 3.02 -1.26 -4.92 115.26 116.93 3in7 n ASN 103 Ca 0.00 -1.94 -0.25 0.00 -0.03 0.00 0.00 54.58 52.36 3in7 n ASN 103 Cb 0.00 -0.29 -0.09 0.00 -0.61 0.00 0.00 39.78 38.79 3in7 n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3in7 s ASP 104 N -1.24 3.98 -0.21 6.41 1.11 -0.86 -5.07 116.67 120.78 3in7 s ASP 104 Ca 0.37 -1.04 0.01 0.00 0.18 0.00 0.00 52.55 52.07 3in7 s ASP 104 Cb 0.20 -0.46 0.05 0.00 1.07 0.00 0.00 42.92 43.77 3in7 s ASP 104 CO 0.27 -0.17 -0.08 -0.69 1.18 0.00 0.00 175.17 175.68 3in7 s VAL 105 N -2.53 1.58 0.16 -1.27 1.01 -1.26 -1.58 120.40 116.51 3in7 s VAL 105 Ca 0.33 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 3in7 s VAL 105 Cb -0.00 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 3in7 s VAL 105 CO 0.18 0.07 0.56 -1.10 0.00 0.00 0.00 175.10 174.81 3in7 s GLN 106 N 1.41 3.98 -0.04 2.72 -0.21 0.60 -4.89 119.66 123.21 3in7 s GLN 106 Ca -0.03 0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.91 3in7 s GLN 106 Cb -0.17 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 30.94 3in7 s GLN 106 CO -0.07 0.45 -0.25 -1.01 -2.12 0.00 0.00 175.29 172.29 3in7 s HIS 107 N -1.52 2.33 0.01 0.91 3.76 -1.26 -0.69 115.29 118.82 3in7 s HIS 107 Ca 0.40 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 3in7 s HIS 107 Cb -0.15 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 3in7 s HIS 107 CO 0.19 -0.15 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.71 3in7 s PHE 108 N -0.30 1.41 0.05 1.40 0.40 0.81 -5.00 117.98 116.75 3in7 s PHE 108 Ca 0.01 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.83 3in7 s PHE 108 Cb -0.12 -0.89 -0.06 0.00 0.51 0.00 0.00 43.02 42.46 3in7 s PHE 108 CO 0.02 0.00 0.65 0.15 0.70 0.00 0.00 175.22 176.74 3in7 s LYS 109 N -0.62 4.37 -0.60 0.44 1.02 -1.26 -0.40 119.74 122.68 3in7 s LYS 109 Ca 0.05 0.86 -0.20 0.00 0.02 0.00 0.00 55.97 56.71 3in7 s LYS 109 Cb -0.07 -3.31 0.09 0.00 -0.52 0.00 0.00 37.83 34.02 3in7 s LYS 109 CO 0.00 0.43 0.78 0.08 -0.92 0.00 0.00 175.35 175.72 3in7 s VAL 110 N -0.48 4.67 0.37 3.17 1.01 -0.70 -4.68 120.40 123.77 3in7 s VAL 110 Ca 0.33 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 3in7 s VAL 110 Cb -0.20 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.56 3in7 s VAL 110 CO 0.20 -1.19 0.99 -0.76 0.00 0.00 0.00 175.10 174.34 3in7 s LEU 111 N 3.11 4.19 0.17 3.92 1.43 0.07 -4.38 118.68 127.20 3in7 s LEU 111 Ca 0.15 1.90 0.10 0.00 -1.03 0.00 0.00 54.13 55.26 3in7 s LEU 111 Cb -0.21 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3in7 s LEU 111 CO 0.08 -0.29 -0.22 -0.13 0.23 0.00 0.00 176.35 176.02 3in7 s ARG 112 N -2.42 1.38 0.27 1.70 1.81 -1.26 -1.24 118.95 119.21 3in7 s ARG 112 Ca 0.55 -1.43 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 3in7 s ARG 112 Cb -0.19 -1.65 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 3in7 s ARG 112 CO 