#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dun s SER 2 N 0.00 2.58 0.28 1.61 0.01 -1.26 -5.14 113.70 111.79 2dun s SER 2 Ca 0.00 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.63 2dun s SER 2 Cb 0.00 -0.48 -0.06 0.00 0.21 0.00 0.00 66.02 65.69 2dun s SER 2 CO 0.00 -0.30 0.04 -0.44 0.41 0.00 0.00 173.24 172.95 2dun s SER 3 N 1.95 2.04 -0.68 2.44 0.01 -1.26 -5.08 113.70 113.12 2dun s SER 3 Ca 0.01 -1.32 0.02 0.00 1.31 0.00 0.00 55.95 55.97 2dun s SER 3 Cb -0.16 -0.02 0.37 0.00 0.21 0.00 0.00 66.02 66.42 2dun s SER 3 CO -0.08 -0.58 1.46 0.61 0.41 0.00 0.00 173.24 175.06 2dun n GLY 4 N -0.56 5.81 3.06 3.44 0.00 -1.26 -4.98 105.19 110.71 2dun n GLY 4 Ca -0.03 -2.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.02 2dun n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dun s SER 5 N -2.45 2.91 -0.10 1.61 0.15 -1.26 -5.11 113.70 109.45 2dun s SER 5 Ca 0.48 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.57 2dun s SER 5 Cb 0.35 -1.32 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 2dun s SER 5 CO -0.24 -0.04 -0.13 -0.55 1.20 0.00 0.00 173.24 173.49 2dun s SER 6 N 1.40 2.19 -0.45 5.45 0.15 -1.26 -5.03 113.70 116.15 2dun s SER 6 Ca 0.05 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.39 2dun s SER 6 Cb -0.13 -0.96 0.30 0.00 -1.71 0.00 0.00 66.02 63.52 2dun s SER 6 CO -0.12 -0.01 1.11 0.61 1.20 0.00 0.00 173.24 176.03 2dun n GLY 7 N 4.25 0.13 3.16 9.45 0.00 -1.26 -5.11 105.19 115.82 2dun n GLY 7 Ca -0.19 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2dun n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dun s SER 8 N -1.20 4.93 0.07 1.61 0.01 -1.26 -5.10 113.70 112.76 2dun s SER 8 Ca 0.24 -1.39 -0.07 0.00 1.31 0.00 0.00 55.95 56.04 2dun s SER 8 Cb 0.27 -1.72 -0.05 0.00 0.21 0.00 0.00 66.02 64.73 2dun s SER 8 CO -0.11 -0.30 0.35 0.28 0.41 0.00 0.00 173.24 173.87 2dun s THR 9 N 1.23 5.19 0.22 1.44 -1.32 -1.26 -5.00 115.64 116.13 2dun s THR 9 Ca -0.03 0.25 -0.09 0.00 -1.21 0.00 0.00 61.69 60.61 2dun s THR 9 Cb -0.20 -3.61 0.18 0.00 -1.51 0.00 0.00 72.50 67.36 2dun s THR 9 CO -0.02 0.26 1.70 0.03 -2.21 0.00 0.00 174.62 174.38 2dun h ARG 10 N 3.60 0.25 -3.19 7.08 3.08 -1.94 -3.24 114.38 120.02 2dun h ARG 10 Ca -0.49 -0.02 -0.63 0.00 0.07 0.00 0.00 59.98 58.92 2dun h ARG 10 Cb 1.19 -0.06 -0.42 0.00 0.08 0.00 0.00 29.97 30.76 2dun h ARG 10 CO 0.68 0.17 -0.59 -0.06 -1.07 0.00 0.00 179.97 179.10 2dun s PHE 11 N -6.10 3.45 -1.44 3.04 0.08 -1.21 -4.91 117.98 110.89 2dun s PHE 11 Ca -0.13 -3.29 0.15 0.00 0.12 0.00 0.00 56.93 53.78 2dun s PHE 11 Cb 0.19 -2.75 0.75 0.00 -0.57 0.00 0.00 43.02 40.64 2dun s PHE 11 CO 0.74 -0.61 1.41 -0.35 -0.10 0.00 0.00 175.22 176.31 2dun n PRO 12 N 2.35 0.21 -1.09 0.24 -0.04 -1.23 -2.73 135.00 132.72 2dun n PRO 12 Ca 0.15 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 2dun n PRO 12 Cb 0.34 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.02 4.72 2.87 0.55 0.00 -1.26 -4.86 105.19 107.19 2dun n GLY 13 Ca 0.07 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.35 -0.49 -0.28 1.61 1.01 -1.10 -5.11 120.40 112.69 2dun s VAL 14 Ca 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2dun s VAL 14 Cb 0.45 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2dun s VAL 14 CO 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.01 2dun s ALA 15 N 2.46 2.77 -0.15 5.51 0.00 -1.26 -3.60 121.76 127.49 2dun s ALA 15 Ca 0.09 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 2dun s ALA 15 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2dun s ALA 15 CO -0.14 -1.10 0.12 0.42 0.00 0.00 0.00 175.76 175.06 2dun s ILE 16 N 1.28 5.31 -0.10 0.00 1.01 -1.02 -0.54 121.20 127.15 2dun s ILE 16 Ca -0.03 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2dun s ILE 16 Cb -0.19 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 2dun s ILE 16 CO -0.02 0.54 -0.21 -0.47 0.00 0.00 0.00 174.94 174.78 2dun s TYR 17 N -0.41 2.60 -0.10 3.97 6.14 -1.02 -2.70 117.35 125.83 2dun s TYR 17 Ca 0.11 -0.85 -0.11 0.00 0.64 0.00 0.00 57.07 56.86 2dun s TYR 17 Cb -0.12 -1.71 -0.05 0.00 0.42 0.00 0.00 41.96 40.50 2dun s TYR 17 CO 0.01 -0.30 0.26 -0.51 0.64 0.00 0.00 175.55 175.65 2dun s LEU 18 N 0.19 4.37 0.68 6.97 1.43 -1.26 -2.82 118.68 128.24 2dun s LEU 18 Ca -0.13 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 2dun s LEU 18 Cb -0.16 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2dun s LEU 18 CO 0.07 0.30 1.06 -0.69 0.23 0.00 0.00 176.35 177.32 2dun s VAL 19 N -0.60 3.85 -0.01 -1.59 1.01 -1.26 -5.03 120.40 116.78 2dun s VAL 19 Ca 0.17 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 2dun s VAL 19 Cb -0.14 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2dun s VAL 19 CO 0.06 -0.71 -0.01 -0.33 0.00 0.00 0.00 175.10 174.11 2dun h GLU 20 N -0.42 0.00 0.10 2.72 5.08 -1.96 -3.33 114.58 116.77 2dun h GLU 20 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2dun h GLU 20 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2dun h GLU 20 CO 0.56 0.00 -0.05 -1.00 -1.00 0.00 0.00 179.01 177.52 2dun h PRO 21 N -0.11 -0.13 -0.22 2.33 0.13 -1.96 0.87 132.00 132.91 2dun h PRO 21 Ca 0.00 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2dun h PRO 21 Cb 0.04 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.13 2dun h PRO 21 CO 0.00 0.31 -0.21 0.00 -0.23 0.00 0.00 178.00 177.86 2dun h ARG 22 N -0.62 -0.22 0.06 0.86 2.47 -1.95 -3.23 114.38 111.75 2dun h ARG 22 Ca -0.01 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2dun h ARG 22 Cb 0.50 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2dun h ARG 22 CO 0.02 -0.15 -0.03 1.98 0.56 0.00 0.00 179.97 182.36 2dun h MET 23 N -0.23 -0.08 0.00 0.04 4.05 -1.67 -3.43 114.93 113.62 2dun h MET 23 Ca 0.13 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2dun h MET 23 Cb 0.42 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2dun h MET 23 CO -0.35 0.06 0.00 0.41 0.23 0.00 0.00 176.91 177.26 2dun n GLY 24 N 1.52 0.98 0.07 1.39 0.00 0.30 -4.75 105.19 104.69 2dun n GLY 24 Ca -0.02 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 2dun n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dun h ARG 25 N 6.97 0.00 0.20 1.61 -0.00 -1.92 -3.35 114.38 117.89 2dun h ARG 25 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2dun h ARG 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 2dun h ARG 25 CO 0.00 0.26 -0.09 0.77 0.00 0.00 0.00 179.97 180.90 2dun h SER 26 N -1.00 -0.22 -0.83 7.04 0.02 -1.95 -3.25 113.55 113.35 2dun h SER 26 Ca -0.04 -0.29 0.34 0.00 -0.84 0.00 0.00 61.79 60.95 2dun h SER 26 Cb 0.47 0.06 -0.15 0.00 0.14 0.00 0.00 62.40 62.92 2dun h SER 26 CO -0.03 0.31 0.40 -1.14 -1.14 0.00 0.00 176.83 175.24 2dun n ARG 27 N -4.95 -0.05 0.06 3.45 3.00 -1.26 -0.17 116.66 116.73 2dun n ARG 27 Ca -0.07 1.15 -0.12 0.00 -0.00 0.00 0.00 57.85 58.81 2dun n ARG 27 Cb 0.25 -2.05 -0.07 0.00 0.00 0.00 0.00 32.46 30.59 2dun n ARG 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dun h ARG 28 N 0.00 -0.50 -0.65 -0.14 3.08 -1.69 -2.30 114.38 112.18 2dun h ARG 28 Ca 0.68 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.90 2dun h ARG 28 Cb 1.78 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.82 2dun h ARG 28 CO -0.65 -0.33 -0.21 0.00 -1.07 0.00 0.00 179.97 177.70 2dun h ALA 29 N -0.74 0.33 -0.07 0.04 0.00 -0.71 0.23 119.26 118.34 2dun h ALA 29 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dun h ALA 29 Cb 0.55 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dun h ALA 29 CO -0.25 -0.48 -0.04 0.34 0.00 0.00 0.00 179.25 178.82 2dun n PHE 30 N -5.45 -0.03 -0.11 0.00 -0.00 -0.88 -1.11 117.46 109.87 2dun n PHE 30 Ca 0.08 0.09 -0.09 0.00 -0.00 0.00 0.00 57.45 57.52 2dun n PHE 30 Cb 0.35 -0.48 -0.02 0.00 -0.00 0.00 0.00 39.48 39.34 2dun n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dun h LEU 31 N 0.00 0.47 -0.90 -2.13 3.38 -1.29 -2.58 115.31 112.26 2dun h LEU 31 Ca 0.01 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 57.97 2dun h LEU 31 Cb 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.51 2dun h LEU 31 CO -0.07 0.50 -0.33 0.41 0.09 0.00 0.00 178.44 179.04 2dun n THR 32 N -4.71 -0.46 -0.06 0.22 -1.04 0.76 -0.00 114.28 108.99 2dun n THR 32 Ca -0.01 2.09 -0.15 0.00 -2.04 0.00 0.00 64.05 63.94 2dun n THR 32 Cb 0.13 -2.78 -0.06 0.00 -1.82 0.00 0.00 70.33 65.80 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 0.83 0.58 3.41 0.00 -1.03 -2.96 103.07 103.91 2dun h GLY 33 Ca 0.33 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 2dun h GLY 33 CO -0.89 0.91 -0.48 -2.00 0.00 0.00 0.00 176.54 174.08 2dun h LEU 34 N 0.49 -1.28 -0.11 3.11 5.85 -0.01 -2.07 115.31 121.29 2dun h LEU 34 Ca -0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2dun