#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 -0.31 -0.09 1.61 0.15 -1.26 -5.08 113.70 108.72 2dun s SER 2 Ca 0.00 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.15 2dun s SER 2 Cb 0.00 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 2dun s SER 2 CO 0.00 -0.16 0.05 0.28 1.20 0.00 0.00 173.24 174.61 2dun h SER 3 N 3.36 -0.04 0.00 5.45 0.02 -2.11 -3.50 113.55 116.73 2dun h SER 3 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2dun h SER 3 Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2dun h SER 3 CO 0.18 0.44 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 2dun n GLY 4 N 1.67 4.72 3.30 -3.77 0.00 -1.26 -5.18 105.19 104.67 2dun n GLY 4 Ca -0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2dun n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dun s SER 5 N 0.00 -0.27 0.34 1.61 0.01 -1.26 -5.18 113.70 108.95 2dun s SER 5 Ca 0.00 0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.18 2dun s SER 5 Cb 0.00 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.66 2dun s SER 5 CO 0.00 -0.56 0.78 -0.94 0.41 0.00 0.00 173.24 172.93 2dun s SER 6 N -1.64 -0.09 1.19 2.44 1.04 -1.26 -5.09 113.70 110.29 2dun s SER 6 Ca -0.09 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2dun s SER 6 Cb -0.02 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2dun s SER 6 CO 0.02 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.32 2dun n GLY 7 N -0.51 1.90 2.95 7.32 0.00 -1.26 -4.90 105.19 110.70 2dun n GLY 7 Ca -0.07 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2dun n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dun n SER 8 N 9.99 -5.88 -3.07 1.61 7.64 -1.26 -4.72 113.62 117.93 2dun n SER 8 Ca 0.00 0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.79 2dun n SER 8 Cb 0.00 -0.75 0.01 0.00 -1.01 0.00 0.00 64.21 62.46 2dun n SER 8 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2dun n THR 9 N -2.43 0.00 -0.34 0.44 5.66 -1.26 -4.72 114.28 111.63 2dun n THR 9 Ca -0.02 -0.36 0.18 0.00 -3.05 0.00 0.00 64.05 60.80 2dun n THR 9 Cb 0.55 0.00 0.39 0.00 -1.55 0.00 0.00 70.33 69.72 2dun n THR 9 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2dun h ARG 10 N -0.11 0.52 -2.82 1.09 3.08 -1.85 -3.23 114.38 111.05 2dun h ARG 10 Ca -0.30 -0.03 -0.60 0.00 0.07 0.00 0.00 59.98 59.11 2dun h ARG 10 Cb 1.04 -0.12 -0.40 0.00 0.08 0.00 0.00 29.97 30.57 2dun h ARG 10 CO 0.28 0.34 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.69 2dun s PHE 11 N -5.77 1.79 -0.86 3.04 0.08 -1.24 -4.95 117.98 110.08 2dun s PHE 11 Ca -0.11 -2.37 0.17 0.00 0.12 0.00 0.00 56.93 54.74 2dun s PHE 11 Cb 0.28 -1.64 0.71 0.00 -0.57 0.00 0.00 43.02 41.79 2dun s PHE 11 CO 0.79 -0.77 1.53 -0.35 -0.10 0.00 0.00 175.22 176.32 2dun n PRO 12 N 3.33 0.05 -1.25 0.24 -0.04 -1.22 -2.84 135.00 133.27 2dun n PRO 12 Ca 0.14 0.30 -0.27 0.00 -0.04 0.00 0.00 63.50 63.64 2dun n PRO 12 Cb 0.37 -1.60 0.15 0.00 -0.04 0.00 0.00 33.50 32.38 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 4.92 3.33 0.55 0.00 -1.26 -4.86 105.19 107.84 2dun n GLY 13 Ca 0.03 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.74 -0.55 -0.09 1.61 1.01 -1.13 -5.15 120.40 112.36 2dun s VAL 14 Ca 0.59 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.71 2dun s VAL 14 Cb 0.49 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2dun s VAL 14 CO 0.07 0.05 -0.13 0.00 0.00 0.00 0.00 175.10 175.09 2dun s ALA 15 N 2.39 1.49 -0.04 5.51 0.00 -1.26 -4.25 121.76 125.59 2dun s ALA 15 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2dun s ALA 15 Cb -0.11 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2dun s ALA 15 CO -0.14 -0.04 -0.12 0.42 0.00 0.00 0.00 175.76 175.88 2dun s ILE 16 N 0.95 3.26 -0.15 0.00 1.01 -1.22 -1.13 121.20 123.93 2dun s ILE 16 Ca -0.08 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2dun s ILE 16 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.01 2dun s ILE 16 CO -0.00 0.55 -0.18 -0.47 0.00 0.00 0.00 174.94 174.83 2dun s TYR 17 N -0.80 2.73 -0.18 3.97 5.04 -0.16 -3.59 117.35 124.35 2dun s TYR 17 Ca 0.13 -1.16 -0.21 0.00 -2.44 0.00 0.00 57.07 53.39 2dun s TYR 17 Cb -0.11 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.33 2dun s TYR 17 CO 0.02 -0.52 0.63 -0.51 -1.34 0.00 0.00 175.55 173.83 2dun s LEU 18 N 0.79 4.16 -0.54 6.97 1.43 -1.26 -1.74 118.68 