#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 -0.24 0.01 1.61 0.15 -1.26 -5.18 113.70 108.79 2dun s SER 2 Ca 0.00 0.38 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 2dun s SER 2 Cb 0.00 1.11 -0.01 0.00 -1.71 0.00 0.00 66.02 65.41 2dun s SER 2 CO 0.00 -0.06 0.01 -0.55 1.20 0.00 0.00 173.24 173.84 2dun s SER 3 N 1.23 0.15 -0.12 5.45 0.15 -1.26 -5.16 113.70 114.14 2dun s SER 3 Ca -0.08 -0.32 -0.33 0.00 0.70 0.00 0.00 55.95 55.91 2dun s SER 3 Cb -0.03 0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.53 2dun s SER 3 CO -0.12 -0.24 1.34 -0.83 1.20 0.00 0.00 173.24 174.59 2dun s GLY 4 N -1.09 -0.38 -0.20 9.45 0.00 -1.26 -5.18 107.32 108.66 2dun s GLY 4 Ca -0.12 1.16 -0.27 0.00 0.00 0.00 0.00 44.72 45.49 2dun s GLY 4 CO -0.00 0.31 0.73 -0.56 0.00 0.00 0.00 173.10 173.57 2dun s SER 5 N -2.67 -0.70 0.09 1.64 0.01 -1.26 -5.17 113.70 105.64 2dun s SER 5 Ca 0.13 1.17 0.03 0.00 1.31 0.00 0.00 55.95 58.59 2dun s SER 5 Cb 0.04 1.13 -0.04 0.00 0.21 0.00 0.00 66.02 67.35 2dun s SER 5 CO -0.05 -0.36 0.13 -0.55 0.41 0.00 0.00 173.24 172.83 2dun s SER 6 N -0.15 5.79 0.00 2.44 0.15 -1.26 -4.74 113.70 115.92 2dun s SER 6 Ca -0.03 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dun s SER 6 Cb -0.03 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 2dun s SER 6 CO 0.03 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dun n GLY 7 N 0.23 2.18 3.02 9.45 0.00 -1.26 -4.99 105.19 113.83 2dun n GLY 7 Ca -0.08 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2dun n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dun n SER 8 N 4.41 -5.64 -3.22 1.61 2.88 -1.26 -4.70 113.62 107.71 2dun n SER 8 Ca 0.00 0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 57.48 2dun n SER 8 Cb 0.00 -0.77 -0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2dun n SER 8 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2dun n THR 9 N -2.33 0.58 -0.29 2.46 5.66 -1.26 -4.76 114.28 114.35 2dun n THR 9 Ca -0.00 -0.37 0.10 0.00 -3.05 0.00 0.00 64.05 60.72 2dun n THR 9 Cb 0.54 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.58 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 0.29 0.41 -3.22 1.09 3.08 -1.84 -3.15 114.38 111.04 2dun h ARG 10 Ca -0.27 -0.02 -0.65 0.00 0.07 0.00 0.00 59.98 59.11 2dun h ARG 10 Cb 1.08 -0.09 -0.40 0.00 0.08 0.00 0.00 29.97 30.64 2dun h ARG 10 CO 0.36 0.27 -0.47 -0.06 -1.07 0.00 0.00 179.97 179.00 2dun s PHE 11 N -5.94 3.56 -1.19 3.04 0.08 -1.25 -5.02 117.98 111.26 2dun s PHE 11 Ca -0.12 -3.20 -0.23 0.00 0.12 0.00 0.00 56.93 53.50 2dun s PHE 11 Cb 0.23 -2.88 -0.09 0.00 -0.57 0.00 0.00 43.02 39.72 2dun s PHE 11 CO 0.77 -0.64 1.93 -0.35 -0.10 0.00 0.00 175.22 176.84 2dun n PRO 12 N 2.36 1.61 0.00 0.24 -0.04 -1.19 -2.85 135.00 135.12 2dun n PRO 12 Ca 0.17 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 2dun n PRO 12 Cb 0.35 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 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 5.76 0.31 3.48 0.55 0.00 -1.26 -5.10 105.19 108.92 2dun n GLY 13 Ca 0.45 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 2dun n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dun s VAL 14 N 0.00 4.88 -0.28 1.61 0.11 -1.13 -4.90 120.40 120.69 2dun s VAL 14 Ca 0.00 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2dun s VAL 14 Cb 0.00 -4.23 0.05 0.00 -1.53 0.00 0.00 36.38 30.67 2dun s VAL 14 CO 0.00 -0.68 -0.06 0.00 -3.33 0.00 0.00 175.10 171.03 2dun s ALA 15 N 2.65 2.69 -0.02 1.54 0.00 -1.26 -3.41 121.76 123.95 2dun s ALA 15 Ca 0.17 -1.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.25 2dun s ALA 15 Cb -0.17 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.14 2dun s ALA 15 CO 0.15 -1.18 0.44 0.42 0.00 0.00 0.00 175.76 175.59 2dun s ILE 16 N 1.20 5.02 -0.15 0.00 1.01 -1.10 -0.01 121.20 127.18 2dun s ILE 16 Ca -0.06 0.91 0.01 0.00 0.00 0.00 0.00 60.65 61.51 2dun s ILE 16 Cb -0.19 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 2dun s ILE 16 CO -0.03 0.52 -0.16 -0.47 0.00 0.00 0.00 174.94 174.79 2dun s TYR 17 N -0.69 2.76 -0.14 3.97 6.14 0.61 -3.51 117.35 126.49 2dun s TYR 17 Ca 0.25 -1.03 -0.21 0.00 0.64 0.00 0.00 57.07 56.72 2dun s TYR 17 Cb -0.17 -1.86 -0.03 0.00 0.42 0.00 0.00 41.96 40.32 2dun s TYR 17 CO 0.13 -0.46 0.63 -0.51 0.64 0.00 0.00 175.55 