h LEU 34 Cb 1.14 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 42.51 2dun h LEU 34 CO 0.12 -0.67 -0.50 0.00 -0.34 0.00 0.00 178.44 177.05 2dun h ALA 35 N -1.05 -0.79 -0.98 1.25 0.00 -0.55 -0.23 119.26 116.91 2dun h ALA 35 Ca -0.08 -0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.12 2dun h ALA 35 Cb 0.87 0.92 -0.16 0.00 0.00 0.00 0.00 17.79 19.42 2dun h ALA 35 CO -0.00 -1.04 0.49 0.00 0.00 0.00 0.00 179.25 178.71 2dun h ARG 36 N -0.57 0.22 -0.35 0.00 3.08 -1.45 0.94 114.38 116.25 2dun h ARG 36 Ca 0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 2dun h ARG 36 Cb 0.67 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2dun h ARG 36 CO -0.41 0.15 -0.26 1.03 -1.07 0.00 0.00 179.97 179.40 2dun h SER 37 N 0.23 0.73 0.65 7.04 0.87 -0.35 -3.28 113.55 119.44 2dun h SER 37 Ca 0.73 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.98 2dun h SER 37 Cb 1.69 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2dun h SER 37 CO -0.66 0.96 -0.31 0.11 -0.53 0.00 0.00 176.83 176.39 2dun h LYS 38 N 0.62 -0.84 0.00 2.24 1.79 0.19 -3.48 116.57 117.09 2dun h LYS 38 Ca 0.08 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2dun h LYS 38 Cb 0.76 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2dun h LYS 38 CO 0.06 -0.56 0.00 0.41 -1.08 0.00 0.00 179.45 178.28 2dun n GLY 39 N -0.46 0.00 3.36 3.86 0.00 -0.18 -4.96 105.19 106.81 2dun n GLY 39 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 2.32 -0.39 1.61 0.08 -1.16 -3.31 117.98 117.14 2dun s PHE 40 Ca 0.00 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.45 2dun s PHE 40 Cb 0.00 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 2dun s PHE 40 CO 0.00 0.18 0.61 0.50 -0.10 0.00 0.00 175.22 176.41 2dun s ARG 41 N -1.46 3.50 -0.11 0.44 3.52 -1.24 -3.83 118.95 119.78 2dun s ARG 41 Ca 0.12 -0.17 -0.20 0.00 -0.13 0.00 0.00 55.73 55.35 2dun s ARG 41 Cb -0.10 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 2dun s ARG 41 CO 0.03 -0.83 0.58 0.08 -0.81 0.00 0.00 175.30 174.35 2dun s VAL 42 N 2.68 5.12 -0.02 7.11 1.01 -1.26 -2.44 120.40 132.60 2dun s VAL 42 Ca 0.22 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.29 2dun s VAL 42 Cb -0.15 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2dun s VAL 42 CO 0.16 0.28 0.27 -0.76 0.00 0.00 0.00 175.10 175.05 2dun s LEU 43 N 0.82 4.39 -0.09 3.92 1.43 -1.10 -5.01 118.68 123.04 2dun s LEU 43 Ca 0.31 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 2dun s LEU 43 Cb -0.16 -2.55 -0.24 0.00 0.03 0.00 0.00 46.19 43.27 2dun s LEU 43 CO 0.13 0.29 0.48 -0.67 0.23 0.00 0.00 176.35 176.81 2dun n ASP 44 N 1.41 1.41 -4.24 2.29 -0.08 -1.26 -4.59 116.55 111.49 2dun n ASP 44 Ca -0.13 0.29 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 2dun n ASP 44 Cb 0.53 -0.37 -0.10 0.00 2.34 0.00 0.00 41.12 43.52 2dun n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dun s ALA 45 N -2.57 1.32 -0.56 -1.67 0.00 -1.26 -5.07 121.76 111.95 2dun s ALA 45 Ca -0.14 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 49.89 2dun s ALA 45 Cb 0.07 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.11 2dun s ALA 45 CO 0.79 -0.45 1.85 0.00 0.00 0.00 0.00 175.76 177.95 2dun n SER 47 N 12.30 4.67 -3.67 0.00 7.64 -1.26 -4.92 113.62 128.38 2dun n SER 47 Ca 0.21 -3.69 -0.26 0.00 1.01 0.00 0.00 58.87 56.14 2dun n SER 47 Cb 0.51 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 2dun n SER 47 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dun n SER 48 N -0.54 -2.08 0.00 6.43 3.41 -1.26 -4.71 113.62 114.87 2dun n SER 48 Ca 0.40 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2dun n SER 48 Cb 0.76 -1.81 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2dun n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dun n GLU 49 N -3.55 1.77 -1.44 4.33 1.02 -1.26 -5.00 120.64 116.51 2dun n GLU 49 Ca 0.05 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.73 2dun n GLU 49 Cb 0.49 -0.98 -0.11 0.00 -0.02 0.00 0.00 31.44 30.82 2dun n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dun n ALA 50 N -2.22 0.52 -0.04 0.62 0.00 -1.26 -4.41 120.51 113.72 2dun n ALA 50 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.22 2dun n ALA 50 Cb 0.48 -2.