128.49 2dun s LEU 18 Ca -0.07 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 53.63 2dun s LEU 18 Cb -0.16 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.17 2dun s LEU 18 CO -0.00 -0.25 1.42 -0.69 0.23 0.00 0.00 176.35 177.05 2dun s VAL 19 N 1.77 3.80 0.14 -1.59 1.01 -1.22 -4.91 120.40 119.40 2dun s VAL 19 Ca 0.30 0.70 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 2dun s VAL 19 Cb -0.16 -4.41 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 2dun s VAL 19 CO 0.11 -1.12 1.39 -0.62 0.00 0.00 0.00 175.10 174.86 2dun n GLU 20 N 8.59 -0.40 -1.17 2.72 4.71 -1.26 -4.16 120.64 129.67 2dun n GLU 20 Ca 0.13 1.36 -0.29 0.00 -0.01 0.00 0.00 57.16 58.35 2dun n GLU 20 Cb 0.49 -2.00 0.17 0.00 -1.01 0.00 0.00 31.44 29.09 2dun n GLU 20 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2dun s PRO 21 N -5.43 0.57 -1.84 3.49 0.04 -1.26 -3.69 135.00 126.87 2dun s PRO 21 Ca -0.11 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.29 2dun s PRO 21 Cb 0.10 -1.75 0.22 0.00 0.04 0.00 0.00 34.50 33.11 2dun s PRO 21 CO 0.56 -2.65 0.65 0.54 0.04 0.00 0.00 177.00 176.13 2dun n ARG 22 N -4.13 -1.38 0.04 4.56 1.74 -1.26 -4.71 116.66 111.51 2dun n ARG 22 Ca 0.06 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2dun n ARG 22 Cb 0.57 -4.82 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 2dun n ARG 22 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2dun n MET 23 N -4.15 0.00 0.00 5.56 1.56 -1.24 -3.69 117.12 115.16 2dun n MET 23 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 2dun n MET 23 Cb 0.46 -0.08 0.00 0.00 2.15 0.00 0.00 33.22 35.75 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 2.40 4.46 0.20 -5.12 0.00 -1.26 -4.74 105.19 101.13 2dun n GLY 24 Ca 0.00 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 0.69 0.05 1.61 3.08 -2.01 -3.16 114.38 114.64 2dun h ARG 25 Ca 0.00 -0.73 -0.36 0.00 0.07 0.00 0.00 59.98 58.95 2dun h ARG 25 Cb 0.00 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2dun h ARG 25 CO 0.00 1.31 -2.16 -1.13 -1.07 0.00 0.00 179.97 176.93 2dun n SER 26 N -3.85 1.64 -0.00 7.04 3.41 -1.26 -4.42 113.62 116.17 2dun n SER 26 Ca -0.11 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2dun n SER 26 Cb 0.87 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2dun n SER 26 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dun h ARG 27 N 0.03 -0.33 -0.21 4.33 9.65 -1.86 -2.20 114.38 123.80 2dun h ARG 27 Ca -0.47 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.45 2dun h ARG 27 Cb 2.02 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 30.64 2dun h ARG 27 CO 0.02 -0.22 -0.12 0.54 2.80 0.00 0.00 179.97 182.99 2dun n ARG 28 N -5.39 -0.09 0.05 0.20 1.74 -1.19 -0.96 116.66 111.01 2dun n ARG 28 Ca -0.03 0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 57.84 2dun n ARG 28 Cb 0.30 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 2dun n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dun h ALA 29 N -0.50 -0.58 -0.94 7.54 0.00 -1.75 0.93 119.26 123.96 2dun h ALA 29 Ca 0.03 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.10 2dun h ALA 29 Cb 0.09 0.69 -0.18 0.00 0.00 0.00 0.00 17.79 18.39 2dun h ALA 29 CO -0.20 -0.91 -0.24 0.34 0.00 0.00 0.00 179.25 178.24 2dun n PHE 30 N -5.44 0.32 0.02 0.00 7.35 -0.14 -0.51 117.46 119.06 2dun n PHE 30 Ca -0.05 1.15 -0.13 0.00 -0.76 0.00 0.00 57.45 57.66 2dun n PHE 30 Cb 0.36 -1.03 -0.09 0.00 0.35 0.00 0.00 39.48 39.06 2dun n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dun h LEU 31 N 0.00 -0.07 -0.97 -2.13 3.38 -0.35 -1.26 115.31 113.90 2dun h LEU 31 Ca 0.44 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 58.20 2dun h LEU 31 Cb 0.68 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.26 2dun h LEU 31 CO -0.97 0.43 -0.12 0.41 0.09 0.00 0.00 178.44 178.28 2dun n THR 32 N -4.89 -0.41 0.09 0.22 -1.04 0.33 -0.52 114.28 108.06 2dun n THR 32 Ca -0.09 2.19 -0.22 0.00 -2.04 0.00 0.00 64.05 63.90 2dun n THR 32 Cb 0.26 -3.11 -0.15 0.00 -1.82 0.00 0.00 70.33 65.52 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 0.54 0.08 3.41 0.00 -1.25 -3.17 103.07 102.67 2dun h GLY 33 Ca 0.52 -1.27 0.07 0.00 0.00 0.00 0.00 47.33 46.65 2dun h GLY 33 CO -0.96 1.12 -0.22 -2.00 0.00 0.00 0.00 176.54 174.48 2dun h LEU 34 N -0.02 -0.72 0.54 3.11 5.85 0.45 -1.27 115.31 123.26 2dun h