#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dun n SER 2 N 0.00 -2.64 -2.55 1.61 3.41 -1.26 -4.96 113.62 107.23 2dun n SER 2 Ca 0.00 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.30 2dun n SER 2 Cb 0.00 -0.86 0.03 0.00 -0.26 0.00 0.00 64.21 63.13 2dun n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dun n SER 3 N -1.16 2.78 -3.88 4.04 2.88 -1.26 -5.01 113.62 112.01 2dun n SER 3 Ca 0.02 -2.77 -0.30 0.00 -1.33 0.00 0.00 58.87 54.48 2dun n SER 3 Cb 0.56 -0.45 -0.15 0.00 -0.75 0.00 0.00 64.21 63.42 2dun n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dun s GLY 4 N -3.62 1.40 0.23 0.46 0.00 -1.26 -5.11 107.32 99.42 2dun s GLY 4 Ca 0.36 -1.83 0.10 0.00 0.00 0.00 0.00 44.72 43.34 2dun s GLY 4 CO -0.02 1.20 -0.18 -0.56 0.00 0.00 0.00 173.10 173.54 2dun s SER 5 N 1.33 3.05 0.62 1.64 0.01 -1.26 -5.12 113.70 113.98 2dun s SER 5 Ca 0.05 -0.99 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 2dun s SER 5 Cb -0.18 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 2dun s SER 5 CO -0.14 -0.04 0.74 -0.24 0.41 0.00 0.00 173.24 173.97 2dun n SER 6 N -0.31 -0.21 -3.48 2.44 2.88 -1.26 -5.00 113.62 108.68 2dun n SER 6 Ca -0.08 0.73 -0.27 0.00 -1.33 0.00 0.00 58.87 57.92 2dun n SER 6 Cb 0.59 -1.29 -0.13 0.00 -0.75 0.00 0.00 64.21 62.64 2dun n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dun s GLY 7 N -1.31 0.51 0.23 0.46 0.00 -1.26 -5.13 107.32 100.82 2dun s GLY 7 Ca 0.72 -1.29 0.10 0.00 0.00 0.00 0.00 44.72 44.25 2dun s GLY 7 CO 0.51 2.20 -0.11 -1.35 0.00 0.00 0.00 173.10 174.36 2dun s SER 8 N 1.68 4.11 -0.14 1.64 1.04 -1.26 -5.14 113.70 115.63 2dun s SER 8 Ca 0.13 -0.72 -0.14 0.00 0.48 0.00 0.00 55.95 55.71 2dun s SER 8 Cb -0.18 -0.62 0.04 0.00 0.10 0.00 0.00 66.02 65.35 2dun s SER 8 CO -0.19 0.06 0.39 0.28 0.98 0.00 0.00 173.24 174.76 2dun s THR 9 N -2.04 0.00 0.10 2.02 -1.32 -1.26 -5.03 115.64 108.11 2dun s THR 9 Ca 0.27 -0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 60.55 2dun s THR 9 Cb -0.07 -0.55 -0.08 0.00 -1.51 0.00 0.00 72.50 70.29 2dun s THR 9 CO 0.16 -0.00 1.65 0.03 -2.21 0.00 0.00 174.62 174.24 2dun h ARG 10 N 5.49 0.30 -3.24 7.08 3.08 -1.93 -3.34 114.38 121.82 2dun h ARG 10 Ca -0.27 -0.05 -0.66 0.00 0.07 0.00 0.00 59.98 59.08 2dun h ARG 10 Cb 1.18 -0.05 -0.39 0.00 0.08 0.00 0.00 29.97 30.79 2dun h ARG 10 CO 0.26 0.34 -0.42 -0.06 -1.07 0.00 0.00 179.97 179.03 2dun s PHE 11 N -5.62 3.60 -1.69 3.04 0.08 -1.20 -4.90 117.98 111.30 2dun s PHE 11 Ca -0.14 -3.17 0.15 0.00 0.12 0.00 0.00 56.93 53.90 2dun s PHE 11 Cb 0.07 -2.93 0.83 0.00 -0.57 0.00 0.00 43.02 40.42 2dun s PHE 11 CO 0.71 -0.66 1.38 -0.35 -0.10 0.00 0.00 175.22 176.20 2dun n PRO 12 N 2.38 0.34 -0.62 0.24 -0.04 -1.26 -2.39 135.00 133.65 2dun n PRO 12 Ca 0.17 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2dun n PRO 12 Cb 0.35 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.67 2dun n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dun n GLY 13 N -0.03 2.67 2.78 0.55 0.00 -1.26 -4.85 105.19 105.06 2dun n GLY 13 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2dun n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dun s VAL 14 N -1.85 0.43 -0.30 1.61 1.01 -1.00 -5.06 120.40 115.23 2dun s VAL 14 Ca 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 2dun s VAL 14 Cb 0.33 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 36.18 2dun s VAL 14 CO 0.25 0.27 0.01 0.00 0.00 0.00 0.00 175.10 175.62 2dun s ALA 15 N 1.93 2.84 -0.19 5.51 0.00 -1.26 -3.89 121.76 126.70 2dun s ALA 15 Ca 0.05 -1.76 -0.10 0.00 0.00 0.00 0.00 51.96 50.15 2dun s ALA 15 Cb -0.12 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2dun s ALA 15 CO -0.05 -1.28 0.13 0.42 0.00 0.00 0.00 175.76 174.98 2dun s ILE 16 N 1.27 5.42 -0.11 0.00 1.01 -0.83 0.52 121.20 128.48 2dun s ILE 16 Ca -0.05 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2dun s ILE 16 Cb -0.20 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2dun s ILE 16 CO -0.01 0.46 -0.17 -0.47 0.00 0.00 0.00 174.94 174.75 2dun s TYR 17 N 0.21 2.15 -0.10 3.97 6.14 -0.07 -2.78 117.35 126.87 2dun s TYR 17 Ca 0.09 -1.01 -0.13 0.00 0.64 0.00 0.00 57.07 56.66 2dun s TYR 17 Cb -0.11 -1.52 -0.05 0.00 0.42 0.00 0.00 41.96 40.70 2dun s TYR 17 CO -0.01 -0.49 0.31 -0.51 0.64 0.00 0.00 175.55 175.49 2dun s LEU 18 N 0.87 4.35 -0.29 6.97 1.43 -1.26 -2.92 118.68 127.83 2dun s LEU 18 Ca -0.08 0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 53.41 2dun s LEU 