175.99 2dun s LEU 18 N 0.73 4.22 -0.78 6.97 1.43 -1.26 -2.61 118.68 127.38 2dun s LEU 18 Ca -0.07 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 53.71 2dun s LEU 18 Cb -0.16 -2.92 0.03 0.00 0.03 0.00 0.00 46.19 43.17 2dun s LEU 18 CO 0.01 -0.18 1.30 -0.69 0.23 0.00 0.00 176.35 177.02 2dun s VAL 19 N 1.36 3.76 0.12 -1.59 1.01 -1.25 -4.90 120.40 118.89 2dun s VAL 19 Ca 0.31 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 2dun s VAL 19 Cb -0.16 -4.94 -0.05 0.00 0.00 0.00 0.00 36.38 31.23 2dun s VAL 19 CO 0.13 -1.87 1.11 -0.62 0.00 0.00 0.00 175.10 173.85 2dun n GLU 20 N 9.29 -0.32 -2.26 2.72 1.02 -1.26 -3.97 120.64 125.87 2dun n GLU 20 Ca 0.08 1.09 -0.39 0.00 -0.02 0.00 0.00 57.16 57.92 2dun n GLU 20 Cb 0.49 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2dun n GLU 20 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2dun s PRO 21 N -5.35 4.09 -1.33 3.49 0.04 -1.26 -3.40 135.00 131.29 2dun s PRO 21 Ca -0.09 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 2dun s PRO 21 Cb 0.08 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2dun s PRO 21 CO 0.45 -0.31 1.14 0.54 0.04 0.00 0.00 177.00 178.86 2dun n ARG 22 N 0.19 -7.61 0.02 4.56 1.74 -1.26 -4.87 116.66 109.42 2dun n ARG 22 Ca 0.04 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 2dun n ARG 22 Cb 0.46 -5.87 0.00 0.00 -1.02 0.00 0.00 32.46 26.03 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 -4.81 0.00 0.00 5.56 1.56 -1.22 -4.19 117.12 114.02 2dun n MET 23 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 2dun n MET 23 Cb 0.58 -0.21 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 2.15 3.72 0.04 -5.12 0.00 -1.26 -4.48 105.19 100.25 2dun n GLY 24 Ca 0.00 -1.68 -0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.00 0.00 1.61 3.08 -2.00 -3.34 114.38 113.73 2dun h ARG 25 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2dun h ARG 25 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2dun h ARG 25 CO 0.00 -0.00 -0.63 0.66 -1.07 0.00 0.00 179.97 178.93 2dun h SER 26 N -0.85 0.00 -0.98 7.04 4.64 -2.01 -3.38 113.55 118.01 2dun h SER 26 Ca -0.00 -0.48 0.17 0.00 -0.47 0.00 0.00 61.79 61.01 2dun h SER 26 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 2dun h SER 26 CO 0.00 1.10 -0.34 -1.14 -0.87 0.00 0.00 176.83 175.58 2dun n ARG 27 N -4.56 -0.18 -0.35 4.77 0.63 -1.26 0.29 116.66 116.00 2dun n ARG 27 Ca -0.18 1.51 0.09 0.00 -0.92 0.00 0.00 57.85 58.36 2dun n ARG 27 Cb 0.46 -2.24 0.20 0.00 0.45 0.00 0.00 32.46 31.33 2dun n ARG 27 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2dun n ARG 28 N -5.49 -0.08 -0.05 -0.14 0.63 -1.25 0.11 116.66 110.38 2dun n ARG 28 Ca 0.12 1.51 -0.14 0.00 -0.92 0.00 0.00 57.85 58.41 2dun n ARG 28 Cb 0.42 -2.31 -0.08 0.00 0.45 0.00 0.00 32.46 30.95 2dun n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dun h ALA 29 N 1.97 0.21 -0.97 5.13 0.00 -0.36 -2.92 119.26 122.32 2dun h ALA 29 Ca 0.52 -0.40 0.19 0.00 0.00 0.00 0.00 54.91 55.22 2dun h ALA 29 Cb 0.92 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.50 2dun h ALA 29 CO -0.98 0.21 -0.26 0.35 0.00 0.00 0.00 179.25 178.58 2dun h PHE 30 N 0.02 -0.58 -0.27 0.00 3.04 0.68 0.32 116.94 120.14 2dun h PHE 30 Ca 0.00 0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 2dun h PHE 30 Cb 0.87 0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 2dun h PHE 30 CO 0.10 -0.41 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.72 2dun h LEU 31 N -0.00 0.64 -0.69 0.59 3.38 -1.44 -2.00 115.31 115.79 2dun h LEU 31 Ca 0.45 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2dun h LEU 31 Cb 0.69 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 2dun h LEU 31 CO -0.99 0.94 -0.43 0.74 0.09 0.00 0.00 178.44 178.78 2dun h THR 32 N 0.34 0.00 -0.33 0.22 2.02 -0.17 0.14 112.91 115.13 2dun h THR 32 Ca 0.05 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.09 2dun h THR 32 Cb 0.73 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2dun h THR 32 CO 0.05 0.00 -0.36 1.23 0.37 0.00 0.00 175.52 176.81 2dun h GLY 33 N -0.03 0.91 -0.20 2.16 0.00 -1.51 -3.08 103.07 101.31 2dun h GLY 33 Ca 0.11 -0.95 0.05 0.00 0.00 0.00 0.00 47.33 46.55 2dun h GLY 33 CO -0.67 0.86 -0.46 -2.00 0.00 0.00 0.00 176.54 174.27 2dun h LEU 34 N 0.61 -1.49 0.34 3.11 5.85 -0.45 -0.50 115.31 