#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydg n PRO 4 N 0.00 0.53 -1.72 0.00 -0.02 -1.26 -4.90 135.00 127.63 1ydg n PRO 4 Ca 0.00 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1ydg n PRO 4 Cb 0.00 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 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 -2.71 0.02 -2.82 -1.45 0.31 -1.26 -4.61 118.33 105.80 1ydg n VAL 5 Ca 0.14 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.04 1ydg n VAL 5 Cb 0.49 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.39 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 1.25 3.88 -0.18 5.55 1.02 -1.26 -0.88 119.74 129.12 1ydg s LYS 6 Ca 0.75 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 57.34 1ydg s LYS 6 Cb -0.50 -3.78 -0.01 0.00 -0.52 0.00 0.00 37.83 33.02 1ydg s LYS 6 CO 0.32 -0.89 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.61 1ydg s LEU 7 N 3.38 2.81 -0.25 3.17 2.96 0.58 -0.88 118.68 130.45 1ydg s LEU 7 Ca 0.38 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1ydg s LEU 7 Cb -0.12 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 1ydg s LEU 7 CO 0.17 0.06 -0.00 0.00 -1.32 0.00 0.00 176.35 175.26 1ydg s ALA 8 N 0.99 2.90 -0.45 5.97 0.00 -0.49 -0.47 121.76 130.21 1ydg s ALA 8 Ca -0.01 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1ydg s ALA 8 Cb -0.15 -1.86 0.05 0.00 0.00 0.00 0.00 23.12 21.17 1ydg s ALA 8 CO -0.00 -0.62 0.38 0.42 0.00 0.00 0.00 175.76 175.94 1ydg s ILE 9 N 1.48 5.21 -0.21 0.00 -1.09 0.06 -1.25 121.20 125.40 1ydg s ILE 9 Ca 0.04 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1ydg s ILE 9 Cb -0.15 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1ydg s ILE 9 CO -0.01 -0.50 0.03 -0.69 -1.23 0.00 0.00 174.94 172.54 1ydg s VAL 10 N 1.74 4.24 -0.02 2.92 1.01 0.12 -0.24 120.40 130.18 1ydg s VAL 10 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1ydg s VAL 10 Cb -0.22 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1ydg s VAL 10 CO 0.08 0.41 0.06 0.72 0.00 0.00 0.00 175.10 176.37 1ydg s PHE 11 N 1.02 -0.03 -0.14 5.22 -0.12 -0.52 -1.03 117.98 122.37 1ydg s PHE 11 Ca 0.03 0.08 -0.07 0.00 -0.05 0.00 0.00 56.93 56.92 1ydg s PHE 11 Cb -0.14 -0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1ydg s PHE 11 CO 0.02 -0.06 0.10 -0.47 -0.05 0.00 0.00 175.22 174.76 1ydg s TYR 12 N -0.19 3.43 -0.06 3.49 5.04 0.01 -0.98 117.35 128.09 1ydg s TYR 12 Ca -0.02 0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.94 1ydg s TYR 12 Cb -0.02 -1.99 0.04 0.00 0.35 0.00 0.00 41.96 40.34 1ydg s TYR 12 CO 0.00 0.50 0.13 0.45 -1.34 0.00 0.00 175.55 175.29 1ydg s SER 13 N -0.47 0.04 -0.13 4.32 0.15 -1.26 -4.17 113.70 112.19 1ydg s SER 13 Ca 0.11 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 1ydg s SER 13 Cb -0.12 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1ydg s SER 13 CO 0.02 -0.16 0.00 0.28 1.20 0.00 0.00 173.24 174.58 1ydg h SER 14 N 7.41 0.00 -0.23 5.45 0.02 -1.97 -3.43 113.55 120.80 1ydg h SER 14 Ca -0.39 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ydg h SER 14 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1ydg h SER 14 CO 0.39 0.71 0.00 0.35 -1.14 0.00 0.00 176.83 177.14 1ydg n THR 15 N -4.68 1.41 0.00 -2.27 -2.24 -1.26 -4.30 114.28 100.94 1ydg n THR 15 Ca -0.06 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 1ydg n THR 15 Cb 0.19 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.12 1.15 0.07 3.38 0.00 -1.26 -4.85 105.19 103.56 1ydg n GLY 16 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 1.13 -0.68 2.61 2.02 -1.96 -1.70 112.91 114.33 1ydg h THR 17 Ca 0.00 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1ydg h THR 17 Cb 0.00 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1ydg h THR 17 CO 0.00 0.15 0.45 1.23 0.37 0.00 0.00 175.52 177.71 1ydg h GLY 18 N -0.33 0.89 0.87 2.16 0.00 -1.93 -1.55 103.07 103.18 1ydg h GLY 18 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1ydg h GLY 18 CO 0.01 0.23 0.07 -1.82 0.00 0.00 0.00 176.54 175.02 1ydg h TYR 19 N 0.73 0.32 -0.89 5.60 3.20 -1.81 0.10 116.97 124.22 1ydg h TYR 19 Ca 0.29 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1ydg h TYR 19 Cb 0.21 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1ydg h TYR 19 CO -0.00 0.39 0.52 0.00 -1.64 0.00 0.00 178.16 177.43 1ydg h ALA 20 N 0.89 1.13 -0.35 1.82 0.00 -1.00 -0.66 119.26 121.09 1ydg h ALA 20 Ca 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ydg h ALA 20 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ydg h ALA 20 CO -0.00 0.61 0.02 0.52 0.00 0.00 0.00 179.25 180.39 1ydg h MET 21 N 1.23 0.61 -0.37 0.00 2.86 -1.11 -2.47 114.93 115.68 1ydg h MET 21 Ca 0.32 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 1ydg h MET 21 Cb -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1ydg h MET 21 CO -0.06 0.72 -0.28 0.00 1.06 0.00 0.00 176.91 178.35 1ydg h ALA 22 N 0.87 0.81 -0.91 6.32 0.00 -0.56 -1.14 119.26 124.65 1ydg h ALA 22 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ydg h ALA 22 Cb 0.43 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ydg h ALA 22 CO 0.01 0.64 0.51 1.96 0.00 0.00 0.00 179.25 182.38 1ydg h GLN 23 N 0.67 1.27 -0.22 0.00 4.20 -1.09 0.13 115.11 120.06 1ydg h GLN 23 Ca 0.08 