#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in8 s LYS 56 N 0.00 1.15 0.63 0.03 1.02 -1.26 -5.13 119.74 116.18 3in8 s LYS 56 Ca 0.00 -1.37 -0.17 0.00 0.02 0.00 0.00 55.97 54.45 3in8 s LYS 56 Cb 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.27 3in8 s LYS 56 CO 0.00 0.19 1.16 -1.25 -0.92 0.00 0.00 175.35 174.52 3in8 s PRO 57 N -3.00 2.84 0.08 -1.68 0.04 -1.26 -4.95 135.00 127.07 3in8 s PRO 57 Ca 0.14 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.49 3in8 s PRO 57 Cb -0.04 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 3in8 s PRO 57 CO 0.04 -1.26 1.20 -1.01 0.04 0.00 0.00 177.00 176.01 3in8 s HIS 58 N -1.97 3.44 -1.95 0.56 3.76 -1.26 -4.91 115.29 112.96 3in8 s HIS 58 Ca 0.72 1.31 0.23 0.00 -0.15 0.00 0.00 55.06 57.18 3in8 s HIS 58 Cb -0.25 -3.42 1.37 0.00 1.11 0.00 0.00 32.58 31.39 3in8 s HIS 58 CO 0.37 -1.28 1.76 -0.35 -0.85 0.00 0.00 174.74 174.39 3in8 n PRO 59 N 3.74 0.69 0.00 8.40 -0.04 -1.26 -3.34 135.00 143.19 3in8 n PRO 59 Ca 0.08 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 3in8 n PRO 59 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3in8 n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3in8 n TRP 60 N -1.03 0.00 -3.30 0.54 4.27 -1.26 -4.81 117.44 111.85 3in8 n TRP 60 Ca 0.17 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.35 3in8 n TRP 60 Cb 0.09 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.95 3in8 n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3in8 s PHE 61 N -2.04 3.16 -1.49 -2.67 5.36 -1.21 0.03 117.98 119.13 3in8 s PHE 61 Ca 0.17 -0.24 0.15 0.00 -0.96 0.00 0.00 56.93 56.05 3in8 s PHE 61 Cb 0.15 -2.92 0.36 0.00 -0.34 0.00 0.00 43.02 40.27 3in8 s PHE 61 CO 0.43 -0.67 1.27 1.19 -1.46 0.00 0.00 175.22 175.98 3in8 n PHE 62 N 5.66 0.49 -4.93 10.12 3.01 -0.68 -4.98 117.46 126.15 3in8 n PHE 62 Ca -0.07 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.02 3in8 n PHE 62 Cb 0.48 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 3in8 n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3in8 n GLY 63 N 0.93 2.97 3.40 1.37 0.00 -1.26 -4.04 105.19 108.56 3in8 n GLY 63 Ca 0.15 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 3in8 n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3in8 n LYS 64 N 13.83 3.36 -4.64 1.61 4.81 -1.26 -0.09 118.16 135.77 3in8 n LYS 64 Ca 0.00 -3.70 -0.33 0.00 -0.87 0.00 0.00 58.31 53.41 3in8 n LYS 64 Cb 0.00 -3.10 -0.11 0.00 0.02 0.00 0.00 35.03 31.83 3in8 n LYS 64 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3in8 s ILE 65 N 1.87 3.50 0.66 3.15 -4.36 -1.26 -4.98 121.20 119.79 3in8 s ILE 65 Ca 0.44 -0.65 -0.17 0.00 -0.26 0.00 0.00 60.65 60.01 3in8 s ILE 65 Cb 0.00 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 3in8 s ILE 65 CO 0.01 0.53 1.14 -2.65 0.24 0.00 0.00 174.94 174.21 3in8 n PRO 66 N 2.02 0.88 -0.34 0.37 -0.02 -1.26 -4.76 135.00 131.89 3in8 n PRO 66 Ca -0.17 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.72 3in8 n PRO 66 Cb 0.53 -2.37 0.21 0.00 -0.02 0.00 0.00 33.50 31.84 3in8 n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3in8 h ARG 67 N 0.27 0.92 -0.48 -0.52 2.43 -1.98 -0.80 114.38 114.21 3in8 h ARG 67 Ca -0.49 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.55 3in8 h ARG 67 Cb 1.34 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3in8 h ARG 67 CO 0.51 0.61 0.03 0.00 -1.51 0.00 0.00 179.97 179.60 3in8 h ALA 68 N 1.50 1.14 -0.46 2.80 0.00 -2.00 -2.21 119.26 120.04 3in8 h ALA 68 Ca 0.45 