LEU 34 Ca -0.19 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2dun h LEU 34 Cb 1.88 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 43.26 2dun h LEU 34 CO 0.22 -0.25 -0.36 0.00 -0.34 0.00 0.00 178.44 177.71 2dun h ALA 35 N 0.99 -0.89 -0.91 1.25 0.00 -0.98 -2.04 119.26 116.68 2dun h ALA 35 Ca 0.17 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.17 2dun h ALA 35 Cb 0.44 0.46 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 2dun h ALA 35 CO -0.43 -1.02 0.24 0.00 0.00 0.00 0.00 179.25 178.04 2dun h ARG 36 N -0.87 0.17 -0.74 0.00 3.08 -1.43 0.62 114.38 115.20 2dun h ARG 36 Ca -0.06 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2dun h ARG 36 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2dun h ARG 36 CO 0.05 0.11 0.26 1.03 -1.07 0.00 0.00 179.97 180.35 2dun h SER 37 N 0.17 1.06 0.43 7.04 0.87 -0.87 -3.22 113.55 119.02 2dun h SER 37 Ca 0.59 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2dun h SER 37 Cb 1.24 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2dun h SER 37 CO -0.70 0.96 -0.20 0.11 -0.53 0.00 0.00 176.83 176.47 2dun h LYS 38 N 1.09 -0.55 0.00 2.24 1.79 0.78 -3.48 116.57 118.44 2dun h LYS 38 Ca 0.24 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2dun h LYS 38 Cb 0.26 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2dun h LYS 38 CO -0.01 -0.25 0.00 0.41 -1.08 0.00 0.00 179.45 178.52 2dun n GLY 39 N -0.15 0.00 3.07 3.86 0.00 0.68 -4.92 105.19 107.73 2dun n GLY 39 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 2.25 0.26 1.61 0.08 -1.05 -3.63 117.98 117.51 2dun s PHE 40 Ca 0.00 -1.18 -0.30 0.00 0.12 0.00 0.00 56.93 55.57 2dun s PHE 40 Cb 0.00 -1.61 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 2dun s PHE 40 CO 0.00 -0.60 1.39 -0.98 -0.10 0.00 0.00 175.22 174.93 2dun s ARG 41 N 1.16 4.30 -0.19 0.44 1.70 -1.26 -3.48 118.95 121.62 2dun s ARG 41 Ca -0.01 2.25 -0.03 0.00 -0.47 0.00 0.00 55.73 57.46 2dun s ARG 41 Cb -0.14 -3.11 -0.01 0.00 -0.57 0.00 0.00 34.95 31.11 2dun s ARG 41 CO -0.06 -0.34 -0.05 0.08 -1.08 0.00 0.00 175.30 173.85 2dun s VAL 42 N -0.24 3.50 0.08 4.99 1.01 -1.26 -3.43 120.40 125.06 2dun s VAL 42 Ca 0.57 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 2dun s VAL 42 Cb -0.41 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 2dun s VAL 42 CO 0.45 0.45 0.67 -0.76 0.00 0.00 0.00 175.10 175.91 2dun s LEU 43 N 1.06 4.52 0.12 3.92 1.43 -1.24 -4.98 118.68 123.50 2dun s LEU 43 Ca 0.01 1.40 -0.15 0.00 -1.03 0.00 0.00 54.13 54.35 2dun s LEU 43 Cb -0.15 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2dun s LEU 43 CO 0.00 0.18 1.56 -2.24 0.23 0.00 0.00 176.35 176.08 2dun h ASP 44 N 4.87 0.65 -4.99 2.29 3.04 -1.99 -3.44 116.42 116.86 2dun h ASP 44 Ca -0.47 -0.31 -0.38 0.00 -3.24 0.00 0.00 57.03 52.63 2dun h ASP 44 Cb 1.21 -0.18 -0.14 0.00 -1.04 0.00 0.00 39.33 39.18 2dun h ASP 44 CO 0.67 0.81 -0.57 0.00 -2.04 0.00 0.00 179.24 178.10 2dun s ALA 45 N -4.98 1.76 -0.14 4.15 0.00 -1.26 -5.05 121.76 116.25 2dun s ALA 45 Ca -0.13 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 49.75 2dun s ALA 45 Cb 0.10 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.39 2dun s ALA 45 CO 0.79 -0.53 1.67 0.00 0.00 0.00 0.00 175.76 177.69 2dun s SER 47 N 4.04 0.12 0.27 0.00 0.15 -1.26 -5.04 113.70 111.98 2dun s SER 47 Ca 0.74 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2dun s SER 47 Cb -0.30 0.40 0.60 0.00 -1.71 0.00 0.00 66.02 65.01 2dun s SER 47 CO 0.30 -0.86 1.65 -1.28 1.20 0.00 0.00 173.24 174.25 2dun h SER 48 N 2.62 -0.08 -1.25 5.45 0.87 -1.95 0.37 113.55 119.59 2dun h SER 48 Ca -0.33 0.19 0.38 0.00 -1.23 0.00 0.00 61.79 60.80 2dun h SER 48 Cb 1.22 0.27 -0.11 0.00 -0.44 0.00 0.00 62.40 63.35 2dun h SER 48 CO 0.51 -0.14 0.81 -0.33 -0.53 0.00 0.00 176.83 177.16 2dun h GLU 49 N 0.20 0.17 -6.08 2.24 3.07 -1.96 -3.39 114.58 108.82 2dun h GLU 49 Ca 0.49 -0.01 -0.64 0.00 -0.50 0.00 0.00 59.36 58.70 2dun h GLU 49 Cb 0.94 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2dun h GLU 49 CO -0.63 0.11 1.32 0.00 -1.40 0.00 0.00 179.01 178.41 2dun n ALA 50 N -2.54 1.13 -0.06 3.43 0.00 0.13 -4.48 120.51 118.12 2dun n ALA 50 Ca 0.33 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.70 2dun n ALA 50 Cb 1.27 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.05 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 6.62 0.76 -3.96 0.00 -2.24 -0.51 -4.58 114.28 110.38 2dun n THR 51 Ca 0.33 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 2dun n THR 51 Cb 0.29 -0.92 -0.16 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.27 2.25 -0.18 4.78 3.76 -0.29 0.31 115.29 123.66 2dun s HIS 52 Ca -0.16 -1.51 -0.14 0.00 -0.15 0.00 0.00 55.06 53.10 2dun s HIS 52 Cb 0.04 -1.