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ydg h GLN 23 Cb 0.80 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1ydg h GLN 23 CO 0.07 0.92 0.12 1.49 -0.67 0.00 0.00 178.83 180.75 1ydg h GLU 24 N 1.27 0.31 -0.26 1.46 4.57 -1.20 -0.80 114.58 119.94 1ydg h GLU 24 Ca 0.32 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1ydg h GLU 24 Cb 0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1ydg h GLU 24 CO -0.05 0.29 0.11 0.00 -1.18 0.00 0.00 179.01 178.18 1ydg h ALA 25 N 1.00 0.30 -0.53 2.92 0.00 -0.99 -0.16 119.26 121.80 1ydg h ALA 25 Ca 0.08 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ydg h ALA 25 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ydg h ALA 25 CO -0.01 -0.30 0.33 0.00 0.00 0.00 0.00 179.25 179.27 1ydg h ALA 26 N 1.15 0.67 -0.75 0.00 0.00 -0.60 -0.89 119.26 118.84 1ydg h ALA 26 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ydg h ALA 26 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ydg h ALA 26 CO -0.10 0.07 0.37 1.49 0.00 0.00 0.00 179.25 181.08 1ydg h GLU 27 N 0.67 1.08 -0.96 0.00 4.57 -0.96 -2.13 114.58 116.84 1ydg h GLU 27 Ca 0.20 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1ydg h GLU 27 Cb -0.03 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.31 1ydg h GLU 27 CO -0.07 0.84 0.63 0.00 -1.18 0.00 0.00 179.01 179.23 1ydg h ALA 28 N 1.19 1.37 -0.36 2.92 0.00 -0.60 -0.92 119.26 122.86 1ydg h ALA 28 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ydg h ALA 28 Cb 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ydg h ALA 28 CO -0.03 0.54 0.10 0.78 0.00 0.00 0.00 179.25 180.64 1ydg h GLY 29 N 1.22 0.62 0.91 0.00 0.00 -0.77 -1.95 103.07 103.11 1ydg h GLY 29 Ca 0.38 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1ydg h GLY 29 CO -0.11 0.35 0.06 3.21 0.00 0.00 0.00 176.54 180.05 1ydg h ARG 30 N 0.44 0.13 -0.79 4.80 3.08 -1.16 -1.21 114.38 119.66 1ydg h ARG 30 Ca 0.12 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.28 1ydg h ARG 30 Cb 0.28 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1ydg h ARG 30 CO -0.00 0.09 0.52 0.00 -1.07 0.00 0.00 179.97 179.50 1ydg h ALA 31 N 1.08 1.91 -0.02 0.04 0.00 -1.03 0.26 119.26 121.49 1ydg h ALA 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ydg h ALA 31 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ydg h ALA 31 CO -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1ydg n ALA 32 N -2.47 2.61 -0.55 0.00 0.00 -0.74 -4.91 120.51 114.44 1ydg n ALA 32 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ydg n ALA 32 Cb 0.43 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.88 0.68 3.89 0.00 0.00 0.08 -4.94 105.19 105.79 1ydg n GLY 33 Ca 0.16 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 3.56 -0.20 4.61 0.00 -0.50 -4.28 121.76 122.95 1ydg s ALA 34 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 1ydg s ALA 34 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 1ydg s ALA 34 CO 0.00 0.33 0.83 -2.00 0.00 0.00 0.00 175.76 174.92 1ydg s GLU 35 N -3.26 4.25 -0.09 0.00 2.12 -0.06 -4.31 118.70 117.35 1ydg s GLU 35 Ca 0.46 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.79 1ydg s GLU 35 Cb -0.11 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1ydg s GLU 35 CO 0.26 -0.40 -0.13 0.08 -0.54 0.00 0.00 175.26 174.53 1ydg s VAL 36 N 2.43 3.13 -0.21 3.70 1.01 -1.26 -0.31 120.40 128.88 1ydg s VAL 36 Ca 0.37 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ydg s VAL 36 Cb -0.16 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1ydg s VAL 36 CO 0.10 0.55 -0.08 -0.13 0.00 0.00 0.00 175.10 175.55 1ydg s ARG 37 N -0.16 3.29 -0.33 2.72 0.52 0.38 -4.98 118.95 120.38 1ydg s ARG 37 Ca -0.00 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 54.38 1ydg s ARG 37 Cb -0.13 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1ydg s ARG 37 CO 0.03 -0.19 0.40 -1.17 0.02 0.00 0.00 175.30 174.39 1ydg s LEU 38 N 1.41 4.37 -0.05 2.53 2.96 -1.26 -0.76 118.68 127.87 1ydg s LEU 38 Ca 0.05 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1ydg s LEU 38 Cb -0.14 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1ydg s LEU 38 CO -0.05 -0.35 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.79 1ydg s LEU 39 N 2.11 1.47 0.20 -0.68 1.43 0.67 -4.28 118.68 119.59 1ydg s LEU 39 Ca 0.14 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1ydg s LEU 39 Cb -0.16 -0.60 -0.08 0.00 0.03 0.00 0.00 46.19 45.38 1ydg s LEU 39 CO 0.12 -0.02 0.61 -1.59 0.23 0.00 0.00 176.35 175.70 1ydg s LYS 40 N 0.80 4.00 -0.00 1.70 -2.85 -0.48 -1.44 119.74 121.46 1ydg s LYS 40 Ca -0.13 0.55 -0.30 0.00 -1.00 0.00 0.00 55.97 55.09 1ydg s LYS 40 Cb -0.15 -2.79 -0.03 0.00 -2.06 0.00 0.00 37.83 32.80 1ydg s LYS 40 CO 0.02 0.38 0.97 0.08 0.10 0.00 0.00 175.35 176.90 1ydg s VAL 41 N -1.62 4.88 0.06 1.79 1.01 -0.15 -0.30 120.40 126.07 1ydg s VAL 41 Ca 0.43 2.03 -0.38 0.00 0.00 0.00 0.00 61.98 64.06 1ydg s VAL 41 Cb -0.14 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 31.76 1ydg s VAL 41 CO 0.20 0.17 1.21 -1.14 0.00 0.00 0.00 175.10 175.53 1ydg n ARG 42 N 3.89 0.70 -2.45 2.72 0.63 -1.26 -4.88 116.66 116.01 1ydg n ARG 42 Ca 0.06 0.25 -0.42 0.00 -0.92 0.00 0.00 57.85 56.81 1ydg n ARG 42 Cb 0.51 -1.82 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 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 0.22 4.32 0.00 -0.14 2.56 -1.26 -4.86 118.70 119.53 1ydg s GLU 43 Ca 0.86 1.67 0.11 0.00 0.00 0.00 0.00 54.97 57.61 1ydg s GLU 43 Cb -1.06 -3.61 -0.09 0.00 2.00 0.00 0.00 34.13 31.36 1ydg s GLU 43 CO 0.51 -0.52 0.54 0.25 -0.56 0.00 0.00 175.26 175.48 1ydg n THR 44 N 4.82 0.00 -2.02 -1.70 -2.24 -1.26 -5.03 114.28 106.85 1ydg n THR 44 Ca 0.12 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 1ydg n THR 44 Cb 0.46 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.92 2.80 0.52 6.98 0.00 -1.26 -4.95 121.76 123.93 1ydg s ALA 45 Ca 0.06 1.