122.78 2dun h LEU 34 Ca 0.05 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2dun h LEU 34 Cb 0.95 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 2dun h LEU 34 CO 0.09 -0.41 -0.46 0.00 -0.34 0.00 0.00 178.44 177.32 2dun h ALA 35 N 0.18 -0.96 -0.96 1.25 0.00 -0.84 -1.80 119.26 116.13 2dun h ALA 35 Ca 0.10 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.17 2dun h ALA 35 Cb 0.61 0.71 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 2dun h ALA 35 CO -0.51 -1.09 0.40 0.00 0.00 0.00 0.00 179.25 178.05 2dun h ARG 36 N -0.85 0.21 -0.64 0.00 3.08 -1.36 0.78 114.38 115.60 2dun h ARG 36 Ca -0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2dun h ARG 36 Cb 0.78 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2dun h ARG 36 CO -0.14 0.14 0.12 0.77 -1.07 0.00 0.00 179.97 179.79 2dun h SER 37 N 0.21 0.98 0.32 7.04 0.02 -0.35 -3.19 113.55 118.58 2dun h SER 37 Ca 0.68 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.39 2dun h SER 37 Cb 1.52 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dun h SER 37 CO -0.67 0.97 -0.16 0.11 -1.14 0.00 0.00 176.83 175.94 2dun h LYS 38 N 0.97 -0.42 0.00 3.45 1.79 0.13 -3.47 116.57 119.02 2dun h LYS 38 Ca 0.20 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2dun h LYS 38 Cb 0.40 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2dun h LYS 38 CO 0.01 -0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.69 2dun n GLY 39 N -0.26 0.00 3.32 3.86 0.00 -0.04 -4.94 105.19 107.13 2dun n GLY 39 Ca -0.09 0.00 -0.31 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 2.37 -0.47 1.61 0.08 -1.10 -3.86 117.98 116.60 2dun s PHE 40 Ca 0.00 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.36 2dun s PHE 40 Cb 0.00 -1.51 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2dun s PHE 40 CO 0.00 -0.02 1.00 0.50 -0.10 0.00 0.00 175.22 176.59 2dun s ARG 41 N -0.61 3.59 -0.19 0.44 3.52 -1.22 -3.51 118.95 120.98 2dun s ARG 41 Ca 0.10 0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.83 2dun s ARG 41 Cb -0.10 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 2dun s ARG 41 CO -0.01 -1.28 0.41 0.08 -0.81 0.00 0.00 175.30 173.70 2dun s VAL 42 N 3.99 5.19 -0.14 7.11 1.01 -1.26 -2.72 120.40 133.57 2dun s VAL 42 Ca 0.41 0.74 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 2dun s VAL 42 Cb -0.09 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2dun s VAL 42 CO 0.28 0.25 0.59 -0.76 0.00 0.00 0.00 175.10 175.47 2dun s LEU 43 N 1.27 4.22 0.08 3.92 1.43 -1.23 -4.98 118.68 123.40 2dun s LEU 43 Ca 0.20 0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 53.97 2dun s LEU 43 Cb -0.15 -2.87 -0.15 0.00 0.03 0.00 0.00 46.19 43.05 2dun s LEU 43 CO 0.08 -0.15 1.69 -2.24 0.23 0.00 0.00 176.35 175.96 2dun h ASP 44 N 7.08 0.01 -2.39 2.29 3.04 -1.97 -3.44 116.42 121.04 2dun h ASP 44 Ca -0.37 -0.06 -0.57 0.00 -3.24 0.00 0.00 57.03 52.80 2dun h ASP 44 Cb 1.17 -0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.32 2dun h ASP 44 CO 0.76 0.06 -0.71 0.00 -2.04 0.00 0.00 179.24 177.32 2dun s ALA 45 N -5.97 2.65 -0.02 4.15 0.00 -1.26 -5.04 121.76 116.27 2dun s ALA 45 Ca -0.13 -1.94 -0.30 0.00 0.00 0.00 0.00 51.96 49.59 2dun s ALA 45 Cb 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 2dun s ALA 45 CO 0.66 0.10 2.01 0.00 0.00 0.00 0.00 175.76 178.53 2dun s SER 47 N 5.01 0.49 0.57 0.00 0.01 -1.26 -5.02 113.70 113.50 2dun s SER 47 Ca 0.91 -0.71 0.31 0.00 1.31 0.00 0.00 55.95 57.78 2dun s SER 47 Cb -0.45 0.12 1.45 0.00 0.21 0.00 0.00 66.02 67.34 2dun s SER 47 CO 0.42 -0.39 1.82 0.77 0.41 0.00 0.00 173.24 176.27 2dun h SER 48 N 4.02 0.00 -0.96 2.44 4.64 -1.98 0.18 113.55 121.88 2dun h SER 48 Ca -0.33 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.06 2dun h SER 48 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 2dun h SER 48 CO 0.51 0.00 0.61 -0.33 -0.87 0.00 0.00 176.83 176.75 2dun h GLU 49 N 0.00 1.07 -4.56 4.77 3.07 -1.97 -3.43 114.58 113.53 2dun h GLU 49 Ca 0.37 -0.06 -0.57 0.00 -0.50 0.00 0.00 59.36 58.60 2dun h GLU 49 Cb 1.72 -0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 29.35 2dun h GLU 49 CO -0.00 0.71 1.08 0.00 -1.40 0.00 0.00 179.01 179.39 2dun n ALA 50 N -2.36 0.18 -0.11 3.43 0.00 0.64 -4.67 120.51 117.62 2dun n ALA 50 Ca 0.15 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 