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 2dun n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dun n THR 51 N 7.31 0.52 -3.69 0.00 -2.24 0.30 -4.52 114.28 111.97 2dun n THR 51 Ca 0.54 -0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 2dun n THR 51 Cb 0.14 -0.18 -0.18 0.00 -2.10 0.00 0.00 70.33 68.01 2dun n THR 51 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2dun s HIS 52 N -3.01 0.27 -0.12 4.78 3.76 -1.11 -2.87 115.29 116.98 2dun s HIS 52 Ca -0.08 0.05 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 2dun s HIS 52 Cb 0.10 -0.60 -0.05 0.00 1.11 0.00 0.00 32.58 33.14 2dun s HIS 52 CO 0.81 -0.27 0.35 0.08 -0.85 0.00 0.00 174.74 174.86 2dun s VAL 53 N 2.10 5.24 -0.30 -0.90 1.01 -0.43 -2.44 120.40 124.69 2dun s VAL 53 Ca 0.05 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 2dun s VAL 53 Cb -0.13 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2dun s VAL 53 CO -0.04 0.41 0.17 -0.69 0.00 0.00 0.00 175.10 174.95 2dun s VAL 54 N 0.19 4.91 -0.06 2.92 1.01 -1.13 -1.55 120.40 126.69 2dun s VAL 54 Ca 0.20 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2dun s VAL 54 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2dun s VAL 54 CO 0.07 0.13 -0.15 -0.04 0.00 0.00 0.00 175.10 175.11 2dun s MET 55 N 1.68 1.81 -0.03 2.72 -1.94 -1.00 -4.06 119.30 118.48 2dun s MET 55 Ca 0.06 -0.53 0.07 0.00 -1.71 0.00 0.00 55.69 53.58 2dun s MET 55 Cb -0.17 -1.51 -0.02 0.00 2.01 0.00 0.00 34.83 35.14 2dun s MET 55 CO 0.08 0.13 -0.25 -2.00 -0.01 0.00 0.00 175.02 172.97 2dun s GLU 56 N 0.35 2.22 -1.15 2.03 2.56 -1.26 0.06 118.70 123.51 2dun s GLU 56 Ca -0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 54.97 53.94 2dun s GLU 56 Cb -0.14 -2.08 -0.02 0.00 2.00 0.00 0.00 34.13 33.89 2dun s GLU 56 CO 0.03 0.53 0.97 0.39 -0.56 0.00 0.00 175.26 176.63 2dun n GLU 57 N 2.53 -5.47 -3.90 4.30 1.02 -1.26 -4.76 120.64 113.10 2dun n GLU 57 Ca -0.16 0.85 -0.11 0.00 -0.02 0.00 0.00 57.16 57.71 2dun n GLU 57 Cb 0.51 -5.84 -0.13 0.00 -0.02 0.00 0.00 31.44 25.97 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 -3.36 0.04 0.94 2.62 2.01 -1.26 -5.10 115.64 111.52 2dun s THR 58 Ca 0.12 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 2dun s THR 58 Cb -0.02 -0.10 0.16 0.00 0.01 0.00 0.00 72.50 72.55 2dun s THR 58 CO 0.73 -0.16 1.17 -0.44 -0.69 0.00 0.00 174.62 175.22 2dun s SER 59 N -0.47 3.22 0.11 3.53 0.01 -1.26 -4.92 113.70 113.93 2dun s SER 59 Ca -0.05 0.79 -0.15 0.00 1.31 0.00 0.00 55.95 57.85 2dun s SER 59 Cb -0.03 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.93 2dun s SER 59 CO -0.00 -2.71 1.51 0.00 0.41 0.00 0.00 173.24 172.45 2dun h ALA 60 N -1.61 0.49 -0.02 1.44 0.00 -1.96 -2.97 119.26 114.63 2dun h ALA 60 Ca -0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.07 2dun h ALA 60 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dun h ALA 60 CO 0.55 0.36 -0.18 1.05 0.00 0.00 0.00 179.25 181.03 2dun h GLU 61 N 0.49 0.15 -0.83 0.00 4.11 -1.94 -3.00 114.58 113.56 2dun h GLU 61 Ca 0.09 -0.14 0.18 0.00 0.07 0.00 0.00 59.36 59.56 2dun h GLU 61 Cb 0.62 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.75 2dun h GLU 61 CO 0.04 0.84 -0.12 0.93 0.07 0.00 0.00 179.01 180.77 2dun h GLU 62 N -0.49 0.03 -0.42 1.06 4.39 -1.95 0.99 114.58 118.19 2dun h GLU 62 Ca -0.02 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.77 2dun h GLU 62 Cb 0.89 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.44 2dun h GLU 62 CO 0.04 0.02 -0.20 0.00 -1.16 0.00 0.00 179.01 177.70 2dun h ALA 63 N 1.81 0.10 -0.91 3.43 0.00 -1.60 -0.28 119.26 121.83 2dun h ALA 63 Ca 0.43 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.64 2dun h ALA 63 Cb 0.72 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 2dun h ALA 63 CO -0.81 -0.56 0.50 0.28 0.00 0.00 0.00 179.25 178.66 2dun h VAL 64 N -0.12 0.74 0.32 0.00 2.07 -0.91 -1.62 116.25 116.72 2dun h VAL 64 Ca 0.20 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2dun h VAL 64 Cb 0.44 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2dun h VAL 64 CO -0.50 0.13 -0.37 -1.28 0.02 0.00 0.00 177.57 175.57 2dun h SER 65 N 0.70 -1.01 -0.56 0.57 0.87 -0.67 -1.63 113.55 111.82 2dun h SER 65 Ca 0.50 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 61.25 2dun h SER 65 Cb 0.70 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 2dun h SER 65 CO -0.36 -0.50 0.38 -0.25 -0.53 0.00 0.00 176.83 175.57 2dun h TRP 66 N -0.72 0.37 -0.57 2.24 7.01 -1.04 -0.66 115.95 122.57 2dun h TRP 66 Ca -0.02 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2dun h TRP 66 Cb 0.67 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.58 2dun h TRP 66 CO -0.23 0.18 0.13 0.37 -2.79 0.00 0.00 178.44 176.09 2dun h GLN 67 N 0.35 0.89 -0.88 2.65 5.75 -0.43 -2.74 115.11 120.70 2dun h GLN 67 Ca 0.26 -0.19 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2dun h GLN 67 Cb 0.55 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 28.91 2dun h GLN 67 CO -0.06 0.80 0.54 0.93 -2.65 0.00 0.00 178.83 178.39 2dun h GLU 68 N 0.85 0.91 -0.93 1.69 4.39 -0.28 -1.74 114.58 119.46 2dun h GLU 68 Ca 0.18 -0.05 0.25 0.00 0.34 0.00 0.00 59.36 60.08 2dun h GLU 68 Cb 0.32 -0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 28.64 2dun h GLU 68 CO 0.00 0.60 0.43 0.00 -1.16 0.00 0.00 179.01 178.88 2dun h ARG 69 N 0.93 0.36 0.72 2.33 2.47 -1.48 -1.80 114.38 117.92 2dun h ARG 69 Ca 0.40 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.07 2dun h ARG 69 Cb 0.27 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2dun h ARG 69 CO -0.21 0.24 -0.35 0.00 0.56 0.00 0.00 179.97 180.21 2dun h ARG 70 N 0.37 -0.94 -1.57 0.04 2.47 -1.43 -2.11 114.38 111.22 2dun h ARG 70 Ca 0.61 0.06 0.47 0.00 -1.26 0.00 0.00 59.98 59.87 2dun h ARG 70 Cb 1.23 0.21 -0.09 0.00 -1.65 0.00 0.00 29.97 29.67 2dun h ARG 70 CO -0.56 -0.62 1.08 0.52 0.56 0.00 0.00 179.97 180.95 2dun h MET 71 N -1.03 0.04 -0.04 0.04 2.86 -1.34 1.71 114.93 117.18 2dun h MET 71 Ca -0.10 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2dun h MET 71 Cb 0.74 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2dun h MET 71 CO 0.16 0.03 -0.09 0.00 1.06 0.00 0.00 176.91 178.07 2dun h ALA 72 N 1.33 0.06 -0.70 6.32 0.00 -1.06 -3.27 119.26 121.93 2dun h ALA 72 Ca 0.83 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 55.10 2dun h ALA 72 Cb 3.00 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 20.61 2dun h ALA 72 CO -0.18 -0.07 0.31 0.00 0.00 0.00 0.00 179.25 179.30 2dun n ALA 73 N -2.43 4.76 -2.86 0.00 0.00 0.19 -4.98 120.51 115.18 2dun n ALA 73 Ca -0.08 -2.73 -0.28 0.00 0.00 0.00 0.00 53.44 50.35 2dun n ALA 73 Cb 0.36 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.15 3.92 0.94 0.00 0.00 0.53 -4.97 121.76 119.03 2dun s ALA 74 Ca 0.52 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 2dun s ALA 74 Cb 0.44 -1.89 0.15 0.00 0.00 0.00 0.00 23.12 21.82 2dun s ALA 74 CO 0.09 0.60 1.09 -1.25 0.00 0.00 0.00 175.76 176.29 2dun s PRO 75 N -3.02 0.93 0.12 0.00 0.04 -1.26 -4.96 135.00 126.85 2dun s PRO 75 Ca 0.36 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 2dun s PRO 75 Cb -0.12 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2dun s PRO 75 CO 0.28 -2.44 1.35 -1.25 0.04 0.00 0.00 177.00 174.99 2dun s PRO 76 N -4.94 4.34 -0.29 0.56 0.04 -1.26 -2.79 135.00 130.66 2dun s PRO 76 Ca 0.64 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2dun s PRO 76 Cb -0.18 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2dun s PRO 76 CO 0.57 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.63 2dun n GLY 77 N 3.30 0.57 3.77 0.56 0.00 -1.26 -5.02 105.19 107.11 2dun n GLY 77 Ca 0.10 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.58 3.43 -0.06 0.00 2.01 -1.26 -5.08 115.64 112.10 2dun s THR 79 Ca 0.64 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2dun s THR 79 Cb -0.19 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 2dun s THR 79 CO 0.47 0.54 1.49 -2.16 -0.69 0.00 0.00 174.62 174.27 2dun s PRO 80 N 0.02 4.22 1.07 4.92 0.04 -1.26 -5.01 135.00 138.99 2dun s PRO 80 Ca -0.02 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 2dun s PRO 80 Cb -0.14 -3.80 0.22 0.00 0.04 0.00 0.00 34.50 30.82 2dun s PRO 80 CO 0.04 -0.73 1.10 -1.25 0.04 0.00 0.00 177.00 176.19 2dun s PRO 81 N 3.38 -0.13 -0.46 0.56 0.04 -1.26 -4.99 135.00 132.14 2dun s PRO 81 Ca 0.66 0.33 -0.20 0.00 0.04 0.00 0.00 61.00 61.83 2dun s PRO 81 Cb -0.30 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2dun s PRO 81 CO 0.25 -3.07 0.64 0.00 0.04 0.00 0.00 177.00 174.87 2dun s ALA 82 N -2.98 3.35 -0.70 8.56 0.00 -1.14 -4.97 121.76 123.89 2dun s ALA 82 Ca 0.67 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 2dun s ALA 82 Cb -0.16 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2dun s ALA 82 CO 0.57 -1.88 1.83 -0.51 0.00 0.00 