#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydg s ALA 3 N 0.00 3.71 0.40 2.41 0.00 -1.26 -4.97 121.76 122.05 1ydg s ALA 3 Ca 0.00 1.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.97 1ydg s ALA 3 Cb 0.00 -3.66 -0.12 0.00 0.00 0.00 0.00 23.12 19.34 1ydg s ALA 3 CO 0.00 -0.95 0.76 -2.30 0.00 0.00 0.00 175.76 173.27 1ydg n PRO 4 N 4.90 0.89 -1.63 0.00 -0.02 -1.26 -4.92 135.00 132.96 1ydg n PRO 4 Ca 0.15 0.32 -0.49 0.00 -2.02 0.00 0.00 63.50 61.46 1ydg n PRO 4 Cb 0.40 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1ydg n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ydg n VAL 5 N -0.59 0.10 -3.00 -1.45 0.31 -1.26 -4.58 118.33 107.85 1ydg n VAL 5 Ca 0.11 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 1ydg n VAL 5 Cb 0.38 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.07 1ydg n VAL 5 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ydg s LYS 6 N 0.58 3.37 -0.23 5.55 1.02 -1.26 0.28 119.74 129.06 1ydg s LYS 6 Ca 0.80 -0.18 -0.05 0.00 0.02 0.00 0.00 55.97 56.56 1ydg s LYS 6 Cb -0.81 -3.95 -0.01 0.00 -0.52 0.00 0.00 37.83 32.54 1ydg s LYS 6 CO 0.43 -1.10 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.57 1ydg s LEU 7 N 3.18 3.01 -0.23 3.17 2.96 0.11 -0.85 118.68 130.03 1ydg s LEU 7 Ca 0.28 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1ydg s LEU 7 Cb -0.13 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1ydg s LEU 7 CO 0.22 -0.02 0.08 0.00 -1.32 0.00 0.00 176.35 175.31 1ydg s ALA 8 N 1.51 3.28 -0.38 5.97 0.00 -0.03 -0.22 121.76 131.89 1ydg s ALA 8 Ca 0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 1ydg s ALA 8 Cb -0.14 -2.07 0.07 0.00 0.00 0.00 0.00 23.12 20.98 1ydg s ALA 8 CO -0.02 -0.27 0.16 0.42 0.00 0.00 0.00 175.76 176.05 1ydg s ILE 9 N 1.22 3.62 -0.24 0.00 1.01 -0.05 -1.13 121.20 125.63 1ydg s ILE 9 Ca 0.05 -1.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.10 1ydg s ILE 9 Cb -0.14 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1ydg s ILE 9 CO 0.04 -0.42 0.03 -0.69 0.00 0.00 0.00 174.94 173.90 1ydg s VAL 10 N 1.30 3.99 0.02 2.92 1.01 0.47 -0.90 120.40 129.21 1ydg s VAL 10 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1ydg s VAL 10 Cb -0.22 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1ydg s VAL 10 CO -0.00 0.37 -0.08 0.72 0.00 0.00 0.00 175.10 176.10 1ydg s PHE 11 N 1.57 0.72 -0.08 5.22 -0.12 -0.65 -1.07 117.98 123.55 1ydg s PHE 11 Ca 0.06 -0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 56.58 1ydg s PHE 11 Cb -0.15 -0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 1ydg s PHE 11 CO 0.01 -0.03 0.14 -0.47 -0.05 0.00 0.00 175.22 174.82 1ydg s TYR 12 N -0.78 3.54 -0.11 3.49 5.04 -0.26 -0.12 117.35 128.16 1ydg s TYR 12 Ca -0.03 0.45 -0.05 0.00 -2.44 0.00 0.00 57.07 55.00 1ydg s TYR 12 Cb -0.06 -1.89 0.05 0.00 0.35 0.00 0.00 41.96 40.40 1ydg s TYR 12 CO 0.00 0.69 0.24 0.45 -1.34 0.00 0.00 175.55 175.60 1ydg s SER 13 N -1.28 -0.17 -0.08 4.32 0.15 -1.26 -4.36 113.70 111.02 1ydg s SER 13 Ca 0.18 0.52 -0.00 0.00 0.70 0.00 0.00 55.95 57.35 1ydg s SER 13 Cb -0.12 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1ydg s SER 13 CO 0.08 -0.17 0.01 0.28 1.20 0.00 0.00 173.24 174.64 1ydg h SER 14 N 7.34 -0.01 -0.02 5.45 0.02 -1.99 -3.43 113.55 120.92 1ydg h SER 14 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1ydg h SER 14 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ydg h SER 14 CO 0.35 0.39 -0.15 0.35 -1.14 0.00 0.00 176.83 176.62 1ydg n THR 15 N -4.21 0.00 0.00 -2.27 -2.24 -1.26 -4.32 114.28 99.98 1ydg n THR 15 Ca -0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1ydg n THR 15 Cb 0.00 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1ydg n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ydg n GLY 16 N 1.05 1.88 0.28 3.38 0.00 -1.26 -4.79 105.19 105.73 1ydg n GLY 16 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1ydg n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ydg h THR 17 N 0.00 0.50 -0.62 2.61 2.02 -1.96 -1.65 112.91 113.82 1ydg h THR 17 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ydg h THR 17 Cb 0.00 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1ydg h THR 17 CO 0.00 0.00 0.37 1.23 0.37 0.00 0.00 175.52 177.49 1ydg h GLY 18 N -0.63 0.89 0.85 2.16 0.00 -1.96 -1.71 103.07 102.67 1ydg h GLY 18 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 46.94 1ydg h GLY 18 CO 0.06 0.35 0.13 -1.82 0.00 0.00 0.00 176.54 175.26 1ydg h TYR 19 N 0.85 0.24 -0.26 5.60 3.20 -1.77 0.13 116.97 124.96 1ydg h TYR 19 Ca 0.22 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1ydg h TYR 19 Cb -0.03 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1ydg h TYR 19 CO 0.00 0.13 0.16 0.00 -1.64 0.00 0.00 178.16 176.81 1ydg h ALA 20 N 1.15 0.33 -0.46 1.82 0.00 -0.99 -0.59 119.26 120.52 1ydg h ALA 20 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ydg h ALA 20 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ydg h ALA 20 CO -0.09 -0.17 0.29 0.52 0.00 0.00 0.00 179.25 179.80 1ydg h MET 21 N 0.33 0.58 -0.25 0.00 2.86 -1.16 -2.04 114.93 115.25 1ydg h MET 21 Ca 0.09 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 1ydg h MET 21 Cb 0.01 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1ydg h MET 21 CO -0.02 0.38 -0.32 0.00 1.06 0.00 0.00 176.91 178.02 1ydg h ALA 22 N 1.18 0.97 -0.43 6.32 0.00 -0.57 -1.12 119.26 125.62 1ydg h ALA 22 Ca 0.17 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ydg h ALA 22 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ydg h ALA 22 CO -0.05 0.60 0.26 1.96 0.00 0.00 0.00 179.25 182.02 1ydg h GLN 23 N 0.45 0.58 -0.50 0.00 4.20 -0.93 0.66 115.11 119.57 1ydg h GLN 23 Ca 0.05 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1ydg h GLN 23 Cb 0.78 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1ydg h GLN 23 CO 0.06 0.43 0.29 1.49 -0.67 0.00 0.00 178.83 180.44 1ydg h GLU 24 N 0.56 0.56 -0.63 1.46 4.57 -1.13 0.29 114.58 120.26 1ydg h GLU 24 Ca 0.15 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 1ydg h GLU 24 Cb 0.00 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 1ydg h GLU 24 CO -0.03 0.37 0.36 0.00 -1.18 0.00 0.00 179.01 178.53 1ydg h ALA 25 N 1.24 0.84 -0.53 2.92 0.00 -0.98 -1.36 119.26 121.38 1ydg h ALA 25 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1ydg h ALA 25 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ydg h ALA 25 CO -0.11 0.05 0.13 0.00 0.00 0.00 0.00 179.25 179.32 1ydg h ALA 26 N 1.32 0.70 -0.22 0.00 0.00 -0.10 -1.21 119.26 119.75 1ydg h ALA 26 Ca 0.28 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ydg h ALA 26 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ydg h ALA 26 CO -0.16 0.40 0.13 0.93 0.00 0.00 0.00 179.25 180.55 1ydg h GLU 27 N 0.74 0.27 -0.99 0.00 5.08 -0.78 -1.70 114.58 117.20 1ydg h GLU 27 Ca 0.17 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1ydg h GLU 27 Cb 0.34 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1ydg h GLU 27 CO 0.00 0.18 0.63 0.00 -1.00 0.00 0.00 179.01 