2dun n ALA 50 Cb 0.20 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 17.90 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 5.18 1.56 -4.77 0.00 -2.24 0.99 -4.53 114.28 110.47 2dun n THR 51 Ca 0.44 -0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.62 2dun n THR 51 Cb -0.02 -1.84 -0.15 0.00 -2.10 0.00 0.00 70.33 66.22 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 -2.47 1.81 -0.05 4.78 3.76 -0.59 -1.68 115.29 120.84 2dun s HIS 52 Ca -0.33 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.26 2dun s HIS 52 Cb 0.10 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.66 2dun s HIS 52 CO 0.58 0.04 -0.17 0.08 -0.85 0.00 0.00 174.74 174.42 2dun s VAL 53 N -0.67 2.78 -0.21 -0.90 1.01 -0.44 -0.28 120.40 121.69 2dun s VAL 53 Ca 0.08 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2dun s VAL 53 Cb -0.08 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2dun s VAL 53 CO 0.01 0.58 0.05 -0.69 0.00 0.00 0.00 175.10 175.05 2dun s VAL 54 N -0.53 4.39 -0.15 2.92 1.01 -1.07 -1.13 120.40 125.85 2dun s VAL 54 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2dun s VAL 54 Cb -0.11 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2dun s VAL 54 CO 0.01 0.40 -0.07 -0.04 0.00 0.00 0.00 175.10 175.40 2dun s MET 55 N 1.00 1.59 0.02 2.72 -1.94 -0.96 -3.91 119.30 117.82 2dun s MET 55 Ca 0.03 -0.44 -0.15 0.00 -1.71 0.00 0.00 55.69 53.42 2dun s MET 55 Cb -0.14 -1.88 -0.06 0.00 2.01 0.00 0.00 34.83 34.76 2dun s MET 55 CO 0.03 -0.35 0.45 -2.00 -0.01 0.00 0.00 175.02 173.13 2dun s GLU 56 N 1.63 3.97 -1.53 2.03 2.12 -1.26 -2.66 118.70 123.01 2dun s GLU 56 Ca 0.03 0.47 -0.06 0.00 0.36 0.00 0.00 54.97 55.77 2dun s GLU 56 Cb -0.14 -3.20 0.05 0.00 0.26 0.00 0.00 34.13 31.10 2dun s GLU 56 CO -0.08 0.67 0.45 0.39 -0.54 0.00 0.00 175.26 176.15 2dun n GLU 57 N 1.72 -2.76 -5.16 4.30 1.02 -1.26 -4.85 120.64 113.65 2dun n GLU 57 Ca -0.13 0.33 -0.31 0.00 -0.02 0.00 0.00 57.16 57.04 2dun n GLU 57 Cb 0.52 -4.52 -0.17 0.00 -0.02 0.00 0.00 31.44 27.25 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 -3.83 1.94 0.76 2.62 2.01 -1.26 -5.13 115.64 112.75 2dun s THR 58 Ca 0.23 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 2dun s THR 58 Cb -0.13 -1.67 0.05 0.00 0.01 0.00 0.00 72.50 70.76 2dun s THR 58 CO 0.92 0.54 1.10 -0.55 -0.69 0.00 0.00 174.62 175.94 2dun s SER 59 N 0.22 4.55 0.23 3.53 0.15 -1.26 -4.85 113.70 116.27 2dun s SER 59 Ca -0.14 1.88 -0.08 0.00 0.70 0.00 0.00 55.95 58.31 2dun s SER 59 Cb -0.16 -2.53 0.22 0.00 -1.71 0.00 0.00 66.02 61.84 2dun s SER 59 CO 0.07 -2.00 1.89 0.00 1.20 0.00 0.00 173.24 174.40 2dun h ALA 60 N -0.93 1.11 -0.01 5.45 0.00 -1.89 -1.69 119.26 121.30 2dun h ALA 60 Ca -0.44 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 2dun h ALA 60 Cb 1.24 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.71 2dun h ALA 60 CO 0.51 0.47 -0.77 1.05 0.00 0.00 0.00 179.25 180.51 2dun h GLU 61 N 1.14 0.53 -0.68 0.00 4.11 -1.87 -3.25 114.58 114.57 2dun h GLU 61 Ca 0.33 -0.56 0.11 0.00 0.07 0.00 0.00 59.36 59.30 2dun h GLU 61 Cb -0.09 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2dun h GLU 61 CO -0.08 1.19 0.28 1.49 0.07 0.00 0.00 179.01 181.96 2dun h GLU 62 N 0.10 0.46 -0.25 1.06 4.81 -1.88 -1.93 114.58 116.96 2dun h GLU 62 Ca -0.09 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2dun h GLU 62 Cb 1.46 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 2dun h GLU 62 CO 0.15 0.31 -0.12 0.00 -0.73 0.00 0.00 179.01 178.62 2dun h ALA 63 N 1.45 0.08 -0.26 2.92 0.00 -1.38 -2.32 119.26 119.76 2dun h ALA 63 Ca 0.35 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2dun h ALA 63 Cb 0.44 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2dun h ALA 63 CO -0.32 -0.53 -0.12 0.28 0.00 0.00 0.00 179.25 178.57 2dun h VAL 64 N -0.09 0.62 -0.03 0.00 2.07 -1.42 -2.49 116.25 114.91 2dun h VAL 64 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2dun h VAL 64 Cb 0.28 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2dun h VAL 64 CO -0.30 0.00 -0.37 -1.28 0.02 0.00 0.00 177.57 175.64 2dun h SER 65 N -0.08 -1.16 -0.99 0.57 0.87 -0.96 0.10 113.55 111.89 2dun h SER 65 Ca 0.14 0.13 0.34 0.00 -1.23 0.00 0.00 61.79 61.16 2dun h SER 65 Cb 0.29 0.44 -0.16 0.00 -0.44 0.00 0.00 62.40 62.53 2dun h