0.00 175.76 175.78 2dun s LEU 83 N 2.80 3.26 0.43 0.00 1.43 -1.26 -1.31 118.68 124.02 2dun s LEU 83 Ca 0.20 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2dun s LEU 83 Cb -0.16 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 2dun s LEU 83 CO 0.17 -2.41 0.30 -0.76 0.23 0.00 0.00 176.35 173.88 2dun s LEU 84 N 9.01 3.23 0.26 1.79 1.43 -0.60 0.18 118.68 133.97 2dun s LEU 84 Ca 0.65 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2dun s LEU 84 Cb -0.11 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2dun s LEU 84 CO 0.15 -0.65 0.05 -0.62 0.23 0.00 0.00 176.35 175.51 2dun s ASP 85 N -4.06 4.84 0.45 2.29 2.15 -1.06 -2.39 116.67 118.90 2dun s ASP 85 Ca 0.44 -0.52 0.29 0.00 0.43 0.00 0.00 52.55 53.19 2dun s ASP 85 Cb -0.00 -1.02 1.36 0.00 -0.30 0.00 0.00 42.92 42.96 2dun s ASP 85 CO 0.25 -0.00 1.71 -0.29 -0.17 0.00 0.00 175.17 176.67 2dun h ILE 86 N 1.81 0.32 -1.10 4.11 6.09 -0.70 0.26 117.51 128.30 2dun h ILE 86 Ca -0.46 -0.06 0.32 0.00 -1.37 0.00 0.00 64.86 63.29 2dun h ILE 86 Cb 1.24 0.13 -0.12 0.00 0.47 0.00 0.00 36.82 38.55 2dun h ILE 86 CO 0.60 0.03 0.69 -1.28 -3.07 0.00 0.00 178.15 175.13 2dun h SER 87 N 0.18 0.43 -0.34 2.19 0.87 -1.95 0.54 113.55 115.47 2dun h SER 87 Ca 0.69 0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 61.22 2dun h SER 87 Cb 2.20 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 64.22 2dun h SER 87 CO -0.25 -0.03 -0.39 -0.25 -0.53 0.00 0.00 176.83 175.38 2dun h TRP 88 N 0.32 1.04 0.41 2.24 7.01 -0.84 -2.89 115.95 123.23 2dun h TRP 88 Ca 0.69 -0.33 -0.02 0.00 2.11 0.00 0.00 58.89 61.34 2dun h TRP 88 Cb 1.79 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.65 2dun h TRP 88 CO -0.01 1.13 -0.20 1.25 -2.79 0.00 0.00 178.44 177.83 2dun h LEU 89 N 0.65 -0.47 -1.87 0.65 5.85 -0.18 -1.60 115.31 118.34 2dun h LEU 89 Ca 0.05 -0.10 0.30 0.00 0.84 0.00 0.00 57.88 58.96 2dun h LEU 89 Cb 0.98 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2dun h LEU 89 CO 0.09 -0.05 0.83 0.71 -0.34 0.00 0.00 178.44 179.68 2dun h THR 90 N -1.01 0.34 0.11 1.05 1.35 -0.75 0.65 112.91 114.64 2dun h THR 90 Ca -0.06 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.51 2dun h THR 90 Cb 0.54 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 2dun h THR 90 CO 0.09 0.00 -1.47 -0.33 -0.25 0.00 0.00 175.52 173.56 2dun h GLU 91 N 0.00 0.23 -0.17 4.72 5.08 -1.42 -3.10 114.58 119.92 2dun h GLU 91 Ca 0.48 -0.40 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2dun h GLU 91 Cb 2.14 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.53 2dun h GLU 91 CO -0.01 1.10 -0.56 0.77 -1.00 0.00 0.00 179.01 179.32 2dun h SER 92 N 0.06 0.58 0.30 1.42 0.02 0.12 -2.73 113.55 113.32 2dun h SER 92 Ca -0.22 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 2dun h SER 92 Cb 2.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2dun h SER 92 CO 0.16 1.02 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.66 2dun h LEU 93 N 0.40 -0.34 -0.65 5.07 3.38 -0.87 0.82 115.31 123.11 2dun h LEU 93 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2dun h LEU 93 Cb 1.10 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2dun h LEU 93 CO 0.10 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2dun n GLY 94 N -0.20 -0.80 0.01 0.83 0.00 -1.17 -1.25 105.19 102.60 2dun n GLY 94 Ca -0.09 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2dun n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dun n ALA 95 N -1.64 2.74 0.00 4.61 0.00 -1.03 -4.98 120.51 120.21 2dun n ALA 95 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2dun n ALA 95 Cb 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.39 2.88 3.17 0.00 0.00 0.26 -4.97 105.19 107.92 2dun n GLY 96 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.07 0.82 -0.39 1.61 -2.07 -1.09 -4.64 119.66 113.83 2dun s GLN 97 Ca 0.00 -1.03 -0.28 0.00 -1.82 0.00 0.00 55.36 52.23 2dun s GLN 97 Cb 0.00 -0.70 -0.01 0.00 -1.09 0.00 0.00 33.01 31.21 2dun s GLN 97 CO 0.00 0.14 1.73 -1.25 -1.32 0.00 0.00 175.29 174.59 2dun s PRO 98 N -2.14 3.27 0.54 9.60 0.04 -1.26 -4.48 135.00 140.57 2dun s PRO 98 Ca 0.01 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 2dun s PRO 98 Cb -0.07 -4.