18 Cb -0.15 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2dun s LEU 18 CO -0.00 0.23 2.00 -0.69 0.23 0.00 0.00 176.35 178.11 2dun s VAL 19 N -0.34 3.26 0.09 -1.59 1.01 -1.25 -4.89 120.40 116.70 2dun s VAL 19 Ca 0.19 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 2dun s VAL 19 Cb -0.14 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2dun s VAL 19 CO 0.07 -0.23 1.26 -0.62 0.00 0.00 0.00 175.10 175.58 2dun n GLU 20 N 8.60 -0.25 0.00 2.72 1.02 -1.26 -3.93 120.64 127.54 2dun n GLU 20 Ca 0.26 1.25 0.00 0.00 -0.02 0.00 0.00 57.16 58.65 2dun n GLU 20 Cb 0.46 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2dun n GLU 20 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2dun n PRO 21 N -4.28 0.00 -0.98 3.49 -0.04 -1.26 -4.28 135.00 127.66 2dun n PRO 21 Ca 0.01 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 2dun n PRO 21 Cb 0.15 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 2dun n PRO 21 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dun n ARG 22 N 0.00 0.00 -2.82 0.54 3.00 -1.25 -3.10 116.66 113.03 2dun n ARG 22 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 2dun n ARG 22 Cb 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 32.46 31.72 2dun n ARG 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2dun n MET 23 N 1.10 -2.85 -1.30 -0.14 1.56 -1.26 -4.55 117.12 109.68 2dun n MET 23 Ca 0.07 0.31 0.00 0.00 -0.27 0.00 0.00 57.70 57.81 2dun n MET 23 Cb 0.34 -3.76 0.00 0.00 2.15 0.00 0.00 33.22 31.95 2dun n MET 23 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2dun n GLY 24 N -1.06 -4.33 0.12 -5.12 0.00 -1.18 -4.22 105.19 89.40 2dun n GLY 24 Ca -0.02 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2dun n GLY 24 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dun h ARG 25 N 1.33 0.29 0.04 1.61 0.11 -1.74 -3.33 114.38 112.69 2dun h ARG 25 Ca 0.00 -0.50 -0.25 0.00 0.10 0.00 0.00 59.98 59.33 2dun h ARG 25 Cb 0.01 0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 2dun h ARG 25 CO 0.00 1.16 -1.37 0.77 0.10 0.00 0.00 179.97 180.63 2dun h SER 26 N 0.08 0.14 -1.24 0.08 0.02 -1.89 -3.36 113.55 107.39 2dun h SER 26 Ca -0.28 -0.68 0.36 0.00 -0.84 0.00 0.00 61.79 60.36 2dun h SER 26 Cb 2.04 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 64.44 2dun h SER 26 CO 0.17 1.56 0.83 -0.09 -1.14 0.00 0.00 176.83 178.16 2dun h ARG 27 N -0.67 0.17 -0.71 3.45 9.65 -1.84 -1.20 114.38 123.23 2dun h ARG 27 Ca -0.34 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.61 2dun h ARG 27 Cb 1.51 -0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 29.94 2dun h ARG 27 CO -0.10 0.11 -0.51 -0.09 2.80 0.00 0.00 179.97 182.18 2dun h ARG 28 N 0.17 -0.17 -0.82 0.20 2.43 -1.71 0.12 114.38 114.60 2dun h ARG 28 Ca 0.69 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 60.02 2dun h ARG 28 Cb 2.21 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 31.65 2dun h ARG 28 CO -0.25 -0.12 -0.29 0.00 -1.51 0.00 0.00 179.97 177.80 2dun h ALA 29 N 0.48 0.29 -0.99 2.80 0.00 -1.46 0.12 119.26 120.50 2dun h ALA 29 Ca 0.16 0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.53 2dun h ALA 29 Cb 0.53 0.78 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 2dun h ALA 29 CO -0.77 -0.53 -0.29 0.35 0.00 0.00 0.00 179.25 178.00 2dun h PHE 30 N -0.04 -0.70 0.11 0.00 3.04 -1.09 0.14 116.94 118.40 2dun h PHE 30 Ca 0.34 0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.38 2dun h PHE 30 Cb 0.60 0.46 0.00 0.00 2.56 0.00 0.00 35.95 39.57 2dun h PHE 30 CO -0.72 -0.42 -0.05 -0.07 -2.02 0.00 0.00 178.31 175.03 2dun h LEU 31 N -0.00 -0.13 -0.78 0.59 3.38 -0.77 -2.67 115.31 114.93 2dun h LEU 31 Ca 0.44 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2dun h LEU 31 Cb 0.69 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 2dun h LEU 31 CO -1.01 0.32 -0.46 0.41 0.09 0.00 0.00 178.44 177.79 2dun n THR 32 N -4.95 -0.53 -0.06 0.22 -1.04 -0.04 -0.38 114.28 107.49 2dun n THR 32 Ca -0.09 1.96 -0.10 0.00 -2.04 0.00 0.00 64.05 63.78 2dun n THR 32 Cb 0.25 -2.42 -0.04 0.00 -1.82 0.00 0.00 70.33 66.30 2dun n THR 32 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2dun h GLY 33 N 0.00 0.33 -0.31 3.41 0.00 -1.42 -2.93 103.07 102.15 2dun h GLY 33 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.34 2dun h GLY 33 CO -0.74 0.16 -0.53 -2.00 0.00 0.00 0.00 176.54 173.43 2dun h LEU 34 N 0.20 -1.75 -0.03 3.11 5.85 -0.34 -2.03 115.31 120.33 2dun h LEU 34 Ca 0.07 0.23 0.01 0.00 0.84 