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3in8 h ALA 68 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3in8 h ALA 68 CO -0.25 0.56 -0.07 -0.22 0.00 0.00 0.00 179.25 179.27 3in8 h LYS 69 N 0.74 0.80 -0.74 0.00 1.63 -1.52 -0.11 116.57 117.37 3in8 h LYS 69 Ca 0.15 -0.25 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 3in8 h LYS 69 Cb 0.41 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 3in8 h LYS 69 CO 0.01 0.85 0.23 0.00 -3.45 0.00 0.00 179.45 177.09 3in8 h ALA 70 N 1.19 1.01 -0.44 5.00 0.00 -0.88 -0.73 119.26 124.41 3in8 h ALA 70 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3in8 h ALA 70 Cb 0.54 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3in8 h ALA 70 CO 0.03 0.66 -0.03 0.93 0.00 0.00 0.00 179.25 180.84 3in8 h GLU 71 N 1.10 0.80 -0.27 0.00 5.08 -0.93 -0.55 114.58 119.80 3in8 h GLU 71 Ca 0.24 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3in8 h GLU 71 Cb 0.30 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3in8 h GLU 71 CO -0.01 0.88 0.09 1.49 -1.00 0.00 0.00 179.01 180.46 3in8 h GLU 72 N 0.64 0.21 0.28 2.33 4.81 -0.64 -0.63 114.58 121.58 3in8 h GLU 72 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3in8 h GLU 72 Cb 0.54 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3in8 h GLU 72 CO 0.03 0.14 -0.14 0.52 -0.73 0.00 0.00 179.01 178.83 3in8 h MET 73 N 0.21 -0.37 0.00 1.92 2.86 -1.00 -3.16 114.93 115.40 3in8 h MET 73 Ca 0.12 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3in8 h MET 73 Cb 0.09 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3in8 h MET 73 CO -0.13 -0.11 -0.11 -0.07 1.06 0.00 0.00 176.91 177.55 3in8 h LEU 74 N -0.59 0.00 -1.61 1.22 3.38 -1.05 -2.41 115.31 114.24 3in8 h LEU 74 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3in8 h LEU 74 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3in8 h LEU 74 CO 0.06 0.11 -0.06 0.28 0.09 0.00 0.00 178.44 178.93 3in8 h SER 75 N 0.00 0.16 1.23 -0.43 0.02 -1.07 -1.89 113.55 111.56 3in8 h SER 75 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3in8 h SER 75 Cb 0.37 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3in8 h SER 75 CO 0.01 0.25 -0.03 0.29 -1.14 0.00 0.00 176.83 176.21 3in8 n LYS 76 N -4.37 0.14 -2.43 3.45 5.02 -0.91 -4.83 118.16 114.23 3in8 n LYS 76 Ca -0.01 0.11 -0.39 0.00 -2.02 0.00 0.00 58.31 56.00 3in8 n LYS 76 Cb 0.19 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 3in8 n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3in8 s GLN 77 N -3.06 4.40 0.05 1.97 -1.52 -0.71 -4.97 119.66 115.82 3in8 s GLN 77 Ca 0.12 1.78 -0.02 0.00 -1.95 0.00 0.00 55.36 55.29 3in8 s GLN 77 Cb 0.15 -2.94 -0.27 0.00 -0.22 0.00 0.00 33.01 29.74 3in8 s GLN 77 CO 0.57 0.00 1.03 0.00 -0.25 0.00 0.00 175.29 176.64 3in8 h ARG 78 N 3.26 0.22 -5.63 2.91 3.08 -1.88 -3.47 114.38 112.87 3in8 h ARG 78 Ca -0.48 -0.38 -0.65 0.00 0.07 0.00 0.00 59.98 58.54 3in8 h ARG 78 Cb 1.22 0.14 -0.17 0.00 0.08 0.00 0.00 29.97 31.24 3in8 h ARG 78 CO 0.65 1.13 -0.62 -1.01 -1.07 0.00 0.00 179.97 179.05 3in8 s HIS 79 N -2.64 3.16 0.37 3.04 3.76 -1.26 -5.03 115.29 116.68 3in8 s HIS 79 Ca -0.05 0.05 -0.28 0.00 -0.15 0.00 0.00 55.06 54.63 3in8 s HIS 79 Cb 0.07 -1.90 -0.11 0.00 1.11 0.00 0.00 32.58 31.75 3in8 s HIS 79 CO 0.86 0.28 1.46 -0.25 -0.85 0.00 0.00 174.74 176.24 3in8 n ASP 80 N 2.81 3.65 0.00 1.40 8.00 -1.26 -2.22 116.55 128.93 3in8 n ASP 80 Ca -0.18 1.23 0.00 0.00 0.71 0.00 0.00 54.79 56.55 3in8 n ASP 80 Cb 0.53 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 3in8 