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 2dun s PRO 98 CO 0.02 -1.94 1.11 0.14 0.04 0.00 0.00 177.00 176.37 2dun s VAL 99 N 6.94 3.27 -0.85 -0.36 -7.23 -1.26 -4.92 120.40 115.99 2dun s VAL 99 Ca 0.74 0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 61.44 2dun s VAL 99 Cb -0.19 -3.31 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2dun s VAL 99 CO 0.31 -0.18 1.93 -2.16 -0.31 0.00 0.00 175.10 174.69 2dun s PRO 100 N -3.32 2.58 0.21 4.82 0.04 -1.26 -4.93 135.00 133.13 2dun s PRO 100 Ca 0.72 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 2dun s PRO 100 Cb -0.22 -4.93 -0.12 0.00 0.04 0.00 0.00 34.50 29.26 2dun s PRO 100 CO 0.27 -3.25 0.27 1.55 0.04 0.00 0.00 177.00 175.88 2dun n VAL 101 N 7.74 1.13 -4.40 -0.36 3.14 -1.26 -4.97 118.33 119.36 2dun n VAL 101 Ca 0.36 -0.38 -0.27 0.00 -2.96 0.00 0.00 64.34 61.09 2dun n VAL 101 Cb 0.48 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.17 2dun n VAL 101 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2dun s GLU 102 N -0.75 2.11 0.65 1.45 2.02 -1.26 -5.01 118.70 117.91 2dun s GLU 102 Ca 0.47 -2.03 0.43 0.00 0.02 0.00 0.00 54.97 53.86 2dun s GLU 102 Cb -0.62 -1.79 2.29 0.00 0.10 0.00 0.00 34.13 34.11 2dun s GLU 102 CO 0.44 -0.14 2.33 0.00 0.02 0.00 0.00 175.26 177.91 2dun h ARG 104 N 0.00 0.49 -0.51 0.00 3.08 -2.01 -3.32 114.38 112.12 2dun h ARG 104 Ca -0.00 -0.76 -0.05 0.00 0.07 0.00 0.00 59.98 59.24 2dun h ARG 104 Cb 0.05 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2dun h ARG 104 CO 0.00 1.35 0.13 0.45 -1.07 0.00 0.00 179.97 180.84 2dun h HIS 105 N 0.02 0.84 -3.36 3.04 3.86 -1.75 -3.44 115.15 114.36 2dun h HIS 105 Ca -0.20 -0.10 -0.54 0.00 -1.16 0.00 0.00 60.37 58.38 2dun h HIS 105 Cb 1.90 -0.24 0.21 0.00 1.06 0.00 0.00 27.41 30.34 2dun h HIS 105 CO 0.15 0.74 -0.56 0.54 0.86 0.00 0.00 177.93 179.65 2dun n ARG 106 N -4.46 -0.19 -4.94 2.45 1.74 -0.96 -2.58 116.66 107.73 2dun n ARG 106 Ca 0.02 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2dun n ARG 106 Cb 0.21 -1.84 -0.17 0.00 -1.02 0.00 0.00 32.46 29.65 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 -0.81 2.08 -0.21 0.55 1.43 0.47 -4.83 118.68 117.36 2dun s LEU 107 Ca 0.58 -0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 2dun s LEU 107 Cb -0.23 -1.40 0.15 0.00 0.03 0.00 0.00 46.19 44.74 2dun s LEU 107 CO 0.66 0.12 1.18 -0.70 0.23 0.00 0.00 176.35 177.84 2dun s GLU 108 N 0.58 0.33 0.32 1.70 2.12 -1.13 -4.77 118.70 117.84 2dun s GLU 108 Ca -0.13 0.01 0.11 0.00 0.36 0.00 0.00 54.97 55.31 2dun s GLU 108 Cb -0.17 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.32 2dun s GLU 108 CO 0.04 -0.12 -0.14 0.54 -0.54 0.00 0.00 175.26 175.04 2dun s VAL 109 N -1.51 2.34 -0.29 3.70 0.11 -1.26 -4.53 120.40 118.96 2dun s VAL 109 Ca 0.05 -2.30 -0.16 0.00 -2.93 0.00 0.00 61.98 56.65 2dun s VAL 109 Cb -0.01 -2.49 0.15 0.00 -1.53 0.00 0.00 36.38 32.50 2dun s VAL 109 CO -0.04 -0.29 0.99 0.00 -3.33 0.00 0.00 175.10 172.43 2dun s ALA 110 N -2.57 -2.37 -1.04 1.54 0.00 -1.26 -5.00 121.76 111.06 2dun s ALA 110 Ca 0.31 2.17 -0.02 0.00 0.00 0.00 0.00 51.96 54.42 2dun s ALA 110 Cb -0.01 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2dun s ALA 110 CO 0.16 -0.46 0.88 0.41 0.00 0.00 0.00 175.76 176.76 2dun n GLY 111 N 3.91 -0.61 3.69 0.00 0.00 -1.26 -4.93 105.19 105.99 2dun n GLY 111 Ca -0.17 0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.81 4.27 0.22 1.61 0.04 -1.26 -5.02 135.00 130.05 2dun s PRO 112 Ca 0.19 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.29 2dun s PRO 112 Cb -0.02 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 2dun s PRO 112 CO 0.67 -0.59 -0.02 -0.98 0.04 0.00 0.00 177.00 176.12 2dun s ARG 113 N 2.39 1.30 -0.04 4.56 1.70 -1.26 -5.16 118.95 122.44 2dun s ARG 113 Ca 0.65 -1.64 -0.00 0.00 -0.47 0.00 0.00 55.73 54.27 2dun s ARG 113 Cb -0.33 -0.64 -0.03 0.00 -0.57 0.00 0.00 34.95 33.38 2dun s ARG 113 CO 0.27 -0.06 -0.00 0.21 -1.08 0.00 0.00 175.30 174.64 2dun s LYS 114 N -3.84 2.87 0.00 3.89 2.47 -1.26 -5.01 119.74 118.87 2dun s LYS 114 Ca 0.27 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 54.16 2dun s LYS 114 Cb 0.05 -2.72 0.00 0.00 -1.46 0.00 0.00 37.83 33.70 2dun s LYS 114 CO 0.08 0.66 0.00 0.41 0.16 0.00 0.00 175.35 176.66 2dun n GLY 115 N 1.80 0.18 3.65 5.54 0.00 -1.26 -5.06 105.19 110.03 2dun n GLY 115 Ca -0.17 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 2dun n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 116 N 0.00 -0.19 