0.00 0.00 57.88 59.03 2dun h LEU 34 Cb 0.14 0.71 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2dun h LEU 34 CO -0.01 -0.42 -0.21 0.00 -0.34 0.00 0.00 178.44 177.46 2dun h ALA 35 N -0.02 -0.64 -0.83 1.25 0.00 -0.92 -0.72 119.26 117.38 2dun h ALA 35 Ca 0.07 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.30 2dun h ALA 35 Cb 0.62 0.72 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 2dun h ALA 35 CO -0.55 -0.71 0.44 0.54 0.00 0.00 0.00 179.25 178.97 2dun n ARG 36 N -3.68 -0.05 -0.13 0.00 1.74 -1.05 0.23 116.66 113.72 2dun n ARG 36 Ca -0.03 1.15 -0.11 0.00 -0.77 0.00 0.00 57.85 58.09 2dun n ARG 36 Cb 0.15 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 2dun n ARG 36 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dun h SER 37 N 0.00 0.70 0.09 0.55 0.87 -0.43 -3.23 113.55 112.11 2dun h SER 37 Ca 0.70 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2dun h SER 37 Cb 1.85 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2dun h SER 37 CO -0.64 0.89 -0.05 0.11 -0.53 0.00 0.00 176.83 176.61 2dun h LYS 38 N 0.50 -0.12 0.00 2.24 1.79 0.36 -3.47 116.57 117.87 2dun h LYS 38 Ca 0.10 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2dun h LYS 38 Cb 0.57 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2dun h LYS 38 CO 0.03 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 2dun n GLY 39 N -0.53 0.00 3.45 3.86 0.00 -0.11 -4.94 105.19 106.92 2dun n GLY 39 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2dun n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dun s PHE 40 N 0.00 2.56 -0.34 1.61 0.08 -1.19 -3.23 117.98 117.48 2dun s PHE 40 Ca 0.00 -0.25 -0.23 0.00 0.12 0.00 0.00 56.93 56.57 2dun s PHE 40 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 2dun s PHE 40 CO 0.00 0.23 0.75 0.50 -0.10 0.00 0.00 175.22 176.60 2dun s ARG 41 N -1.34 3.83 -0.25 0.44 3.52 -1.25 -3.70 118.95 120.20 2dun s ARG 41 Ca 0.14 0.37 -0.10 0.00 -0.13 0.00 0.00 55.73 56.01 2dun s ARG 41 Cb -0.10 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 2dun s ARG 41 CO 0.05 -0.74 0.15 0.08 -0.81 0.00 0.00 175.30 174.02 2dun s VAL 42 N 2.94 5.11 0.38 7.11 1.01 -1.26 -1.97 120.40 133.72 2dun s VAL 42 Ca 0.30 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 2dun s VAL 42 Cb -0.14 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 2dun s VAL 42 CO 0.15 0.32 0.86 -0.76 0.00 0.00 0.00 175.10 175.67 2dun s LEU 43 N 1.32 4.00 -0.10 3.92 1.43 -1.12 -5.01 118.68 123.13 2dun s LEU 43 Ca 0.07 1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 54.47 2dun s LEU 43 Cb -0.15 -4.33 -0.28 0.00 0.03 0.00 0.00 46.19 41.47 2dun s LEU 43 CO 0.06 -0.29 0.68 -2.24 0.23 0.00 0.00 176.35 174.80 2dun h ASP 44 N 2.09 0.29 -0.48 2.29 3.04 -1.98 -3.45 116.42 118.22 2dun h ASP 44 Ca -0.48 -0.88 -0.68 0.00 -3.24 0.00 0.00 57.03 51.75 2dun h ASP 44 Cb 1.18 -0.09 -0.13 0.00 -1.04 0.00 0.00 39.33 39.24 2dun h ASP 44 CO 0.63 1.40 -0.52 0.00 -2.04 0.00 0.00 179.24 178.70 2dun s ALA 45 N -2.39 4.04 -1.03 4.15 0.00 -1.26 -5.05 121.76 120.22 2dun s ALA 45 Ca -0.18 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 2dun s ALA 45 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2dun s ALA 45 CO 0.75 -0.03 1.80 0.00 0.00 0.00 0.00 175.76 178.28 2dun s SER 47 N 6.58 6.27 0.48 0.00 0.15 -1.26 -4.97 113.70 120.95 2dun s SER 47 Ca 0.62 0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.70 2dun s SER 47 Cb -0.03 -1.87 1.60 0.00 -1.71 0.00 0.00 66.02 64.02 2dun s SER 47 CO 0.00 0.04 1.89 0.77 1.20 0.00 0.00 173.24 177.15 2dun h SER 48 N 2.09 0.00 -0.30 5.45 4.64 -1.92 -0.85 113.55 122.66 2dun h SER 48 Ca -0.49 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 2dun h SER 48 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2dun h SER 48 CO 0.68 0.00 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.17 2dun h GLU 49 N 0.00 0.74 -4.36 4.77 4.39 -1.93 -3.43 114.58 114.76 2dun h GLU 49 Ca 0.00 -0.25 -0.35 0.00 0.34 0.00 0.00 59.36 59.10 2dun h GLU 49 Cb 0.14 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.63 2dun h GLU 49 CO 0.00 0.84 1.71 0.00 -1.16 0.00 0.00 179.01 180.39 2dun n ALA 50 N -2.49 0.78 0.02 3.43 0.00 -0.33 -4.35 120.51 117.57 2dun n ALA 50 Ca 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.84 2dun n ALA 50 Cb 0.37 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 2dun n ALA 50 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dun h THR 51 N 6.35 0.64 -3.72 0.00 1.35 -0.20 -3.39 112.91 113.94 2dun h THR 51 Ca 0.01 -2.26 -0.33 0.00 -0.55 0.00 0.00 66.41 63.28 2dun h THR 51 Cb 1.03 2.19 -0.31 0.00 -1.73 0.00 0.00 68.15 69.33 2dun h THR 51 CO 1.36 0.37 -0.75 -1.00 -0.25 0.00 0.00 175.52 175.24 2dun s HIS 52 N -2.81 0.43 -0.04 4.73 3.76 -0.45 -3.04 115.29 117.87 2dun s HIS 52 Ca -0.03 -0.07 0.07 0.00 -0.15 0.00 0.00 55.06 54.87 2dun s HIS 52 Cb 0.08 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 2dun s HIS 52 CO 0.81 -0.06 -0.24 0.08 -0.85 0.00 0.00 174.74 174.48 2dun s VAL 53 N 0.33 2.19 -0.17 -0.90 1.01 0.10 -0.89 120.40 122.07 2dun s VAL 53 Ca -0.03 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 2dun s VAL 53 Cb -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2dun s VAL 53 CO -0.00 0.58 0.05 -0.69 0.00 0.00 0.00 175.10 175.03 2dun s VAL 54 N -0.41 4.67 -0.08 2.92 1.01 -1.15 -0.54 120.40 126.83 2dun s VAL 54 Ca 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2dun s VAL 54 Cb -0.12 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.22 2dun s VAL 54 CO 0.01 0.48 0.15 -0.04 0.00 0.00 0.00 175.10 175.71 2dun s MET 55 N 0.21 0.05 0.07 2.72 -1.94 -0.36 -3.90 119.30 116.15 2dun s MET 55 Ca 0.03 0.49 0.04 0.00 -1.71 0.00 0.00 55.69 54.55 2dun s MET 55 Cb -0.12 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 2dun s MET 55 CO 0.01 -0.26 -0.02 -2.00 -0.01 0.00 0.00 175.02 172.74 2dun s GLU 56 N 1.92 2.54 -1.27 2.03 2.12 -1.26 -2.74 118.70 122.03 2dun s GLU 56 Ca -0.01 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.45 2dun s GLU 56 Cb -0.12 -2.53 0.04 0.00 0.26 0.00 0.00 34.13 31.78 2dun s GLU 56 CO -0.06 0.55 0.34 0.39 -0.54 0.00 0.00 175.26 175.95 2dun n GLU 57 N 0.78 -3.27 -4.86 4.30 1.02 -1.26 -4.39 120.64 112.96 2dun n GLU 57 Ca -0.12 0.61 -0.33 0.00 -0.02 0.00 0.00 57.16 57.30 2dun n GLU 57 Cb 0.52 -5.31 -0.15 0.00 -0.02 0.00 0.00 31.44 26.49 2dun n GLU 57 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2dun s THR 58 N -2.88 2.91 0.32 2.62 2.01 -1.26 -5.03 115.64 114.33 2dun s THR 58 Ca 0.24 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 61.23 2dun s THR 58 Cb -0.12 -2.19 -0.10 0.00 0.01 0.00 0.00 72.50 70.10 2dun s THR 58 CO 0.30 0.54 1.20 -0.44 -0.69 0.00 0.00 174.62 175.54 2dun s SER 59 N 0.17 6.93 0.38 3.53 0.01 -1.26 -4.85 113.70 118.61 2dun s SER 59 Ca -0.08 2.47 0.21 0.00 1.31 0.00 0.00 55.95 59.86 2dun s SER 59 Cb -0.15 -2.64 1.25 0.00 0.21 0.00 0.00 66.02 64.69 2dun s SER 59 CO 0.05 -0.40 1.64 0.00 0.41 0.00 0.00 173.24 174.94 2dun h ALA 60 N 3.44 2.26 0.01 1.44 0.00 -1.89 1.17 119.26 125.69 2dun h ALA 60 Ca -0.48 0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 2dun h ALA 60 Cb 1.22 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2dun h ALA 60 CO 0.66 -0.91 -0.90 1.05 0.00 0.00 0.00 179.25 179.15 2dun h GLU 61 N 0.18 0.21 -0.76 0.00 4.11 -1.84 -3.06 114.58 113.42 2dun h GLU 61 Ca 0.78 -0.24 0.01 0.00 0.07 0.00 0.00 59.36 59.98 2dun h GLU 61 Cb 2.07 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 31.35 2dun h GLU 61 CO -0.56 0.98 0.50 0.93 0.07 0.00 0.00 179.01 180.93 2dun h GLU 62 N 0.11 1.00 0.29 1.06 4.39 0.10 -1.59 114.58 119.94 2dun h GLU 62 Ca -0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2dun h GLU 62 Cb 1.54 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2dun h GLU 62 CO 0.14 0.66 -0.14 0.00 -1.16 0.00 0.00 179.01 178.51 2dun h ALA 63 N 1.28 -0.39 -0.03 3.43 0.00 -1.38 0.31 119.26 122.48 2dun h ALA 63 Ca 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dun h ALA 63 Cb -0.12 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2dun h ALA 63 CO -0.06 -0.72 0.03 0.28 0.00 0.00 0.00 179.25 178.78 2dun h VAL 64 N -0.40 0.61 0.06 0.00 2.07 -1.54 -0.17 116.25 116.87 2dun h VAL 64 Ca -0.04 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.20 2dun h VAL 64 Cb 0.30 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2dun h VAL 64 CO 0.07 0.00 -1.42 -1.28 0.02 0.00 0.00 177.57 174.95 2dun h SER 65 N 0.00 0.19 1.10 0.57 0.87 -0.65 -3.00 113.55 112.64 2dun h SER 65 Ca 0.01 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 2dun h SER 65 Cb 0.07 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dun h SER 65 CO -0.00 1.22 -0.47 -0.25 -0.53 0.00 0.00 176.83 176.80 2dun h TRP 66 N 0.03 0.00 0.00 2.24 7.01 0.72 -3.12 115.95 122.83 2dun h TRP 66 Ca -0.19 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.72 2dun h TRP 66 Cb 1.95 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.99 