178.82 1ydg h ALA 28 N 1.09 1.44 -0.20 3.43 0.00 -0.95 0.41 119.26 124.48 1ydg h ALA 28 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ydg h ALA 28 Cb -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ydg h ALA 28 CO -0.03 0.31 -0.27 0.78 0.00 0.00 0.00 179.25 180.05 1ydg h GLY 29 N 1.06 0.58 0.90 0.00 0.00 -0.91 -1.11 103.07 103.60 1ydg h GLY 29 Ca 0.46 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1ydg h GLY 29 CO -0.22 0.57 -0.00 3.21 0.00 0.00 0.00 176.54 180.09 1ydg h ARG 30 N 0.20 0.02 -0.48 4.80 3.08 -1.04 -0.95 114.38 120.01 1ydg h ARG 30 Ca 0.02 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1ydg h ARG 30 Cb 0.84 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1ydg h ARG 30 CO 0.06 0.01 0.33 0.00 -1.07 0.00 0.00 179.97 179.31 1ydg h ALA 31 N 1.06 2.09 -0.04 0.04 0.00 -0.90 0.56 119.26 122.06 1ydg h ALA 31 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ydg h ALA 31 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ydg h ALA 31 CO -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1ydg n ALA 32 N -2.54 2.59 -0.36 0.00 0.00 -0.42 -4.91 120.51 114.86 1ydg n ALA 32 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ydg n ALA 32 Cb 0.35 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ydg n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ydg n GLY 33 N 0.90 0.76 3.86 0.00 0.00 0.19 -4.94 105.19 105.96 1ydg n GLY 33 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1ydg n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 34 N -2.30 3.13 -0.17 4.61 0.00 -0.41 -4.36 121.76 122.26 1ydg s ALA 34 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 1ydg s ALA 34 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1ydg s ALA 34 CO 0.00 -0.41 0.59 -2.00 0.00 0.00 0.00 175.76 173.95 1ydg s GLU 35 N -4.54 4.26 -0.09 0.00 2.12 0.14 -4.37 118.70 116.22 1ydg s GLU 35 Ca 0.56 0.59 0.04 0.00 0.36 0.00 0.00 54.97 56.51 1ydg s GLU 35 Cb -0.10 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1ydg s GLU 35 CO 0.41 -0.12 -0.21 0.08 -0.54 0.00 0.00 175.26 174.88 1ydg s VAL 36 N 1.50 2.37 -0.24 3.70 1.01 -1.26 0.06 120.40 127.55 1ydg s VAL 36 Ca 0.29 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1ydg s VAL 36 Cb -0.16 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1ydg s VAL 36 CO 0.11 0.56 -0.01 -0.13 0.00 0.00 0.00 175.10 175.63 1ydg s ARG 37 N 0.09 3.24 -0.24 2.72 0.52 0.70 -4.98 118.95 121.00 1ydg s ARG 37 Ca -0.10 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1ydg s ARG 37 Cb -0.16 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1ydg s ARG 37 CO 0.06 -0.29 0.26 -1.17 0.02 0.00 0.00 175.30 174.18 1ydg s LEU 38 N 1.47 4.10 -0.02 2.53 2.96 -1.26 -0.87 118.68 127.58 1ydg s LEU 38 Ca 0.04 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1ydg s LEU 38 Cb -0.15 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.30 1ydg s LEU 38 CO -0.02 -0.03 0.04 -0.76 -1.32 0.00 0.00 176.35 174.26 1ydg s LEU 39 N 1.39 1.13 0.16 -0.68 1.43 -0.08 -4.37 118.68 117.66 1ydg s LEU 39 Ca 0.11 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1ydg s LEU 39 Cb -0.15 -0.02 -0.07 0.00 0.03 0.00 0.00 46.19 45.99 1ydg s LEU 39 CO 0.07 -0.12 0.51 -1.59 0.23 0.00 0.00 176.35 175.46 1ydg s LYS 40 N 0.98 3.87 0.13 1.70 -2.85 -0.25 -1.64 119.74 121.68 1ydg s LYS 40 Ca -0.08 0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 1ydg s LYS 40 Cb -0.12 -2.86 -0.06 0.00 -2.06 0.00 0.00 37.83 32.73 1ydg s LYS 40 CO -0.03 0.45 1.06 0.08 0.10 0.00 0.00 175.35 177.01 1ydg s VAL 41 N -1.56 4.15 0.12 1.79 1.01 0.83 0.50 120.40 127.24 1ydg s VAL 41 Ca 0.40 1.76 -0.35 0.00 0.00 0.00 0.00 61.98 63.79 1ydg s VAL 41 Cb -0.14 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 1ydg s VAL 41 CO 0.20 0.26 1.52 -1.14 0.00 0.00 0.00 175.10 175.94 1ydg n ARG 42 N 2.81 1.82 -2.45 2.72 0.63 -1.26 -4.86 116.66 116.07 1ydg n ARG 42 Ca 0.04 0.66 -0.43 0.00 -0.92 0.00 0.00 57.85 57.20 1ydg n ARG 42 Cb 0.47 -2.39 -0.02 0.00 0.45 0.00 0.00 32.46 30.97 1ydg n ARG 42 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ydg s GLU 43 N 0.96 4.25 0.00 -0.14 2.56 -1.26 -4.86 118.70 120.20 1ydg s GLU 43 Ca 0.81 1.63 0.09 0.00 0.00 0.00 0.00 54.97 57.51 1ydg s GLU 43 Cb -0.77 -3.73 -0.01 0.00 2.00 0.00 0.00 34.13 31.61 1ydg s GLU 43 CO 0.42 -0.67 0.56 0.25 -0.56 0.00 0.00 175.26 175.25 1ydg n THR 44 N 5.29 0.00 -2.11 -1.70 -2.24 -1.26 -5.02 114.28 107.25 1ydg n THR 44 Ca 0.13 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1ydg n THR 44 Cb 0.45 1.09 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1ydg n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ydg s ALA 45 N -1.33 2.60 0.45 6.98 0.00 -1.26 -5.00 121.76 124.21 1ydg s ALA 45 Ca 0.07 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 1ydg s ALA 45 Cb 0.07 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1ydg s ALA 45 CO 0.24 -1.00 1.39 -2.14 0.00 0.00 0.00 175.76 174.26 1ydg s PRO 46 N -3.35 3.71 0.55 0.00 0.02 -1.26 -4.88 135.00 129.79 1ydg s PRO 46 Ca 0.75 2.34 0.32 0.00 0.02 0.00 0.00 61.00 64.44 1ydg s PRO 46 Cb -0.27 -2.65 1.49 0.00 0.02 0.00 0.00 34.50 33.09 1ydg s PRO 46 CO 0.31 -0.77 2.04 0.37 -0.33 0.00 0.00 177.00 178.62 1ydg h GLN 47 N 2.34 0.00 -0.16 5.54 5.75 -1.98 -0.91 115.11 125.70 1ydg h GLN 47 Ca -0.51 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 57.84 1ydg h GLN 47 Cb 1.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1ydg h GLN 47 CO 0.61 0.07 -0.54 0.38 -2.65 0.00 0.00 178.83 176.70 1ydg h ASP 48 N 0.00 0.51 -0.36 -0.69 2.03 -1.97 -0.16 116.42 115.77 1ydg h ASP 48 Ca -0.00 -0.27 -0.17 0.00 -0.73 0.00 0.00 57.03 55.87 1ydg h ASP 48 Cb 0.43 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1ydg h ASP 48 CO 0.01 0.95 -0.43 0.58 -1.03 0.00 0.00 179.24 179.32 1ydg h VAL 49 N 0.35 1.27 -0.47 4.15 2.07 -1.59 -3.17 116.25 118.86 1ydg h VAL 49 Ca 0.01 -1.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.79 1ydg h VAL 49 Cb 1.06 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1ydg h VAL 49 CO 0.10 0.53 -0.22 0.40 0.02 0.00 0.00 177.57 178.40 1ydg h ILE 50 N 0.75 1.27 0.00 4.57 2.04 -1.17 -3.16 117.51 121.81 1ydg h ILE 50 Ca 0.05 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1ydg h ILE 50 Cb 1.03 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1ydg h ILE 50 CO 0.10 0.48 0.00 0.47 0.00 0.00 0.00 178.15 179.20 1ydg n ASP 51 N -4.11 0.00 -0.98 1.72 8.00 -0.08 -1.36 116.55 119.74 1ydg n ASP 51 Ca 0.00 -0.37 0.12 0.00 0.71 0.00 0.00 54.79 55.25 1ydg n ASP 51 Cb 0.46 -0.07 0.22 0.00 -0.02 0.00 0.00 41.12 41.71 1ydg n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ydg n GLY 52 N 0.01 1.20 2.62 0.44 0.00 -1.19 -4.79 105.19 103.49 1ydg n GLY 52 Ca 0.11 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 1ydg n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ydg s GLN 53 N -1.73 0.35 0.27 1.61 -0.21 -0.47 -5.02 119.66 114.46 1ydg s GLN 53 Ca 0.34 -0.56 0.11 0.00 0.02 0.00 0.00 55.36 55.28 1ydg s GLN 53 Cb 0.21 -1.59 0.34 0.00 1.00 0.00 0.00 33.01 32.97 1ydg s GLN 53 CO 0.31 -0.90 1.59 -0.44 -2.12 0.00 0.00 175.29 173.73 1ydg h ASP 54 N 8.32 0.00 -0.63 5.90 3.32 -1.87 -1.76 116.42 129.71 1ydg h ASP 54 Ca -0.17 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1ydg h ASP 54 Cb 1.