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 1ydg s ALA 45 Cb 0.09 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1ydg s ALA 45 CO 0.42 -1.06 1.28 -2.14 0.00 0.00 0.00 175.76 174.26 1ydg s PRO 46 N -2.94 3.35 0.40 0.00 0.02 -1.26 -4.87 135.00 129.70 1ydg s PRO 46 Ca 0.70 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.85 1ydg s PRO 46 Cb -0.33 -2.29 0.84 0.00 0.02 0.00 0.00 34.50 32.73 1ydg s PRO 46 CO 0.39 -0.97 2.04 0.37 -0.33 0.00 0.00 177.00 178.50 1ydg h GLN 47 N 1.64 0.52 0.00 5.54 5.75 -1.99 -1.98 115.11 124.59 1ydg h GLN 47 Ca -0.50 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 57.91 1ydg h GLN 47 Cb 1.28 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1ydg h GLN 47 CO 0.58 0.37 -0.23 0.38 -2.65 0.00 0.00 178.83 177.28 1ydg h ASP 48 N 0.54 0.00 0.01 -0.69 2.03 -1.98 0.29 116.42 116.61 1ydg h ASP 48 Ca 0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1ydg h ASP 48 Cb -0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1ydg h ASP 48 CO -0.03 0.23 -0.00 0.58 -1.03 0.00 0.00 179.24 178.99 1ydg h VAL 49 N 0.00 1.51 -0.75 4.15 2.07 -1.74 -3.24 116.25 118.25 1ydg h VAL 49 Ca -0.00 -1.57 0.09 0.00 0.82 0.00 0.00 66.70 66.05 1ydg h VAL 49 Cb 0.53 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 1ydg h VAL 49 CO 0.03 0.40 0.40 0.40 0.02 0.00 0.00 177.57 178.82 1ydg h ILE 50 N -0.68 0.87 0.00 4.57 2.04 -1.03 -1.90 117.51 121.38 1ydg h ILE 50 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1ydg h ILE 50 Cb 0.67 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ydg h ILE 50 CO 0.00 0.12 0.06 0.47 0.00 0.00 0.00 178.15 178.80 1ydg n ASP 51 N -4.82 0.47 -0.01 1.72 8.00 0.96 -1.64 116.55 121.23 1ydg n ASP 51 Ca 0.12 0.70 0.14 0.00 0.71 0.00 0.00 54.79 56.46 1ydg n ASP 51 Cb 0.28 -0.74 0.66 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.31 -1.36 2.66 0.44 0.00 -0.71 -4.81 105.19 100.09 1ydg n GLY 52 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.79 0.11 0.23 1.61 -0.21 -0.65 -5.04 119.66 112.92 1ydg s GLN 53 Ca 0.21 0.07 -0.08 0.00 0.02 0.00 0.00 55.36 55.58 1ydg s GLN 53 Cb 0.20 -1.31 0.25 0.00 1.00 0.00 0.00 33.01 33.14 1ydg s GLN 53 CO 0.51 -0.51 1.86 0.22 -2.12 0.00 0.00 175.29 175.24 1ydg h ASP 54 N 8.40 0.83 0.25 5.90 -0.00 -1.87 -1.84 116.42 128.09 1ydg h ASP 54 Ca -0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.82 1ydg h ASP 54 Cb 1.13 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 40.28 1ydg h ASP 54 CO 0.24 0.57 -0.28 0.00 -0.00 0.00 0.00 179.24 179.77 1ydg h ALA 55 N 1.35 1.49 -0.02 -0.78 0.00 -1.95 0.35 119.26 119.70 1ydg h ALA 55 Ca 0.33 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ydg h ALA 55 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ydg h ALA 55 CO -0.12 0.38 -0.27 2.35 0.00 0.00 0.00 179.25 181.58 1ydg h TRP 56 N 0.05 0.30 -0.49 0.00 2.91 -1.62 -1.78 115.95 115.33 1ydg h TRP 56 Ca 0.01 -0.15 0.02 0.00 1.13 0.00 0.00 58.89 59.89 1ydg h TRP 56 Cb 0.52 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1ydg h TRP 56 CO 0.00 0.93 0.30 0.87 -1.03 0.00 0.00 178.44 179.51 1ydg h LYS 57 N -0.41 0.58 -0.59 2.65 1.57 -1.12 -2.27 116.57 116.99 1ydg h LYS 57 Ca -0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ydg h LYS 57 Cb 0.99 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1ydg h LYS 57 CO 0.05 0.39 0.26 0.00 -0.57 0.00 0.00 179.45 179.58 1ydg h ALA 58 N 1.21 0.76 -0.60 3.86 0.00 -0.98 -2.67 119.26 120.83 1ydg h ALA 58 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ydg h ALA 58 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ydg h ALA 58 CO -0.08 0.34 0.08 -0.97 0.00 0.00 0.00 179.25 178.62 1ydg h ASN 59 N 0.80 0.97 -0.98 0.00 -1.24 -1.21 0.10 115.58 114.03 1ydg h ASN 59 Ca 0.20 -0.27 0.09 0.00 0.71 0.00 0.00 56.30 57.03 1ydg h ASN 59 Cb 0.15 -0.26 -0.07 0.00 0.73 0.00 0.00 38.32 38.87 1ydg h ASN 59 CO -0.02 1.00 0.63 0.40 -1.29 0.00 0.00 177.43 178.14 1ydg h ILE 60 N 0.91 1.00 -0.20 2.57 2.04 -1.31 -0.35 117.51 122.18 1ydg h ILE 60 Ca 0.18 -0.36 -0.18 0.00 1.00 0.00 0.00 64.86 65.51 1ydg h ILE 60 Cb 0.45 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1ydg h ILE 60 CO 0.02 0.19 -0.57 -0.08 0.00 0.00 0.00 178.15 177.70 1ydg h GLU 61 N 1.04 0.73 -0.60 2.37 4.57 -1.10 -3.02 114.58 118.57 1ydg h GLU 61 Ca 0.45 -0.53 0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1ydg h GLU 61 Cb 0.35 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1ydg h GLU 61 CO -0.21 1.15 0.40 0.00 -1.18 0.00 0.00 179.01 179.17 1ydg h ALA 62 N 0.58 1.83 -0.36 2.92 0.00 -0.49 -2.39 119.26 121.35 1ydg h ALA 62 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ydg