SER 65 CO -0.31 -0.35 0.52 -0.25 -0.53 0.00 0.00 176.83 175.91 2dun h TRP 66 N -0.44 0.84 0.11 2.24 7.01 -1.25 0.14 115.95 124.60 2dun h TRP 66 Ca 0.01 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2dun h TRP 66 Cb 0.49 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 2dun h TRP 66 CO -0.50 -0.26 -0.05 0.37 -2.79 0.00 0.00 178.44 175.21 2dun h GLN 67 N 0.23 -0.14 -0.91 2.65 5.75 -0.69 -3.19 115.11 118.81 2dun h GLN 67 Ca 0.74 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 59.46 2dun h GLN 67 Cb 1.76 0.03 -0.17 0.00 1.07 0.00 0.00 27.48 30.17 2dun h GLN 67 CO -0.66 0.20 -0.15 0.39 -2.65 0.00 0.00 178.83 175.96 2dun n GLU 68 N -4.99 -0.08 -0.29 1.69 -0.58 0.49 0.36 120.64 117.24 2dun n GLU 68 Ca -0.09 1.40 0.11 0.00 -0.42 0.00 0.00 57.16 58.15 2dun n GLU 68 Cb 0.22 -2.12 0.21 0.00 -0.57 0.00 0.00 31.44 29.18 2dun n GLU 68 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2dun n ARG 69 N -5.43 -0.07 0.44 3.49 5.12 -1.10 -0.20 116.66 118.92 2dun n ARG 69 Ca 0.17 1.24 -0.18 0.00 -1.93 0.00 0.00 57.85 57.15 2dun n ARG 69 Cb 0.53 -1.95 -0.09 0.00 -1.16 0.00 0.00 32.46 29.79 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 -1.10 -1.56 5.56 3.08 -0.28 -2.74 114.38 117.35 2dun h ARG 70 Ca 0.47 0.07 0.50 0.00 0.07 0.00 0.00 59.98 61.10 2dun h ARG 70 Cb 0.93 0.25 -0.12 0.00 0.08 0.00 0.00 29.97 31.11 2dun h ARG 70 CO -0.79 -0.73 1.05 0.52 -1.07 0.00 0.00 179.97 178.96 2dun h MET 71 N -1.27 0.01 0.37 0.04 2.86 -0.59 1.32 114.93 117.67 2dun h MET 71 Ca -0.12 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2dun h MET 71 Cb 0.88 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2dun h MET 71 CO 0.19 0.01 -0.18 0.00 1.06 0.00 0.00 176.91 177.99 2dun h ALA 72 N 1.42 -0.50 -0.70 6.32 0.00 -1.04 -3.20 119.26 121.56 2dun h ALA 72 Ca 0.89 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 55.39 2dun h ALA 72 Cb 3.10 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 20.95 2dun h ALA 72 CO -0.32 -0.60 0.28 0.00 0.00 0.00 0.00 179.25 178.61 2dun n ALA 73 N -2.52 4.49 -2.75 0.00 0.00 0.12 -4.94 120.51 114.91 2dun n ALA 73 Ca -0.10 -2.14 -0.29 0.00 0.00 0.00 0.00 53.44 50.91 2dun n ALA 73 Cb 0.28 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.77 3.48 0.74 0.00 0.00 0.41 -5.01 121.76 118.61 2dun s ALA 74 Ca 0.50 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2dun s ALA 74 Cb 0.40 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 22.24 2dun s ALA 74 CO 0.12 0.64 1.10 -1.25 0.00 0.00 0.00 175.76 176.37 2dun s PRO 75 N -2.63 2.43 0.17 0.00 0.04 -1.26 -4.90 135.00 128.85 2dun s PRO 75 Ca 0.29 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2dun s PRO 75 Cb -0.11 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 2dun s PRO 75 CO 0.21 -1.52 1.32 -1.25 0.04 0.00 0.00 177.00 175.80 2dun s PRO 76 N -4.63 4.38 0.00 0.56 0.04 -1.26 -3.05 135.00 131.04 2dun s PRO 76 Ca 0.63 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2dun s PRO 76 Cb -0.18 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2dun s PRO 76 CO 0.51 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.67 2dun n GLY 77 N 2.65 2.88 3.67 0.56 0.00 -1.26 -5.04 105.19 108.66 2dun n GLY 77 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 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 2.05 5.38 0.40 0.00 2.01 -1.26 -5.01 115.64 119.20 2dun s THR 79 Ca 0.84 0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.90 2dun s THR 79 Cb -0.67 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 2dun s THR 79 CO 0.42 0.44 1.19 -2.16 -0.69 0.00 0.00 174.62 173.82 2dun s PRO 80 N 0.28 4.06 1.07 4.92 0.04 -1.26 -5.03 135.00 139.08 2dun s PRO 80 Ca 0.11 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 2dun s PRO 80 Cb -0.12 -2.71 0.22 0.00 0.04 0.00 0.00 34.50 31.94 2dun s PRO 80 CO 0.01 -0.33 1.10 -1.25 0.04 0.00 0.00 177.00 176.56 2dun s PRO 81 N -2.26 -0.15 -0.42 0.56 0.04 -1.26 -4.97 135.00 126.53 2dun s PRO 81 Ca 0.57 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.67 2dun s PRO 81 Cb -0.32 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2dun s PRO 81 CO 0.41 -3.08 0.91 0.00 0.04 0.00 0.00 177.00 175.28 2dun s ALA 82 N -2.98 3.31 -0.52 8.56 0.00 -0.68 -4.90 121.76 124.55 2dun s ALA 82 Ca 0.67 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 2dun s ALA 82 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.39 2dun s ALA 82 CO 0.57 -1.86 1.41 -0.51 0.00 0.00 0.00 175.76 175.37 2dun s LEU 83 N 3.61 3.45 0.47 0.00 1.43 -1.26 -1.33 118.68 125.06 2dun s LEU 83 Ca 0.37 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 2dun s LEU 83 Cb -0.11 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 2dun s LEU 83 CO 0.23 -1.64 0.27 -0.76 0.23 0.00 0.00 176.35 174.69 2dun s LEU 84 N 5.89 2.90 0.18 1.79 1.43 -0.28 -0.41 118.68 130.19 2dun s LEU 84 Ca 0.55 -1.