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1ydg h ASP 54 CO 0.41 0.62 0.23 0.00 -1.72 0.00 0.00 179.24 178.78 1ydg h ALA 55 N 1.38 1.16 -0.08 3.45 0.00 -1.95 0.18 119.26 123.41 1ydg h ALA 55 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ydg h ALA 55 Cb 1.14 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ydg h ALA 55 CO 0.08 0.59 0.02 2.35 0.00 0.00 0.00 179.25 182.30 1ydg h TRP 56 N 0.96 0.12 -0.63 0.00 2.91 -1.68 0.20 115.95 117.84 1ydg h TRP 56 Ca 0.22 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.30 1ydg h TRP 56 Cb 0.24 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.79 1ydg h TRP 56 CO 0.02 0.27 0.32 0.87 -1.03 0.00 0.00 178.44 178.88 1ydg h LYS 57 N -0.06 0.56 -0.34 2.65 1.57 -1.07 -1.05 116.57 118.82 1ydg h LYS 57 Ca 0.02 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1ydg h LYS 57 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ydg h LYS 57 CO -0.00 0.37 -0.02 0.00 -0.57 0.00 0.00 179.45 179.23 1ydg h ALA 58 N 1.36 0.46 -0.37 3.86 0.00 -0.47 -2.31 119.26 121.79 1ydg h ALA 58 Ca 0.29 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ydg h ALA 58 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ydg h ALA 58 CO -0.21 0.25 -0.04 -0.97 0.00 0.00 0.00 179.25 178.27 1ydg h ASN 59 N 0.42 0.58 -0.41 0.00 -1.24 -0.39 0.20 115.58 114.74 1ydg h ASN 59 Ca 0.09 -0.13 0.06 0.00 0.71 0.00 0.00 56.30 57.03 1ydg h ASN 59 Cb 0.49 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.33 1ydg h ASN 59 CO 0.02 0.68 0.08 0.40 -1.29 0.00 0.00 177.43 177.32 1ydg h ILE 60 N 0.57 0.79 -0.43 2.57 2.04 -0.92 -1.83 117.51 120.29 1ydg h ILE 60 Ca 0.11 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1ydg h ILE 60 Cb 0.43 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1ydg h ILE 60 CO 0.02 0.04 0.02 -0.08 0.00 0.00 0.00 178.15 178.15 1ydg h GLU 61 N 0.21 0.74 -1.01 2.37 4.57 -0.83 -2.73 114.58 117.91 1ydg h GLU 61 Ca 0.20 -0.23 0.23 0.00 -1.18 0.00 0.00 59.36 58.38 1ydg h GLU 61 Cb 0.23 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 28.65 1ydg h GLU 61 CO -0.26 0.80 0.63 0.00 -1.18 0.00 0.00 179.01 179.00 1ydg h ALA 62 N 0.91 1.94 -0.39 2.92 0.00 -0.26 -0.16 119.26 124.21 1ydg h ALA 62 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ydg h ALA 62 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ydg h ALA 62 CO 0.02 -0.35 0.00 -1.33 0.00 0.00 0.00 179.25 177.59 1ydg n MET 63 N -4.74 3.21 -0.05 0.00 2.81 -0.72 -4.63 117.12 113.01 1ydg n MET 63 Ca 0.25 -1.95 0.04 0.00 -1.81 0.00 0.00 57.70 54.24 1ydg n MET 63 Cb 0.74 -1.87 0.40 0.00 -0.71 0.00 0.00 33.22 31.79 1ydg n MET 63 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1ydg h LYS 64 N 2.59 0.60 -0.57 0.03 2.10 -0.91 -0.88 116.57 119.52 1ydg h LYS 64 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1ydg h LYS 64 Cb 1.28 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1ydg h LYS 64 CO 0.25 0.39 0.00 -0.25 -2.00 0.00 0.00 179.45 177.85 1ydg n ASP 65 N -4.47 3.20 -4.67 7.07 10.43 -1.26 -4.81 116.55 122.03 1ydg n ASP 65 Ca 0.05 -2.13 -0.40 0.00 2.57 0.00 0.00 54.79 54.88 1ydg n ASP 65 Cb 0.10 -0.42 -0.05 0.00 1.84 0.00 0.00 41.12 42.59 1ydg n ASP 65 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ydg s VAL 66 N -1.47 5.02 0.55 2.53 1.01 -0.34 -5.06 120.40 122.65 1ydg s VAL 66 Ca 0.37 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 1ydg s VAL 66 Cb 0.21 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1ydg s VAL 66 CO 0.22 0.14 1.12 -2.84 0.00 0.00 0.00 175.10 173.74 1ydg s PRO 67 N 1.67 3.32 0.16 2.72 0.02 -1.26 -4.71 135.00 136.91 1ydg s PRO 67 Ca 0.31 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.60 1ydg s PRO 67 Cb -0.16 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 1ydg s PRO 67 CO 0.12 -0.87 1.20 -2.00 -0.33 0.00 0.00 177.00 175.12 1ydg s GLU 68 N -3.37 4.48 0.46 5.54 2.12 -1.26 -1.09 118.70 125.57 1ydg s GLU 68 Ca 0.72 1.85 -0.24 0.00 0.36 0.00 0.00 54.97 57.66 1ydg s GLU 68 Cb -0.23 -3.26 -0.07 0.00 0.26 0.00 0.00 34.13 30.82 1ydg s GLU 68 CO 0.28 -0.12 1.34 0.00 -0.54 0.00 0.00 175.26 176.21 1ydg s ALA 69 N 0.21 3.11 0.10 6.30 0.00 0.18 -4.79 121.76 126.86 1ydg s ALA 69 Ca 0.54 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1ydg s ALA 69 Cb -0.32 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1ydg s ALA 69 CO 0.35 -1.06 -0.02 0.95 0.00 0.00 0.00 175.76 175.98 1ydg s THR 70 N -1.29 0.40 0.35 0.00 -4.23 -1.26 -4.78 115.64 104.83 1ydg s THR 70 Ca 0.63 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 1ydg s THR 70 Cb -0.39 -1.75 0.31 0.00 1.34 0.00 0.00 72.50 72.01 1ydg s THR 70 CO 0.49 -0.79 1.89 -0.65 -0.54 0.00 0.00 174.62 175.02 1ydg h PRO 71 N 2.98 0.73 -1.01 3.99 0.11 -1.94 -1.30 132.00 135.56 1ydg h PRO 71 Ca -0.35 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.95 1ydg h PRO 71 Cb 1.17 -0.16 -0.11 0.00 0.11 0.00 0.00 31.00 32.00 1ydg h PRO 71 CO 0.64 0.48 0.61 0.00 -0.21 0.00 0.00 178.00 179.52 1ydg h ALA 72 N 1.59 1.81 -0.75 -0.75 0.00 -1.98 -0.41 119.26 118.75 1ydg h ALA 72 Ca 0.42 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1ydg h ALA 72 Cb 0.58 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ydg h ALA 72 CO -0.19 -0.24 0.24 -0.44 0.00 0.00 0.00 179.25 178.62 1ydg h ASP 73 N 0.62 1.10 0.25 0.00 3.32 -1.65 -0.46 116.42 119.60 1ydg h ASP 73 Ca 0.62 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 57.29 1ydg h ASP 73 Cb 1.15 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1ydg h ASP 73 CO -0.42 1.01 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.38 1ydg h LEU 74 N 1.12 0.45 -0.89 1.55 3.38 -1.26 -0.66 115.31 119.00 1ydg h LEU 74 Ca 0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ydg h LEU 74 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1ydg h LEU 74 CO -0.01 0.99 0.26 -0.08 0.09 0.00 0.00 178.44 179.69 1ydg h GLU 75 N 0.28 1.07 -0.28 1.13 4.81 -0.90 -2.86 114.58 117.83 1ydg h GLU 75 Ca -0.02 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1ydg h GLU 75 Cb 1.