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2dun s HIS 52 CO 0.33 -0.72 0.32 0.08 -0.85 0.00 0.00 174.74 173.90 2dun s VAL 53 N 1.45 5.28 -0.15 -0.90 1.01 -1.12 -0.98 120.40 124.99 2dun s VAL 53 Ca -0.02 0.57 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 2dun s VAL 53 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2dun s VAL 53 CO -0.08 0.34 0.40 -0.69 0.00 0.00 0.00 175.10 175.08 2dun s VAL 54 N 0.77 5.23 -0.21 2.92 1.01 -0.71 -1.73 120.40 127.68 2dun s VAL 54 Ca 0.17 0.78 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 2dun s VAL 54 Cb -0.14 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.56 2dun s VAL 54 CO 0.05 0.33 -0.03 -0.04 0.00 0.00 0.00 175.10 175.41 2dun s MET 55 N 0.69 1.35 -0.09 2.72 -1.94 -1.13 -3.44 119.30 117.46 2dun s MET 55 Ca 0.22 -0.75 -0.20 0.00 -1.71 0.00 0.00 55.69 53.24 2dun s MET 55 Cb -0.14 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 2dun s MET 55 CO 0.08 -0.57 0.57 -2.00 -0.01 0.00 0.00 175.02 173.08 2dun s GLU 56 N 1.56 4.36 -1.21 2.03 2.12 -1.24 -3.27 118.70 123.06 2dun s GLU 56 Ca -0.03 0.63 -0.03 0.00 0.36 0.00 0.00 54.97 55.90 2dun s GLU 56 Cb -0.18 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2dun s GLU 56 CO -0.07 0.16 1.02 0.39 -0.54 0.00 0.00 175.26 176.22 2dun n GLU 57 N 3.57 -6.81 -4.95 4.30 1.02 -1.26 -4.66 120.64 111.85 2dun n GLU 57 Ca -0.05 0.82 -0.26 0.00 -0.02 0.00 0.00 57.16 57.64 2dun n GLU 57 Cb 0.51 -5.77 -0.16 0.00 -0.02 0.00 0.00 31.44 26.01 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 -3.34 1.54 1.10 2.62 2.01 -1.26 -5.09 115.64 113.24 2dun s THR 58 Ca 0.17 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.17 2dun s THR 58 Cb -0.08 -1.28 0.24 0.00 0.01 0.00 0.00 72.50 71.39 2dun s THR 58 CO 0.71 0.44 1.12 -0.55 -0.69 0.00 0.00 174.62 175.64 2dun s SER 59 N -0.45 1.76 0.08 3.53 0.15 -1.26 -4.96 113.70 112.54 2dun s SER 59 Ca 0.07 0.80 -0.11 0.00 0.70 0.00 0.00 55.95 57.41 2dun s SER 59 Cb -0.08 -1.20 -0.22 0.00 -1.71 0.00 0.00 66.02 62.82 2dun s SER 59 CO -0.01 -3.63 1.18 0.00 1.20 0.00 0.00 173.24 171.99 2dun h ALA 60 N -2.24 0.13 0.08 5.45 0.00 -1.89 -3.27 119.26 117.53 2dun h ALA 60 Ca -0.49 -0.74 -0.27 0.00 0.00 0.00 0.00 54.91 53.42 2dun h ALA 60 Cb 1.31 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2dun h ALA 60 CO 0.44 0.74 -1.14 1.05 0.00 0.00 0.00 179.25 180.34 2dun h GLU 61 N 0.30 0.45 -0.79 0.00 4.11 -1.86 -3.14 114.58 113.65 2dun h GLU 61 Ca -0.14 -0.59 0.16 0.00 0.07 0.00 0.00 59.36 58.86 2dun h GLU 61 Cb 1.77 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 31.11 2dun h GLU 61 CO 0.21 1.24 0.32 1.49 0.07 0.00 0.00 179.01 182.33 2dun h GLU 62 N 0.20 0.42 0.09 1.06 4.22 -1.95 -1.38 114.58 117.24 2dun h GLU 62 Ca -0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.28 2dun h GLU 62 Cb 1.81 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 2dun h GLU 62 CO 0.20 0.28 -0.06 0.00 -2.18 0.00 0.00 179.01 177.25 2dun h ALA 63 N 1.58 -0.14 -0.62 2.92 0.00 -1.63 0.20 119.26 121.58 2dun h ALA 63 Ca 0.44 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.50 2dun h ALA 63 Cb 0.71 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2dun h ALA 63 CO -0.43 -0.59 0.44 0.28 0.00 0.00 0.00 179.25 178.96 2dun h VAL 64 N -0.16 0.71 0.00 0.00 2.07 -1.36 0.17 116.25 117.68 2dun h VAL 64 Ca -0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2dun h VAL 64 Cb 0.14 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2dun h VAL 64 CO -0.00 0.01 -0.28 -1.28 0.02 0.00 0.00 177.57 176.03 2dun h SER 65 N 0.05 0.00 -0.03 0.57 0.87 -0.67 -2.95 113.55 111.39 2dun h SER 65 Ca 0.30 -0.89 0.01 0.00 -1.23 0.00 0.00 61.79 59.97 2dun h SER 65 Cb 1.12 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dun h SER 65 CO -0.02 1.11 0.02 -0.25 -0.53 0.00 0.00 176.83 177.17 2dun h TRP 66 N -0.99 0.00 0.07 2.24 7.01 0.02 -1.38 115.95 122.91 2dun h TRP 66 Ca -0.08 0.00 -0.25 0.00 