#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dun n SER 2 N 0.00 -2.68 -0.00 1.61 7.64 -1.26 -5.00 113.62 113.92 2dun n SER 2 Ca 0.00 0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 2dun n SER 2 Cb 0.00 -0.97 -0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2dun n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dun n SER 3 N -0.52 0.55 0.00 6.43 7.64 -1.26 -5.16 113.62 121.30 2dun n SER 3 Ca 0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2dun n SER 3 Cb 0.60 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2dun n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dun n GLY 4 N 2.62 -0.82 3.17 0.23 0.00 -1.26 -5.17 105.19 103.96 2dun n GLY 4 Ca -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.00 0.14 -0.29 1.61 0.01 -1.26 -5.14 113.70 104.76 2dun s SER 5 Ca 0.00 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.70 2dun s SER 5 Cb 0.00 0.29 0.09 0.00 0.21 0.00 0.00 66.02 66.61 2dun s SER 5 CO 0.00 -0.61 0.05 -0.55 0.41 0.00 0.00 173.24 172.54 2dun s SER 6 N -2.45 4.10 0.28 2.44 0.15 -1.26 -4.99 113.70 111.97 2dun s SER 6 Ca -0.00 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.03 2dun s SER 6 Cb 0.02 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2dun s SER 6 CO -0.07 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2dun n GLY 7 N 4.68 0.46 3.28 9.45 0.00 -1.26 -5.04 105.19 116.76 2dun n GLY 7 Ca -0.03 -1.87 -0.45 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.00 6.14 -0.18 1.61 0.01 -1.26 -4.89 113.70 114.13 2dun s SER 8 Ca 0.00 -2.03 -0.30 0.00 1.31 0.00 0.00 55.95 54.93 2dun s SER 8 Cb 0.00 -2.15 0.14 0.00 0.21 0.00 0.00 66.02 64.22 2dun s SER 8 CO 0.00 -0.75 1.07 0.28 0.41 0.00 0.00 173.24 174.26 2dun s THR 9 N 1.21 0.00 0.25 1.44 -1.32 -1.26 -5.04 115.64 110.93 2dun s THR 9 Ca 0.07 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.49 2dun s THR 9 Cb -0.25 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.03 2dun s THR 9 CO -0.00 0.00 1.63 0.03 -2.21 0.00 0.00 174.62 174.07 2dun h ARG 10 N 2.40 0.10 -2.77 7.08 2.47 -1.94 -3.28 114.38 118.44 2dun h ARG 10 Ca -0.16 -0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 57.96 2dun h ARG 10 Cb 1.17 -0.02 -0.39 0.00 -1.65 0.00 0.00 29.97 29.08 2dun h ARG 10 CO 0.29 0.06 -0.80 -0.06 0.56 0.00 0.00 179.97 180.02 2dun s PHE 11 N -6.10 1.38 -2.00 3.04 0.08 -1.21 -4.96 117.98 108.21 2dun s PHE 11 Ca -0.13 -2.07 0.11 0.00 0.12 0.00 0.00 56.93 54.95 2dun s PHE 11 Cb 0.23 -1.40 0.65 0.00 -0.57 0.00 0.00 43.02 41.93 2dun s PHE 11 CO 0.76 -0.80 1.08 -0.35 -0.10 0.00 0.00 175.22 175.81 2dun n PRO 12 N 3.69 0.48 -0.01 0.24 -0.04 -1.24 -2.03 135.00 136.09 2dun n PRO 12 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2dun n PRO 12 Cb 0.37 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 2dun n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dun n GLY 13 N -0.03 0.05 3.00 0.55 0.00 -1.26 -4.86 105.19 102.64 2dun n GLY 13 Ca 0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2dun n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dun s VAL 14 N -1.13 1.43 -0.14 1.61 1.01 -0.86 -5.01 120.40 117.30 2dun s VAL 14 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2dun s VAL 14 Cb 0.12 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2dun s VAL 14 CO 0.17 0.43 -0.14 0.00 0.00 0.00 0.00 175.10 175.57 2dun s ALA 15 N 1.43 1.82 -0.03 5.51 0.00 -1.26 -3.51 121.76 125.71 2dun s ALA 15 Ca 0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2dun s ALA 15 Cb -0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2dun s ALA 15 CO -0.08 -0.37 0.06 0.42 0.00 0.00 0.00 175.76 175.79 2dun s ILE 16 N 1.47 4.67 -0.05 0.00 1.01 -0.91 -0.09 121.20 127.31 2dun s ILE 16 Ca 0.04 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.43 2dun s ILE 16 Cb -0.13 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2dun s ILE 16 CO -0.10 0.44 -0.23 -0.47 0.00 0.00 0.00 174.94 174.58 2dun s TYR 17 N -1.10 2.20 -0.22 3.97 5.04 -0.06 -2.93 117.35 124.25 2dun s TYR 17 Ca 0.20 -0.60 -0.07 0.00 -2.44 0.00 0.00 57.07 54.16 2dun s TYR 17 Cb -0.12 -1.44 -0.03 0.00 0.35 0.00 0.00 41.96 40.72 2dun s TYR 17 CO 0.10 -0.17 0.05 -0.51 -1.34 0.00 0.00 175.55 173.69 2dun s LEU 18 N -0.20 3.51 -0.26 6.97 1.43 -1.26 -2.02 118.68 126.84 2dun s LEU 18 Ca -0.01 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 