0.39 1.61 0.04 -1.26 -5.08 135.00 130.51 2dun s PRO 116 Ca 0.00 0.30 0.08 0.00 0.04 0.00 0.00 61.00 61.42 2dun s PRO 116 Cb 0.00 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 2dun s PRO 116 CO 0.00 -3.10 0.27 -0.48 0.04 0.00 0.00 177.00 173.73 2dun s LEU 117 N -6.64 3.32 0.10 -3.56 2.34 -1.26 -5.08 118.68 107.90 2dun s LEU 117 Ca 0.67 -0.81 0.02 0.00 0.06 0.00 0.00 54.13 54.08 2dun s LEU 117 Cb -0.16 -1.86 -0.04 0.00 -0.56 0.00 0.00 46.19 43.58 2dun s LEU 117 CO 0.57 -0.52 0.17 -0.44 -1.06 0.00 0.00 176.35 175.07 2dun s SER 118 N -4.00 5.97 0.00 1.48 0.01 -1.26 -5.04 113.70 110.86 2dun s SER 118 Ca 0.44 0.10 -0.24 0.00 1.31 0.00 0.00 55.95 57.56 2dun s SER 118 Cb -0.02 -1.73 -0.18 0.00 0.21 0.00 0.00 66.02 64.31 2dun s SER 118 CO 0.25 0.13 1.30 1.55 0.41 0.00 0.00 173.24 176.88 2dun h PRO 119 N 2.85 0.14 0.00 12.44 0.13 -2.08 -3.49 132.00 141.99 2dun h PRO 119 Ca -0.47 -0.07 0.11 0.00 -0.87 0.00 0.00 66.00 64.70 2dun h PRO 119 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2dun h PRO 119 CO 0.69 0.59 0.35 0.00 -0.23 0.00 0.00 178.00 179.41 2dun n ALA 120 N -2.37 -1.52 -3.18 -0.56 0.00 -1.26 -5.18 120.51 106.43 2dun n ALA 120 Ca -0.08 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2dun n ALA 120 Cb 0.29 0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 2dun n ALA 120 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2dun s TRP 121 N -3.53 -0.14 -0.11 0.00 -0.11 -1.26 -5.17 118.94 108.63 2dun s TRP 121 Ca 0.13 0.23 -0.12 0.00 1.22 0.00 0.00 56.10 57.56 2dun s TRP 121 Cb -0.01 0.05 0.03 0.00 -1.50 0.00 0.00 33.47 32.04 2dun s TRP 121 CO 0.02 -0.31 0.33 -1.64 -4.62 0.00 0.00 176.95 170.72 2dun s MET 122 N -1.06 0.44 0.00 5.86 -1.94 -1.26 -5.17 119.30 116.17 2dun s MET 122 Ca -0.11 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 2dun s MET 122 Cb -0.05 0.21 0.00 0.00 2.01 0.00 0.00 34.83 36.99 2dun s MET 122 CO 0.03 -0.07 0.00 -0.35 -0.01 0.00 0.00 175.02 174.62 2dun n PRO 123 N 2.62 -0.02 -0.02 2.03 -0.04 -1.26 -5.03 135.00 133.27 2dun n PRO 123 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2dun n PRO 123 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 -3.00 1.90 0.11 0.55 0.00 -1.26 -4.59 120.51 114.21 2dun n ALA 124 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 2dun n ALA 124 Cb 0.00 0.12 0.10 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.16 1.18 -2.58 0.00 4.11 -1.26 -4.82 117.16 111.63 2dun n TYR 125 Ca -0.08 -0.87 -0.41 0.00 -0.00 0.00 0.00 57.90 56.54 2dun n TYR 125 Cb 0.63 -0.47 -0.03 0.00 -0.00 0.00 0.00 39.34 39.47 2dun n TYR 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2dun s ALA 126 N -1.46 2.76 -0.15 -3.48 0.00 -1.26 -4.93 121.76 113.23 2dun s ALA 126 Ca 0.23 -1.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 2dun s ALA 126 Cb 0.19 -4.41 0.05 0.00 0.00 0.00 0.00 23.12 18.96 2dun s ALA 126 CO 0.05 -3.47 0.35 0.00 0.00 0.00 0.00 175.76 172.69 2dun s SER 128 N 1.21 -1.01 -0.01 0.00 0.15 -1.26 -5.17 113.70 107.61 2dun s SER 128 Ca -0.08 1.52 -0.05 0.00 0.70 0.00 0.00 55.95 58.03 2dun s SER 128 Cb -0.08 1.75 -0.00 0.00 -1.71 0.00 0.00 66.02 65.98 2dun s SER 128 CO -0.10 -0.23 0.10 -0.83 1.20 0.00 0.00 173.24 173.38 2dun s GLY 129 N 2.17 0.05 -0.29 9.45 0.00 -1.26 -5.12 107.32 112.32 2dun s GLY 129 Ca -0.08 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 2dun s GLY 129 CO -0.19 -0.21 1.66 2.56 0.00 0.00 0.00 173.10 176.92 2dun s PRO 130 N -1.04 3.59 -0.23 2.90 0.04 -1.26 -4.97 135.00 134.03 2dun s PRO 130 Ca -0.11 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2dun s PRO 130 Cb -0.06 -4.10 0.09 0.00 0.04 0.00 0.00 34.50 30.47 2dun s PRO 130 CO 0.01 -1.54 0.14 -1.12 0.04 0.00 0.00 177.00 174.53 2dun s SER 131 N 4.90 2.55 0.19 6.66 0.01 -1.26 -5.04 113.70 121.71 2dun s SER 131 Ca 0.73 -0.80 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 2dun s SER 131 Cb -0.23 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 65.96 2dun s SER 131 CO 0.31 -0.38 1.55 0.77 0.41 0.00 0.00 173.24 175.90 2dun h SER 132 N 8.39 -1.76 0.00 2.44 4.64 -2.10 -3.57 113.55 121.59 2dun h SER 132 Ca -0.17 0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2dun h SER 132 Cb 1.09 0.82 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 2dun h SER 132 CO 0.35 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.64