2.11 0.00 0.00 58.89 60.68 2dun h TRP 66 Cb 1.07 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.13 2dun h TRP 66 CO 0.24 0.00 -1.10 -0.56 -2.79 0.00 0.00 178.44 174.23 2dun h GLN 67 N 0.00 0.27 -0.58 2.65 3.07 -0.78 -3.30 115.11 116.44 2dun h GLN 67 Ca 0.01 -0.39 -0.05 0.00 0.09 0.00 0.00 58.65 58.31 2dun h GLN 67 Cb 0.06 0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.73 2dun h GLN 67 CO -0.00 1.14 0.17 0.93 0.09 0.00 0.00 178.83 181.16 2dun h GLU 68 N 0.11 0.92 -0.83 0.06 4.39 -1.08 -2.85 114.58 115.30 2dun h GLU 68 Ca -0.10 -0.20 0.19 0.00 0.34 0.00 0.00 59.36 59.59 2dun h GLU 68 Cb 1.80 -0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 30.20 2dun h GLU 68 CO 0.18 0.83 0.30 0.00 -1.16 0.00 0.00 179.01 179.16 2dun h ARG 69 N 0.83 0.34 0.65 2.33 2.47 -1.52 -2.03 114.38 117.45 2dun h ARG 69 Ca 0.19 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.85 2dun h ARG 69 Cb 0.30 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2dun h ARG 69 CO -0.00 0.23 -0.31 0.00 0.56 0.00 0.00 179.97 180.44 2dun h ARG 70 N 0.35 -0.85 -1.60 0.04 3.08 -1.63 -2.85 114.38 110.93 2dun h ARG 70 Ca 0.49 0.06 0.50 0.00 0.07 0.00 0.00 59.98 61.10 2dun h ARG 70 Cb 0.88 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 31.01 2dun h ARG 70 CO -0.51 -0.52 1.09 0.52 -1.07 0.00 0.00 179.97 179.47 2dun h MET 71 N -1.10 0.02 0.23 0.04 2.86 -1.22 1.48 114.93 117.24 2dun h MET 71 Ca -0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2dun h MET 71 Cb 0.71 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2dun h MET 71 CO 0.15 0.01 -0.11 0.00 1.06 0.00 0.00 176.91 178.02 2dun h ALA 72 N 1.36 -0.31 -0.57 6.32 0.00 -1.20 -3.23 119.26 121.63 2dun h ALA 72 Ca 0.88 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.47 2dun h ALA 72 Cb 3.14 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 20.98 2dun h ALA 72 CO -0.26 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.71 2dun n ALA 73 N -2.51 4.04 -2.81 0.00 0.00 0.13 -4.94 120.51 114.42 2dun n ALA 73 Ca -0.09 -1.80 -0.27 0.00 0.00 0.00 0.00 53.44 51.28 2dun n ALA 73 Cb 0.26 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.53 3.87 0.80 0.00 0.00 0.46 -5.01 121.76 119.36 2dun s ALA 74 Ca 0.46 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 2dun s ALA 74 Cb 0.36 -1.94 0.07 0.00 0.00 0.00 0.00 23.12 21.61 2dun s ALA 74 CO 0.12 0.49 1.09 -1.25 0.00 0.00 0.00 175.76 176.21 2dun s PRO 75 N -3.23 2.05 0.14 0.00 0.04 -1.26 -4.95 135.00 127.79 2dun s PRO 75 Ca 0.37 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.21 2dun s PRO 75 Cb -0.11 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2dun s PRO 75 CO 0.29 -1.77 1.34 -1.25 0.04 0.00 0.00 177.00 175.65 2dun s PRO 76 N -4.91 4.36 0.00 0.56 0.04 -1.26 -3.05 135.00 130.74 2dun s PRO 76 Ca 0.62 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2dun s PRO 76 Cb -0.17 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2dun s PRO 76 CO 0.56 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.66 2dun n GLY 77 N 3.04 2.69 3.68 0.56 0.00 -1.26 -5.04 105.19 108.87 2dun n GLY 77 Ca 0.09 -0.09 -0.42 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 3.20 5.13 -0.01 0.00 -4.23 -1.26 -4.97 115.64 113.50 2dun s THR 79 Ca 0.82 -0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 2dun s THR 79 Cb -0.44 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 69.63 2dun s THR 79 CO 0.37 -0.20 1.46 -2.16 -0.54 0.00 0.00 174.62 173.55 2dun s PRO 80 N -3.30 4.26 0.58 3.99 0.04 -1.26 -5.00 135.00 134.30 2dun s PRO 80 Ca 0.41 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 2dun s PRO 80 Cb -0.11 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2dun s PRO 80 CO 0.29 -0.64 1.12 -1.25 0.04 0.00 0.00 177.00 176.56 2dun s PRO 81 N 2.70 3.16 -0.44 0.56 0.04 -1.26 -4.95 135.00 134.81 2dun s PRO 81 Ca 0.66 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 2dun s PRO 81 Cb -0.32 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2dun s PRO 81 CO 0.27 -0.99 1.55 0.00 0.04 0.00 0.00 177.00 177.87 2dun s ALA 82 N -1.98 2.87 -0.15 8.56 0.00 0.15 -4.84 121.76 126.38 2dun s ALA 82 Ca 0.71 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 2dun s ALA 82 Cb -0.23 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 2dun s ALA 82 CO 0.32 -2.71 1.71 -0.51 0.00 0.00 0.00 175.76 174.57 2dun s LEU 83 N 6.28 4.03 0.41 0.00 1.43 -1.26 -2.79 118.68 126.78 2dun s LEU 83 Ca 0.65 1.92 0.07 0.00 -1.03 0.00 0.00 54.13 55.73 2dun s LEU 83 Cb -0.15 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 2dun s LEU 83 CO 0.30 -1.20 0.01 -0.76 0.23 0.00 0.00 176.35 174.93 2dun s LEU 84 N 5.06 2.82 0.10 1.79 1.43 -0.71 -2.66 118.68 126.51 2dun s LEU 84 Ca 0.76 -1.