2dun s LEU 18 Cb -0.12 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2dun s LEU 18 CO 0.02 0.05 1.17 -0.69 0.23 0.00 0.00 176.35 177.13 2dun s VAL 19 N 1.13 4.40 0.13 -1.59 1.01 -1.25 -4.94 120.40 119.29 2dun s VAL 19 Ca 0.04 1.64 -0.32 0.00 0.00 0.00 0.00 61.98 63.34 2dun s VAL 19 Cb -0.14 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2dun s VAL 19 CO 0.03 -0.33 1.53 -0.33 0.00 0.00 0.00 175.10 176.00 2dun h GLU 20 N 8.28 -0.28 -7.34 2.72 4.39 -1.97 -3.38 114.58 117.00 2dun h GLU 20 Ca -0.23 0.02 -0.47 0.00 0.34 0.00 0.00 59.36 59.02 2dun h GLU 20 Cb 1.08 0.06 0.15 0.00 -0.10 0.00 0.00 28.75 29.94 2dun h GLU 20 CO 1.01 -0.19 0.23 -1.25 -1.16 0.00 0.00 179.01 177.65 2dun s PRO 21 N -5.54 0.99 -1.57 2.33 0.04 -1.26 -3.84 135.00 126.16 2dun s PRO 21 Ca -0.13 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 2dun s PRO 21 Cb 0.09 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2dun s PRO 21 CO 0.60 -2.40 0.11 0.54 0.04 0.00 0.00 177.00 175.89 2dun n ARG 22 N -3.98 -1.20 0.09 4.56 5.12 -1.26 -4.78 116.66 115.22 2dun n ARG 22 Ca 0.06 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 2dun n ARG 22 Cb 0.56 -3.81 0.00 0.00 -1.16 0.00 0.00 32.46 28.05 2dun n ARG 22 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 2dun n MET 23 N -4.52 0.00 0.00 5.56 1.56 -1.25 -3.55 117.12 114.92 2dun n MET 23 Ca -0.28 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.15 2dun n MET 23 Cb 0.67 -0.24 0.00 0.00 2.15 0.00 0.00 33.22 35.80 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 2.44 1.37 0.11 -5.12 0.00 -1.26 -4.73 105.19 97.99 2dun n GLY 24 Ca 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.24 2dun n GLY 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dun h ARG 25 N 0.00 -0.15 0.06 1.61 2.43 -2.02 -3.37 114.38 112.93 2dun h ARG 25 Ca 0.00 0.01 -0.37 0.00 -0.81 0.00 0.00 59.98 58.81 2dun h ARG 25 Cb 0.00 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2dun h ARG 25 CO 0.00 0.04 -2.19 0.43 -1.51 0.00 0.00 179.97 176.73 2dun n SER 26 N -4.87 2.04 -0.27 -3.80 7.64 -1.26 -4.32 113.62 108.79 2dun n SER 26 Ca -0.03 0.08 0.27 0.00 1.01 0.00 0.00 58.87 60.20 2dun n SER 26 Cb 0.13 -0.68 0.50 0.00 -1.01 0.00 0.00 64.21 63.15 2dun n SER 26 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dun n ARG 27 N -3.49 -0.05 0.08 1.43 1.74 -1.26 0.40 116.66 115.51 2dun n ARG 27 Ca -0.39 1.16 -0.14 0.00 -0.77 0.00 0.00 57.85 57.71 2dun n ARG 27 Cb 0.99 -2.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 2dun n ARG 27 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2dun h ARG 28 N 0.00 -0.58 0.00 5.56 2.43 -1.75 -1.04 114.38 119.00 2dun h ARG 28 Ca 0.71 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.92 2dun h ARG 28 Cb 1.89 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 2dun h ARG 28 CO -0.65 -0.38 -0.00 0.00 -1.51 0.00 0.00 179.97 177.43 2dun h ALA 29 N -0.07 -0.00 -0.99 2.80 0.00 -0.31 -2.88 119.26 117.80 2dun h ALA 29 Ca 0.04 -0.46 0.24 0.00 0.00 0.00 0.00 54.91 54.73 2dun h ALA 29 Cb 0.66 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.26 2dun h ALA 29 CO -0.29 -0.04 -0.10 0.35 0.00 0.00 0.00 179.25 179.17 2dun h PHE 30 N -0.92 -0.28 -0.08 0.00 3.57 -0.34 0.24 116.94 119.15 2dun h PHE 30 Ca -0.00 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2dun h PHE 30 Cb 0.91 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2dun h PHE 30 CO 0.25 -0.43 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.69 2dun h LEU 31 N 0.00 0.25 -0.71 0.59 3.38 -1.30 -1.81 115.31 115.72 2dun h LEU 31 Ca 0.54 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2dun h LEU 31 Cb 1.00 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2dun h LEU 31 CO -0.97 0.76 -0.33 0.74 0.09 0.00 0.00 178.44 178.73 2dun h THR 32 N -0.24 0.14 -0.15 0.22 2.02 -0.35 0.13 112.91 114.67 2dun h THR 32 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 2dun h THR 32 Cb 0.71 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2dun h THR 32 CO 0.03 0.00 -0.29 1.23 0.37 0.00 0.00 175.52 176.86 2dun h GLY 33 N -0.10 0.51 0.09 2.16 0.00 -1.25 -3.21 103.07 101.27 2dun h GLY 33 Ca 0.28 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2dun h GLY 33 CO -0.77 0.54 -0.49 -2.00 0.00 0.00 0.00 176.54 173.82 2dun h LEU 34 N 0.09 -1.49 -0.18 3.11 5.85 -0.36 -2.18 