0.24 0.36 0.03 -0.40 -0.68 0.00 0.00 175.30 174.85 3in7 n ASP 113 N 0.45 2.62 0.13 0.23 5.68 -1.22 -4.99 116.55 119.45 3in7 n ASP 113 Ca -0.14 -2.16 0.12 0.00 -0.50 0.00 0.00 54.79 52.11 3in7 n ASP 113 Cb 0.56 0.16 0.49 0.00 -1.14 0.00 0.00 41.12 41.18 3in7 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3in7 n GLY 114 N 1.72 -1.28 0.29 6.12 0.00 -1.26 -2.12 105.19 108.65 3in7 n GLY 114 Ca -0.10 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3in7 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in7 n ALA 115 N -1.77 2.91 -1.05 4.61 0.00 -1.26 -4.93 120.51 119.01 3in7 n ALA 115 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 3in7 n ALA 115 Cb 0.23 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 3in7 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3in7 n GLY 116 N 1.29 0.54 3.84 0.00 0.00 -0.90 -5.03 105.19 104.92 3in7 n GLY 116 Ca 0.14 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 3in7 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in7 s LYS 117 N -1.57 3.23 -0.08 1.61 -0.14 -1.26 -4.88 119.74 116.64 3in7 s LYS 117 Ca 0.00 0.88 0.02 0.00 -1.36 0.00 0.00 55.97 55.51 3in7 s LYS 117 Cb 0.00 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 3in7 s LYS 117 CO 0.00 -0.87 -0.13 0.71 -0.76 0.00 0.00 175.35 174.30 3in7 s TYR 118 N -3.07 2.76 0.16 3.18 1.51 0.80 -3.42 117.35 119.27 3in7 s TYR 118 Ca 0.57 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 56.07 3in7 s TYR 118 Cb -0.13 -1.72 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 3in7 s TYR 118 CO 0.54 0.03 0.55 -0.59 -1.11 0.00 0.00 175.55 174.97 3in7 s PHE 119 N -0.28 -0.38 -0.09 2.71 -0.12 -0.37 -0.48 117.98 118.96 3in7 s PHE 119 Ca 0.02 0.12 -0.02 0.00 -0.05 0.00 0.00 56.93 57.00 3in7 s PHE 119 Cb -0.13 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 3in7 s PHE 119 CO 0.03 -0.85 -0.10 1.28 -0.05 0.00 0.00 175.22 175.53 3in7 n LEU 120 N -0.34 1.90 0.00 -1.99 4.77 -1.26 -0.75 117.00 119.33 3in7 n LEU 120 Ca -0.15 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3in7 n LEU 120 Cb 0.64 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3in7 n LEU 120 CO 0.14 0.44 0.00 0.79 -1.33 0.00 0.00 177.39 177.43 3in7 n TRP 121 N -3.07 0.00 -0.05 -1.77 7.02 -1.26 -4.90 117.44 113.41 3in7 n TRP 121 Ca -0.17 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.21 3in7 n TRP 121 Cb 0.65 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.51 3in7 n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3in7 n VAL 122 N 0.00 0.53 -1.78 -0.99 0.31 -1.26 -5.02 118.33 110.12 3in7 n VAL 122 Ca 0.00 -0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 3in7 n VAL 122 Cb 0.00 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.28 3in7 n VAL 122 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3in7 s VAL 123 N -2.18 2.32 -0.06 2.52 1.01 -1.26 -5.00 120.40 117.75 3in7 s VAL 123 Ca -0.14 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3in7 s VAL 123 Cb 0.05 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3in7 s VAL 123 CO 0.17 0.01 0.25 -0.54 0.00 0.00 0.00 175.10 174.99 3in7 s LYS 124 N 1.59 3.62 0.10 2.72 3.01 -1.26 -4.50 119.74 125.02 3in7 s LYS 124 Ca 0.75 0.06 0.09 0.00 -1.01 0.00 0.00 55.97 55.86 3in7 s LYS 124 Cb -0.47 -3.18 -0.03 0.00 -1.01 0.00 0.00 37.83 33.13 3in7 s LYS 124 CO 0.33 0.73 -0.23 -0.06 0.51 0.00 0.00 175.35 176.63 3in7 s PHE 125 N -1.09 1.99 -0.36 3.18 0.40 0.37 -4.94 117.98 117.53 3in7 s PHE 125 Ca 0.20 -0.40 0.25 0.00 -0.60 0.00 0.00 56.93 56.38 3in7 s PHE 125 Cb -0.14 -1.11 0.56 0.00 0.51 0.00 0.00 43.02 42.84 3in7 s PHE 125 CO 0.09 0.22 1.69 -0.91 0.70 0.00 0.00 175.22 177.01 3in7 h ASN 126 N 4.19 0.00 -5.17 1.36 4.21 -1.92 0.23 115.58 118.48 3in7 h ASN 126 Ca -0.47 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.96 3in7 h ASN 126 Cb 1.17 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.24 3in7 h ASN 126 CO 0.40 0.00 -0.27 -0.94 -1.29 0.00 0.00 177.43 175.33 3in7 s SER 127 N -6.01 0.01 0.32 5.81 1.04 -1.26 -4.82 113.70 108.80 3in7 s SER 127 Ca 0.06 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.87 3in7 s SER 127 Cb 0.06 0.41 0.56 0.00 0.10 0.00 0.00 66.02 67.15 3in7 s SER 127 CO 0.64 -0.82 1.88 -0.07 0.98 0.00 0.00 173.24 175.85 3in7 h LEU 128 N 2.58 0.60 -0.86 2.42 3.38 -1.96 -2.45 115.31 119.02 3in7 h LEU 128 Ca -0.33 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3in7 h LEU 128 Cb 1.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3in7 h LEU 128 CO 0.51 0.61 0.31 -1.13 0.09 0.00 0.00 178.44 178.83 3in7 h ASN 129 N 0.64 1.06 0.48 -0.43 -0.00 -1.99 -1.59 115.58 113.74 3in7 h ASN 129 Ca 0.15 -0.16 -0.17 0.00 -0.00 0.00 0.00 56.30 56.12 3in7 h ASN 129 Cb 0.25 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.28 3in7 h ASN 129 CO -0.00 0.93 -0.73 -0.33 -0.00 0.00 0.00 177.43 177.30 3in7 h GLU 130 N 1.12 0.21 0.17 6.67 5.08 -1.89 -1.64 114.58 124.29 3in7 h GLU 130 Ca 0.26 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3in7 h GLU 130 Cb 0.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3in7 h GLU 130 CO -0.02 0.85 -0.08 1.25 -1.00 0.00 0.00 179.01 180.00 3in7 h LEU 131 N 0.14 -0.19 -0.04 1.33 6.46 -1.09 -2.14 115.31 119.77 3in7 h LEU 131 Ca -0.02 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 3in7 h LEU 131 Cb 1.29 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.25 3in7 h LEU 131 CO 0.11 0.05 -0.09 0.58 -0.62 0.00 0.00 178.44 178.47 3in7 h VAL 132 N -0.45 0.75 -0.55 1.05 2.07 -1.31 -2.47 116.25 115.36 3in7 h VAL 132 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3in7 h VAL 132 Cb 0.35 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3in7 h VAL 132 CO 0.04 0.00 0.22 0.44 0.02 0.00 0.00 