h ALA 62 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ydg h ALA 62 CO 0.12 0.06 0.00 -1.33 0.00 0.00 0.00 179.25 178.11 1ydg n MET 63 N -4.48 1.94 0.12 0.00 2.81 -0.18 -4.61 117.12 112.73 1ydg n MET 63 Ca 0.09 -1.45 0.09 0.00 -1.81 0.00 0.00 57.70 54.61 1ydg n MET 63 Cb 0.25 -1.35 0.57 0.00 -0.71 0.00 0.00 33.22 31.98 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 2.49 0.19 -0.30 0.03 2.10 -1.30 -0.38 116.57 119.40 1ydg h LYS 64 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ydg h LYS 64 Cb 0.56 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ydg h LYS 64 CO 0.00 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1ydg n ASP 65 N -4.50 2.77 -4.69 7.07 10.43 -1.26 -4.84 116.55 121.53 1ydg n ASP 65 Ca 0.01 -1.89 -0.42 0.00 2.57 0.00 0.00 54.79 55.06 1ydg n ASP 65 Cb 0.17 -0.19 -0.03 0.00 1.84 0.00 0.00 41.12 42.91 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 -1.62 4.80 0.56 2.53 1.01 -0.15 -5.02 120.40 122.50 1ydg s VAL 66 Ca 0.36 2.03 -0.20 0.00 0.00 0.00 0.00 61.98 64.17 1ydg s VAL 66 Cb 0.21 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1ydg s VAL 66 CO 0.29 0.02 1.19 -2.84 0.00 0.00 0.00 175.10 173.76 1ydg s PRO 67 N 1.91 3.20 0.24 2.72 0.02 -1.26 -4.69 135.00 137.13 1ydg s PRO 67 Ca 0.48 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 1ydg s PRO 67 Cb -0.18 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 1ydg s PRO 67 CO 0.19 -1.01 1.02 -1.21 -0.33 0.00 0.00 177.00 175.65 1ydg s GLU 68 N -3.22 4.74 0.32 5.54 2.02 -1.26 -1.38 118.70 125.46 1ydg s GLU 68 Ca 0.74 1.63 -0.29 0.00 0.02 0.00 0.00 54.97 57.07 1ydg s GLU 68 Cb -0.29 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 30.59 1ydg s GLU 68 CO 0.32 0.33 1.26 0.00 0.02 0.00 0.00 175.26 177.19 1ydg s ALA 69 N -0.98 3.47 0.30 5.21 0.00 0.60 -4.84 121.76 125.51 1ydg s ALA 69 Ca 0.44 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1ydg s ALA 69 Cb -0.28 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 1ydg s ALA 69 CO 0.35 -0.54 0.02 0.95 0.00 0.00 0.00 175.76 176.55 1ydg s THR 70 N -1.15 1.25 0.35 0.00 -4.23 -1.26 -4.80 115.64 105.79 1ydg s THR 70 Ca 0.48 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1ydg s THR 70 Cb -0.38 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.12 1ydg s THR 70 CO 0.50 -0.13 1.94 -0.65 -0.54 0.00 0.00 174.62 175.74 1ydg h PRO 71 N 2.22 0.80 -0.01 3.99 0.11 -1.93 -2.12 132.00 135.05 1ydg h PRO 71 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ydg h PRO 71 Cb 1.24 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ydg h PRO 71 CO 0.68 0.53 0.04 0.00 -0.21 0.00 0.00 178.00 179.04 1ydg h ALA 72 N 1.58 1.13 -0.11 -0.75 0.00 -1.98 -0.35 119.26 118.78 1ydg h ALA 72 Ca 0.35 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 1ydg h ALA 72 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ydg h ALA 72 CO -0.12 -0.05 -0.52 -0.44 0.00 0.00 0.00 179.25 178.12 1ydg h ASP 73 N 0.00 0.34 0.44 0.00 3.32 -1.80 -1.48 116.42 117.24 1ydg h ASP 73 Ca 0.00 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.65 1ydg h ASP 73 Cb 0.09 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ydg h ASP 73 CO -0.00 0.80 -0.97 -0.07 -1.72 0.00 0.00 179.24 177.28 1ydg h LEU 74 N 0.24 0.45 -0.46 1.55 3.38 -1.19 -1.22 115.31 118.06 1ydg h LEU 74 Ca 0.01 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1ydg h LEU 74 Cb 1.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ydg h LEU 74 CO 0.08 1.19 0.27 -0.08 0.09 0.00 0.00 178.44 179.99 1ydg h GLU 75 N 0.18 0.63 -0.31 1.13 4.81 -1.43 -2.89 114.58 116.70 1ydg h GLU 75 Ca -0.08 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1ydg h GLU 75 Cb 1.62 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 1ydg h GLU 75 CO 0.16 0.48 0.14 2.35 -0.73 0.00 0.00 179.01 181.41 1ydg h TRP 76 N 0.61 0.25 -3.98 0.92 7.01 -1.22 -3.45 115.95 116.08 1ydg h TRP 76 Ca 0.16 0.01 -0.53 0.00 2.11 0.00 0.00 58.89 60.65 1ydg h TRP 76 Cb 0.02 -0.07 0.09 0.00 -2.10 0.00 0.00 29.16 27.10 1ydg h TRP 76 CO -0.03 0.13 0.59 0.00 -2.79 0.00 0.00 178.44 176.35 1ydg s ALA 77 N -6.17 3.11 -0.08 2.65 0.00 -0.47 -4.86 121.76 115.94 1ydg s ALA 77 Ca -0.13 1.21 0.18 0.00 0.00 0.00 0.00 51.96 53.22 1ydg s ALA 77 Cb 0.11 -3.49 -0.28 0.00 0.00 0.00 0.00 23.12 19.46 1ydg s ALA 77 CO 0.71 -0.92 0.29 0.39 0.00 0.00 0.00 175.76 176.23 1ydg n GLU 78 N -0.25 0.75 -4.54 0.00 1.02 -0.06 -4.93 120.64 112.63 1ydg n GLU 78 Ca 0.06 -0.12 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 1ydg n GLU 78 Cb 0.45 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.02 1.09 -0.03 0.62 0.00 -0.59 -1.56 121.76 118.28 1ydg s ALA 79 Ca -0.08 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1ydg s ALA 79 Cb 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1ydg s ALA 79 CO 0.79 0.18 -0.17 0.42 0.00 0.00 0.00 175.76 176.99 1ydg s ILE 80 N 0.16 1.37 -0.13 0.00 1.01 0.95 -1.39 121.20 123.18 1ydg s ILE 80 Ca -0.04 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1ydg s ILE 80 Cb -0.10 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1ydg s ILE 80 CO 0.01 0.39 -0.17 -0.69 0.00 0.00 0.00 174.94 174.49 1ydg s VAL 81 N -0.16 1.67 -0.12 2.92 1.01 -0.38 -1.69 120.40 123.65 1ydg s VAL 