115.31 120.14 2dun h LEU 34 Ca 0.01 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2dun h LEU 34 Cb 0.88 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 2dun h LEU 34 CO 0.07 -0.51 -0.17 0.00 -0.34 0.00 0.00 178.44 177.49 2dun h ALA 35 N -0.60 -0.33 -0.92 1.25 0.00 -0.90 -0.10 119.26 117.66 2dun h ALA 35 Ca -0.00 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.11 2dun h ALA 35 Cb 0.70 0.94 -0.18 0.00 0.00 0.00 0.00 17.79 19.25 2dun h ALA 35 CO -0.28 -0.42 -0.20 0.54 0.00 0.00 0.00 179.25 178.89 2dun n ARG 36 N -3.55 -0.08 -0.33 0.00 1.74 -1.15 0.16 116.66 113.46 2dun n ARG 36 Ca -0.00 1.43 -0.02 0.00 -0.77 0.00 0.00 57.85 58.49 2dun n ARG 36 Cb 0.09 -2.16 0.11 0.00 -1.02 0.00 0.00 32.46 29.48 2dun n ARG 36 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dun h SER 37 N 0.00 0.98 -0.01 0.55 0.87 -0.43 -2.80 113.55 112.71 2dun h SER 37 Ca 0.46 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2dun h SER 37 Cb 0.74 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2dun h SER 37 CO -0.94 0.69 0.00 0.11 -0.53 0.00 0.00 176.83 176.16 2dun h LYS 38 N 1.15 0.02 0.00 2.24 1.79 0.32 -3.47 116.57 118.63 2dun h LYS 38 Ca 0.35 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2dun h LYS 38 Cb -0.05 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2dun h LYS 38 CO -0.10 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 178.94 2dun n GLY 39 N -0.44 0.00 3.19 3.86 0.00 0.16 -4.83 105.19 107.13 2dun n GLY 39 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 1.97 -0.49 1.61 0.08 -1.13 -3.32 117.98 116.71 2dun s PHE 40 Ca 0.00 -0.56 -0.28 0.00 0.12 0.00 0.00 56.93 56.22 2dun s PHE 40 Cb 0.00 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2dun s PHE 40 CO 0.00 -0.17 1.07 0.50 -0.10 0.00 0.00 175.22 176.52 2dun s ARG 41 N -0.08 3.62 -0.12 0.44 3.52 -1.23 -3.04 118.95 122.06 2dun s ARG 41 Ca -0.03 0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 55.76 2dun s ARG 41 Cb -0.12 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 2dun s ARG 41 CO 0.02 -1.37 0.45 0.08 -0.81 0.00 0.00 175.30 173.67 2dun s VAL 42 N 4.26 5.20 0.28 7.11 1.01 -1.26 -2.14 120.40 134.86 2dun s VAL 42 Ca 0.43 0.89 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 2dun s VAL 42 Cb -0.08 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 2dun s VAL 42 CO 0.29 0.34 0.79 -0.76 0.00 0.00 0.00 175.10 175.76 2dun s LEU 43 N 0.57 4.25 0.07 3.92 1.43 -1.15 -4.99 118.68 122.78 2dun s LEU 43 Ca 0.24 1.49 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 2dun s LEU 43 Cb -0.15 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.12 2dun s LEU 43 CO 0.09 -0.07 1.50 -0.78 0.23 0.00 0.00 176.35 177.33 2dun h ASP 44 N 3.01 0.35 0.00 2.29 1.82 -1.97 -3.44 116.42 118.48 2dun h ASP 44 Ca -0.48 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 2dun h ASP 44 Cb 1.19 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2dun h ASP 44 CO 0.65 0.58 0.00 0.00 -1.61 0.00 0.00 179.24 178.86 2dun n ALA 45 N -2.33 2.80 -3.55 -0.78 0.00 -1.26 -5.04 120.51 110.35 2dun n ALA 45 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 2dun n ALA 45 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 2dun n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun s SER 47 N -1.26 -0.19 0.63 0.00 0.01 -1.26 -4.99 113.70 106.64 2dun s SER 47 Ca -0.04 0.13 0.19 0.00 1.31 0.00 0.00 55.95 57.54 2dun s SER 47 Cb -0.00 0.17 0.83 0.00 0.21 0.00 0.00 66.02 67.23 2dun s SER 47 CO 0.03 -0.22 1.40 0.28 0.41 0.00 0.00 173.24 175.14 2dun h SER 48 N 2.18 0.00 -0.68 2.44 0.02 -2.03 0.60 113.55 116.09 2dun h SER 48 Ca -0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2dun h SER 48 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2dun h SER 48 CO 0.25 0.00 0.40 -0.33 -1.14 0.00 0.00 176.83 176.01 2dun h GLU 49 N 0.00 0.93 -3.74 3.45 4.39 -1.95 -3.42 114.58 114.23 2dun h GLU 49 Ca 0.22 -0.09 -0.33 0.00 0.34 0.00 0.00 59.36 59.50 2dun h GLU 49 Cb 2.02 -0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 30.40 2dun h GLU 49 CO -0.00 0.67 1.41 0.00 -1.16 0.00 0.00 179.01 179.93 2dun n ALA 50 N -2.32 0.50 0.06 3.43 0.00 0.21 -4.41 120.51 117.98 2dun n ALA 50 Ca 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.20 2dun n ALA 50 Cb 0.06 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 