177.57 178.29 3in7 h ASP 133 N -0.14 0.72 -0.48 0.57 3.32 -1.29 -2.45 116.42 116.66 3in7 h ASP 133 Ca 0.05 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3in7 h ASP 133 Cb 0.21 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3in7 h ASP 133 CO -0.12 0.64 -0.00 0.22 -1.72 0.00 0.00 179.24 178.26 3in7 h TYR 134 N 0.78 0.93 0.00 4.55 3.20 -1.24 -2.95 116.97 122.25 3in7 h TYR 134 Ca 0.19 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3in7 h TYR 134 Cb 0.15 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3in7 h TYR 134 CO 0.01 0.88 0.00 0.72 -1.64 0.00 0.00 178.16 178.13 3in7 n HIS 135 N -4.34 0.00 0.10 -3.82 8.25 -0.93 -1.99 115.22 112.49 3in7 n HIS 135 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 3in7 n HIS 135 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 3in7 n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3in7 h ARG 136 N 0.00 0.00 0.00 -0.41 3.08 -1.41 -0.09 114.38 115.55 3in7 h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3in7 h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3in7 h ARG 136 CO 0.00 0.20 -0.35 -1.13 -1.07 0.00 0.00 179.97 177.62 3in7 n SER 137 N -2.90 1.22 -4.13 7.04 3.41 -1.00 -4.48 113.62 112.78 3in7 n SER 137 Ca -0.03 -0.41 -0.27 0.00 -0.26 0.00 0.00 58.87 57.90 3in7 n SER 137 Cb 0.69 1.03 -0.16 0.00 -0.26 0.00 0.00 64.21 65.50 3in7 n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3in7 s THR 138 N -1.44 1.48 0.46 6.66 2.01 -0.84 -5.09 115.64 118.87 3in7 s THR 138 Ca 0.00 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 3in7 s THR 138 Cb 0.02 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 3in7 s THR 138 CO 0.09 0.43 1.38 -0.55 -0.69 0.00 0.00 174.62 175.27 3in7 s SER 139 N 0.19 5.89 0.00 3.53 0.15 -1.26 -4.25 113.70 117.95 3in7 s SER 139 Ca -0.08 2.82 0.29 0.00 0.70 0.00 0.00 55.95 59.68 3in7 s SER 139 Cb -0.13 -2.65 1.18 0.00 -1.71 0.00 0.00 66.02 62.71 3in7 s SER 139 CO 0.03 -1.16 1.85 1.33 1.20 0.00 0.00 173.24 176.50 3in7 n VAL 140 N -0.26 0.00 -4.23 4.45 0.24 -0.79 -4.84 118.33 112.90 3in7 n VAL 140 Ca 0.06 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.34 62.13 3in7 n VAL 140 Cb 0.43 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.43 3in7 n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3in7 s SER 141 N -2.73 2.01 0.08 -1.34 0.15 -1.26 -5.05 113.70 105.56 3in7 s SER 141 Ca 0.22 -0.64 0.23 0.00 0.70 0.00 0.00 55.95 56.46 3in7 s SER 141 Cb 0.19 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 3in7 s SER 141 CO 0.52 -0.02 0.96 -2.11 1.20 0.00 0.00 173.24 173.79 3in7 n ARG 142 N 1.23 0.42 -0.02 5.44 1.85 -1.26 -4.33 116.66 119.99 3in7 n ARG 142 Ca -0.20 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.43 3in7 n ARG 142 Cb 0.54 -1.64 -0.13 0.00 -1.05 0.00 0.00 32.46 30.17 3in7 n ARG 142 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3in7 