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1ydg h GLU 75 CO 0.11 0.89 -0.05 2.35 -0.73 0.00 0.00 179.01 181.59 1ydg h TRP 76 N 1.04 0.58 -3.89 0.92 7.01 -1.00 -3.46 115.95 117.16 1ydg h TRP 76 Ca 0.24 -0.12 -0.55 0.00 2.11 0.00 0.00 58.89 60.57 1ydg h TRP 76 Cb 0.24 -0.14 0.13 0.00 -2.10 0.00 0.00 29.16 27.28 1ydg h TRP 76 CO 0.02 0.71 0.64 0.00 -2.79 0.00 0.00 178.44 177.01 1ydg n ALA 77 N -2.38 1.80 -0.09 2.65 0.00 -0.26 -4.92 120.51 117.30 1ydg n ALA 77 Ca -0.03 0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1ydg n ALA 77 Cb 0.29 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 1ydg n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ydg n GLU 78 N -0.30 0.83 -4.62 0.00 1.02 -0.03 -4.95 120.64 112.58 1ydg n GLU 78 Ca 0.06 -0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.91 1ydg n GLU 78 Cb 0.42 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.17 1ydg n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ydg s ALA 79 N -2.55 1.56 -0.06 0.62 0.00 -0.40 -1.72 121.76 119.21 1ydg s ALA 79 Ca -0.09 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1ydg s ALA 79 Cb 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1ydg s ALA 79 CO 0.80 0.06 -0.24 0.42 0.00 0.00 0.00 175.76 176.79 1ydg s ILE 80 N 0.76 2.01 -0.13 0.00 1.01 -0.31 -0.85 121.20 123.69 1ydg s ILE 80 Ca -0.12 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.52 1ydg s ILE 80 Cb -0.16 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1ydg s ILE 80 CO 0.02 0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 174.62 1ydg s VAL 81 N -0.12 1.94 -0.09 2.92 1.01 -0.28 -1.93 120.40 123.85 1ydg s VAL 81 Ca -0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1ydg s VAL 81 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1ydg s VAL 81 CO 0.04 0.53 0.05 -0.36 0.00 0.00 0.00 175.10 175.36 1ydg s PHE 82 N 0.79 3.31 -0.06 5.22 0.40 -0.85 -0.39 117.98 126.39 1ydg s PHE 82 Ca -0.08 0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1ydg s PHE 82 Cb -0.16 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.57 1ydg s PHE 82 CO -0.01 0.56 -0.01 0.45 0.70 0.00 0.00 175.22 176.92 1ydg s SER 83 N -1.02 1.26 -0.00 1.36 0.15 -0.24 -0.78 113.70 114.44 1ydg s SER 83 Ca 0.15 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 1ydg s SER 83 Cb -0.12 -0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1ydg s SER 83 CO 0.04 -0.15 0.04 -0.55 1.20 0.00 0.00 173.24 173.82 1ydg s SER 84 N 1.62 0.05 0.87 5.45 0.15 -0.95 -1.10 113.70 119.80 1ydg s SER 84 Ca -0.01 -0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.40 1ydg s SER 84 Cb -0.13 0.12 0.11 0.00 -1.71 0.00 0.00 66.02 64.42 1ydg s SER 84 CO -0.04 -0.16 1.09 -2.16 1.20 0.00 0.00 173.24 173.17 1ydg s PRO 85 N -0.66 1.46 0.35 5.44 0.04 -1.26 -3.31 135.00 137.05 1ydg s PRO 85 Ca -0.07 0.83 -0.19 0.00 0.04 0.00 0.00 61.00 61.60 1ydg s PRO 85 Cb -0.05 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 1ydg s PRO 85 CO -0.00 -2.10 0.84 -0.08 0.04 0.00 0.00 177.00 175.69 1ydg s THR 86 N -2.96 4.50 -0.24 1.26 -1.32 0.10 -3.60 115.64 113.39 1ydg s THR 86 Ca 0.63 1.30 -0.00 0.00 -1.21 0.00 0.00 61.69 62.41 1ydg s THR 86 Cb -0.17 -3.69 0.07 0.00 -1.51 0.00 0.00 72.50 67.19 1ydg s THR 86 CO 0.56 -0.13 -0.01 -0.13 -2.21 0.00 0.00 174.62 172.71 1ydg s ARG 87 N -2.79 1.24 -1.62 7.08 1.81 0.15 -4.84 118.95 119.99 1ydg s ARG 87 Ca 0.55 -0.89 -0.15 0.00 -1.72 0.00 0.00 55.73 53.51 1ydg s ARG 87 Cb -0.12 -2.42 0.12 0.00 -0.45 0.00 0.00 34.95 32.08 1ydg s ARG 87 CO 0.17 -0.68 0.84 1.19 -0.68 0.00 0.00 175.30 176.15 1ydg n PHE 88 N 4.77 -1.95 -0.22 -0.53 3.72 -1.26 -1.86 117.46 120.13 1ydg n PHE 88 Ca -0.09 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.15 1ydg n PHE 88 Cb 0.44 -3.41 0.00 0.00 -0.94 0.00 0.00 39.48 35.58 1ydg n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ydg n GLY 89 N -1.55 1.48 3.85 1.37 0.00 -1.26 -5.02 105.19 104.06 1ydg n GLY 89 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1ydg n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ydg s GLY 90 N -1.86 2.75 0.81 -0.02 0.00 -0.77 -2.41 107.32 105.81 1ydg s GLY 90 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 1ydg s GLY 90 CO 0.00 -2.09 1.09 0.00 0.00 0.00 0.00 173.10 172.11 1ydg s ALA 91 N -2.85 2.16 0.55 3.20 0.00 -1.26 -0.67 121.76 122.88 1ydg s ALA 91 Ca 0.17 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1ydg s ALA 91 Cb -0.01 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1ydg s ALA 91 CO 0.11 -1.80 1.27 0.95 0.00 0.00 0.00 175.76 176.29 1ydg s THR 92 N -3.09 2.44 0.50 0.00 -4.23 -1.24 -4.42 115.64 105.61 1ydg s THR 92 Ca 0.61 0.31 0.24 0.00 -1.18 0.00 0.00 61.69 61.67 1ydg s THR 92 Cb -0.15 -3.15 0.41 0.00 1.34 0.00 0.00 72.50 70.95 1ydg s THR 92 CO 0.55 -0.02 1.94 0.77 -0.54 0.00 0.00 174.62 177.32 1ydg h SER 93 N 1.37 0.12 -0.01 3.99 4.64 -1.96 -1.11 113.55 120.59 1ydg h SER 93 Ca -0.50 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1ydg h SER 93 Cb 1.29 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ydg h SER 93 CO 0.57 0.06 0.00 1.56 -0.87 0.00 0.00 176.83 178.15 1ydg h GLN 94 N 0.12 0.01 -0.75 4.77 7.50 -1.91 0.96 115.11 125.82 1ydg h GLN 94 Ca 0.34 -0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.50 1ydg h GLN 94 Cb 1.16 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.65 1ydg h GLN 94 CO -0.04 0.21 0.48 1.98 -1.50 0.00 0.00 178.83 179.96 1ydg h MET 95 N -0.18 0.94 0.00 1.46 4.05 -1.70 -2.46 114.93 117.04 1ydg h MET 95 Ca 0.00 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 1ydg h MET 95 Cb 0.20 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1ydg h MET 95 CO -0.00 0.62 -0.37 0.00 0.23 0.00 0.00 176.91 177.39 1ydg h ARG 96 N 0.97 0.00 -0.58 0.39 2.47 -0.98 -0.91 114.38 115.74 1ydg h ARG 96 Ca 0.28 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.90 1ydg h ARG 96 Cb -0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 1ydg h ARG 96 CO -0.08 0.37 -0.05 0.00 0.56 0.00 0.00 179.97 180.77 1ydg h ALA 97 N 1.63 0.82 -0.21 0.04 0.00 -0.42 0.12 119.26 121.24 1ydg h ALA 97 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ydg h ALA 97 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ydg h ALA 97 CO 0.05 0.67 0.02 0.35 0.00 0.00 0.00 179.25 180.34 1ydg h PHE 98 N 0.95 0.38 -0.81 0.00 3.57 -1.10 -2.76 116.94 117.16 1ydg h PHE 98 Ca 0.16 -0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.75 1ydg h PHE 98 Cb 0.61 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.15 1ydg h PHE 98 CO 0.04 0.52 0.38 0.82 -2.23 0.00 0.00 178.31 177.84 1ydg h ILE 99 N 0.14 0.68 0.00 1.41 2.04 -1.04 -1.56 117.51 119.18 1ydg h ILE 99 Ca 0.06 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1ydg h ILE 99 Cb 0.35 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1ydg h ILE 99 CO 0.01 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.73 1ydg n ASP 100 N -4.93 0.00 -0.69 1.72 9.92 0.02 -1.53 116.55 121.06 1ydg n ASP 100 Ca 0.16 0.28 0.12 0.00 -0.53 0.00 0.00 54.79 54.83 1ydg n ASP 100 Cb 0.44 -0.39 0.35 0.00 -0.64 0.00 0.00 41.12 40.88 1ydg n ASP 100 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ydg n THR 101 N -1.39 0.16 0.70 -3.53 -2.24 -0.59 -4.25 114.28 103.14 1ydg n THR 101 Ca 0.05 -0.40 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1ydg n THR 101 Cb 0.15 0.68 0.26 0.00 -2.10 0.00 0.00 70.33 69.32 1ydg n THR 101 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ydg n LEU 102 N 0.62 2.42 -0.34 3.22 4.77 -0.58 -4.48 117.00 122.63 1ydg n LEU 102 Ca 0.17 -1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.02 1ydg n LEU 102 Cb 0.42 -0.24 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1ydg