81 Ca 0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1ydg s VAL 81 Cb -0.09 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1ydg s VAL 81 CO 0.01 0.48 0.02 -0.36 0.00 0.00 0.00 175.10 175.24 1ydg s PHE 82 N 1.03 3.19 -0.07 5.22 0.40 -0.84 -0.70 117.98 126.21 1ydg s PHE 82 Ca -0.04 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1ydg s PHE 82 Cb -0.15 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1ydg s PHE 82 CO -0.03 0.35 -0.05 0.45 0.70 0.00 0.00 175.22 176.63 1ydg s SER 83 N -0.45 1.49 -0.00 1.36 0.15 -0.19 -0.96 113.70 115.09 1ydg s SER 83 Ca 0.09 -0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 1ydg s SER 83 Cb -0.12 -0.58 -0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1ydg s SER 83 CO 0.02 -0.09 0.02 -0.55 1.20 0.00 0.00 173.24 173.84 1ydg s SER 84 N 1.32 0.03 0.86 5.45 0.15 -1.05 -0.81 113.70 119.64 1ydg s SER 84 Ca -0.04 -0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 1ydg s SER 84 Cb -0.14 0.06 0.11 0.00 -1.71 0.00 0.00 66.02 64.35 1ydg s SER 84 CO -0.03 -0.08 1.09 -2.16 1.20 0.00 0.00 173.24 173.27 1ydg s PRO 85 N -0.31 1.50 0.32 5.44 0.04 -1.26 -3.48 135.00 137.25 1ydg s PRO 85 Ca -0.04 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 61.74 1ydg s PRO 85 Cb -0.02 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 1ydg s PRO 85 CO -0.00 -2.12 0.96 -0.08 0.04 0.00 0.00 177.00 175.79 1ydg s THR 86 N -2.88 4.15 -0.30 1.26 -1.32 0.10 -3.65 115.64 112.99 1ydg s THR 86 Ca 0.63 1.79 0.01 0.00 -1.21 0.00 0.00 61.69 62.91 1ydg s THR 86 Cb -0.18 -4.00 0.09 0.00 -1.51 0.00 0.00 72.50 66.90 1ydg s THR 86 CO 0.57 0.15 0.04 -0.13 -2.21 0.00 0.00 174.62 173.04 1ydg s ARG 87 N -2.04 1.24 -1.59 7.08 1.81 0.05 -4.84 118.95 120.66 1ydg s ARG 87 Ca 0.50 -1.33 -0.15 0.00 -1.72 0.00 0.00 55.73 53.03 1ydg s ARG 87 Cb -0.19 -2.59 0.11 0.00 -0.45 0.00 0.00 34.95 31.83 1ydg s ARG 87 CO 0.25 -0.86 0.90 1.19 -0.68 0.00 0.00 175.30 176.10 1ydg n PHE 88 N 4.59 -2.08 -0.73 -0.53 3.72 -1.26 -1.89 117.46 119.28 1ydg n PHE 88 Ca -0.03 0.86 0.00 0.00 -0.05 0.00 0.00 57.45 58.24 1ydg n PHE 88 Cb 0.43 -3.61 0.00 0.00 -0.94 0.00 0.00 39.48 35.36 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 -1.59 0.80 3.52 1.37 0.00 -1.26 -5.03 105.19 103.00 1ydg n GLY 89 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ydg n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ydg n GLY 90 N -2.20 3.48 3.84 -0.02 0.00 -0.79 -2.85 105.19 106.65 1ydg n GLY 90 Ca 0.00 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 1ydg n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydg s ALA 91 N -2.93 2.71 0.63 4.61 0.00 -1.26 -0.77 121.76 124.74 1ydg s ALA 91 Ca 0.06 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1ydg s ALA 91 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1ydg s ALA 91 CO 0.04 -1.22 1.23 0.25 0.00 0.00 0.00 175.76 176.06 1ydg n THR 92 N -3.10 4.60 0.12 0.00 -2.24 -1.24 -4.50 114.28 107.92 1ydg n THR 92 Ca 0.07 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1ydg n THR 92 Cb 0.55 -1.44 0.64 0.00 -2.10 0.00 0.00 70.33 67.98 1ydg n THR 92 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ydg h SER 93 N 0.61 0.05 -0.18 3.42 4.64 -1.96 -1.11 113.55 119.02 1ydg h SER 93 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1ydg h SER 93 Cb 1.34 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1ydg h SER 93 CO 0.53 0.03 0.07 1.56 -0.87 0.00 0.00 176.83 178.15 1ydg h GLN 94 N 0.06 0.28 -0.32 4.77 7.50 -1.91 0.16 115.11 125.65 1ydg h GLN 94 Ca 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 58.65 59.20 1ydg h GLN 94 Cb 0.41 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1ydg h GLN 94 CO -0.01 0.37 0.13 1.98 -1.50 0.00 0.00 178.83 179.80 1ydg h MET 95 N 0.13 0.47 -0.71 1.46 4.05 -1.74 -2.28 114.93 116.31 1ydg h MET 95 Ca 0.06 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1ydg h MET 95 Cb 0.20 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1ydg h MET 95 CO -0.00 0.48 0.47 0.00 0.23 0.00 0.00 176.91 178.08 1ydg h ARG 96 N 0.37 0.88 -0.84 0.39 2.47 -1.08 -0.96 114.38 115.61 1ydg h ARG 96 Ca 0.11 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 1ydg h ARG 96 Cb 0.18 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.26 1ydg h ARG 96 CO -0.01 0.58 0.41 0.00 0.56 0.00 0.00 179.97 181.52 1ydg h ALA 97 N 1.57 1.15 -0.09 0.04 0.00 -0.39 0.22 119.26 121.77 1ydg h ALA 97 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ydg h ALA 97 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1ydg h ALA 97 CO -0.07 0.65 0.00 0.35 0.00 0.00 0.00 179.25 180.18 1ydg h PHE 98 N 1.19 0.16 -0.73 0.00 3.57 -0.77 -2.95 116.94 117.41 1ydg h PHE 98 Ca 0.29 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.92 1ydg h PHE 98 Cb 0.10 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.69 1ydg h PHE 98 CO 0.01 0.40 0.19 0.82 -2.23 0.00 0.00 178.31 177.50 1ydg h ILE 99 N -0.12 0.53 0.00 1.41 2.04 -0.82 -1.01 117.51 119.53 1ydg h ILE 99 Ca 0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1ydg h ILE 99 Cb 0.34 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ydg h ILE 99 CO 0.00 0.05 -0.00 0.44 0.00 0.00 0.00 178.15 178.64 1ydg h ASP 100 N 0.28 0.00 -0.01 1.72 5.19 -0.40 -1.30 116.42 