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2dun s LEU 84 Cb -0.30 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2dun s LEU 84 CO 0.31 -0.47 0.09 -0.62 0.23 0.00 0.00 176.35 175.88 2dun s ASP 85 N -3.71 5.50 0.31 2.29 -1.08 -1.22 -2.85 116.67 115.92 2dun s ASP 85 Ca 0.34 -0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.40 2dun s ASP 85 Cb 0.10 -1.46 0.82 0.00 -1.46 0.00 0.00 42.92 40.91 2dun s ASP 85 CO 0.17 0.15 1.72 -0.29 0.52 0.00 0.00 175.17 177.44 2dun h ILE 86 N 2.45 0.54 -1.00 4.11 -0.00 -1.91 0.91 117.51 122.61 2dun h ILE 86 Ca -0.47 -0.19 0.31 0.00 -0.00 0.00 0.00 64.86 64.52 2dun h ILE 86 Cb 1.17 -0.06 -0.15 0.00 -0.00 0.00 0.00 36.82 37.79 2dun h ILE 86 CO 0.65 0.10 0.56 -1.28 -0.00 0.00 0.00 178.15 178.18 2dun h SER 87 N 0.55 0.51 -0.35 2.19 0.87 -1.95 0.37 113.55 115.74 2dun h SER 87 Ca 0.61 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 61.34 2dun h SER 87 Cb 1.13 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 2dun h SER 87 CO -0.48 -0.12 0.15 -0.25 -0.53 0.00 0.00 176.83 175.60 2dun h TRP 88 N 0.34 0.53 0.19 2.24 7.01 -1.21 -2.05 115.95 122.98 2dun h TRP 88 Ca 0.72 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.70 2dun h TRP 88 Cb 1.62 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 28.49 2dun h TRP 88 CO -0.02 0.48 -0.34 1.25 -2.79 0.00 0.00 178.44 177.02 2dun h LEU 89 N 0.42 -0.95 -1.68 0.65 5.85 -0.33 0.74 115.31 120.01 2dun h LEU 89 Ca 0.12 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.04 2dun h LEU 89 Cb 0.17 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2dun h LEU 89 CO -0.01 -0.44 0.39 0.71 -0.34 0.00 0.00 178.44 178.75 2dun h THR 90 N -0.60 0.89 -0.30 1.05 1.35 -1.37 0.32 112.91 114.24 2dun h THR 90 Ca 0.01 -0.13 -0.14 0.00 -0.55 0.00 0.00 66.41 65.60 2dun h THR 90 Cb 0.61 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2dun h THR 90 CO -0.16 0.07 -0.38 -0.33 -0.25 0.00 0.00 175.52 174.47 2dun h GLU 91 N 0.37 0.78 -0.30 4.72 5.08 -0.54 -1.62 114.58 123.08 2dun h GLU 91 Ca 0.27 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2dun h GLU 91 Cb 0.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dun h GLU 91 CO -0.07 1.07 -0.19 0.77 -1.00 0.00 0.00 179.01 179.59 2dun h SER 92 N 0.54 0.69 0.09 1.42 0.02 0.26 -2.69 113.55 113.89 2dun h SER 92 Ca 0.04 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2dun h SER 92 Cb 0.97 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2dun h SER 92 CO 0.09 0.97 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.63 2dun h LEU 93 N 0.41 -0.11 -1.45 5.07 3.38 -1.01 0.14 115.31 121.75 2dun h LEU 93 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dun h LEU 93 Cb 0.73 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dun h LEU 93 CO 0.05 0.06 0.00 1.23 0.09 0.00 0.00 178.44 179.87 2dun h GLY 94 N -0.27 0.00 0.00 0.83 0.00 -1.33 -0.60 103.07 101.71 2dun h GLY 94 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dun h GLY 94 CO 0.02 0.00 -1.31 0.00 0.00 0.00 0.00 176.54 175.25 2dun n ALA 95 N -1.81 3.61 0.00 3.60 0.00 -0.87 -4.97 120.51 120.07 2dun n ALA 95 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2dun n ALA 95 Cb 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.43 2.88 3.13 0.00 0.00 0.45 -4.97 105.19 108.11 2dun n GLY 96 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.70 -0.36 1.61 -2.07 -0.99 -4.70 119.66 113.78 2dun s GLN 97 Ca 0.00 -0.93 -0.28 0.00 -1.82 0.00 0.00 55.36 52.32 2dun s GLN 97 Cb 0.00 -0.51 -0.01 0.00 -1.09 0.00 0.00 33.01 31.40 2dun s GLN 97 CO 0.00 0.10 1.71 -1.25 -1.32 0.00 0.00 175.29 174.52 2dun s PRO 98 N -1.99 3.36 0.57 9.60 0.04 -1.26 -4.42 135.00 140.89 2dun s PRO 98 Ca -0.03 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2dun s PRO 98 Cb -0.08 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.25 2dun s PRO 98 CO 0.01 -1.83 1.08 0.14 0.04 0.00 0.00 177.00 176.44 2dun s VAL 99 N 6.65 