n LEU 102 CO 0.15 0.56 1.24 1.23 -1.33 0.00 0.00 177.39 179.24 1ydg h GLY 103 N 4.91 1.33 0.90 -0.72 0.00 -1.77 -0.30 103.07 107.41 1ydg h GLY 103 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1ydg h GLY 103 CO 0.00 0.40 0.07 -1.33 0.00 0.00 0.00 176.54 175.68 1ydg h GLY 104 N 1.17 0.23 0.94 4.60 0.00 -1.94 0.73 103.07 108.79 1ydg h GLY 104 Ca 0.36 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1ydg h GLY 104 CO -0.11 0.11 0.17 1.41 0.00 0.00 0.00 176.54 178.11 1ydg h LEU 105 N 0.10 0.27 -0.47 3.11 3.38 -1.81 -2.51 115.31 117.38 1ydg h LEU 105 Ca 0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1ydg h LEU 105 Cb 0.14 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1ydg h LEU 105 CO -0.01 0.20 0.19 -0.25 0.09 0.00 0.00 178.44 178.66 1ydg h TRP 106 N 0.34 0.33 -0.32 1.13 7.01 -0.94 -1.10 115.95 122.41 1ydg h TRP 106 Ca 0.11 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.17 1ydg h TRP 106 Cb -0.00 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1ydg h TRP 106 CO -0.08 0.13 0.22 0.77 -2.79 0.00 0.00 178.44 176.69 1ydg h SER 107 N 0.37 0.25 -0.18 2.65 0.02 -0.70 -2.43 113.55 113.53 1ydg h SER 107 Ca 0.22 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ydg h SER 107 Cb 0.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ydg h SER 107 CO -0.21 0.17 0.00 -1.20 -1.14 0.00 0.00 176.83 174.45 1ydg n SER 108 N -4.49 1.49 -0.79 3.07 7.64 -0.77 -4.90 113.62 114.88 1ydg n SER 108 Ca 0.03 -1.75 -0.10 0.00 1.01 0.00 0.00 58.87 58.06 1ydg n SER 108 Cb 0.19 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1ydg n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ydg n GLY 109 N 1.06 1.13 1.08 0.23 0.00 -0.91 -4.91 105.19 102.87 1ydg n GLY 109 Ca 0.14 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1ydg n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ydg n LYS 110 N -2.12 2.53 0.00 1.61 5.02 -0.49 -3.44 118.16 121.26 1ydg n LYS 110 Ca -0.10 -1.98 0.04 0.00 -2.02 0.00 0.00 58.31 54.24 1ydg n LYS 110 Cb 0.41 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1ydg n LYS 110 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ydg n LEU 111 N 0.95 0.82 -4.77 -0.35 4.77 -1.26 -4.70 117.00 112.46 1ydg n LEU 111 Ca 0.18 -0.67 -0.35 0.00 -0.03 0.00 0.00 56.01 55.14 1ydg n LEU 111 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1ydg n LEU 111 CO 0.14 0.18 0.78 0.00 -1.33 0.00 0.00 177.39 177.16 1ydg s ALA 112 N -1.36 2.68 -0.72 -1.18 0.00 -1.18 -3.50 121.76 116.50 1ydg s ALA 112 Ca 0.05 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1ydg s ALA 112 Cb 0.06 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1ydg s ALA 112 CO 0.24 -0.80 0.00 0.09 0.00 0.00 0.00 175.76 175.29 1ydg n ASN 113 N -1.36 -5.12 -4.84 0.00 3.02 -0.36 -4.93 115.26 101.67 1ydg n ASN 113 Ca 0.12 0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 1ydg n ASN 113 Cb 0.51 -3.22 -0.06 0.00 -0.61 0.00 0.00 39.78 36.40 1ydg n ASN 113 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ydg s LYS 114 N -2.30 4.08 0.56 3.52 1.02 -1.23 -4.74 119.74 120.66 1ydg s LYS 114 Ca 0.00 0.67 -0.15 0.00 0.02 0.00 0.00 55.97 56.52 1ydg s LYS 114 Cb 0.00 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.53 1ydg s LYS 114 CO 0.00 0.33 1.01 0.95 -0.92 0.00 0.00 175.35 176.72 1ydg s THR 115 N -1.69 4.41 -0.17 2.17 -4.23 -0.70 -0.29 115.64 115.14 1ydg s THR 115 Ca 0.46 1.04 -0.09 0.00 -1.18 0.00 0.00 61.69 61.92 1ydg s THR 115 Cb -0.14 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.09 1ydg s THR 115 CO 0.19 -0.77 0.42 0.12 -0.54 0.00 0.00 174.62 174.04 1ydg s PHE 116 N -2.75 -0.62 0.32 3.99 5.36 -0.22 -1.16 117.98 122.91 1ydg s PHE 116 Ca 0.59 1.32 0.05 0.00 -0.96 0.00 0.00 56.93 57.93 1ydg s PHE 116 Cb -0.11 0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.81 1ydg s PHE 116 CO 0.39 -0.35 0.22 -1.54 -1.46 0.00 0.00 175.22 172.48 1ydg s SER 117 N 1.41 1.59 0.11 6.13 1.04 -0.81 -1.12 113.70 122.05 1ydg s SER 117 Ca -0.10 -1.67 -0.05 0.00 0.48 0.00 0.00 55.95 54.61 1ydg s SER 117 Cb -0.08 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1ydg s SER 117 CO -0.13 -0.99 0.13 0.00 0.98 0.00 0.00 173.24 173.23 1ydg s ALA 118 N -3.54 0.26 0.06 5.32 0.00 -1.26 -2.02 121.76 120.59 1ydg s ALA 118 Ca 0.38 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1ydg s ALA 118 Cb 0.03 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1ydg s ALA 118 CO 0.22 -0.50 0.10 -1.64 0.00 0.00 0.00 175.76 173.94 1ydg s MET 119 N -3.94 0.70 0.29 0.00 -1.94 0.04 -3.68 119.30 110.75 1ydg s MET 119 Ca 0.13 -0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 53.04 1ydg s MET 119 Cb 0.06 0.27 0.01 0.00 2.01 0.00 0.00 34.83 37.17 1ydg s MET 119 CO -0.05 -0.19 0.53 -0.08 -0.01 0.00 0.00 175.02 175.22 1ydg s THR 120 N -3.45 0.00 0.12 2.05 -1.32 -0.64 -2.24 115.64 110.17 1ydg s THR 120 Ca 0.02 -1.37 -0.08 0.00 -1.21 0.00 0.00 61.69 59.05 1ydg s THR 120 Cb 0.04 -2.36 -0.01 0.00 -1.51 0.00 0.00 72.50 68.66 1ydg s THR 120 CO -0.09 0.00 0.22 -0.94 -2.21 0.00 0.00 174.62 171.60 1ydg s SER 121 N -3.06 0.11 0.05 8.08 1.04 -1.21 -1.88 113.70 116.83 1ydg s SER 121 Ca 0.22 -0.80 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 1ydg s SER 121 Cb -0.02 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1ydg s SER 121 CO 0.11 -0.80 0.51 0.00 0.98 0.00 0.00 173.24 174.05 1ydg s ALA 122 N -3.92 -1.31 -0.65 5.32 0.00 -0.90 -0.72 121.76 119.58 1ydg s ALA 122 Ca 0.12 0.58 0.25 0.00 0.00 0.00 0.00 51.96 52.90 1ydg s ALA 122 Cb 0.04 0.38 0.90 0.00 0.00 0.00 0.00 23.12 24.45 1ydg s ALA 122 CO -0.05 -0.50 1.74 1.04 0.00 0.00 0.00 175.76 177.99 1ydg n GLN 123 N 0.41 0.20 -5.08 0.00 6.02 -1.26 -0.19 117.38 117.48 1ydg n GLN 123 Ca -0.18 0.29 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 1ydg n GLN 123 Cb 0.60 -1.80 -0.15 0.00 1.02 0.00 0.00 30.24 29.91 1ydg n GLN 123 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ydg s ASN 124 N -4.23 3.29 0.27 1.08 0.01 -1.26 -4.73 114.94 109.37 1ydg s ASN 124 Ca 0.08 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1ydg s ASN 124 Cb 0.11 -0.42 0.37 0.00 0.41 0.00 0.00 41.25 41.72 1ydg s ASN 124 CO 0.49 0.30 1.75 1.62 -1.51 0.00 0.00 177.10 179.75 1ydg h VAL 125 N 4.34 1.24 -0.37 1.60 3.04 -1.96 -2.50 116.25 121.64 1ydg h VAL 125 Ca -0.45 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1ydg h VAL 125 Cb 1.13 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1ydg h VAL 125 CO 0.47 0.36 0.00 0.59 -1.01 0.00 0.00 177.57 177.98 1ydg n ASN 126 N -4.19 4.42 -1.97 3.17 5.03 -1.26 -4.52 115.26 115.93 1ydg n ASN 126 Ca 0.01 -2.91 -0.20 0.00 0.87 0.00 0.00 54.58 52.35 1ydg n ASN 126 Cb 0.33 -0.57 0.05 0.00 -1.02 0.00 0.00 39.78 38.57 1ydg n ASN 126 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ydg n GLY 127 N -0.05 4.43 0.00 7.41 0.00 -0.94 -4.69 105.19 111.35 1ydg n GLY 127 Ca 0.23 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ydg n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ydg n