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 4.95 0.54 -3.70 0.00 -2.24 0.87 -4.10 114.28 110.60 2dun n THR 51 Ca 0.50 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 2dun n THR 51 Cb 0.06 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.33 -0.58 -0.17 4.78 3.76 -0.60 -0.91 115.29 118.24 2dun s HIS 52 Ca -0.03 1.31 -0.02 0.00 -0.15 0.00 0.00 55.06 56.17 2dun s HIS 52 Cb 0.11 0.24 -0.01 0.00 1.11 0.00 0.00 32.58 34.02 2dun s HIS 52 CO 0.83 -0.30 -0.09 0.08 -0.85 0.00 0.00 174.74 174.41 2dun s VAL 53 N 0.78 3.23 -0.17 -0.90 1.01 -0.51 -0.88 120.40 122.97 2dun s VAL 53 Ca -0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2dun s VAL 53 Cb -0.05 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2dun s VAL 53 CO -0.06 0.49 0.27 -0.69 0.00 0.00 0.00 175.10 175.10 2dun s VAL 54 N 0.78 5.32 -0.11 2.92 1.01 -0.86 -1.25 120.40 128.22 2dun s VAL 54 Ca -0.03 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2dun s VAL 54 Cb -0.15 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2dun s VAL 54 CO 0.01 0.39 -0.10 -0.04 0.00 0.00 0.00 175.10 175.37 2dun s MET 55 N 0.50 1.71 0.32 2.72 -1.94 -1.20 -3.93 119.30 117.48 2dun s MET 55 Ca 0.15 -0.34 -0.05 0.00 -1.71 0.00 0.00 55.69 53.73 2dun s MET 55 Cb -0.13 -1.65 -0.05 0.00 2.01 0.00 0.00 34.83 35.02 2dun s MET 55 CO 0.03 -0.20 0.59 -1.21 -0.01 0.00 0.00 175.02 174.22 2dun s GLU 56 N 1.44 3.63 -1.13 2.03 2.02 -1.23 -3.10 118.70 122.36 2dun s GLU 56 Ca 0.01 0.04 -0.14 0.00 0.02 0.00 0.00 54.97 54.89 2dun s GLU 56 Cb -0.13 -2.61 0.14 0.00 0.10 0.00 0.00 34.13 31.63 2dun s GLU 56 CO -0.06 0.16 0.36 0.39 0.02 0.00 0.00 175.26 176.13 2dun n GLU 57 N -1.11 -1.22 -4.78 1.61 -0.58 -1.26 -4.71 120.64 108.59 2dun n GLU 57 Ca -0.01 0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.48 2dun n GLU 57 Cb 0.54 -3.71 -0.12 0.00 -0.57 0.00 0.00 31.44 27.57 2dun n GLU 57 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2dun s THR 58 N -2.49 3.32 1.10 2.62 2.01 -1.26 -5.08 115.64 115.86 2dun s THR 58 Ca 0.50 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 2dun s THR 58 Cb -0.29 -2.33 0.26 0.00 0.01 0.00 0.00 72.50 70.15 2dun s THR 58 CO 0.62 0.59 1.25 -0.44 -0.69 0.00 0.00 174.62 175.95 2dun s SER 59 N -0.77 1.90 0.02 3.53 0.01 -1.26 -4.94 113.70 112.18 2dun s SER 59 Ca 0.12 0.31 -0.18 0.00 1.31 0.00 0.00 55.95 57.51 2dun s SER 59 Cb -0.11 -0.35 -0.24 0.00 0.21 0.00 0.00 66.02 65.53 2dun s SER 59 CO 0.01 -3.49 1.11 0.00 0.41 0.00 0.00 173.24 171.28 2dun h ALA 60 N -2.16 0.07 -0.37 1.44 0.00 -1.91 -3.21 119.26 113.12 2dun h ALA 60 Ca -0.43 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 53.76 2dun h ALA 60 Cb 1.24 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2dun h ALA 60 CO 0.31 0.45 -0.16 1.05 0.00 0.00 0.00 179.25 180.90 2dun h GLU 61 N 0.02 0.76 -0.13 0.00 4.11 -1.87 -2.49 114.58 114.98 2dun h GLU 61 Ca -0.10 -0.32 0.04 0.00 0.07 0.00 0.00 59.36 59.05 2dun h GLU 61 Cb 1.45 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.61 2dun h GLU 61 CO 0.15 0.94 -0.44 0.93 0.07 0.00 0.00 179.01 180.65 2dun h GLU 62 N 0.56 -0.49 0.00 1.06 5.08 -1.94 0.23 114.58 119.08 2dun h GLU 62 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2dun h GLU 62 Cb 0.70 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2dun h GLU 62 CO 0.05 -0.33 0.00 0.00 -1.00 0.00 0.00 179.01 177.73 2dun n ALA 63 N -2.95 -0.22 -0.34 3.43 0.00 -1.21 -0.41 120.51 118.82 2dun n ALA 63 Ca -0.04 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.63 2dun n ALA 63 Cb 0.37 0.26 0.46 0.00 0.00 0.00 0.00 19.45 20.54 2dun n ALA 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2dun h VAL 64 N 0.00 0.34 -0.02 0.00 3.04 -1.43 0.22 116.25 118.40 2dun h VAL 64 Ca 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2dun h VAL 64 Cb 0.00 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.22 2dun h VAL 64 CO 0.00 0.07 0.01 -1.28 -1.01 0.00 0.00 177.57 175.36 2dun h SER 65 N 0.37 0.02 0.90 3.17 0.87 0.35 -2.14 113.55 117.09 2dun h SER 65 Ca 0.72 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.21 2dun h SER 65 Cb 1.61 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2dun h SER 65 CO -0.57 0.07 -0.05 -0.25 -0.53 0.00 0.00 176.83 175.50 2dun h TRP 66 N -0.04 0.00 -0.23 2.24 7.01 0.21 -3.01 115.95 122.14 2dun h TRP 66 Ca 0.01 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2dun