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.54 2dun s LEU 84 Cb -0.11 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2dun s LEU 84 CO 0.27 -0.81 0.08 -0.62 0.23 0.00 0.00 176.35 175.50 2dun s ASP 85 N -4.08 5.18 0.63 2.29 -1.08 -1.21 -2.26 116.67 116.14 2dun s ASP 85 Ca 0.35 -0.27 0.20 0.00 -0.52 0.00 0.00 52.55 52.32 2dun s ASP 85 Cb 0.00 -1.24 0.92 0.00 -1.46 0.00 0.00 42.92 41.14 2dun s ASP 85 CO 0.20 0.07 1.47 -0.29 0.52 0.00 0.00 175.17 177.14 2dun h ILE 86 N 2.16 0.07 -0.66 4.11 6.09 -1.87 0.31 117.51 127.73 2dun h ILE 86 Ca -0.47 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.05 2dun h ILE 86 Cb 1.21 0.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.73 2dun h ILE 86 CO 0.61 0.00 0.40 0.28 -3.07 0.00 0.00 178.15 176.37 2dun h SER 87 N 0.00 0.65 0.34 2.19 0.02 -1.93 -1.28 113.55 113.54 2dun h SER 87 Ca 0.18 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2dun h SER 87 Cb 1.79 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.21 2dun h SER 87 CO -0.00 0.45 -0.16 -0.25 -1.14 0.00 0.00 176.83 175.72 2dun h TRP 88 N 0.78 -0.43 0.07 3.45 7.01 -0.76 -2.30 115.95 123.78 2dun h TRP 88 Ca 0.27 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.27 2dun h TRP 88 Cb 0.05 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 2dun h TRP 88 CO -0.05 -0.15 -0.45 1.25 -2.79 0.00 0.00 178.44 176.25 2dun h LEU 89 N -0.66 -1.35 -0.87 0.65 5.85 -1.58 -0.37 115.31 116.98 2dun h LEU 89 Ca -0.05 0.14 0.22 0.00 0.84 0.00 0.00 57.88 59.04 2dun h LEU 89 Cb 0.47 0.50 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 2dun h LEU 89 CO 0.08 -0.46 0.29 0.71 -0.34 0.00 0.00 178.44 178.71 2dun h THR 90 N -0.61 0.39 -0.78 1.05 1.35 -1.30 0.35 112.91 113.36 2dun h THR 90 Ca -0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 2dun h THR 90 Cb 0.63 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.10 2dun h THR 90 CO -0.26 0.05 0.46 -0.33 -0.25 0.00 0.00 175.52 175.19 2dun h GLU 91 N 0.28 1.06 -0.12 4.72 5.08 -0.71 0.33 114.58 125.22 2dun h GLU 91 Ca 0.54 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.77 2dun h GLU 91 Cb 1.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2dun h GLU 91 CO -0.60 0.76 -0.05 0.77 -1.00 0.00 0.00 179.01 178.89 2dun h SER 92 N 1.07 0.24 0.09 1.42 0.02 0.12 -2.58 113.55 113.93 2dun h SER 92 Ca 0.28 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2dun h SER 92 Cb -0.02 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2dun h SER 92 CO -0.05 0.60 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.10 2dun h LEU 93 N -0.11 -0.16 -1.10 5.07 3.38 -0.59 0.41 115.31 122.21 2dun h LEU 93 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dun h LEU 93 Cb 0.50 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dun h LEU 93 CO 0.02 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.06 2dun n GLY 94 N -1.17 -0.92 0.00 0.83 0.00 0.09 -1.18 105.19 102.85 2dun n GLY 94 Ca -0.08 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.74 3.54 0.00 4.61 0.00 -0.58 -4.98 120.51 121.37 2dun n ALA 95 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2dun n ALA 95 Cb 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 2.82 3.15 0.00 0.00 0.13 -4.96 105.19 107.77 2dun n GLY 96 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.78 -0.38 1.61 -2.07 -1.00 -4.63 119.66 113.98 2dun s GLN 97 Ca 0.00 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.24 2dun s GLN 97 Cb 0.00 -0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 31.31 2dun s GLN 97 CO 0.00 0.11 1.71 -1.25 -1.32 0.00 0.00 175.29 174.55 2dun s PRO 98 N -2.20 3.32 0.59 9.60 0.04 -1.26 -4.36 135.00 140.73 2dun s PRO 98 Ca 0.00 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 2dun s PRO 98 Cb -0.07 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2dun s PRO 98 CO 0.01 -1.88 1.11 0.14 0.04 0.00 0.00 177.00 176.42 2dun s VAL 99 N 6.77 3.32 -0.79 -0.36 -7.23 -1.26 -4.92 120.40 115.93 2dun s VAL 99 Ca 0.74 0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 61.37 2dun s VAL 99 Cb -0.19 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2dun s VAL 99 CO 0.32 -0.29 1.92 -2.16 -0.31 0.00 0.00 175.10 174.58 2dun s PRO 100 N -3.70 2.58 0.47 4.82 0.04 -1.26 -4.94 135.00 133.00 2dun s PRO 100 Ca 0.69 0.