GLY 128 N -0.01 1.32 0.07 -0.02 0.00 -1.26 -4.46 105.19 100.84 1ydg n GLY 128 Ca 0.38 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1ydg n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ydg n GLN 129 N -1.44 0.14 -0.10 1.61 6.02 -1.26 -2.48 117.38 119.87 1ydg n GLN 129 Ca 0.00 0.26 -0.20 0.00 -0.01 0.00 0.00 57.00 57.05 1ydg n GLN 129 Cb 0.00 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 29.48 1ydg n GLN 129 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ydg n GLU 130 N -1.96 0.42 0.04 -1.09 1.02 -1.26 -4.52 120.64 113.29 1ydg n GLU 130 Ca 0.04 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.38 1ydg n GLU 130 Cb 0.29 -1.22 0.38 0.00 -0.02 0.00 0.00 31.44 30.87 1ydg n GLU 130 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1ydg h THR 131 N -0.62 1.15 -0.44 2.62 1.35 -1.81 -1.51 112.91 113.64 1ydg h THR 131 Ca -0.49 -0.53 -0.07 0.00 -0.55 0.00 0.00 66.41 64.77 1ydg h THR 131 Cb 1.46 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 1ydg h THR 131 CO -0.27 0.19 -0.02 0.74 -0.25 0.00 0.00 175.52 175.90 1ydg h THR 132 N 0.42 1.26 -0.45 6.82 2.02 -1.15 -1.10 112.91 120.73 1ydg h THR 132 Ca 0.10 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 1ydg h THR 132 Cb 0.18 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ydg h THR 132 CO -0.00 0.37 0.04 -0.07 0.37 0.00 0.00 175.52 176.23 1ydg h LEU 133 N 0.62 0.75 -0.27 2.58 3.38 -1.70 -2.61 115.31 118.06 1ydg h LEU 133 Ca 0.12 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1ydg h LEU 133 Cb 0.52 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1ydg h LEU 133 CO 0.03 0.84 -0.18 -0.61 0.09 0.00 0.00 178.44 178.61 1ydg h GLN 134 N 0.63 -0.15 -0.43 1.13 4.15 -1.03 -0.06 115.11 119.34 1ydg h GLN 134 Ca 0.13 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1ydg h GLN 134 Cb 0.43 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1ydg h GLN 134 CO 0.01 -0.10 0.21 0.00 -1.93 0.00 0.00 178.83 177.02 1ydg h THR 135 N -0.15 1.15 -0.44 2.39 1.03 -1.04 -0.64 112.91 115.20 1ydg h THR 135 Ca 0.15 -0.42 -0.13 0.00 -0.01 0.00 0.00 66.41 66.00 1ydg h THR 135 Cb 0.38 0.60 -0.01 0.00 -1.07 0.00 0.00 68.15 68.04 1ydg h THR 135 CO -0.37 0.17 -0.22 -0.07 -0.01 0.00 0.00 175.52 175.02 1ydg h LEU 136 N 0.61 0.96 -0.64 0.00 3.38 -1.00 -2.70 115.31 115.92 1ydg h LEU 136 Ca 0.15 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1ydg h LEU 136 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1ydg h LEU 136 CO -0.02 1.15 0.29 1.88 0.09 0.00 0.00 178.44 181.83 1ydg h TYR 137 N 0.77 0.95 -0.90 1.13 0.05 -0.21 -2.40 116.97 116.35 1ydg h TYR 137 Ca 0.10 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.85 1ydg h TYR 137 Cb 0.80 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 1ydg h TYR 137 CO 0.06 0.73 0.58 0.52 -1.05 0.00 0.00 178.16 179.00 1ydg h MET 138 N 0.89 1.11 -0.30 4.88 2.86 -1.10 -1.48 114.93 121.79 1ydg h MET 138 Ca 0.22 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1ydg h MET 138 Cb 0.15 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1ydg h MET 138 CO -0.02 0.73 0.16 1.15 1.06 0.00 0.00 176.91 179.98 1ydg h THR 139 N 1.14 1.00 0.00 2.22 2.02 -1.34 -2.81 112.91 115.14 1ydg h THR 139 Ca 0.36 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 1ydg h THR 139 Cb -0.01 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1ydg h THR 139 CO -0.11 0.06 -0.05 0.00 0.37 0.00 0.00 175.52 175.79 1ydg h ALA 140 N 1.15 1.81 -0.47 6.16 0.00 -0.84 -2.18 119.26 124.89 1ydg h ALA 140 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ydg h ALA 140 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ydg h ALA 140 CO -0.08 0.06 0.17 0.52 0.00 0.00 0.00 179.25 179.92 1ydg h MET 141 N 0.00 0.68 0.00 0.00 2.86 -1.03 -1.59 114.93 115.85 1ydg h MET 141 Ca -0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1ydg h MET 141 Cb 0.09 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1ydg h MET 141 CO 0.01 0.57 -0.10 0.45 1.06 0.00 0.00 176.91 178.90 1ydg h HIS 142 N 0.67 0.00 0.00 -0.22 3.86 -1.38 -1.97 115.15 116.11 1ydg h HIS 142 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1ydg h HIS 142 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1ydg h HIS 142 CO 0.01 0.10 -0.11 0.91 0.86 0.00 0.00 177.93 179.70 1ydg n TRP 143 N -3.86 0.20 -2.25 2.45 8.01 -0.63 -4.92 117.44 116.44 1ydg n TRP 143 Ca -0.02 0.06 -0.11 0.00 -1.31 0.00 0.00 57.50 56.12 1ydg n TRP 143 Cb 0.19 -0.55 -0.00 0.00 -2.01 0.00 0.00 31.31 28.94 1ydg n TRP 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ydg n GLY 144 N 1.46 -0.05 3.80 6.99 0.00 -0.74 -3.08 105.19 113.56 1ydg n GLY 144 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1ydg n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 145 N -2.57 2.35 -0.38 4.61 0.00 -0.99 -1.23 121.76 123.55 1ydg s ALA 145 Ca 0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 1ydg s ALA 145 Cb -0.01 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1ydg s ALA 145 CO 0.02 -1.60 0.22 0.08 0.00 0.00 0.00 175.76 174.48 1ydg s VAL 146 N -3.09 4.65 -0.12 0.00 1.01 0.61 -4.82 120.40 118.64 1ydg s VAL 146 Ca 0.60 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1ydg s VAL 146 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1ydg s VAL 146 CO 0.55 -0.26 0.74 -0.76 0.00 0.00 0.00 175.10 175.37 1ydg s LEU 147 N 1.57 4.25 -0.55 3.92 1.43 -1.26 -1.05 118.68 126.98 1ydg s LEU 147 Ca 0.02 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.33 1ydg s LEU 147 Cb -0.19 -3.11 0.31 0.00 0.03 0.00 0.00 46.19 43.22 1ydg s LEU 147 CO 0.07 -0.23 0.82 0.35 0.23 0.00 0.00 176.35 177.59 1ydg n THR 148 N 4.22 2.10 -1.33 5.49 -2.24 -0.27 -4.91 114.28 117.34 1ydg n THR 148 Ca 0.01 -5.21 -0.32 0.00 -2.27 0.00 0.00 64.05 56.26 1ydg n THR 148 Cb 0.50 -1.51 0.09 0.00 -2.10 0.00 0.00 70.33 67.32 1ydg n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ydg s PRO 149 N -2.84 2.14 0.38 -0.78 0.04 -1.26 -4.68 135.00 128.00 1ydg s PRO 149 Ca 0.44 1.44 0.11 0.00 0.04 0.00 0.00 61.00 63.03 1ydg s PRO 149 Cb 0.24 -1.86 0.75 0.00 0.04 0.00 0.00 34.50 33.66 1ydg s PRO 149 CO -0.09 -1.77 1.86 -1.00 0.04 0.00 0.00 177.00 176.04 1ydg h PRO 150 N -0.76 0.09 0.00 0.56 0.13 -1.78 -3.49 132.00 126.76 1ydg h PRO 150 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ydg h PRO 150 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ydg h PRO 150 CO 0.50 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 1ydg n GLY 151 N -0.62 1.74 2.40 1.56 0.00 -0.23 -2.92 105.19 107.12 1ydg n GLY 151 Ca -0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1ydg n GLY 151 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ydg n TYR 152 N 7.45 3.10 1.70 1.61 4.02 -1.26 -4.36 117.16 129.42 1ydg n TYR 152 Ca 0.00 -2.68 0.15 0.00 -0.01 0.00 0.00 57.90 55.36 1ydg n TYR 152 Cb 0.00 -0.64 0.71 0.00 -0.02 0.00 0.00 39.34 39.39 1ydg n TYR 152 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1ydg n THR 153 N -0.64 0.00 -3.82 -0.72 -2.24 -1.15 -4.74 114.28 100.98 1ydg n THR 153 Ca 0.48 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1ydg n THR 153 Cb 0.67 0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.86 1ydg n THR 153 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ydg s ASP 154 N -2.03 -0.08 0.50 3.42 2.15 -1.26 -5.04 116.67 114.32 1ydg s ASP 154 Ca 0.42 -0.06 0.30 0.00 0.43 0.00 0.00 52.55 53.64 1ydg s ASP 154 Cb 0.21 0.26 1.40 0.00 -0.30 0.00 0.00 42.92 44.50 1ydg s ASP 154 CO 0.36 -0.41 1.82 -0.08 -0.17 0.00 0.00 175.17 176.69 1ydg h GLU 155 N 4.09 0.11 -0.09 4.34 4.81 -2.01 -2.28 114.58 123.56 1ydg h GLU 155 Ca -0.30 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 1ydg h GLU 155 Cb 1.