h ASN 143 N 0.00 0.30 -3.65 2.89 4.21 -2.01 -3.48 115.58 113.85 3in7 h ASN 143 Ca 0.00 -0.81 -0.57 0.00 1.21 0.00 0.00 56.30 56.12 3in7 h ASN 143 Cb 0.83 -0.10 -0.19 0.00 -1.12 0.00 0.00 38.32 37.74 3in7 h ASN 143 CO 0.00 1.72 -0.81 -1.10 -1.29 0.00 0.00 177.43 175.95 3in7 s GLN 144 N -2.49 1.30 -0.83 0.81 -0.21 -1.26 -5.09 119.66 111.89 3in7 s GLN 144 Ca -0.24 -1.37 -0.21 0.00 0.02 0.00 0.00 55.36 53.56 3in7 s GLN 144 Cb 0.06 -1.50 0.09 0.00 1.00 0.00 0.00 33.01 32.66 3in7 s GLN 144 CO 0.72 0.32 1.13 -0.65 -2.12 0.00 0.00 175.29 174.69 3in7 s GLN 145 N -2.50 3.39 -0.33 2.91 -1.52 -1.26 -4.25 119.66 116.09 3in7 s GLN 145 Ca 0.14 -1.21 0.01 0.00 -1.95 0.00 0.00 55.36 52.36 3in7 s GLN 145 Cb -0.08 -4.68 0.09 0.00 -0.22 0.00 0.00 33.01 28.12 3in7 s GLN 145 CO 0.07 -1.88 0.04 0.42 -0.25 0.00 0.00 175.29 173.68 3in7 s ILE 146 N 3.78 2.58 -0.13 1.08 1.01 -1.26 -5.03 121.20 123.22 3in7 s ILE 146 Ca 0.31 -1.99 -0.05 0.00 0.00 0.00 0.00 60.65 58.92 3in7 s ILE 146 Cb -0.09 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3in7 s ILE 146 CO -0.00 -0.42 0.06 -0.36 0.00 0.00 0.00 174.94 174.21 3in7 s PHE 147 N 1.05 3.31 0.13 3.97 0.40 -1.26 -1.89 117.98 123.69 3in7 s PHE 147 Ca 0.04 0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 56.30 3in7 s PHE 147 Cb -0.20 -1.93 -0.07 0.00 0.51 0.00 0.00 43.02 41.32 3in7 s PHE 147 CO -0.05 0.43 1.25 -0.51 0.70 0.00 0.00 175.22 177.04 3in7 s LEU 148 N -0.48 4.40 0.00 -0.37 1.43 -0.05 -4.26 118.68 119.35 3in7 s LEU 148 Ca 0.10 2.20 -0.01 0.00 -1.03 0.00 0.00 54.13 55.39 3in7 s LEU 148 Cb -0.12 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 3in7 s LEU 148 CO 0.02 -0.48 0.01 0.00 0.23 0.00 0.00 176.35 176.13 3in7 s ARG 149 N 0.51 0.13 0.31 1.70 1.70 -0.46 -4.41 118.95 118.43 3in7 s ARG 149 Ca 0.58 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 55.38 3in7 s ARG 149 Cb -0.33 0.05 -0.13 0.00 -0.57 0.00 0.00 34.95 33.97 3in7 s ARG 149 CO 0.33 -0.02 1.14 -0.25 -1.08 0.00 0.00 175.30 175.41 3in7 n ASP 150 N 2.57 1.94 -4.75 -2.89 8.00 -1.26 -3.11 116.55 117.05 3in7 n ASP 150 Ca -0.16 1.19 -0.36 0.00 0.71 0.00 0.00 54.79 56.17 3in7 n ASP 150 Cb 0.58 -1.37 0.03 0.00 -0.02 0.00 0.00 41.12 40.35 3in7 n ASP 150 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3in7 s ILE 151 N -1.04 2.53 -0.26 0.53 2.07 -1.26 -4.82 121.20 118.95 3in7 s ILE 151 Ca 0.58 0.35 -0.13 0.00 -1.41 0.00 0.00 60.65 60.04 3in7 s ILE 151 Cb -0.65 -3.15 -0.04 0.00 0.13 0.00 0.00 42.46 38.75 3in7 s ILE 151 CO 0.61 -0.06 0.27 -1.61 -1.91 0.00 0.00 174.94 172.23 3in7 s GLU 152 N -3.22 4.01 0.00 3.50 2.02 -1.26 -5.07 118.70 118.69 3in7 s GLU 152 Ca 0.76 -0.14 0.20 0.00 0.02 0.00 0.00 54.97 55.81 3in7 s GLU 152 Cb -0.32 -3.63 0.16 0.00 0.10 0.00 0.00 34.13 30.44 3in7 s GLU 152 CO 0.36 -0.16 1.14 1.04 0.02 0.00 0.00 175.26 177.66