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3in8 n GLY 81 N 0.51 2.97 3.69 0.44 0.00 0.01 -4.79 105.19 108.01 3in8 n GLY 81 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 3in8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in8 n ALA 82 N -1.50 1.75 -2.82 4.61 0.00 -0.94 -1.74 120.51 119.88 3in8 n ALA 82 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 3in8 n ALA 82 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.02 3in8 n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3in8 s PHE 83 N 0.51 0.97 0.02 0.00 -0.12 -1.20 -0.63 117.98 117.52 3in8 s PHE 83 Ca 0.73 -1.20 -0.24 0.00 -0.05 0.00 0.00 56.93 56.16 3in8 s PHE 83 Cb -0.61 -0.13 0.06 0.00 -0.63 0.00 0.00 43.02 41.71 3in8 s PHE 83 CO 0.42 -1.02 0.55 -0.48 -0.05 0.00 0.00 175.22 174.65 3in8 s LEU 84 N -3.19 -0.19 -0.13 -1.99 0.05 -0.73 -4.40 118.68 108.11 3in8 s LEU 84 Ca 0.31 0.33 -0.03 0.00 0.05 0.00 0.00 54.13 54.78 3in8 s LEU 84 Cb 0.01 2.19 -0.03 0.00 -2.05 0.00 0.00 46.19 46.31 3in8 s LEU 84 CO 0.17 -0.67 -0.01 -0.63 -0.55 0.00 0.00 176.35 174.67 3in8 s ILE 85 N -2.00 4.20 0.16 1.48 -1.09 0.10 -1.64 121.20 122.43 3in8 s ILE 85 Ca -0.08 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 3in8 s ILE 85 Cb -0.01 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 3in8 s ILE 85 CO 0.02 0.54 -0.02 0.00 -1.23 0.00 0.00 174.94 174.25 3in8 s ARG 86 N -0.23 1.08 -0.34 2.79 1.70 -0.23 -1.68 118.95 122.05 3in8 s ARG 86 Ca 0.05 -1.51 -0.16 0.00 -0.47 0.00 0.00 55.73 53.64 3in8 s ARG 86 Cb -0.12 -0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 33.92 3in8 s ARG 86 CO 0.02 -0.09 0.41 -1.21 -1.08 0.00 0.00 175.30 173.35 3in8 s GLU 87 N -3.88 3.60 0.31 3.89 2.02 0.87 -0.98 118.70 124.52 3in8 s GLU 87 Ca 0.22 -0.32 -0.28 0.00 0.02 0.00 0.00 54.97 54.61 3in8 s GLU 87 Cb 0.06 -3.80 -0.13 0.00 0.10 0.00 0.00 34.13 30.35 3in8 s GLU 87 CO 0.03 -0.55 1.17 0.45 0.02 0.00 0.00 175.26 176.37 3in8 n SER 88 N 5.49 2.08 -0.05 -0.19 2.88 -0.23 -4.47 113.62 119.13 3in8 n SER 88 Ca -0.08 1.19 -0.11 0.00 -1.33 0.00 0.00 58.87 58.54 3in8 n SER 88 Cb 0.49 -1.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.42 3in8 n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3in8 n GLU 89 N 0.73 0.67 0.16 -1.46 1.02 -1.26 -3.87 120.64 116.62 3in8 n GLU 89 Ca 0.07 0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.44 3in8 n GLU 89 Cb 0.34 -1.67 0.15 0.00 -0.02 0.00 0.00 31.44 30.23 3in8 n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3in8 h SER 90 N 0.01 0.00 -2.67 1.62 4.64 -1.98 -3.37 113.55 111.81 3in8 h SER 90 Ca -0.41 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.31 3in8 h SER 90 Cb 2.08 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.77 3in8 h SER 90 CO 0.05 0.42 -0.78 0.00 -0.87 0.00 0.00 176.83 175.65 3in8 n ALA 91 N -2.23 3.16 -1.62 5.18 0.00 -1.26 -5.10 120.51 118.63 3in8 n ALA 91 Ca 0.01 -3.85 -0.48 0.00 0.00 0.00 0.00 53.44 49.13 3in8 n ALA 91 Cb 0.64 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 3in8 n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3in8 n PRO 92 N 2.28 1.55 0.00 0.00 -0.02 -1.25 -1.31 135.00 136.24 3in8 n PRO 92 Ca 0.25 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3in8 n PRO 92 Cb 0.42 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3in8 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3in8 n GLY 93 N 2.48 0.78 3.66 -1.23 0.00 -1.26 -5.05 105.19 104.57 3in8 n GLY 93 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3in8 