2dun h TRP 66 CO 0.03 0.47 -0.80 -0.56 -2.79 0.00 0.00 178.44 174.79 2dun h GLN 67 N 0.00 0.00 0.55 2.65 -0.00 -1.17 -3.36 115.11 113.77 2dun h GLN 67 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 2dun h GLN 67 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.62 2dun h GLN 67 CO 0.06 0.30 -0.36 0.93 -0.00 0.00 0.00 178.83 179.76 2dun h GLU 68 N 0.00 -0.84 -1.09 0.06 5.08 -1.45 -2.30 114.58 114.04 2dun h GLU 68 Ca -0.05 0.06 0.41 0.00 -1.00 0.00 0.00 59.36 58.77 2dun h GLU 68 Cb 1.35 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.64 2dun h GLU 68 CO 0.04 -0.56 0.66 0.54 -1.00 0.00 0.00 179.01 178.69 2dun n ARG 69 N -5.49 -0.04 0.13 2.33 5.12 -1.25 -0.70 116.66 116.76 2dun n ARG 69 Ca -0.12 1.18 -0.06 0.00 -1.93 0.00 0.00 57.85 56.92 2dun n ARG 69 Cb 0.38 -2.23 -0.03 0.00 -1.16 0.00 0.00 32.46 29.43 2dun n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dun h ARG 70 N 0.00 -0.35 0.00 5.56 3.08 -1.63 -2.99 114.38 118.05 2dun h ARG 70 Ca 0.78 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.85 2dun h ARG 70 Cb 2.32 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.45 2dun h ARG 70 CO -0.54 -0.23 0.61 0.52 -1.07 0.00 0.00 179.97 179.26 2dun h MET 71 N -0.64 0.00 0.07 0.04 2.86 -0.63 0.87 114.93 117.51 2dun h MET 71 Ca -0.04 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.32 2dun h MET 71 Cb 0.28 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.97 2dun h MET 71 CO 0.06 0.00 -1.14 0.00 1.06 0.00 0.00 176.91 176.89 2dun h ALA 72 N 0.77 0.05 -0.24 6.32 0.00 -0.98 -3.31 119.26 121.87 2dun h ALA 72 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2dun h ALA 72 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2dun h ALA 72 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2dun n ALA 73 N -2.67 2.73 -2.17 0.00 0.00 0.23 -5.02 120.51 113.62 2dun n ALA 73 Ca -0.13 -2.09 -0.34 0.00 0.00 0.00 0.00 53.44 50.89 2dun n ALA 73 Cb 0.93 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 2dun n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun s ALA 74 N -2.44 3.38 0.79 0.00 0.00 0.24 -5.04 121.76 118.70 2dun s ALA 74 Ca 0.36 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 2dun s ALA 74 Cb 0.28 -2.74 0.07 0.00 0.00 0.00 0.00 23.12 20.73 2dun s ALA 74 CO 0.09 0.35 1.09 -1.25 0.00 0.00 0.00 175.76 176.05 2dun s PRO 75 N -2.62 2.08 0.33 0.00 0.04 -1.26 -4.96 135.00 128.60 2dun s PRO 75 Ca 0.49 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 2dun s PRO 75 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 2dun s PRO 75 CO 0.19 -1.75 1.22 -1.25 0.04 0.00 0.00 177.00 175.45 2dun s PRO 76 N -4.91 4.38 0.00 0.56 0.04 -1.26 -2.95 135.00 130.86 2dun s PRO 76 Ca 0.62 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2dun s PRO 76 Cb -0.17 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2dun s PRO 76 CO 0.56 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2dun n GLY 77 N 0.88 2.82 3.76 0.56 0.00 -1.26 -5.01 105.19 106.94 2dun n GLY 77 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2dun n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dun s THR 79 N -0.42 4.72 0.23 0.00 2.01 -1.26 -5.02 115.64 115.89 2dun s THR 79 Ca 0.57 1.34 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 2dun s THR 79 Cb -0.44 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 2dun s THR 79 CO 0.50 0.50 1.28 -2.16 -0.69 0.00 0.00 174.62 174.05 2dun s PRO 80 N -0.80 4.42 0.58 4.92 0.04 -1.26 -4.91 135.00 137.99 2dun s PRO 80 Ca 0.31 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 2dun s PRO 80 Cb -0.20 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2dun s PRO 80 CO 0.20 -0.18 1.12 -1.25 0.04 0.00 0.00 177.00 176.94 2dun s PRO 81 N -0.59 3.18 -0.48 0.56 0.04 -1.26 -4.98 135.00 131.47 2dun s PRO 81 Ca 0.54 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 2dun s PRO 81 Cb -0.36 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2dun s PRO 81 CO 0.41 -0.97 0.65 0.00 0.04 0.00 0.00 177.00 177.13 2dun s ALA 82 N -1.94 3.35 0.05 8.56 0.00 -1.17 -4.95 121.76 125.65 2dun s ALA 82 Ca 0.71 -1.45 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 2dun s ALA 82 Cb -0.23 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 2dun s ALA 82 CO 0.31 -1.93 1.34 -0.51 0.00 0.00 0.00 175.76 174.98 2dun s LEU 83 N 2.81 4.34 0.25 0.00 1.43 -1.26 0.01 118.68 126.27 2dun s LEU 83 Ca 0.20 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 2dun s LEU 83 Cb -0.16 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2dun s LEU 83 CO 0.16 -0.64 0.17 -0.76 0.23 0.00 0.00 176.35 175.51 2dun s LEU 84 N 1.68 1.41 0.24 1.79 1.43 0.30 -3.33 118.68 122.20 2dun s LEU 84 Ca 0.63 -1.