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1ydg h GLU 155 CO 0.40 0.07 -0.19 -0.39 -0.73 0.00 0.00 179.01 178.17 1ydg h VAL 156 N 0.12 1.19 -0.20 0.32 -1.51 -1.95 -2.27 116.25 111.94 1ydg h VAL 156 Ca 0.54 -0.85 0.04 0.00 -1.23 0.00 0.00 66.70 65.19 1ydg h VAL 156 Cb 1.90 1.33 -0.03 0.00 -2.13 0.00 0.00 31.29 32.36 1ydg h VAL 156 CO -0.09 0.26 -0.02 0.40 -1.23 0.00 0.00 177.57 176.89 1ydg h ILE 157 N 0.14 0.84 -0.80 7.19 1.08 -1.75 -1.59 117.51 122.62 1ydg h ILE 157 Ca 0.03 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1ydg h ILE 157 Cb 0.42 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 1ydg h ILE 157 CO 0.03 0.01 0.49 -0.26 -0.69 0.00 0.00 178.15 177.72 1ydg h PHE 158 N 0.04 0.91 0.00 1.37 0.04 -1.56 0.48 116.94 118.21 1ydg h PHE 158 Ca 0.09 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1ydg h PHE 158 Cb 0.13 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1ydg h PHE 158 CO -0.19 0.47 -0.30 0.87 -0.60 0.00 0.00 178.31 178.56 1ydg h LYS 159 N 0.91 0.00 -0.64 1.51 1.57 -1.04 -3.11 116.57 115.77 1ydg h LYS 159 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1ydg h LYS 159 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ydg h LYS 159 CO -0.16 0.30 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 1ydg n SER 160 N -4.03 4.55 0.00 0.86 3.41 -0.65 -4.86 113.62 112.90 1ydg n SER 160 Ca -0.02 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 1ydg n SER 160 Cb 0.36 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1ydg n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ydg n GLY 161 N 1.00 0.82 3.44 5.00 0.00 -1.17 -4.78 105.19 109.50 1ydg n GLY 161 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 1ydg n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ydg n GLY 162 N -0.80 -0.79 3.36 -0.02 0.00 0.17 -4.98 105.19 102.13 1ydg n GLY 162 Ca 0.00 0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.94 1ydg n GLY 162 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ydg s ASN 163 N -3.81 6.19 0.49 1.61 3.84 -1.26 -4.93 114.94 117.06 1ydg s ASN 163 Ca 0.27 -1.48 0.29 0.00 0.21 0.00 0.00 52.86 52.15 1ydg s ASN 163 Cb -0.05 -2.26 0.97 0.00 -0.55 0.00 0.00 41.25 39.36 1ydg s ASN 163 CO 0.77 -0.97 1.84 1.55 -2.79 0.00 0.00 177.10 177.49 1ydg h PRO 164 N 9.04 0.00 0.01 0.43 0.13 -1.94 -3.09 132.00 136.58 1ydg h PRO 164 Ca -0.29 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 1ydg h PRO 164 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1ydg h PRO 164 CO 1.05 0.00 -0.89 1.88 -0.23 0.00 0.00 178.00 179.81 1ydg h TYR 165 N 0.00 0.13 0.00 1.56 0.99 -1.92 -0.57 116.97 117.16 1ydg h TYR 165 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1ydg h TYR 165 Cb 0.69 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.41 1ydg h TYR 165 CO 0.00 0.93 0.00 0.41 -0.00 0.00 0.00 178.16 179.50 1ydg n GLY 166 N 0.96 2.30 3.75 3.88 0.00 -1.17 -4.48 105.19 110.43 1ydg n GLY 166 Ca -0.02 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1ydg n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg n ALA 167 N -0.71 2.58 -3.62 4.61 0.00 -1.24 -4.72 120.51 117.40 1ydg n ALA 167 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 1ydg n ALA 167 Cb 0.00 -2.47 -0.15 0.00 0.00 0.00 0.00 19.45 16.83 1ydg n ALA 167 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ydg s SER 168 N 0.49 0.03 -0.07 0.00 1.04 -1.26 -1.62 113.70 112.31 1ydg s SER 168 Ca 0.64 0.08 0.04 0.00 0.48 0.00 0.00 55.95 57.18 1ydg s SER 168 Cb -0.49 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 1ydg s SER 168 CO 0.49 -0.11 -0.18 -0.69 0.98 0.00 0.00 173.24 173.73 1ydg s VAL 169 N 0.92 2.71 -0.48 5.02 1.01 -0.79 -4.99 120.40 123.79 1ydg s VAL 169 Ca -0.08 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1ydg s VAL 169 Cb -0.11 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1ydg s VAL 169 CO -0.03 0.57 1.13 -0.89 0.00 0.00 0.00 175.10 175.88 1ydg s THR 170 N -0.27 4.21 -0.45 3.92 2.01 -1.26 -2.12 115.64 121.68 1ydg s THR 170 Ca 0.01 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.90 1ydg s THR 170 Cb -0.13 -4.60 0.02 0.00 0.01 0.00 0.00 72.50 67.80 1ydg s THR 170 CO 0.03 -1.02 1.27 0.00 -0.69 0.00 0.00 174.62 174.20 1ydg s ALA 171 N 4.45 3.09 0.00 7.40 0.00 0.74 -4.85 121.76 132.58 1ydg s ALA 171 Ca 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1ydg s ALA 171 Cb -0.07 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1ydg s ALA 171 CO 0.31 -2.35 0.46 0.27 0.00 0.00 0.00 175.76 174.46 1ydg n ASN 172 N 8.34 0.74 0.00 0.00 0.23 -1.26 -4.39 115.26 118.92 1ydg n ASN 172 Ca 0.14 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1ydg n ASN 172 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1ydg n ASN 172 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ydg n GLY 173 N -0.10 2.47 3.89 4.83 0.00 -1.26 -5.05 105.19 109.97 1ydg n GLY 173 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ydg n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ydg s GLN 174 N -0.48 3.05 0.68 1.61 -1.52 -1.26 -5.03 119.66 116.71 1ydg s GLN 174 Ca 0.00 0.39 -0.16 0.00 -1.95 0.00 0.00 55.36 53.64 1ydg s GLN 174 Cb 0.00 -2.11 0.01 0.00 -0.22 0.00 0.00 33.01 30.69 1ydg s GLN 174 CO 0.00 -0.82 1.19 -2.14 -0.25 0.00 0.00 175.29 173.27 1ydg s PRO 175 N -5.20 2.49 0.10 2.91 0.02 -1.26 -4.91 135.00 129.14 1ydg s PRO 175 Ca 0.56 1.73 -0.34 0.00 0.02 0.00 0.00 61.00 62.96 1ydg s PRO 175 Cb -0.11 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.39 1ydg s PRO 175 CO 0.50 -1.56 1.61 1.28 -0.33 0.00 0.00 177.00 178.51 1ydg n LEU 176 N -2.33 2.99 -4.75 -5.54 4.32 -1.26 -4.94 117.00 105.49 1ydg n LEU 176 Ca 0.13 1.07 -0.37 0.00 -0.02 0.00 0.00 56.01 56.82 1ydg n LEU 176 Cb 0.50 -1.38 0.04 0.00 -1.62 0.00 0.00 43.42 40.96 1ydg n LEU 176 CO 0.47 -0.33 0.88 -0.76 -1.22 0.00 0.00 177.39 176.43 1ydg s LEU 177 N 1.53 3.70 0.35 2.23 1.43 -1.26 -4.88 118.68 121.78 1ydg s LEU 177 Ca 0.82 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.44 1ydg s LEU 177 Cb -0.72 -4.53 0.63 0.00 0.03 0.00 0.00 46.19 41.60 1ydg s LEU 177 CO 0.42 -1.64 2.01 -0.08 0.23 0.00 0.00 176.35 177.29 1ydg h GLU 178 N 0.98 0.83 -0.28 1.70 4.57 -2.00 -1.80 114.58 118.57 1ydg h GLU 178 Ca -0.51 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 57.48 1ydg h GLU 178 Cb 1.30 