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3in8 s ASP 94 N -2.47 4.79 0.15 1.61 1.01 -0.43 -5.04 116.67 116.29 3in8 s ASP 94 Ca 0.00 -0.37 0.05 0.00 0.71 0.00 0.00 52.55 52.94 3in8 s ASP 94 Cb 0.00 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.86 3in8 s ASP 94 CO 0.00 0.10 0.10 -0.36 0.21 0.00 0.00 175.17 175.22 3in8 s PHE 95 N -1.66 3.10 0.05 4.23 0.40 -1.26 -1.07 117.98 121.78 3in8 s PHE 95 Ca 0.27 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.63 3in8 s PHE 95 Cb -0.10 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 3in8 s PHE 95 CO 0.18 0.52 -0.14 -1.12 0.70 0.00 0.00 175.22 175.36 3in8 s SER 96 N -2.93 1.70 -0.17 1.36 0.01 -0.15 -1.16 113.70 112.37 3in8 s SER 96 Ca 0.30 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 3in8 s SER 96 Cb -0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3in8 s SER 96 CO 0.22 0.02 -0.09 -0.22 0.41 0.00 0.00 173.24 173.58 3in8 s LEU 97 N -1.25 2.81 -0.12 2.44 2.96 0.45 -1.06 118.68 124.90 3in8 s LEU 97 Ca 0.01 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3in8 s LEU 97 Cb -0.08 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3in8 s LEU 97 CO 0.01 0.09 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.55 3in8 s SER 98 N 0.83 3.89 -0.02 3.68 0.01 -0.65 0.17 113.70 121.61 3in8 s SER 98 Ca -0.03 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3in8 s SER 98 Cb -0.15 -1.53 -0.00 0.00 0.21 0.00 0.00 66.02 64.55 3in8 s SER 98 CO 0.01 0.18 -0.08 -0.69 0.41 0.00 0.00 173.24 173.06 3in8 s VAL 99 N 0.28 0.68 0.21 3.43 1.01 0.56 -1.78 120.40 124.79 3in8 s VAL 99 Ca -0.11 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 3in8 s VAL 99 Cb -0.16 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 3in8 s VAL 99 CO 0.06 0.21 0.85 -0.75 0.00 0.00 0.00 175.10 175.46 3in8 s LYS 100 N 0.03 4.67 -0.28 2.72 2.20 0.20 -0.18 119.74 129.09 3in8 s LYS 100 Ca -0.00 1.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.88 3in8 s LYS 100 Cb -0.06 -3.22 0.17 0.00 -1.51 0.00 0.00 37.83 33.21 3in8 s LYS 100 CO -0.00 0.53 0.53 0.12 -0.36 0.00 0.00 175.35 176.17 3in8 s PHE 101 N -1.21 -1.40 0.00 4.03 2.19 -0.45 -0.81 117.98 120.34 3in8 s PHE 101 Ca 0.39 1.37 0.00 0.00 0.33 0.00 0.00 56.93 59.02 3in8 s PHE 101 Cb -0.24 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.85 3in8 s PHE 101 CO 0.28 -0.86 0.00 0.41 1.83 0.00 0.00 175.22 176.88 3in8 n GLY 102 N 5.41 2.57 1.52 13.12 0.00 -1.26 -1.96 105.19 124.59 3in8 n GLY 102 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 3in8 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3in8 n ASN 103 N 3.35 3.66 -4.19 1.61 3.02 -1.26 -4.90 115.26 116.55 3in8 n ASN 103 Ca 0.00 -2.74 -0.11 0.00 -0.03 0.00 0.00 54.58 51.69 3in8 n ASN 103 Cb 0.00 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.42 3in8 n ASN 103 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3in8 s ASP 104 N -0.42 0.33 -0.15 6.41 2.15 -0.83 -5.13 116.67 119.04 3in8 s ASP 104 Ca 0.33 -1.30 -0.00 0.00 0.43 0.00 0.00 52.55 52.01 3in8 s ASP 104 Cb 0.27 0.32 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 3in8 s ASP 104 CO 0.08 -0.77 -0.09 -0.69 -0.17 0.00 0.00 175.17 173.53 3in8 s VAL 105 N -4.06 1.28 0.05 1.11 1.01 -1.26 -1.34 120.40 117.19 3in8 s VAL 105 Ca 0.32 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 3in8 s VAL 105 Cb 0.07 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 3in8 s VAL 105 CO 0.07 0.30 0.48 -1.10 0.00 0.00 0.00 175.10 174.86 3in8 s GLN 