h TRP 66 Cb 0.06 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2dun h TRP 66 CO -0.06 0.05 -0.15 0.37 -2.79 0.00 0.00 178.44 175.86 2dun h GLN 67 N 0.00 0.51 -0.72 2.65 4.15 -0.10 -3.07 115.11 118.53 2dun h GLN 67 Ca -0.00 -0.24 0.06 0.00 0.77 0.00 0.00 58.65 59.24 2dun h GLN 67 Cb 0.51 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 2dun h GLN 67 CO 0.01 0.81 0.48 0.93 -1.93 0.00 0.00 178.83 179.12 2dun h GLU 68 N 0.22 0.75 -0.83 1.69 4.39 -1.30 -1.23 114.58 118.28 2dun h GLU 68 Ca 0.05 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.87 2dun h GLU 68 Cb 0.68 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 2dun h GLU 68 CO 0.04 0.50 0.55 0.00 -1.16 0.00 0.00 179.01 178.94 2dun h ARG 69 N 0.78 0.44 0.75 2.33 2.47 -1.58 -2.08 114.38 117.50 2dun h ARG 69 Ca 0.31 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.97 2dun h ARG 69 Cb 0.22 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2dun h ARG 69 CO -0.10 0.29 -0.36 0.00 0.56 0.00 0.00 179.97 180.36 2dun h ARG 70 N 0.46 -0.98 -1.05 0.04 2.47 -1.30 -2.91 114.38 111.12 2dun h ARG 70 Ca 0.42 0.07 0.30 0.00 -1.26 0.00 0.00 59.98 59.50 2dun h ARG 70 Cb 0.93 0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 29.42 2dun h ARG 70 CO -0.15 -0.65 0.74 0.52 0.56 0.00 0.00 179.97 180.99 2dun h MET 71 N -1.23 0.06 -0.62 0.04 2.86 -1.48 1.17 114.93 115.73 2dun h MET 71 Ca -0.10 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2dun h MET 71 Cb 0.78 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 2dun h MET 71 CO 0.17 0.04 0.20 0.00 1.06 0.00 0.00 176.91 178.37 2dun h ALA 72 N 1.49 1.18 -0.26 6.32 0.00 -1.20 -2.92 119.26 123.87 2dun h ALA 72 Ca 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dun h ALA 72 Cb 1.93 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2dun h ALA 72 CO -0.05 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2dun n ALA 73 N -2.45 2.21 -2.60 0.00 0.00 0.13 -5.01 120.51 112.79 2dun n ALA 73 Ca 0.05 -1.24 -0.34 0.00 0.00 0.00 0.00 53.44 51.91 2dun n ALA 73 Cb 0.21 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.18 3.74 0.92 0.00 0.00 0.36 -5.06 121.76 120.54 2dun s ALA 74 Ca 0.20 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2dun s ALA 74 Cb 0.12 -2.23 0.14 0.00 0.00 0.00 0.00 23.12 21.15 2dun s ALA 74 CO 0.12 0.59 1.09 -1.25 0.00 0.00 0.00 175.76 176.31 2dun s PRO 75 N -2.05 1.06 0.62 0.00 0.04 -1.26 -4.88 135.00 128.54 2dun s PRO 75 Ca 0.34 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 2dun s PRO 75 Cb -0.13 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2dun s PRO 75 CO 0.19 -2.36 1.12 -1.25 0.04 0.00 0.00 177.00 174.74 2dun s PRO 76 N -4.94 3.00 0.00 0.56 0.04 -1.26 -3.49 135.00 128.91 2dun s PRO 76 Ca 0.64 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2dun s PRO 76 Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2dun s PRO 76 CO 0.57 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2dun n GLY 77 N -0.29 1.04 3.65 0.56 0.00 -1.26 -4.95 105.19 103.95 2dun n GLY 77 Ca 0.11 0.00 -0.52 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 1.76 4.43 0.44 0.00 2.01 -1.26 -4.97 115.64 118.05 2dun s THR 79 Ca 0.88 1.69 -0.24 0.00 0.31 0.00 0.00 61.69 64.33 2dun s THR 79 Cb -0.90 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 67.40 2dun s THR 79 CO 0.50 0.50 1.17 -2.16 -0.69 0.00 0.00 174.62 173.94 2dun s PRO 80 N -0.97 3.86 0.78 4.92 0.04 -1.26 -5.01 135.00 137.36 2dun s PRO 80 Ca 0.36 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 2dun s PRO 80 Cb -0.23 -2.50 0.06 0.00 0.04 0.00 0.00 34.50 31.87 2dun s PRO 80 CO 0.26 -0.48 1.09 -1.25 0.04 0.00 0.00 177.00 176.66 2dun s PRO 81 N -2.56 2.18 -0.51 0.56 0.04 -1.26 -4.99 135.00 128.47 2dun s PRO 81 Ca 0.61 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 2dun s PRO 81 Cb -0.30 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2dun s PRO 81 CO 0.36 -1.69 0.72 0.00 0.04 0.00 0.00 177.00 176.43 2dun s ALA 82 N -2.90 3.32 -0.18 8.56 0.00 -0.09 -4.88 121.76 125.59 2dun s ALA 82 Ca 0.61 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 2dun s ALA 82 Cb -0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2dun s ALA 82 CO 0.56 -2.08 1.73 -0.51 0.00 0.00 0.00 175.76 175.46 2dun s LEU 83 N 3.03 3.94 0.42 0.00 1.43 -1.26 -1.42 118.68 124.81 2dun s LEU 83 Ca 0.21 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2dun s LEU 83 Cb -0.16 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2dun s LEU 83 CO 0.15 -1.29 0.04 -0.76 0.23 0.00 0.00 176.35 174.72 2dun s LEU 84 N 5.37 2.40 0.16 1.79 1.43 -0.38 -2.85 118.68 126.60 2dun s LEU 84 Ca 0.77 -1.