3.53 0.08 -0.36 -7.23 -1.26 -4.98 120.40 116.82 2dun s VAL 99 Ca 0.75 0.83 -0.31 0.00 -1.81 0.00 0.00 61.98 61.43 2dun s VAL 99 Cb -0.20 -3.32 -0.07 0.00 0.56 0.00 0.00 36.38 33.35 2dun s VAL 99 CO 0.33 -0.33 1.39 -2.16 -0.31 0.00 0.00 175.10 174.02 2dun s PRO 100 N -3.69 4.31 0.16 4.82 0.04 -1.26 -4.94 135.00 134.44 2dun s PRO 100 Ca 0.67 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 63.41 2dun s PRO 100 Cb -0.19 -3.37 -0.15 0.00 0.04 0.00 0.00 34.50 30.83 2dun s PRO 100 CO 0.31 -0.48 1.34 0.28 0.04 0.00 0.00 177.00 178.50 2dun n VAL 101 N 4.19 0.48 -4.24 -0.36 0.31 -1.26 -4.98 118.33 112.48 2dun n VAL 101 Ca 0.12 -0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 2dun n VAL 101 Cb 0.43 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.18 2dun n VAL 101 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2dun s GLU 102 N 0.10 2.20 0.36 5.55 2.02 -1.26 -4.98 118.70 122.70 2dun s GLU 102 Ca 0.76 -1.66 0.12 0.00 0.02 0.00 0.00 54.97 54.21 2dun s GLU 102 Cb -0.81 -2.03 0.91 0.00 0.10 0.00 0.00 34.13 32.30 2dun s GLU 102 CO 0.47 0.12 1.82 0.00 0.02 0.00 0.00 175.26 177.70 2dun h ARG 104 N 0.59 0.95 -0.03 0.00 0.11 -2.01 -3.23 114.38 110.77 2dun h ARG 104 Ca 0.52 -0.48 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 2dun h ARG 104 Cb 1.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 2dun h ARG 104 CO -0.26 1.14 0.01 0.45 0.10 0.00 0.00 179.97 181.40 2dun h HIS 105 N 0.78 0.05 -1.80 4.08 3.86 -1.31 -3.44 115.15 117.36 2dun h HIS 105 Ca 0.07 -0.01 -0.65 0.00 -1.16 0.00 0.00 60.37 58.63 2dun h HIS 105 Cb 0.94 -0.01 0.10 0.00 1.06 0.00 0.00 27.41 29.49 2dun h HIS 105 CO 0.06 0.25 -0.05 0.54 0.86 0.00 0.00 177.93 179.59 2dun n ARG 106 N -4.95 0.81 -3.76 2.45 1.74 -0.28 -3.37 116.66 109.28 2dun n ARG 106 Ca -0.07 0.28 -0.36 0.00 -0.77 0.00 0.00 57.85 56.94 2dun n ARG 106 Cb 0.14 -1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 29.89 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 1.27 5.15 0.01 0.55 1.43 -1.09 -4.94 118.68 121.06 2dun s LEU 107 Ca 0.66 -2.61 -0.15 0.00 -1.03 0.00 0.00 54.13 51.00 2dun s LEU 107 Cb -0.84 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2dun s LEU 107 CO 0.57 -0.41 0.32 -0.70 0.23 0.00 0.00 176.35 176.36 2dun s GLU 108 N 0.29 0.73 0.44 1.70 2.12 -1.19 -4.49 118.70 118.31 2dun s GLU 108 Ca 0.14 -0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.23 2dun s GLU 108 Cb -0.21 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 2dun s GLU 108 CO -0.03 -0.22 0.21 0.54 -0.54 0.00 0.00 175.26 175.22 2dun s VAL 109 N -1.81 2.18 -0.30 3.70 0.11 -1.26 -4.66 120.40 118.37 2dun s VAL 109 Ca -0.10 -1.66 -0.16 0.00 -2.93 0.00 0.00 61.98 57.12 2dun s VAL 109 Cb -0.03 -2.84 0.19 0.00 -1.53 0.00 0.00 36.38 32.16 2dun s VAL 109 CO 0.01 0.00 1.15 0.00 -3.33 0.00 0.00 175.10 172.94 2dun s ALA 110 N -2.63 -2.61 -0.88 1.54 0.00 -1.26 -5.01 121.76 110.91 2dun s ALA 110 Ca 0.39 2.04 -0.06 0.00 0.00 0.00 0.00 51.96 54.33 2dun s ALA 110 Cb 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2dun s ALA 110 CO 0.22 -0.43 0.67 0.41 0.00 0.00 0.00 175.76 176.63 2dun n GLY 111 N 3.56 -1.21 3.67 0.00 0.00 -1.26 -4.86 105.19 105.09 2dun n GLY 111 Ca -0.16 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.66 4.23 -0.07 1.61 0.04 -1.26 -4.94 135.00 129.95 2dun s PRO 112 Ca 0.11 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2dun s PRO 112 Cb -0.04 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.66 2dun s PRO 112 CO 0.85 -0.71 1.89 1.03 0.04 0.00 0.00 177.00 180.09 2dun s ARG 113 N 3.25 3.92 -0.05 4.56 1.81 -1.26 -4.97 118.95 126.22 2dun s ARG 113 Ca 0.66 2.27 -0.08 0.00 -1.72 0.00 0.00 55.73 56.86 2dun s ARG 113 Cb -0.31 -4.14 0.01 0.00 -0.45 0.00 0.00 34.95 30.07 2dun s ARG 113 CO 0.26 -1.18 0.20 -1.59 -0.68 0.00 0.00 175.30 172.31 2dun s LYS 114 N 4.72 0.38 -0.61 3.54 0.00 -1.26 -4.97 119.74 121.54 2dun s LYS 114 Ca 0.85 0.01 -0.09 0.00 0.00 0.00 0.00 55.97 56.73 2dun s LYS 114 Cb -0.36 0.17 0.01 0.00 0.00 0.00 0.00 37.83 37.65 2dun s LYS 114 CO 0.36 -0.08 0.52 0.41 0.00 0.00 0.00 175.35 176.56 2dun n GLY 115 N 2.27 -0.75 3.63 0.59 0.00 -1.26 -4.91 105.19 104.75 2dun n GLY 115 Ca -0.17 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.83 -0.50 0.14 1.61 0.04 -1.26 -5.08 135.00 126.12 2dun s PRO 116 Ca 0.09 