106 N 1.59 4.02 -0.09 2.72 -0.21 0.74 -4.88 119.66 123.55 3in8 s GLN 106 Ca 0.03 0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.97 3in8 s GLN 106 Cb -0.14 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 3in8 s GLN 106 CO -0.09 0.64 -0.19 -1.01 -2.12 0.00 0.00 175.29 172.52 3in8 s HIS 107 N -1.16 2.63 0.06 0.91 3.76 -1.26 -0.32 115.29 119.90 3in8 s HIS 107 Ca 0.28 -0.63 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 3in8 s HIS 107 Cb -0.17 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3in8 s HIS 107 CO 0.16 -0.16 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.60 3in8 s PHE 108 N -0.04 2.02 0.01 1.40 0.40 0.13 -4.97 117.98 116.92 3in8 s PHE 108 Ca -0.05 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.67 3in8 s PHE 108 Cb -0.14 -1.19 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 3in8 s PHE 108 CO 0.04 0.13 0.65 0.15 0.70 0.00 0.00 175.22 176.90 3in8 s LYS 109 N -1.32 4.38 -0.43 0.44 1.02 -1.26 -0.41 119.74 122.16 3in8 s LYS 109 Ca 0.09 0.85 -0.24 0.00 0.02 0.00 0.00 55.97 56.69 3in8 s LYS 109 Cb -0.09 -3.35 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3in8 s LYS 109 CO 0.02 0.33 0.83 0.08 -0.92 0.00 0.00 175.35 175.70 3in8 s VAL 110 N -0.12 4.62 0.43 3.17 1.01 -0.31 -4.73 120.40 124.47 3in8 s VAL 110 Ca 0.34 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 3in8 s VAL 110 Cb -0.19 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3in8 s VAL 110 CO 0.19 -0.67 0.73 -0.76 0.00 0.00 0.00 175.10 174.60 3in8 s LEU 111 N 3.38 3.76 0.02 3.92 1.43 0.15 -4.48 118.68 126.86 3in8 s LEU 111 Ca 0.33 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 3in8 s LEU 111 Cb -0.12 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 3in8 s LEU 111 CO 0.22 -0.47 -0.18 -0.13 0.23 0.00 0.00 176.35 176.02 3in8 s ARG 112 N -4.34 1.32 0.25 1.70 0.52 -1.26 -0.96 118.95 116.18 3in8 s ARG 112 Ca 0.47 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3in8 s ARG 112 Cb -0.10 -1.36 0.05 0.00 0.52 0.00 0.00 34.95 34.06 3in8 s ARG 112 CO 0.39 0.36 0.34 -0.40 0.02 0.00 0.00 175.30 176.00 3in8 n ASP 113 N 2.14 0.37 0.29 0.23 5.75 -0.54 -4.91 116.55 119.88 3in8 n ASP 113 Ca -0.16 -1.33 0.14 0.00 -0.01 0.00 0.00 54.79 53.43 3in8 n ASP 113 Cb 0.54 -0.23 0.87 0.00 -1.03 0.00 0.00 41.12 41.27 3in8 n ASP 113 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3in8 h GLY 114 N -0.25 0.00 0.73 6.12 0.00 -2.01 -2.40 103.07 105.25 3in8 h GLY 114 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3in8 h GLY 114 CO 0.11 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.90 3in8 n ALA 115 N -2.34 3.65 0.00 3.60 0.00 -1.26 -4.95 120.51 119.21 3in8 n ALA 115 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3in8 n ALA 115 Cb 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3in8 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3in8 n GLY 116 N 1.45 0.88 3.78 0.00 0.00 -0.90 -5.09 105.19 105.30 3in8 n GLY 116 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3in8 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in8 s LYS 117 N -0.70 3.56 -0.02 1.61 1.02 -1.26 -4.74 119.74 119.21 3in8 s LYS 117 Ca 0.00 1.53 -0.03 0.00 0.02 0.00 0.00 55.97 57.49 3in8 s LYS 117 Cb 0.00 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 3in8 s LYS 117 CO 0.00 -0.66 0.18 0.71 -0.92 0.00 0.00 175.35 174.66 3in8 s TYR 118 N -1.83 3.55 0.14 3.18 1.51 -0.14 -1.47 117.35 122.29 3in8 s TYR 118 Ca 0.70 0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 