121.90 1ydg h ASP 100 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1ydg h ASP 100 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1ydg h ASP 100 CO -0.50 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 175.98 1ydg n THR 101 N -3.11 0.01 0.84 0.35 -2.24 -0.38 -3.70 114.28 106.05 1ydg n THR 101 Ca -0.02 -0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 1ydg n THR 101 Cb 0.15 -0.14 0.26 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.56 2.14 -0.32 3.22 4.77 -0.49 -4.40 117.00 121.36 1ydg n LEU 102 Ca 0.21 -1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.16 1ydg n LEU 102 Cb 0.19 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1ydg n LEU 102 CO 0.17 0.50 1.21 1.23 -1.33 0.00 0.00 177.39 179.16 1ydg h GLY 103 N 5.01 1.25 1.00 -0.72 0.00 -1.77 -0.35 103.07 107.50 1ydg h GLY 103 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ydg h GLY 103 CO 0.00 0.49 0.19 -1.33 0.00 0.00 0.00 176.54 175.89 1ydg h GLY 104 N 1.19 0.40 1.10 4.60 0.00 -1.91 -1.77 103.07 106.68 1ydg h GLY 104 Ca 0.31 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 1ydg h GLY 104 CO -0.06 0.15 -0.10 1.41 0.00 0.00 0.00 176.54 177.94 1ydg h LEU 105 N 0.38 1.05 -0.03 3.11 4.07 -1.81 -2.90 115.31 119.18 1ydg h LEU 105 Ca 0.10 -0.34 0.03 0.00 0.08 0.00 0.00 57.88 57.74 1ydg h LEU 105 Cb -0.04 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.38 1ydg h LEU 105 CO -0.02 1.15 -0.13 -0.25 -1.08 0.00 0.00 178.44 178.10 1ydg h TRP 106 N 0.93 -0.34 0.00 1.13 7.01 -1.01 -1.25 115.95 122.43 1ydg h TRP 106 Ca 0.15 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1ydg h TRP 106 Cb 0.67 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1ydg h TRP 106 CO 0.05 -0.20 0.00 0.66 -2.79 0.00 0.00 178.44 176.16 1ydg h SER 107 N -0.21 0.00 0.10 2.65 4.64 -1.27 -0.73 113.55 118.73 1ydg h SER 107 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ydg h SER 107 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1ydg h SER 107 CO -0.15 0.00 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.16 1ydg n SER 108 N -3.01 1.27 -0.34 4.97 3.41 -1.10 -4.94 113.62 113.88 1ydg n SER 108 Ca 0.01 -1.22 -0.04 0.00 -0.26 0.00 0.00 58.87 57.35 1ydg n SER 108 Cb 0.30 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1ydg n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ydg n GLY 109 N 1.25 0.71 0.42 5.00 0.00 -0.28 -4.92 105.19 107.37 1ydg n GLY 109 Ca 0.16 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.36 1.50 0.00 1.61 5.02 -0.51 -3.12 118.16 120.30 1ydg n LYS 110 Ca -0.04 -0.63 0.05 0.00 -2.02 0.00 0.00 58.31 55.67 1ydg n LYS 110 Cb 0.21 -1.25 0.02 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.02 1.56 -4.78 -0.35 4.77 -1.26 -4.62 117.00 112.35 1ydg n LEU 111 Ca 0.06 -0.90 -0.36 0.00 -0.03 0.00 0.00 56.01 54.77 1ydg n LEU 111 Cb 0.21 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1ydg n LEU 111 CO 0.05 0.31 0.79 0.00 -1.33 0.00 0.00 177.39 177.20 1ydg s ALA 112 N -1.02 2.92 -0.19 -1.18 0.00 -1.13 -3.81 121.76 117.36 1ydg s ALA 112 Ca 0.10 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1ydg s ALA 112 Cb 0.08 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1ydg s ALA 112 CO 0.17 -0.57 0.00 0.09 0.00 0.00 0.00 175.76 175.45 1ydg n ASN 113 N -0.64 -3.99 -4.85 0.00 3.02 -0.34 -4.94 115.26 103.53 1ydg n ASN 113 Ca 0.08 0.04 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 1ydg n ASN 113 Cb 0.49 -1.65 -0.06 0.00 -0.61 0.00 0.00 39.78 37.96 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 -1.16 3.95 0.44 3.52 1.02 -1.25 -4.81 119.74 121.46 1ydg s LYS 114 Ca 0.00 0.46 -0.20 0.00 0.02 0.00 0.00 55.97 56.25 1ydg s LYS 114 Cb 0.00 -2.89 -0.11 0.00 -0.52 0.00 0.00 37.83 34.32 1ydg s LYS 114 CO 0.00 0.45 0.96 0.95 -0.92 0.00 0.00 175.35 176.79 1ydg s THR 115 N -1.52 4.38 -0.05 2.17 -4.23 -0.60 -0.68 115.64 115.12 1ydg s THR 115 Ca 0.39 1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 62.32 1ydg s THR 115 Cb -0.14 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1ydg s THR 115 CO 0.19 -0.36 0.11 0.12 -0.54 0.00 0.00 174.62 174.15 1ydg s PHE 116 N -2.22 -0.12 0.23 3.99 5.36 -0.66 -0.03 117.98 124.52 1ydg s PHE 116 Ca 0.62 0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 56.93 1ydg s PHE 116 Cb -0.09 -0.06 -0.03 0.00 -0.34 0.00 0.00 43.02 42.50 1ydg s PHE 116 CO 0.15 -0.11 0.21 -1.54 -1.46 0.00 0.00 175.22 172.47 1ydg s SER 117 N 0.72 0.31 0.04 6.13 1.04 -0.68 -0.86 113.70 120.40 1ydg s SER 117 Ca -0.06 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 54.99 1ydg s SER 117 Cb -0.07 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1ydg s SER 117 CO -0.03 -0.92 -0.02 0.00 0.98 0.00 0.00 173.24 173.25 1ydg s ALA 118 N -4.02 0.35 0.15 5.32 0.00 -1.26 -1.99 121.76 120.31 1ydg s ALA 118 Ca 0.37 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1ydg s ALA 118 Cb 0.05 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1ydg s ALA 118 CO 0.14 -0.31 -0.05 -1.64 0.00 0.00 0.00 175.76 173.90 1ydg s MET 119 N -3.12 1.04 0.35 0.00 -1.94 -0.13 -3.71 119.30 111.79 1ydg s MET 119 Ca -0.01 -1.47 -0.12 0.00 -1.71 0.00 0.00 55.69 52.39 1ydg s MET 119 Cb 0.02 -0.38 0.03 0.00 2.01 0.00 0.00 34.83 36.51 1ydg s MET 119 