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.42 2dun s LEU 84 Cb -0.29 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 2dun s LEU 84 CO 0.31 -0.68 0.13 1.51 0.23 0.00 0.00 176.35 177.85 2dun s ASP 85 N -3.68 5.52 0.23 2.29 1.47 -1.12 -3.26 116.67 118.12 2dun s ASP 85 Ca 0.26 -0.12 -0.09 0.00 1.18 0.00 0.00 52.55 53.78 2dun s ASP 85 Cb 0.06 -1.45 0.35 0.00 -0.34 0.00 0.00 42.92 41.55 2dun s ASP 85 CO 0.13 0.08 1.66 -0.29 0.68 0.00 0.00 175.17 177.42 2dun h ILE 86 N 2.10 0.44 -0.99 2.11 -0.00 -1.91 -0.21 117.51 119.05 2dun h ILE 86 Ca -0.48 -0.04 0.32 0.00 -0.00 0.00 0.00 64.86 64.66 2dun h ILE 86 Cb 1.20 0.31 -0.18 0.00 -0.00 0.00 0.00 36.82 38.14 2dun h ILE 86 CO 0.63 0.02 0.19 -1.28 -0.00 0.00 0.00 178.15 177.72 2dun h SER 87 N 0.12 -0.23 -0.82 2.19 0.87 -1.95 1.14 113.55 114.88 2dun h SER 87 Ca 0.36 0.27 0.04 0.00 -1.23 0.00 0.00 61.79 61.23 2dun h SER 87 Cb 0.60 0.42 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 2dun h SER 87 CO -0.57 -0.38 0.52 -0.25 -0.53 0.00 0.00 176.83 175.62 2dun h TRP 88 N 0.01 0.97 0.68 2.24 7.01 -1.43 -1.85 115.95 123.57 2dun h TRP 88 Ca 0.68 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.67 2dun h TRP 88 Cb 1.55 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 28.30 2dun h TRP 88 CO -0.34 0.54 -0.34 1.25 -2.79 0.00 0.00 178.44 176.75 2dun h LEU 89 N 0.99 -0.83 -1.15 0.65 5.85 0.13 -1.08 115.31 119.87 2dun h LEU 89 Ca 0.34 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.37 2dun h LEU 89 Cb 0.06 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.19 2dun h LEU 89 CO -0.13 -0.57 0.63 0.71 -0.34 0.00 0.00 178.44 178.74 2dun h THR 90 N -0.93 0.47 -0.65 1.05 1.35 -1.36 0.41 112.91 113.25 2dun h THR 90 Ca -0.09 -0.16 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 2dun h THR 90 Cb 0.72 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 2dun h THR 90 CO 0.14 0.08 0.06 -0.33 -0.25 0.00 0.00 175.52 175.22 2dun h GLU 91 N 0.45 1.10 -0.29 4.72 4.39 -1.07 -1.60 114.58 122.29 2dun h GLU 91 Ca 0.65 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.85 2dun h GLU 91 Cb 1.47 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2dun h GLU 91 CO -0.43 1.04 -0.52 0.77 -1.16 0.00 0.00 179.01 178.71 2dun h SER 92 N 1.02 0.95 0.44 1.42 0.02 0.10 -2.77 113.55 114.73 2dun h SER 92 Ca 0.19 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2dun h SER 92 Cb 0.50 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2dun h SER 92 CO 0.02 1.30 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.73 2dun h LEU 93 N 0.63 -0.50 -1.70 5.07 3.38 -0.68 0.23 115.31 121.73 2dun h LEU 93 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dun h LEU 93 Cb 1.13 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2dun h LEU 93 CO 0.12 -0.29 0.00 1.23 0.09 0.00 0.00 178.44 179.58 2dun h GLY 94 N -0.68 0.00 0.09 0.83 0.00 -1.36 -0.47 103.07 101.48 2dun h GLY 94 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2dun h GLY 94 CO 0.10 0.00 -1.52 0.00 0.00 0.00 0.00 176.54 175.12 2dun n ALA 95 N -1.86 3.56 -0.04 3.60 0.00 -0.88 -4.96 120.51 119.92 2dun n ALA 95 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2dun n ALA 95 Cb 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2dun n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dun n GLY 96 N 1.35 2.62 3.09 0.00 0.00 0.75 -4.96 105.19 108.04 2dun n GLY 96 Ca -0.00 0.00 -0.13 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 0.62 -0.39 1.61 -2.07 -1.02 -4.61 119.66 113.80 2dun s GLN 97 Ca 0.00 -0.88 -0.28 0.00 -1.82 0.00 0.00 55.36 52.37 2dun s GLN 97 Cb 0.00 -0.34 -0.01 0.00 -1.09 0.00 0.00 33.01 31.57 2dun s GLN 97 CO 0.00 0.05 1.72 -1.25 -1.32 0.00 0.00 175.29 174.49 2dun s PRO 98 N -2.00 3.28 0.59 9.60 0.04 -1.26 -4.43 135.00 140.81 2dun s PRO 98 Ca -0.05 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 2dun s PRO 98 Cb -0.07 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 2dun s PRO 98 CO -0.00 -1.93 1.12 0.14 0.04 0.00 0.00 177.00 176.38 2dun s VAL 99 N 6.89 3.18 -0.76 -0.36 -7.23 -1.26 -4.92 120.40 115.94 2dun s VAL 99 Ca 0.74 0.66 -0.26 0.00 -1.81 0.00 0.00 61.98 61.31 2dun s VAL 99 Cb -0.19 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 2dun s VAL 99 CO 0.31 -0.23 1.91 -2.16 -0.31 0.00 0.00 175.10 174.62 2dun s PRO 100 N -3.59 2.59 0.28 4.82 0.04 -1.26 -4.93 135.00 132.94 2dun s PRO 100 Ca 0.71 0.