56.89 3in8 s TYR 118 Cb -0.21 -1.84 0.07 0.00 -0.11 0.00 0.00 41.96 39.87 3in8 s TYR 118 CO 0.25 0.65 0.67 -0.59 -1.11 0.00 0.00 175.55 175.42 3in8 s PHE 119 N -1.30 -0.47 -0.20 2.71 -0.12 -0.13 -0.09 117.98 118.37 3in8 s PHE 119 Ca 0.26 0.25 -0.07 0.00 -0.05 0.00 0.00 56.93 57.33 3in8 s PHE 119 Cb -0.13 0.57 -0.10 0.00 -0.63 0.00 0.00 43.02 42.73 3in8 s PHE 119 CO 0.18 -0.82 -0.24 1.28 -0.05 0.00 0.00 175.22 175.57 3in8 n LEU 120 N -0.36 1.87 0.00 -1.99 4.77 -1.26 -0.67 117.00 119.35 3in8 n LEU 120 Ca -0.14 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3in8 n LEU 120 Cb 0.64 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3in8 n LEU 120 CO 0.12 0.54 0.00 0.79 -1.33 0.00 0.00 177.39 177.51 3in8 n TRP 121 N -3.70 0.00 0.00 -1.77 7.02 -1.26 -4.86 117.44 112.87 3in8 n TRP 121 Ca -0.39 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 3in8 n TRP 121 Cb 0.81 0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.77 3in8 n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3in8 n VAL 122 N -2.46 0.00 -2.42 -0.99 0.31 -1.26 -5.05 118.33 106.46 3in8 n VAL 122 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3in8 n VAL 122 Cb 0.00 -1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 3in8 n VAL 122 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3in8 s VAL 123 N -1.97 4.08 0.23 2.52 1.01 -1.26 -5.03 120.40 119.99 3in8 s VAL 123 Ca 0.00 1.47 0.10 0.00 0.00 0.00 0.00 61.98 63.55 3in8 s VAL 123 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3in8 s VAL 123 CO 0.00 0.06 -0.13 -1.59 0.00 0.00 0.00 175.10 173.44 3in8 s LYS 124 N 1.61 1.91 0.15 2.72 -2.85 -1.26 -4.33 119.74 117.69 3in8 s LYS 124 Ca 0.58 -1.48 0.02 0.00 -1.00 0.00 0.00 55.97 54.09 3in8 s LYS 124 Cb -0.28 -2.00 -0.05 0.00 -2.06 0.00 0.00 37.83 33.45 3in8 s LYS 124 CO 0.26 0.38 -0.03 -0.06 0.10 0.00 0.00 175.35 176.01 3in8 s PHE 125 N -2.05 1.15 -1.35 1.78 0.40 0.87 -4.91 117.98 113.88 3in8 s PHE 125 Ca 0.27 -0.96 0.23 0.00 -0.60 0.00 0.00 56.93 55.88 3in8 s PHE 125 Cb -0.07 -0.65 1.14 0.00 0.51 0.00 0.00 43.02 43.95 3in8 s PHE 125 CO 0.15 -0.15 1.76 0.09 0.70 0.00 0.00 175.22 177.77 3in8 n ASN 126 N -0.19 0.00 -3.49 1.36 4.13 -1.26 -0.96 115.26 114.84 3in8 n ASN 126 Ca -0.08 0.06 -0.11 0.00 1.68 0.00 0.00 54.58 56.12 3in8 n ASN 126 Cb 0.62 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 3in8 n ASN 126 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3in8 s SER 127 N -2.65 -0.48 0.24 6.41 1.04 -1.26 -4.90 113.70 112.09 3in8 s SER 127 Ca 0.20 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.49 3in8 s SER 127 Cb 0.15 0.58 0.27 0.00 0.10 0.00 0.00 66.02 67.12 3in8 s SER 127 CO 0.37 -0.97 1.74 -0.07 0.98 0.00 0.00 173.24 175.29 3in8 h LEU 128 N 2.08 0.85 -0.47 2.42 3.38 -1.96 -2.14 115.31 119.47 3in8 h LEU 128 Ca -0.33 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.51 3in8 h LEU 128 Cb 1.30 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 3in8 h LEU 128 CO 0.39 0.89 0.10 -1.13 0.09 0.00 0.00 178.44 178.78 3in8 h ASN 129 N 0.83 0.02 0.04 -0.43 -0.00 -1.99 0.10 115.58 114.15 3in8 h ASN 129 Ca 0.16 0.08 -0.16 0.00 -0.00 0.00 0.00 56.30 56.38 3in8 h ASN 129 Cb 0.45 0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.87 3in8 h ASN 129 CO 0.02 0.04 -0.56 -0.33 -0.00 0.00 0.00 177.43 176.60 3in8 h GLU 130 N 0.24 0.55 -0.11 6.67 5.08 -1.90 -1.85 114.58 123.26 3in8 h GLU 130 Ca 0.23 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3in8 h GLU 130 Cb 0.29 