CO -0.07 -0.04 0.66 -0.08 -0.01 0.00 0.00 175.02 175.48 1ydg s THR 120 N -3.53 0.00 0.06 2.05 -1.32 -0.33 -2.53 115.64 110.03 1ydg s THR 120 Ca 0.19 -1.22 -0.14 0.00 -1.21 0.00 0.00 61.69 59.31 1ydg s THR 120 Cb 0.05 -2.67 0.02 0.00 -1.51 0.00 0.00 72.50 68.39 1ydg s THR 120 CO 0.01 0.00 0.33 -0.94 -2.21 0.00 0.00 174.62 171.81 1ydg s SER 121 N -3.10 -0.14 0.18 8.08 1.04 -1.23 -1.43 113.70 117.10 1ydg s SER 121 Ca 0.20 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 1ydg s SER 121 Cb -0.03 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1ydg s SER 121 CO 0.14 -0.68 0.37 0.00 0.98 0.00 0.00 173.24 174.05 1ydg s ALA 122 N -2.92 -0.30 -0.53 5.32 0.00 -0.61 -0.73 121.76 122.00 1ydg s ALA 122 Ca -0.02 -0.69 0.26 0.00 0.00 0.00 0.00 51.96 51.50 1ydg s ALA 122 Cb 0.00 0.88 0.73 0.00 0.00 0.00 0.00 23.12 24.73 1ydg s ALA 122 CO -0.06 -0.71 1.74 1.96 0.00 0.00 0.00 175.76 178.69 1ydg h GLN 123 N 2.42 0.00 -6.36 0.00 4.20 -1.87 0.31 115.11 113.80 1ydg h GLN 123 Ca -0.30 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.71 1ydg h GLN 123 Cb 1.24 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.72 1ydg h GLN 123 CO 0.44 0.00 -0.88 -0.80 -0.67 0.00 0.00 178.83 176.91 1ydg s ASN 124 N -5.15 3.09 0.27 1.46 0.01 -1.26 -4.70 114.94 108.66 1ydg s ASN 124 Ca 0.08 -0.48 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 1ydg s ASN 124 Cb 0.09 -0.56 0.37 0.00 0.41 0.00 0.00 41.25 41.56 1ydg s ASN 124 CO 0.59 0.29 1.79 1.62 -1.51 0.00 0.00 177.10 179.88 1ydg h VAL 125 N 4.72 1.23 -0.43 1.60 3.04 -1.96 -2.11 116.25 122.34 1ydg h VAL 125 Ca -0.39 -0.91 -0.12 0.00 -1.01 0.00 0.00 66.70 64.27 1ydg h VAL 125 Cb 1.14 0.79 -0.07 0.00 -2.01 0.00 0.00 31.29 31.14 1ydg h VAL 125 CO 0.47 0.33 0.07 0.59 -1.01 0.00 0.00 177.57 178.02 1ydg n ASN 126 N -4.24 3.73 -2.06 3.17 5.03 -1.26 -4.54 115.26 115.09 1ydg n ASN 126 Ca 0.03 -3.31 -0.24 0.00 0.87 0.00 0.00 54.58 51.93 1ydg n ASN 126 Cb 0.27 -0.63 0.07 0.00 -1.02 0.00 0.00 39.78 38.46 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 -0.62 4.76 0.00 7.41 0.00 -0.79 -4.66 105.19 111.29 1ydg n GLY 127 Ca 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.30 1.32 0.14 -0.02 0.00 -1.26 -4.44 105.19 100.63 1ydg n GLY 128 Ca 0.45 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.60 1ydg n GLY 128 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ydg h GLN 129 N 1.10 0.00 0.00 1.61 4.20 -1.83 -2.14 115.11 118.05 1ydg h GLN 129 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 1ydg h GLN 129 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1ydg h GLN 129 CO 0.00 0.00 -2.37 0.39 -0.67 0.00 0.00 178.83 176.18 1ydg n GLU 130 N -2.36 0.54 0.03 1.46 1.02 -1.26 -4.49 120.64 115.57 1ydg n GLU 130 Ca 0.03 0.21 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 1ydg n GLU 130 Cb 0.28 -1.41 0.21 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.65 1.26 -0.51 2.62 1.35 -1.82 -1.86 112.91 113.31 1ydg h THR 131 Ca -0.60 -1.26 -0.03 0.00 -0.55 0.00 0.00 66.41 63.97 1ydg h THR 131 Cb 1.62 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 1ydg h THR 131 CO -0.30 0.40 0.20 0.74 -0.25 0.00 0.00 175.52 176.31 1ydg h THR 132 N 0.40 1.21 -0.11 6.82 2.02 -1.23 -1.10 112.91 120.92 1ydg h THR 132 Ca 0.06 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1ydg h THR 132 Cb 0.66 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1ydg h THR 132 CO 0.05 0.25 0.07 -0.07 0.37 0.00 0.00 175.52 176.19 1ydg h LEU 133 N 0.69 0.13 -0.88 2.58 3.38 -1.70 -2.57 115.31 116.93 1ydg h LEU 133 Ca 0.17 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1ydg h LEU 133 Cb 0.20 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1ydg h LEU 133 CO -0.01 0.13 0.53 -0.61 0.09 0.00 0.00 178.44 178.57 1ydg h GLN 134 N 0.12 0.90 -0.67 1.13 4.15 -0.93 -0.20 115.11 119.60 1ydg h GLN 134 Ca 0.04 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1ydg h GLN 134 Cb 0.02 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 1ydg h GLN 134 CO -0.01 0.59 0.19 1.79 -1.93 0.00 0.00 178.83 179.47 1ydg h THR 135 N 0.92 1.25 -0.32 2.39 1.35 -0.92 -0.66 112.91 116.92 1ydg h THR 135 Ca 0.41 -0.88 -0.13 0.00 -0.55 0.00 0.00 66.41 65.26 1ydg h THR 135 Cb 0.29 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1ydg h THR 135 CO -0.22 0.34 -0.32 -0.07 -0.25 0.00 0.00 175.52 175.00 1ydg h LEU 136 N 1.00 0.73 -0.60 3.87 3.38 -0.94 -2.46 115.31 120.28 1ydg h LEU 136 Ca 0.22 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1ydg h LEU 136 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ydg h LEU 136 CO -0.01 1.00 0.04 1.88 0.09 0.00 0.00 178.44 181.44 1ydg h TYR 137 N 0.59 1.11 -0.91 1.13 0.05 -0.70 -2.62 116.97 115.63 1ydg h TYR 137 Ca 0.07 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.67 1ydg h TYR 137 Cb 0.84 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 1ydg h TYR 137 CO 0.04 0.98 0.59 0.52 -1.05 0.00 0.00 178.16 179.23 1ydg h MET 138 N 0.93 1.20 -0.15 4.88 2.86 -1.03 -2.04 114.93 121.58 1ydg h MET 138 Ca 0.18 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1ydg h MET 138 Cb 0.50 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1ydg h MET 138 CO 0.02 0.81 -0.04 1.15 1.06 0.00 0.00 176.91 179.91 1ydg h THR 139 