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1ydg h GLU 178 CO 0.55 0.55 -0.40 -0.91 -1.18 0.00 0.00 179.01 177.63 1ydg h ASN 179 N 0.85 0.72 -0.48 1.04 2.35 -1.93 -1.42 115.58 116.72 1ydg h ASN 179 Ca 0.23 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1ydg h ASN 179 Cb -0.09 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1ydg h ASN 179 CO -0.05 1.03 0.10 0.44 -1.65 0.00 0.00 177.43 177.31 1ydg h ASP 180 N 0.56 0.73 -0.47 5.81 3.32 -1.80 -2.00 116.42 122.56 1ydg h ASP 180 Ca 0.05 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1ydg h ASP 180 Cb 0.93 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1ydg h ASP 180 CO 0.08 0.79 0.29 0.03 -1.72 0.00 0.00 179.24 178.71 1ydg h ARG 181 N 0.65 0.57 -0.17 3.56 3.08 -1.06 -1.36 114.38 119.65 1ydg h ARG 181 Ca 0.15 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1ydg h ARG 181 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ydg h ARG 181 CO 0.00 0.38 -0.23 0.00 -1.07 0.00 0.00 179.97 179.05 1ydg h ALA 182 N 1.20 1.30 -0.39 0.04 0.00 -1.21 -0.91 119.26 119.29 1ydg h ALA 182 Ca 0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1ydg h ALA 182 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ydg h ALA 182 CO -0.07 0.47 -0.27 0.77 0.00 0.00 0.00 179.25 180.15 1ydg h SER 183 N 0.28 0.84 0.14 0.00 0.02 -0.83 -1.19 113.55 112.81 1ydg h SER 183 Ca 0.05 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1ydg h SER 183 Cb 0.56 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1ydg h SER 183 CO 0.04 1.06 -0.07 0.40 -1.14 0.00 0.00 176.83 177.13 1ydg h ILE 184 N 0.70 0.94 -0.99 3.27 2.04 -0.80 -2.20 117.51 120.47 1ydg h ILE 184 Ca 0.09 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1ydg h ILE 184 Cb 0.81 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 1ydg h ILE 184 CO 0.07 0.07 0.64 0.03 0.00 0.00 0.00 178.15 178.96 1ydg h ARG 185 N -0.33 1.14 -0.12 2.37 3.08 -1.14 -1.71 114.38 117.67 1ydg h ARG 185 Ca -0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1ydg h ARG 185 Cb 0.26 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ydg h ARG 185 CO 0.03 0.75 -0.01 1.25 -1.07 0.00 0.00 179.97 180.93 1ydg h HIS 186 N 1.17 0.23 -0.69 3.04 2.76 -1.12 -0.83 115.15 119.72 1ydg h HIS 186 Ca 0.42 -0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.66 1ydg h HIS 186 Cb 0.14 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 28.95 1ydg h HIS 186 CO -0.01 0.47 0.27 0.37 -1.30 0.00 0.00 177.93 177.73 1ydg h GLN 187 N -0.08 0.42 0.05 5.26 4.15 -1.11 0.11 115.11 123.91 1ydg h GLN 187 Ca 0.03 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1ydg h GLN 187 Cb 0.39 -0.10 0.02 0.00 0.21 0.00 0.00 27.48 28.00 1ydg h GLN 187 CO 0.01 0.28 -0.78 0.28 -1.93 0.00 0.00 178.83 176.69 1ydg h VAL 188 N 0.44 1.41 0.13 2.39 2.07 -1.20 -2.34 116.25 119.15 1ydg h VAL 188 Ca 0.36 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.65 1ydg h VAL 188 Cb 0.50 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 1ydg h VAL 188 CO -0.36 0.66 -0.20 -0.09 0.02 0.00 0.00 177.57 177.60 1ydg h ARG 189 N -0.06 -0.38 -0.50 1.57 2.43 -1.02 0.29 114.38 116.71 1ydg h ARG 189 Ca -0.11 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1ydg h ARG 189 Cb 1.51 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 31.05 1ydg h ARG 189 CO 0.15 -0.25 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.21 1ydg h ARG 190 N -0.40 0.05 -0.68 0.20 2.43 -0.82 -0.89 114.38 114.29 1ydg h ARG 190 Ca 0.02 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1ydg h ARG 190 Cb 0.41 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1ydg h ARG 190 CO -0.10 0.04 0.14 0.37 -1.51 0.00 0.00 179.97 178.90 1ydg h GLN 191 N 0.05 1.09 -0.11 0.20 4.15 -1.05 -0.95 115.11 118.49 1ydg h GLN 191 Ca 0.25 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1ydg h GLN 191 Cb 0.38 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1ydg h GLN 191 CO -0.47 0.98 0.07 0.28 -1.93 0.00 0.00 178.83 177.76 1ydg h VAL 192 N 1.03 1.05 -0.55 2.39 2.07 -0.29 -0.35 116.25 121.60 1ydg h VAL 192 Ca 0.21 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1ydg h VAL 192 Cb 0.39 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1ydg h VAL 192 CO 0.01 0.04 0.36 -0.33 0.02 0.00 0.00 177.57 177.67 1ydg h GLU 193 N 0.13 0.73 -0.44 1.57 5.08 -0.88 -0.08 114.58 120.69 1ydg h GLU 193 Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ydg h GLU 193 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ydg h GLU 193 CO -0.01 0.49 0.25 -0.07 -1.00 0.00 0.00 179.01 178.67 1ydg h LEU 194 N 0.75 0.55 -0.21 1.33 3.38 -1.04 -1.99 115.31 118.08 1ydg h LEU 194 Ca 0.20 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1ydg h LEU 194 Cb -0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1ydg h LEU 194 CO -0.04 0.48 0.01 0.74 0.09 0.00 0.00 178.44 179.72 1ydg h THR 195 N 0.58 0.86 -0.96 0.22 2.02 -0.70 0.27 112.91 115.21 1ydg h THR 195 Ca 0.16 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.36 1ydg h THR 195 Cb 0.05 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1ydg h THR 195 CO -0.03 0.01 0.62 0.00 0.37 0.00 0.00 175.52 176.50 1ydg h ALA 196 N 1.17 1.31 -0.54 6.16 0.00 -0.89 -0.73 119.26 125.75 1ydg h ALA 196 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1ydg h ALA 196 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ydg h ALA 196 CO -0.16 0.43 0.01 0.87 0.00 0.00 0.00 179.25 180.40 1ydg h LYS 197 N 1.15 0.94 -0.56 0.00 1.57 -0.71 -0.84 116.57 118.13 1ydg h LYS 197 Ca 0.40 -0.30 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1ydg h LYS 197 Cb 0.11 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1ydg h LYS 197 CO -0.16 0.96 0.29 1.25 -0.57 0.00 0.00 179.45 181.22 1ydg h LEU 198 N 0.82 0.42 -0.12 2.94 6.46 -0.23 -1.75 115.31 123.85 1ydg h LEU 198 Ca 0.15 0.03 -0.24 0.00 -0.12 0.00 0.00 57.88 57.70 1ydg h LEU 198 Cb 0.53 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1ydg h LEU 198 CO 0.03 0.28 -0.95 -0.07 -0.62 0.00 0.00 178.44 177.11 1ydg h LEU 199 N 0.56 0.75 -0.27 2.25 3.38 -0.98 -2.74 115.31 118.25 1ydg h LEU 199 Ca 0.25 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1ydg h LEU 199 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ydg h LEU 199 CO -0.17 1.37 0.15 -0.08 0.09 0.00 0.00 178.44 179.80 1ydg h GLU 200 N 0.35 0.31 0.00 1.13 4.22 -1.04 -2.99 114.58 116.55 1ydg h GLU 200 Ca -0.09 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1ydg h GLU 200 Cb 1.58 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1ydg h GLU 200 CO 0.18 0.20 0.00 0.78 -2.18 0.00 0.00 179.01 177.99 1ydg h GLY 201 N 0.31 0.00 -1.78 1.92 0.00 -1.33 -2.98 103.07 99.21 1ydg h GLY 201 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ydg h GLY 201 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1ydg n GLY 202 N 0.41 1.28 0.00 4.60 0.00 -1.04 -5.11 105.19 105.34 1ydg n GLY 202 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ydg n GLY 202 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06