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3in8 h GLU 130 CO -0.29 0.96 0.06 1.25 -1.00 0.00 0.00 179.01 179.99 3in8 h LEU 131 N 0.42 0.13 -0.06 1.33 6.46 -0.75 -0.45 115.31 122.39 3in8 h LEU 131 Ca 0.00 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3in8 h LEU 131 Cb 1.11 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 3in8 h LEU 131 CO 0.11 0.17 -0.06 0.58 -0.62 0.00 0.00 178.44 178.62 3in8 h VAL 132 N 0.08 0.83 -0.51 1.05 2.07 -0.75 -2.27 116.25 116.76 3in8 h VAL 132 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3in8 h VAL 132 Cb 0.06 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3in8 h VAL 132 CO -0.01 0.00 0.19 0.44 0.02 0.00 0.00 177.57 178.22 3in8 h ASP 133 N -0.07 0.67 -0.81 0.57 3.32 -1.14 -2.32 116.42 116.64 3in8 h ASP 133 Ca 0.05 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3in8 h ASP 133 Cb 0.14 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3in8 h ASP 133 CO -0.11 0.61 0.36 0.22 -1.72 0.00 0.00 179.24 178.61 3in8 h TYR 134 N 0.73 1.19 -0.05 4.55 3.20 -0.80 -2.57 116.97 123.22 3in8 h TYR 134 Ca 0.17 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3in8 h TYR 134 Cb 0.16 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3in8 h TYR 134 CO 0.01 0.88 0.00 0.72 -1.64 0.00 0.00 178.16 178.13 3in8 n HIS 135 N -4.31 0.07 0.18 -3.82 8.25 -0.88 -2.47 115.22 112.24 3in8 n HIS 135 Ca 0.08 -0.03 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 3in8 n HIS 135 Cb 0.16 -0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.36 3in8 n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3in8 h ARG 136 N 0.29 0.00 0.00 -0.41 3.08 -1.34 -1.50 114.38 114.50 3in8 h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3in8 h ARG 136 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3in8 h ARG 136 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3in8 n SER 137 N -2.86 0.79 -3.89 7.04 3.41 -1.07 -4.44 113.62 112.61 3in8 n SER 137 Ca 0.02 -1.06 -0.24 0.00 -0.26 0.00 0.00 58.87 57.33 3in8 n SER 137 Cb 0.53 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.32 3in8 n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3in8 s THR 138 N -0.06 0.78 0.29 6.66 2.01 -1.03 -5.10 115.64 119.20 3in8 s THR 138 Ca 0.00 -0.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 3in8 s THR 138 Cb 0.00 -0.82 -0.14 0.00 0.01 0.00 0.00 72.50 71.55 3in8 s THR 138 CO 0.00 0.31 1.10 -0.24 -0.69 0.00 0.00 174.62 175.10 3in8 n SER 139 N 4.65 1.72 0.06 3.53 2.88 -1.26 -4.32 113.62 120.88 3in8 n SER 139 Ca -0.15 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.70 3in8 n SER 139 Cb 0.50 -1.34 0.30 0.00 -0.75 0.00 0.00 64.21 62.93 3in8 n SER 139 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3in8 n VAL 140 N 0.39 0.33 -4.17 2.46 0.24 -0.79 -4.87 118.33 111.92 3in8 n VAL 140 Ca 0.09 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 3in8 n VAL 140 Cb 0.33 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.36 3in8 n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3in8 s SER 141 N -4.00 4.76 0.00 -1.34 0.15 -1.26 -5.01 113.70 106.99 3in8 s SER 141 Ca 0.09 -0.28 0.20 0.00 0.70 0.00 0.00 55.95 56.66 3in8 s SER 141 Cb 0.14 -1.04 0.15 0.00 -1.71 0.00 0.00 66.02 63.56 3in8 s SER 141 CO 0.66 0.17 1.12 0.54 1.20 0.00 0.00 173.24 176.93 3in8 n ARG 142 N 0.55 1.73 -0.00 5.44 1.74 -1.26 -4.35 116.66 120.51 3in8 n ARG 142 Ca -0.12 -1.64 0.04 0.00 -0.77 0.00 0.00 57.85 55.36 3in8 n ARG 142 Cb 0.52 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 