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2dun s LEU 84 Cb -0.32 0.37 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 2dun s LEU 84 CO 0.28 -0.89 0.11 -0.62 0.23 0.00 0.00 176.35 175.46 2dun s ASP 85 N -3.25 5.16 0.41 2.29 2.15 -1.21 -1.23 116.67 120.99 2dun s ASP 85 Ca 0.39 -0.38 0.23 0.00 0.43 0.00 0.00 52.55 53.22 2dun s ASP 85 Cb 0.06 -1.20 1.23 0.00 -0.30 0.00 0.00 42.92 42.71 2dun s ASP 85 CO 0.17 -0.01 1.71 -0.29 -0.17 0.00 0.00 175.17 176.58 2dun h ILE 86 N 1.73 0.35 -1.08 4.11 6.09 -1.88 0.24 117.51 127.08 2dun h ILE 86 Ca -0.47 -0.09 0.33 0.00 -1.37 0.00 0.00 64.86 63.26 2dun h ILE 86 Cb 1.24 0.07 -0.13 0.00 0.47 0.00 0.00 36.82 38.46 2dun h ILE 86 CO 0.61 0.05 0.66 -1.28 -3.07 0.00 0.00 178.15 175.11 2dun h SER 87 N 0.26 0.46 0.64 2.19 0.87 -1.94 -0.89 113.55 115.14 2dun h SER 87 Ca 0.69 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 61.37 2dun h SER 87 Cb 1.94 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 64.00 2dun h SER 87 CO -0.36 -0.07 -0.31 -0.25 -0.53 0.00 0.00 176.83 175.31 2dun h TRP 88 N 0.31 -0.80 -0.27 2.24 7.01 -0.91 -2.35 115.95 121.19 2dun h TRP 88 Ca 0.71 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.73 2dun h TRP 88 Cb 1.79 0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 29.04 2dun h TRP 88 CO -0.01 -0.50 -0.52 1.25 -2.79 0.00 0.00 178.44 175.88 2dun h LEU 89 N -1.14 -1.70 -0.66 0.65 5.85 -1.32 0.50 115.31 117.49 2dun h LEU 89 Ca -0.09 0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.97 2dun h LEU 89 Cb 0.66 0.68 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 2dun h LEU 89 CO 0.14 -0.41 -0.21 0.71 -0.34 0.00 0.00 178.44 178.33 2dun h THR 90 N -0.45 0.28 -0.45 1.05 1.35 -1.31 0.57 112.91 113.95 2dun h THR 90 Ca 0.05 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.95 2dun h THR 90 Cb 0.60 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 2dun h THR 90 CO -0.50 0.00 0.30 -0.33 -0.25 0.00 0.00 175.52 174.75 2dun h GLU 91 N -0.04 0.46 0.00 4.72 4.39 -0.70 0.30 114.58 123.71 2dun h GLU 91 Ca 0.31 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.75 2dun h GLU 91 Cb 0.51 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2dun h GLU 91 CO -0.70 0.30 -0.94 0.77 -1.16 0.00 0.00 179.01 177.29 2dun h SER 92 N 0.47 0.50 -0.01 1.42 0.02 0.21 -2.65 113.55 113.51 2dun h SER 92 Ca 0.19 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2dun h SER 92 Cb 0.15 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dun h SER 92 CO -0.05 1.20 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.76 2dun h LEU 93 N 0.22 0.04 -2.00 5.07 3.38 0.59 0.75 115.31 123.35 2dun h LEU 93 Ca -0.08 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 2dun h LEU 93 Cb 1.57 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2dun h LEU 93 CO 0.16 0.53 -0.07 1.23 0.09 0.00 0.00 178.44 180.39 2dun h GLY 94 N -0.46 0.00 0.48 0.83 0.00 -1.07 -2.08 103.07 100.77 2dun h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dun h GLY 94 CO 0.00 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 175.38 2dun n ALA 95 N -2.18 3.37 0.00 3.60 0.00 -1.00 -4.96 120.51 119.34 2dun n ALA 95 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2dun n ALA 95 Cb 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2dun n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dun n GLY 96 N 1.35 3.00 3.31 0.00 0.00 0.23 -4.96 105.19 108.11 2dun n GLY 96 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2dun n GLY 96 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dun s GLN 97 N -0.01 1.19 -0.40 1.61 -2.07 -1.04 -4.68 119.66 114.27 2dun s GLN 97 Ca 0.00 -1.27 -0.28 0.00 -1.82 0.00 0.00 55.36 51.99 2dun s GLN 97 Cb 0.00 -1.36 -0.01 0.00 -1.09 0.00 0.00 33.01 30.54 2dun s GLN 97 CO 0.00 0.30 1.73 -1.25 -1.32 0.00 0.00 175.29 174.75 2dun s PRO 98 N -2.31 3.26 0.58 9.60 0.04 -1.26 -4.36 135.00 140.55 2dun s PRO 98 Ca 0.11 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 2dun s PRO 98 Cb -0.08 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 2dun s PRO 98 CO 0.05 -1.95 1.10 0.14 0.04 0.00 0.00 177.00 176.38 2dun s VAL 99 N 6.97 3.39 0.08 -0.36 -7.23 -1.26 -4.98 120.40 117.01 2dun s VAL 99 Ca 0.74 