0.19 0.10 0.00 0.04 0.00 0.00 61.00 61.42 2dun s PRO 116 Cb -0.01 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2dun s PRO 116 CO 0.75 -3.29 -0.23 -0.48 0.04 0.00 0.00 177.00 173.80 2dun s LEU 117 N -6.73 2.36 -0.23 -3.56 0.05 -1.26 -5.15 118.68 104.17 2dun s LEU 117 Ca 0.68 -0.78 -0.20 0.00 0.05 0.00 0.00 54.13 53.89 2dun s LEU 117 Cb -0.14 -1.02 0.06 0.00 -2.05 0.00 0.00 46.19 43.04 2dun s LEU 117 CO 0.57 0.08 0.60 -0.44 -0.55 0.00 0.00 176.35 176.61 2dun s SER 118 N -2.27 -0.66 -0.01 1.48 0.01 -1.26 -5.07 113.70 105.93 2dun s SER 118 Ca 0.13 1.23 -0.25 0.00 1.31 0.00 0.00 55.95 58.38 2dun s SER 118 Cb -0.09 1.22 -0.19 0.00 0.21 0.00 0.00 66.02 67.18 2dun s SER 118 CO 0.06 -0.21 1.29 1.55 0.41 0.00 0.00 173.24 176.34 2dun h PRO 119 N 5.49 0.09 0.00 12.44 0.13 -2.09 -3.49 132.00 144.58 2dun h PRO 119 Ca -0.29 -0.05 0.21 0.00 -0.87 0.00 0.00 66.00 65.01 2dun h PRO 119 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2dun h PRO 119 CO 0.14 0.55 0.67 0.00 -0.23 0.00 0.00 178.00 179.13 2dun n ALA 120 N -2.36 -2.89 -2.76 -0.56 0.00 -1.26 -5.16 120.51 105.51 2dun n ALA 120 Ca -0.08 -0.93 -0.35 0.00 0.00 0.00 0.00 53.44 52.08 2dun n ALA 120 Cb 0.28 0.43 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.16 3.25 -0.01 0.00 -0.11 -1.26 -5.11 118.94 113.55 2dun s TRP 121 Ca 0.24 0.20 0.00 0.00 1.22 0.00 0.00 56.10 57.77 2dun s TRP 121 Cb -0.02 -1.88 0.01 0.00 -1.50 0.00 0.00 33.47 30.08 2dun s TRP 121 CO 0.04 0.43 0.01 -1.64 -4.62 0.00 0.00 176.95 171.16 2dun s MET 122 N -0.60 0.02 1.07 5.86 -1.94 -1.26 -5.16 119.30 117.29 2dun s MET 122 Ca 0.11 0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 53.99 2dun s MET 122 Cb -0.12 -0.10 0.22 0.00 2.01 0.00 0.00 34.83 36.85 2dun s MET 122 CO 0.02 -0.04 1.10 -1.25 -0.01 0.00 0.00 175.02 174.84 2dun s PRO 123 N 0.31 -0.16 -0.28 2.03 0.04 -1.26 -5.03 135.00 130.65 2dun s PRO 123 Ca -0.03 0.32 -0.14 0.00 0.04 0.00 0.00 61.00 61.19 2dun s PRO 123 Cb -0.04 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 2dun s PRO 123 CO -0.01 -3.08 -0.36 0.00 0.04 0.00 0.00 177.00 173.59 2dun n ALA 124 N -4.39 1.21 -0.31 8.56 0.00 -1.26 -4.50 120.51 119.82 2dun n ALA 124 Ca 0.07 -1.11 0.15 0.00 0.00 0.00 0.00 53.44 52.56 2dun n ALA 124 Cb 0.58 0.13 0.32 0.00 0.00 0.00 0.00 19.45 20.49 2dun n ALA 124 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2dun h TYR 125 N -0.98 0.34 -0.19 0.00 -0.00 -2.09 -3.39 116.97 110.66 2dun h TYR 125 Ca -0.71 0.05 -0.65 0.00 -0.00 0.00 0.00 58.73 57.43 2dun h TYR 125 Cb 1.63 -0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.30 2dun h TYR 125 CO -0.09 -0.28 1.50 0.00 -0.00 0.00 0.00 178.16 179.30 2dun n ALA 126 N -2.73 0.37 -3.67 0.10 0.00 -1.26 -4.87 120.51 108.45 2dun n ALA 126 Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 2dun n ALA 126 Cb 0.76 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.88 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 1.96 5.34 0.00 0.00 0.01 -1.26 -5.08 113.70 114.67 2dun s SER 128 Ca -0.07 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2dun s SER 128 Cb -0.09 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2dun s SER 128 CO -0.15 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dun n GLY 129 N -1.33 -1.48 3.77 3.44 0.00 -1.26 -5.16 105.19 103.17 2dun n GLY 129 Ca -0.03 0.80 -0.39 0.00 0.00 0.00 0.00 46.02 46.39 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 4.18 -0.12 1.61 0.04 -1.26 -5.04 135.00 134.42 2dun s PRO 130 Ca 0.00 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2dun s PRO 130 Cb 0.00 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.71 2dun s PRO 130 CO 0.00 -0.24 -0.21 -1.54 0.04 0.00 0.00 177.00 175.05 2dun s SER 131 N -0.92 2.95 0.23 6.66 1.04 -1.26 -5.12 113.70 117.27 2dun s SER 131 Ca 0.54 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 2dun s SER 131 Cb -0.34 -1.35 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 2dun s SER 131 CO 0.43 0.10 0.21 -0.94 0.98 0.00 0.00 173.24 174.02 2dun s SER 132 N 0.64 0.32 0.00 7.02 1.04 -1.26 -5.38 113.70 116.08 2dun s SER 132 Ca -0.12 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 54.94 2dun s SER 132 Cb -0.16 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2dun s SER 132 CO 0.03 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.93