30.52 3in8 n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3in8 n ASN 143 N 1.06 2.96 -3.80 0.55 3.02 -1.26 -5.04 115.26 112.75 3in8 n ASN 143 Ca 0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.56 3in8 n ASN 143 Cb 0.49 1.40 -0.07 0.00 -0.61 0.00 0.00 39.78 40.99 3in8 n ASN 143 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3in8 s GLN 144 N -2.61 0.84 -0.68 3.52 1.11 -1.26 -5.10 119.66 115.48 3in8 s GLN 144 Ca -0.03 -0.77 -0.23 0.00 0.01 0.00 0.00 55.36 54.34 3in8 s GLN 144 Cb 0.06 0.35 0.07 0.00 -1.01 0.00 0.00 33.01 32.48 3in8 s GLN 144 CO 0.37 -0.28 1.00 -0.65 0.01 0.00 0.00 175.29 175.75 3in8 s GLN 145 N -3.34 3.15 -0.20 2.91 -1.52 -1.26 -4.23 119.66 115.16 3in8 s GLN 145 Ca 0.01 -0.84 0.02 0.00 -1.95 0.00 0.00 55.36 52.60 3in8 s GLN 145 Cb 0.02 -4.28 0.04 0.00 -0.22 0.00 0.00 33.01 28.57 3in8 s GLN 145 CO -0.08 -1.85 -0.15 0.42 -0.25 0.00 0.00 175.29 173.38 3in8 s ILE 146 N 4.14 1.98 -0.13 1.08 1.01 -1.26 -5.05 121.20 122.97 3in8 s ILE 146 Ca 0.24 -1.13 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 3in8 s ILE 146 Cb -0.15 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3in8 s ILE 146 CO 0.09 0.30 -0.05 -0.36 0.00 0.00 0.00 174.94 174.92 3in8 s PHE 147 N 1.27 2.98 0.30 3.97 0.40 -1.26 -1.89 117.98 123.74 3in8 s PHE 147 Ca -0.00 -0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 3in8 s PHE 147 Cb -0.16 -1.89 -0.11 0.00 0.51 0.00 0.00 43.02 41.38 3in8 s PHE 147 CO -0.10 0.03 1.52 -0.51 0.70 0.00 0.00 175.22 176.86 3in8 s LEU 148 N 0.08 4.36 -0.05 -0.37 1.43 -0.56 -4.30 118.68 119.26 3in8 s LEU 148 Ca -0.01 2.87 -0.06 0.00 -1.03 0.00 0.00 54.13 55.89 3in8 s LEU 148 Cb -0.14 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3in8 s LEU 148 CO 0.03 -0.82 0.16 0.00 0.23 0.00 0.00 176.35 175.95 3in8 s ARG 149 N -0.79 0.25 0.39 1.70 1.70 -0.71 -4.45 118.95 117.05 3in8 s ARG 149 Ca 0.60 0.12 -0.26 0.00 -0.47 0.00 0.00 55.73 55.71 3in8 s ARG 149 Cb -0.45 0.12 -0.11 0.00 -0.57 0.00 0.00 34.95 33.93 3in8 s ARG 149 CO 0.49 -0.04 1.28 -0.25 -1.08 0.00 0.00 175.30 175.71 3in8 n ASP 150 N 2.71 2.67 -4.76 -2.89 8.00 -1.26 -3.24 116.55 117.78 3in8 n ASP 150 Ca -0.14 1.15 -0.34 0.00 0.71 0.00 0.00 54.79 56.17 3in8 n ASP 150 Cb 0.58 -1.50 0.04 0.00 -0.02 0.00 0.00 41.12 40.23 3in8 n ASP 150 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3in8 s ILE 151 N -1.16 3.04 -0.88 0.53 -0.00 -1.26 -4.84 121.20 116.62 3in8 s ILE 151 Ca 0.59 0.53 -0.23 0.00 -0.00 0.00 0.00 60.65 61.53 3in8 s ILE 151 Cb -0.53 -3.09 0.06 0.00 -0.00 0.00 0.00 42.46 38.90 3in8 s ILE 151 CO 0.60 -0.25 1.30 -0.70 -0.00 0.00 0.00 174.94 175.88 3in8 s GLU 152 N -3.83 3.42 0.51 0.37 2.56 -1.26 -4.98 118.70 115.48 3in8 s GLU 152 Ca 0.70 -0.93 -0.22 0.00 0.00 0.00 0.00 54.97 54.52 3in8 s GLU 152 Cb -0.23 -4.83 -0.06 0.00 2.00 0.00 0.00 34.13 31.01 3in8 s GLU 152 CO 0.38 -2.08 1.26 -0.65 -0.56 0.00 0.00 175.26 173.61 3in8 s GLN 153 N 4.74 3.44 -0.29 4.30 -0.21 -1.26 -4.98 119.66 125.39 3in8 s GLN 153 Ca 0.38 1.99 -0.26 0.00 0.02 0.00 0.00 55.36 57.49 3in8 s GLN 153 Cb -0.05 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3in8 s GLN 153 CO -0.00 -0.87 0.89 0.54 -2.12 0.00 0.00 175.29 173.72 3in8 s VAL 154 N -1.44 4.72 -2.00 1.09 0.11 -1.26 -5.29 120.40 116.34 3in8 s VAL 154 Ca 0.68 1.47 0.05 0.00 -2.93 0.00 0.00 61.98 61.25 3in8 s VAL 154 Cb -0.34 -4.22 0.15 0.00 -1.53 0.00 0.00 36.38 30.44 3in8 s VAL 154 CO 0.41 -0.27 0.79 -0.81 -3.33 0.00 0.00 175.10 171.89