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 2dun s PRO 100 Cb -0.23 -4.73 -0.15 0.00 0.04 0.00 0.00 34.50 29.43 2dun s PRO 100 CO 0.33 -3.06 0.27 1.55 0.04 0.00 0.00 177.00 176.13 2dun n VAL 101 N 7.55 1.21 -4.72 -0.36 3.14 -1.26 -4.98 118.33 118.91 2dun n VAL 101 Ca 0.30 -0.46 -0.32 0.00 -2.96 0.00 0.00 64.34 60.90 2dun n VAL 101 Cb 0.49 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.19 2dun n VAL 101 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2dun s GLU 102 N -0.93 2.14 0.33 1.45 -1.05 -1.26 -5.01 118.70 114.37 2dun s GLU 102 Ca 0.57 -2.33 0.02 0.00 -0.15 0.00 0.00 54.97 53.08 2dun s GLU 102 Cb -0.72 -1.56 0.58 0.00 -0.44 0.00 0.00 34.13 31.98 2dun s GLU 102 CO 0.55 -0.29 1.93 0.00 0.95 0.00 0.00 175.26 178.41 2dun h ARG 104 N 0.75 0.00 0.00 0.00 2.43 -2.01 -3.11 114.38 112.43 2dun h ARG 104 Ca 0.19 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2dun h ARG 104 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2dun h ARG 104 CO -0.02 0.00 -0.42 0.45 -1.51 0.00 0.00 179.97 178.46 2dun h HIS 105 N 0.00 0.00 -2.32 2.20 3.86 -1.60 -3.48 115.15 113.82 2dun h HIS 105 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2dun h HIS 105 Cb 0.39 0.00 0.23 0.00 1.06 0.00 0.00 27.41 29.09 2dun h HIS 105 CO 0.00 1.07 -1.56 0.54 0.86 0.00 0.00 177.93 178.84 2dun n ARG 106 N -4.56 -0.06 -3.81 2.45 1.74 -0.91 -2.78 116.66 108.73 2dun n ARG 106 Ca -0.16 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.61 2dun n ARG 106 Cb 0.51 -1.19 -0.15 0.00 -1.02 0.00 0.00 32.46 30.60 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 5.88 2.54 0.13 0.55 1.43 -1.13 -4.81 118.68 123.26 2dun s LEU 107 Ca 0.44 -1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 51.87 2dun s LEU 107 Cb -0.20 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.05 2dun s LEU 107 CO 0.79 -0.37 0.34 -0.70 0.23 0.00 0.00 176.35 176.65 2dun s GLU 108 N 1.50 1.05 0.33 1.70 2.12 -0.95 -2.93 118.70 121.53 2dun s GLU 108 Ca 0.06 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2dun s GLU 108 Cb -0.18 0.43 -0.06 0.00 0.26 0.00 0.00 34.13 34.58 2dun s GLU 108 CO -0.17 -0.40 0.07 0.54 -0.54 0.00 0.00 175.26 174.76 2dun s VAL 109 N -3.85 1.06 -0.29 3.70 0.11 -1.26 -4.34 120.40 115.53 2dun s VAL 109 Ca 0.06 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 56.91 2dun s VAL 109 Cb 0.03 -2.73 0.18 0.00 -1.53 0.00 0.00 36.38 32.33 2dun s VAL 109 CO -0.09 0.00 1.22 0.00 -3.33 0.00 0.00 175.10 172.89 2dun s ALA 110 N -3.34 -2.36 -0.67 1.54 0.00 -1.26 -5.02 121.76 110.65 2dun s ALA 110 Ca 0.35 1.93 -0.09 0.00 0.00 0.00 0.00 51.96 54.15 2dun s ALA 110 Cb 0.08 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.42 2dun s ALA 110 CO 0.15 -0.25 0.64 0.41 0.00 0.00 0.00 175.76 176.72 2dun n GLY 111 N 2.68 -1.04 3.76 0.00 0.00 -1.26 -4.90 105.19 104.43 2dun n GLY 111 Ca -0.15 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 2dun n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 112 N -3.54 4.44 -1.22 1.61 0.04 -1.26 -3.42 135.00 131.65 2dun s PRO 112 Ca 0.11 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 2dun s PRO 112 Cb -0.02 -3.14 0.13 0.00 0.04 0.00 0.00 34.50 31.51 2dun s PRO 112 CO 0.83 -0.11 0.32 2.89 0.04 0.00 0.00 177.00 180.97 2dun n ARG 113 N 1.53 -0.84 -3.99 4.56 1.85 -1.26 -4.85 116.66 113.67 2dun n ARG 113 Ca 0.02 0.09 -0.08 0.00 -1.00 0.00 0.00 57.85 56.88 2dun n ARG 113 Cb 0.43 -3.00 -0.09 0.00 -1.05 0.00 0.00 32.46 28.75 2dun n ARG 113 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2dun s LYS 114 N -5.34 0.68 -0.52 2.89 -0.14 -1.22 -5.10 119.74 111.00 2dun s LYS 114 Ca 0.45 -1.06 0.07 0.00 -1.36 0.00 0.00 55.97 54.07 2dun s LYS 114 Cb -0.26 0.26 0.30 0.00 -1.68 0.00 0.00 37.83 36.44 2dun s LYS 114 CO 0.69 -0.17 0.76 0.41 -0.76 0.00 0.00 175.35 176.28 2dun n GLY 115 N 0.16 4.43 3.51 -3.33 0.00 -1.26 -4.94 105.19 103.77 2dun n GLY 115 Ca -0.15 -2.32 -0.30 0.00 0.00 0.00 0.00 46.02 43.24 2dun n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dun