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.59 2dun s PRO 100 Cb -0.21 -4.81 -0.15 0.00 0.04 0.00 0.00 34.50 29.37 2dun s PRO 100 CO 0.33 -3.14 -0.04 1.55 0.04 0.00 0.00 177.00 175.74 2dun n VAL 101 N 7.63 0.24 -4.38 -0.36 3.14 -1.26 -4.99 118.33 118.35 2dun n VAL 101 Ca 0.33 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 61.02 2dun n VAL 101 Cb 0.49 -0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 33.16 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 -1.01 1.52 0.19 1.45 2.02 -1.26 -5.03 118.70 116.58 2dun s GLU 102 Ca 0.58 -1.82 -0.15 0.00 0.02 0.00 0.00 54.97 53.60 2dun s GLU 102 Cb -0.55 -0.62 0.18 0.00 0.10 0.00 0.00 34.13 33.24 2dun s GLU 102 CO 0.65 -0.21 1.65 0.00 0.02 0.00 0.00 175.26 177.37 2dun h ARG 104 N 0.01 0.49 -0.37 0.00 2.47 -2.02 0.05 114.38 115.02 2dun h ARG 104 Ca 0.26 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.87 2dun h ARG 104 Cb 0.39 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2dun h ARG 104 CO -0.54 0.33 -0.08 0.45 0.56 0.00 0.00 179.97 180.69 2dun h HIS 105 N 0.51 0.80 -2.35 3.04 3.86 -1.36 -3.44 115.15 116.21 2dun h HIS 105 Ca 0.54 -0.17 -0.60 0.00 -1.16 0.00 0.00 60.37 58.97 2dun h HIS 105 Cb 0.94 -0.20 0.07 0.00 1.06 0.00 0.00 27.41 29.28 2dun h HIS 105 CO -0.10 0.86 0.61 0.54 0.86 0.00 0.00 177.93 180.69 2dun n ARG 106 N -4.38 1.86 -3.41 2.45 1.74 0.00 -3.36 116.66 111.56 2dun n ARG 106 Ca -0.02 0.67 -0.44 0.00 -0.77 0.00 0.00 57.85 57.29 2dun n ARG 106 Cb 0.35 -2.33 -0.05 0.00 -1.02 0.00 0.00 32.46 29.40 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 0.45 6.17 0.03 0.55 1.43 0.46 -4.97 118.68 122.80 2dun s LEU 107 Ca 0.74 -2.21 -0.04 0.00 -1.03 0.00 0.00 54.13 51.58 2dun s LEU 107 Cb -0.72 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 2dun s LEU 107 CO 0.46 -0.68 0.06 -0.70 0.23 0.00 0.00 176.35 175.72 2dun s GLU 108 N 0.92 0.53 0.34 1.70 2.12 -1.23 -4.49 118.70 118.60 2dun s GLU 108 Ca 0.10 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.75 2dun s GLU 108 Cb -0.22 0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.31 2dun s GLU 108 CO -0.02 -0.12 -0.03 0.54 -0.54 0.00 0.00 175.26 175.09 2dun s VAL 109 N -2.43 1.81 -0.29 3.70 0.11 -1.26 -4.63 120.40 117.40 2dun s VAL 109 Ca -0.07 -2.09 -0.17 0.00 -2.93 0.00 0.00 61.98 56.73 2dun s VAL 109 Cb -0.02 -2.73 0.18 0.00 -1.53 0.00 0.00 36.38 32.28 2dun s VAL 109 CO -0.04 -0.13 1.17 0.00 -3.33 0.00 0.00 175.10 172.77 2dun s ALA 110 N -2.87 -2.47 -1.00 1.54 0.00 -1.26 -5.03 121.76 110.67 2dun s ALA 110 Ca 0.33 2.02 -0.11 0.00 0.00 0.00 0.00 51.96 54.21 2dun s ALA 110 Cb 0.06 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 2dun s ALA 110 CO 0.16 -0.30 0.79 0.41 0.00 0.00 0.00 175.76 176.81 2dun n GLY 111 N 3.11 -1.13 3.68 0.00 0.00 -1.26 -4.97 105.19 104.63 2dun n GLY 111 Ca -0.17 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.84 0.56 0.45 1.61 0.04 -1.26 -5.08 135.00 126.48 2dun s PRO 112 Ca 0.33 0.57 0.06 0.00 0.04 0.00 0.00 61.00 61.99 2dun s PRO 112 Cb -0.09 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dun s PRO 112 CO 0.81 -2.65 0.11 -0.98 0.04 0.00 0.00 177.00 174.33 2dun s ARG 113 N -4.96 2.14 -0.11 4.56 3.03 -1.26 -5.16 118.95 117.20 2dun s ARG 113 Ca 0.65 -2.07 -0.11 0.00 2.03 0.00 0.00 55.73 56.23 2dun s ARG 113 Cb -0.18 -1.79 0.03 0.00 -1.03 0.00 0.00 34.95 31.98 2dun s ARG 113 CO 0.57 -0.21 0.31 0.21 -1.13 0.00 0.00 175.30 175.06 2dun s LYS 114 N -3.88 0.39 6.89 3.89 2.36 -1.26 -5.07 119.74 123.06 2dun s LYS 114 Ca 0.30 0.36 0.00 0.00 -2.55 0.00 0.00 55.97 54.09 2dun s LYS 114 Cb 0.05 0.19 0.00 0.00 -1.05 0.00 0.00 37.83 37.01 2dun s LYS 114 CO 0.17 -0.06 0.00 0.41 1.55 0.00 0.00 175.35 177.42 2dun n GLY 115 N 2.74 2.18 2.44 5.54 0.00 -1.26 -4.82 105.19 112.01 2dun n GLY 115 Ca -0.14 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 5.63 -2.51 -4.32 1.61 -0.04 -1.26 -5.09 135.00 129.03 2dun n PRO 116 Ca 0.00 -1.22 -0.19 0.00 -0.04 0.00 0.00 63.50 62.05 2dun n PRO 116 Cb 0.00 -1.14 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 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 2.16 -0.18 1.53 2.34 -1.26 -5.03 118.68 118.23 2dun s LEU 117 Ca 0.49 -0.42 -0.27 0.00 0.06 0.00 0.00 54.13 53.99 2dun s LEU 117 Cb -0.05 -0.53 0.07 0.00 -0.56 0.00 0.00 46.19 45.13 2dun s LEU 117 CO 0.38 0.02 0.72 -0.44 -1.06 0.00 0.00 176.35 175.97 2dun s SER 118 N -1.05 -0.70 0.02 1.48 0.01 -1.26 -5.07 113.70 107.14 2dun s SER 118 Ca 0.00 1.12 -0.22 0.00 1.31 0.00 0.00 55.95 58.17 2dun s SER 118 Cb -0.07 1.06 -0.16 0.00 0.21 0.00 0.00 66.02 67.06 2dun s SER 118 CO 0.01 -0.39 1.33 1.55 0.41 0.00 0.00 173.24 176.15 2dun h PRO 119 N 4.15 0.26 0.00 12.44 0.13 -2.08 -3.49 132.00 143.41 2dun h PRO 119 Ca -0.28 -0.14 0.16 0.00 -0.87 0.00 0.00 66.00 64.87 2dun h PRO 119 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2dun h PRO 119 CO 0.19 0.67 0.50 0.00 -0.23 0.00 0.00 178.00 179.13 2dun n ALA 120 N -2.40 -2.19 -2.54 -0.56 0.00 -1.26 -5.17 120.51 106.40 2dun n ALA 120 Ca -0.07 -0.72 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 2dun n ALA 120 Cb 0.33 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.89 2.77 -0.16 0.00 -0.11 -1.26 -5.12 118.94 112.16 2dun s TRP 121 Ca 0.18 -0.12 -0.14 0.00 1.22 0.00 0.00 56.10 57.25 2dun s TRP 121 Cb -0.02 -1.57 0.04 0.00 -1.50 0.00 0.00 33.47 30.42 2dun s TRP 121 CO 0.03 0.31 0.43 -1.64 -4.62 0.00 0.00 176.95 171.46 2dun s MET 122 N -1.29 0.49 1.24 5.86 -1.94 -1.26 -5.17 119.30 117.22 2dun s MET 122 Ca 0.15 0.63 -0.21 0.00 -1.71 0.00 0.00 55.69 54.55 2dun s MET 122 Cb -0.11 0.21 0.31 0.00 2.01 0.00 0.00 34.83 37.25 2dun s MET 122 CO 0.06 -0.07 1.10 -0.35 -0.01 0.00 0.00 175.02 175.74 2dun n PRO 123 N 3.04 -3.16 -0.10 2.03 -0.04 -1.26 -5.01 135.00 130.50 2dun n PRO 123 Ca -0.15 -1.76 -0.11 0.00 -0.04 0.00 0.00 63.50 61.44 2dun n PRO 123 Cb 0.57 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 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 -4.88 1.48 -0.15 0.55 0.00 -1.26 -4.35 120.51 111.91 2dun n ALA 124 Ca -0.21 -1.26 -0.08 0.00 0.00 0.00 0.00 53.44 51.89 2dun n ALA 124 Cb 0.59 -0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.86 0.84 -2.86 0.00 4.11 -1.26 -4.77 117.16 110.36 2dun n TYR 125 Ca -0.34 -1.20 -0.44 0.00 -0.00 0.00 0.00 57.90 55.93 2dun n TYR 125 Cb 1.13 -0.59 -0.01 0.00 -0.00 0.00 0.00 39.34 39.86 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 -0.95 3.61 0.09 -3.48 0.00 -1.26 -4.97 121.76 114.81 2dun s ALA 126 Ca 0.16 -3.02 0.06 0.00 0.00 0.00 0.00 51.96 49.16 2dun s ALA 126 Cb 0.13 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 2dun s ALA 126 CO 0.01 -2.98 -0.16 0.00 0.00 0.00 0.00 175.76 172.64 2dun s SER 128 N -2.00 -0.92 -0.68 0.00 0.01 -1.26 -5.11 113.70 103.75 2dun s SER 128 Ca 0.03 1.43 0.03 0.00 1.31 0.00 0.00 55.95 58.75 2dun s SER 128 Cb -0.08 1.99 0.17 0.00 0.21 0.00 0.00 66.02 68.30 2dun s SER 128 CO 0.03 -0.22 0.47 -0.83 0.41 0.00 0.00 173.24 173.10 2dun s GLY 129 N 2.71 2.81 -0.87 3.44 0.00 -1.26 -5.04 107.32 109.12 2dun s GLY 129 Ca -0.05 -3.66 -0.25 0.00 0.00 0.00 0.00 44.72 40.75 2dun s GLY 129 CO -0.18 1.08 1.94 2.56 0.00 0.00 0.00 173.10 178.50 2dun s PRO 130 N -1.06 2.56 0.08 2.90 0.04 -1.26 -4.90 135.00 133.37 2dun s PRO 130 Ca 0.23 -0.18 -0.12 0.00 0.04 0.00 0.00 61.00 60.97 2dun s PRO 130 Cb -0.11 -4.98 0.01 0.00 0.04 0.00 0.00 34.50 29.46 2dun s PRO 130 CO -0.11 -3.30 0.27 -1.54 0.04 0.00 0.00 177.00 172.36 2dun s SER 131 N 8.05 -0.04 0.09 6.66 1.04 -1.26 -5.09 113.70 123.14 2dun s SER 131 Ca 0.70 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2dun s SER 131 Cb -0.07 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dun s SER 131 CO 0.02 -0.71 0.00 -0.24 0.98 0.00 0.00 173.24 173.28 2dun n SER 132 N 0.13 0.76 0.00 7.02 2.88 -1.26 -5.32 113.62 117.84 2dun n SER 132 Ca -0.17 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2dun n SER 132 Cb 0.62 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2dun n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42