0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 61.36 2dun s VAL 99 Cb -0.19 -3.28 -0.07 0.00 0.56 0.00 0.00 36.38 33.41 2dun s VAL 99 CO 0.31 -0.29 1.39 -2.16 -0.31 0.00 0.00 175.10 174.05 2dun s PRO 100 N -3.65 4.31 0.20 4.82 0.04 -1.26 -4.95 135.00 134.52 2dun s PRO 100 Ca 0.69 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.44 2dun s PRO 100 Cb -0.20 -3.36 -0.15 0.00 0.04 0.00 0.00 34.50 30.82 2dun s PRO 100 CO 0.32 -0.48 1.22 0.28 0.04 0.00 0.00 177.00 178.38 2dun n VAL 101 N 4.19 0.99 -4.46 -0.36 0.31 -1.26 -4.99 118.33 112.75 2dun n VAL 101 Ca 0.12 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.89 2dun n VAL 101 Cb 0.43 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.27 2dun n VAL 101 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2dun s GLU 102 N -0.47 2.22 0.08 5.55 -1.05 -1.26 -5.01 118.70 118.75 2dun s GLU 102 Ca 0.71 -2.29 -0.27 0.00 -0.15 0.00 0.00 54.97 52.97 2dun s GLU 102 Cb -0.78 -1.73 -0.17 0.00 -0.44 0.00 0.00 34.13 31.01 2dun s GLU 102 CO 0.52 -0.48 1.66 0.00 0.95 0.00 0.00 175.26 177.91 2dun h ARG 104 N -0.38 0.00 -0.06 0.00 3.08 -2.02 -1.05 114.38 113.95 2dun h ARG 104 Ca -0.04 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.80 2dun h ARG 104 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2dun h ARG 104 CO 0.06 0.00 -0.82 0.45 -1.07 0.00 0.00 179.97 178.59 2dun h HIS 105 N 0.00 0.94 -2.43 3.04 3.86 -1.78 -3.45 115.15 115.33 2dun h HIS 105 Ca 0.10 -0.47 -0.55 0.00 -1.16 0.00 0.00 60.37 58.30 2dun h HIS 105 Cb 0.52 -0.12 0.05 0.00 1.06 0.00 0.00 27.41 28.91 2dun h HIS 105 CO 0.00 1.29 1.02 0.54 0.86 0.00 0.00 177.93 181.64 2dun n ARG 106 N -3.99 2.59 -3.56 2.45 1.74 -0.40 -3.28 116.66 112.20 2dun n ARG 106 Ca -0.09 0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 2dun n ARG 106 Cb 0.77 -2.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.35 2dun n ARG 106 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dun s LEU 107 N 2.10 5.84 0.05 0.55 1.43 -1.21 -4.99 118.68 122.44 2dun s LEU 107 Ca 0.81 -2.77 -0.03 0.00 -1.03 0.00 0.00 54.13 51.11 2dun s LEU 107 Cb -0.55 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2dun s LEU 107 CO 0.38 -0.46 0.02 -0.70 0.23 0.00 0.00 176.35 175.82 2dun s GLU 108 N 0.05 0.59 0.39 1.70 2.12 -1.16 -4.05 118.70 118.35 2dun s GLU 108 Ca 0.17 -1.01 0.07 0.00 0.36 0.00 0.00 54.97 54.56 2dun s GLU 108 Cb -0.17 0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.36 2dun s GLU 108 CO -0.05 -0.13 0.00 0.54 -0.54 0.00 0.00 175.26 175.08 2dun s VAL 109 N -3.30 1.92 -0.30 3.70 0.11 -1.26 -4.53 120.40 116.74 2dun s VAL 109 Ca 0.01 -2.02 -0.18 0.00 -2.93 0.00 0.00 61.98 56.86 2dun s VAL 109 Cb 0.03 -2.93 0.18 0.00 -1.53 0.00 0.00 36.38 32.14 2dun s VAL 109 CO -0.08 -0.03 1.16 0.00 -3.33 0.00 0.00 175.10 172.83 2dun s ALA 110 N -2.78 -3.03 -0.72 1.54 0.00 -1.26 -5.03 121.76 110.48 2dun s ALA 110 Ca 0.35 1.90 -0.01 0.00 0.00 0.00 0.00 51.96 54.20 2dun s ALA 110 Cb 0.09 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2dun s ALA 110 CO 0.17 -0.95 0.67 0.41 0.00 0.00 0.00 175.76 176.06 2dun n GLY 111 N 4.68 -1.06 3.59 0.00 0.00 -1.26 -5.02 105.19 106.13 2dun n GLY 111 Ca -0.08 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 2dun n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 112 N -3.34 -1.21 -0.07 1.61 0.04 -1.26 -5.04 135.00 125.72 2dun s PRO 112 Ca 0.11 -0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.03 2dun s PRO 112 Cb -0.01 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2dun s PRO 112 CO 0.65 -3.71 0.17 1.03 0.04 0.00 0.00 177.00 175.18 2dun s ARG 113 N -5.40 3.45 -0.00 4.56 1.81 -1.26 -5.11 118.95 117.00 2dun s ARG 113 Ca 0.71 -0.19 0.02 0.00 -1.72 0.00 0.00 55.73 54.55 2dun s ARG 113 Cb -0.10 -3.15 -0.00 0.00 -0.45 0.00 0.00 34.95 31.25 2dun s ARG 113 CO 0.56 0.73 -0.06 0.21 -0.68 0.00 0.00 175.30 176.06 2dun s LYS 114 N -1.41 0.49 -0.16 3.54 2.20 -1.26 -4.95 119.74 118.19 2dun s LYS 114 Ca 0.20 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.57 2dun s LYS 114 Cb -0.12 -0.47 0.00 0.00 -1.51 0.00 0.00 37.83 35.73 2dun s LYS 114 CO 0.10 0.13 0.18 0.41 -0.36 0.00 0.00 175.35 175.81 2dun n GLY 115 N 2.91 -0.69 1.79 5.54 0.00 -1.26 -5.06 105.19 108.41 2dun n GLY 115 Ca -0.13 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2dun n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dun n PRO 116 N -0.87 -2.12 -4.39 1.61 -0.04 -1.26 -5.08 135.00 122.85 2dun n