n PRO 116 N 0.51 -3.17 -4.51 1.61 -0.04 -1.26 -5.06 135.00 123.08 2dun n PRO 116 Ca 0.28 -1.75 -0.32 0.00 -0.04 0.00 0.00 63.50 61.66 2dun n PRO 116 Cb 0.48 -1.65 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 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 3.10 -0.69 1.53 2.34 -1.26 -5.08 118.68 118.62 2dun s LEU 117 Ca 0.71 -0.16 0.05 0.00 0.06 0.00 0.00 54.13 54.80 2dun s LEU 117 Cb -0.07 -1.77 0.18 0.00 -0.56 0.00 0.00 46.19 43.97 2dun s LEU 117 CO 0.55 0.29 0.51 -1.20 -1.06 0.00 0.00 176.35 175.44 2dun n SER 118 N 1.67 2.97 -4.56 1.48 7.64 -1.26 -5.04 113.62 116.51 2dun n SER 118 Ca -0.16 -3.21 -0.27 0.00 1.01 0.00 0.00 58.87 56.24 2dun n SER 118 Cb 0.53 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 2dun n SER 118 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dun s PRO 119 N -1.51 2.56 -0.29 1.43 0.04 -1.26 -4.85 135.00 131.12 2dun s PRO 119 Ca 0.27 -0.24 -0.16 0.00 0.04 0.00 0.00 61.00 60.91 2dun s PRO 119 Cb -0.02 -5.03 0.15 0.00 0.04 0.00 0.00 34.50 29.64 2dun s PRO 119 CO -0.16 -3.34 0.97 0.00 0.04 0.00 0.00 177.00 174.51 2dun s ALA 120 N 10.02 -2.32 0.53 8.56 0.00 -1.26 -5.18 121.76 132.12 2dun s ALA 120 Ca 0.70 2.19 0.09 0.00 0.00 0.00 0.00 51.96 54.94 2dun s ALA 120 Cb -0.07 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.36 2dun s ALA 120 CO 0.00 -0.43 0.69 1.67 0.00 0.00 0.00 175.76 177.69 2dun s TRP 121 N 1.51 1.78 -0.04 0.00 1.48 -1.26 -5.13 118.94 117.29 2dun s TRP 121 Ca -0.08 -0.66 0.05 0.00 -1.06 0.00 0.00 56.10 54.35 2dun s TRP 121 Cb -0.04 -2.22 -0.02 0.00 -1.16 0.00 0.00 33.47 30.03 2dun s TRP 121 CO -0.15 -0.89 -0.17 -1.64 -4.06 0.00 0.00 176.95 170.03 2dun s MET 122 N -4.54 2.37 0.85 3.25 -1.94 -1.26 -5.13 119.30 112.91 2dun s MET 122 Ca 0.57 -0.77 -0.11 0.00 -1.71 0.00 0.00 55.69 53.67 2dun s MET 122 Cb -0.06 -2.28 0.10 0.00 2.01 0.00 0.00 34.83 34.60 2dun s MET 122 CO 0.36 0.60 1.09 -1.25 -0.01 0.00 0.00 175.02 175.81 2dun s PRO 123 N -0.75 1.59 -0.21 2.03 0.04 -1.26 -5.01 135.00 131.44 2dun s PRO 123 Ca 0.11 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.12 2dun s PRO 123 Cb -0.10 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 2dun s PRO 123 CO 0.00 -2.04 -0.16 0.00 0.04 0.00 0.00 177.00 174.85 2dun n ALA 124 N -3.76 1.55 -0.27 8.56 0.00 -1.26 -4.53 120.51 120.80 2dun n ALA 124 Ca 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 53.44 52.63 2dun n ALA 124 Cb 0.54 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 0.71 -0.96 0.00 -0.00 -2.08 -3.42 116.97 111.22 2dun h TYR 125 Ca -0.47 0.03 -0.79 0.00 -0.00 0.00 0.00 58.73 57.50 2dun h TYR 125 Cb 1.76 -0.20 0.03 0.00 -0.00 0.00 0.00 36.73 38.32 2dun h TYR 125 CO 0.02 0.24 0.27 0.00 -0.00 0.00 0.00 178.16 178.70 2dun n ALA 126 N -2.41 -2.74 -2.31 0.10 0.00 -1.26 -4.95 120.51 106.95 2dun n ALA 126 Ca 0.13 0.54 -0.08 0.00 0.00 0.00 0.00 53.44 54.03 2dun n ALA 126 Cb 0.31 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.75 6.51 0.00 0.00 0.01 -1.26 -4.97 113.70 111.23 2dun s SER 128 Ca 0.04 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2dun s SER 128 Cb 0.05 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2dun s SER 128 CO -0.09 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2dun n GLY 129 N 3.51 -1.65 3.73 3.44 0.00 -1.26 -5.15 105.19 107.81 2dun n GLY 129 Ca -0.09 0.91 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 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 4.38 0.74 1.61 0.04 -1.26 -5.02 135.00 135.49 2dun s PRO 130 Ca 0.00 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2dun s PRO 130 Cb 0.00 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.36 2dun s PRO 130 CO 0.00 -0.29 1.08 -1.12 0.04 0.00 0.00 177.00 176.70 2dun s SER 131 N 0.54 4.98 -0.03 6.66 0.01 -1.26 -5.08 113.70 119.52 2dun s SER 131 Ca 0.58 1.47 -0.18 0.00 1.31 0.00 0.00 55.95 59.14 2dun s SER 131 Cb -0.36 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.61 2dun s SER 131 CO 0.36 -1.68 0.38 -0.94 0.41 0.00 0.00 173.24 171.77 2dun s SER 132 N -3.85 -0.29 0.00 2.44 1.04 -1.26 -5.36 113.70 106.43 2dun s SER 132 Ca 0.59 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2dun s SER 132 Cb -0.14 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2dun s SER 132 CO 0.55 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.92