PRO 116 Ca 0.01 -0.89 -0.25 0.00 -0.04 0.00 0.00 63.50 62.34 2dun n PRO 116 Cb 0.33 -0.84 -0.11 0.00 -0.04 0.00 0.00 33.50 32.84 2dun n PRO 116 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2dun s LEU 117 N 0.00 2.44 0.13 1.53 0.05 -1.26 -5.13 118.68 116.44 2dun s LEU 117 Ca 0.36 -0.87 -0.20 0.00 0.05 0.00 0.00 54.13 53.47 2dun s LEU 117 Cb -0.04 -1.02 -0.07 0.00 -2.05 0.00 0.00 46.19 43.01 2dun s LEU 117 CO 0.28 0.05 0.64 -0.44 -0.55 0.00 0.00 176.35 176.33 2dun s SER 118 N -2.72 7.10 -0.89 1.48 0.01 -1.26 -4.99 113.70 112.44 2dun s SER 118 Ca 0.19 1.35 -0.25 0.00 1.31 0.00 0.00 55.95 58.55 2dun s SER 118 Cb -0.07 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2dun s SER 118 CO 0.09 0.20 1.94 -2.16 0.41 0.00 0.00 173.24 173.72 2dun s PRO 119 N -1.38 2.56 -0.51 12.44 0.04 -1.26 -4.87 135.00 142.03 2dun s PRO 119 Ca 0.34 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.17 2dun s PRO 119 Cb -0.19 -5.03 0.15 0.00 0.04 0.00 0.00 34.50 29.47 2dun s PRO 119 CO 0.21 -3.34 0.33 0.00 0.04 0.00 0.00 177.00 174.24 2dun s ALA 120 N 10.01 2.47 0.48 8.56 0.00 -1.26 -5.11 121.76 136.92 2dun s ALA 120 Ca 0.70 -2.93 0.06 0.00 0.00 0.00 0.00 51.96 49.79 2dun s ALA 120 Cb -0.07 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 2dun s ALA 120 CO 0.00 -2.05 0.30 1.67 0.00 0.00 0.00 175.76 175.69 2dun s TRP 121 N -0.24 2.12 -0.03 0.00 1.48 -1.26 -5.14 118.94 115.87 2dun s TRP 121 Ca 0.23 -0.72 0.06 0.00 -1.06 0.00 0.00 56.10 54.62 2dun s TRP 121 Cb -0.12 -1.95 -0.02 0.00 -1.16 0.00 0.00 33.47 30.22 2dun s TRP 121 CO -0.09 -0.17 -0.21 -1.64 -4.06 0.00 0.00 176.95 170.78 2dun s MET 122 N -4.11 2.25 0.29 3.25 -1.94 -1.26 -5.14 119.30 112.64 2dun s MET 122 Ca 0.36 -0.85 -0.05 0.00 -1.71 0.00 0.00 55.69 53.45 2dun s MET 122 Cb -0.00 -2.18 0.07 0.00 2.01 0.00 0.00 34.83 34.73 2dun s MET 122 CO 0.21 0.58 0.26 -0.35 -0.01 0.00 0.00 175.02 175.71 2dun n PRO 123 N 2.34 -1.53 -0.09 2.03 -0.04 -1.26 -5.03 135.00 131.42 2dun n PRO 123 Ca -0.16 -0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 62.77 2dun n PRO 123 Cb 0.52 -0.39 -0.11 0.00 -0.04 0.00 0.00 33.50 33.48 2dun n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dun n ALA 124 N -3.44 1.57 -0.03 0.55 0.00 -1.26 -4.45 120.51 113.45 2dun n ALA 124 Ca -0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 2dun n ALA 124 Cb 0.14 -0.03 0.04 0.00 0.00 0.00 0.00 19.45 19.60 2dun n ALA 124 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2dun n TYR 125 N -2.88 0.94 -0.85 0.00 4.11 -1.26 -4.50 117.16 112.72 2dun n TYR 125 Ca -0.32 -1.14 -0.13 0.00 -0.00 0.00 0.00 57.90 56.31 2dun n TYR 125 Cb 0.96 -0.57 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 2dun n TYR 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2dun n ALA 126 N 0.27 5.02 -2.86 -3.48 0.00 -1.26 -4.84 120.51 113.36 2dun n ALA 126 Ca 0.18 -1.35 -0.13 0.00 0.00 0.00 0.00 53.44 52.15 2dun n ALA 126 Cb 0.75 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2dun n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun s SER 128 N -1.23 6.36 0.00 0.00 0.15 -1.26 -4.92 113.70 112.80 2dun s SER 128 Ca -0.08 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2dun s SER 128 Cb -0.08 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2dun s SER 128 CO 0.00 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2dun n GLY 129 N 2.29 -0.84 3.77 9.45 0.00 -1.26 -5.15 105.19 113.45 2dun n GLY 129 Ca -0.19 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2dun n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 130 N 0.00 3.84 0.36 1.61 0.04 -1.26 -5.05 135.00 134.54 2dun s PRO 130 Ca 0.00 1.81 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2dun s PRO 130 Cb 0.00 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 2dun s PRO 130 CO 0.00 -0.49 0.38 -1.12 0.04 0.00 0.00 177.00 175.82 2dun s SER 131 N -1.27 5.47 -0.23 6.66 0.01 -1.26 -5.11 113.70 117.97 2dun s SER 131 Ca 0.62 -0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 2dun s SER 131 Cb -0.30 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 2dun s SER 131 CO 0.36 -0.47 0.08 -0.55 0.41 0.00 0.00 173.24 173.07 2dun s SER 132 N -4.10 5.41 0.00 2.44 0.15 -1.26 -5.36 113.70 110.98 2dun s SER 132 Ca 0.45 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2dun s SER 132 Cb -0.07 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2dun s SER 132 CO 0.29 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.37