N 1.23 0.84 0.00 2.22 2.02 -1.28 -2.33 112.91 115.61 1ydg h THR 139 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 1ydg h THR 139 Cb -0.12 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1ydg h THR 139 CO -0.07 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.72 1ydg h ALA 140 N 1.15 1.47 -0.23 6.16 0.00 -1.06 -1.26 119.26 125.48 1ydg h ALA 140 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ydg h ALA 140 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ydg h ALA 140 CO -0.16 0.12 -0.02 0.52 0.00 0.00 0.00 179.25 179.72 1ydg h MET 141 N 0.00 0.35 0.00 0.00 2.86 -0.80 -2.13 114.93 115.21 1ydg h MET 141 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1ydg h MET 141 Cb 0.23 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1ydg h MET 141 CO 0.01 0.39 -0.08 0.45 1.06 0.00 0.00 176.91 178.75 1ydg h HIS 142 N 0.34 0.00 -0.01 -0.22 3.86 -1.23 -2.18 115.15 115.71 1ydg h HIS 142 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1ydg h HIS 142 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1ydg h HIS 142 CO 0.01 0.08 -0.27 0.91 0.86 0.00 0.00 177.93 179.51 1ydg n TRP 143 N -3.44 0.00 -2.54 2.45 8.01 -0.82 -4.94 117.44 116.16 1ydg n TRP 143 Ca -0.02 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.05 1ydg n TRP 143 Cb 0.22 -0.11 0.01 0.00 -2.01 0.00 0.00 31.31 29.42 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 1.35 -0.02 3.78 6.99 0.00 -0.82 -2.84 105.19 113.63 1ydg n GLY 144 Ca 0.12 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.79 2.28 -0.32 4.61 0.00 -1.07 -1.20 121.76 123.27 1ydg s ALA 145 Ca 0.12 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 1ydg s ALA 145 Cb -0.05 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1ydg s ALA 145 CO 0.14 -1.69 0.08 0.08 0.00 0.00 0.00 175.76 174.37 1ydg s VAL 146 N -2.97 3.64 -0.06 0.00 1.01 0.15 -4.83 120.40 117.33 1ydg s VAL 146 Ca 0.61 -1.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1ydg s VAL 146 Cb -0.16 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1ydg s VAL 146 CO 0.56 -0.11 0.70 -0.76 0.00 0.00 0.00 175.10 175.49 1ydg s LEU 147 N 1.39 4.32 -0.51 3.92 1.43 -1.26 -1.65 118.68 126.31 1ydg s LEU 147 Ca -0.01 1.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 1ydg s LEU 147 Cb -0.19 -3.09 0.31 0.00 0.03 0.00 0.00 46.19 43.25 1ydg s LEU 147 CO 0.02 -0.11 0.79 0.35 0.23 0.00 0.00 176.35 177.62 1ydg n THR 148 N 3.76 1.57 -1.32 5.49 -2.24 -0.04 -4.91 114.28 116.58 1ydg n THR 148 Ca -0.01 -5.03 -0.32 0.00 -2.27 0.00 0.00 64.05 56.42 1ydg n THR 148 Cb 0.51 -1.37 0.09 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.65 2.23 0.39 -0.78 0.04 -1.26 -4.69 135.00 128.28 1ydg s PRO 149 Ca 0.43 1.31 0.18 0.00 0.04 0.00 0.00 61.00 62.95 1ydg s PRO 149 Cb 0.25 -1.89 0.78 0.00 0.04 0.00 0.00 34.50 33.69 1ydg s PRO 149 CO -0.09 -1.68 1.80 -1.00 0.04 0.00 0.00 177.00 176.07 1ydg h PRO 150 N -0.88 0.00 0.00 0.56 0.13 -1.78 -3.49 132.00 126.54 1ydg h PRO 150 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ydg h PRO 150 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ydg h PRO 150 CO 0.51 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 1ydg n GLY 151 N -0.11 1.76 2.23 1.56 0.00 -0.16 -2.42 105.19 108.06 1ydg n GLY 151 Ca -0.01 -0.48 -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 6.65 3.01 1.94 1.61 4.02 -1.26 -4.40 117.16 128.72 1ydg n TYR 152 Ca 0.00 -2.62 0.08 0.00 -0.01 0.00 0.00 57.90 55.35 1ydg n TYR 152 Cb 0.00 -0.82 0.46 0.00 -0.02 0.00 0.00 39.34 38.97 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 -0.77 0.02 -3.73 -0.72 -2.24 -1.02 -4.69 114.28 101.14 1ydg n THR 153 Ca 0.52 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 62.13 1ydg n THR 153 Cb 0.78 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.50 -0.31 0.41 3.42 2.15 -1.26 -5.04 116.67 114.53 1ydg s ASP 154 Ca 0.24 0.38 0.19 0.00 0.43 0.00 0.00 52.55 53.79 1ydg s ASP 154 Cb 0.11 0.50 1.10 0.00 -0.30 0.00 0.00 42.92 44.33 1ydg s ASP 154 CO 0.19 -0.37 1.81 -0.08 -0.17 0.00 0.00 175.17 176.54 1ydg h GLU 155 N 4.27 0.38 -0.12 4.34 4.81 -2.01 -1.29 114.58 124.96 1ydg h GLU 155 Ca -0.28 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1ydg h GLU 155 Cb 1.17 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ydg h GLU 155 CO 0.35 0.25 0.10 -0.39 -0.73 0.00 0.00 179.01 178.60 1ydg h VAL 156 N 0.39 0.74 0.01 0.32 -1.51 -1.96 -2.09 116.25 112.15 1ydg h VAL 156 Ca 0.54 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.01 1ydg h VAL 156 Cb 1.39 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1ydg h VAL 156 CO -0.24 0.00 -0.01 0.40 -1.23 0.00 0.00 177.57 176.50 1ydg h ILE 157 N 0.00 1.01 -0.97 7.19 1.08 -1.59 -2.48 117.51 121.74 1ydg h ILE 157 Ca 0.06 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1ydg h ILE 157 Cb 0.26 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.99 1ydg h ILE 157 CO -0.00 0.02 0.62 -0.26 -0.69 0.00 0.00 178.15 177.84 1ydg h PHE 158 N -0.05 1.11 0.00 1.37 0.04 -1.53 0.47 116.94 118.35 1ydg h PHE 158 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1ydg h PHE 158 Cb 0.04 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.83 1ydg h PHE 158 CO -0.07 0.51 0.00 0.87 -0.60 0.00 0.00 178.31 179.02 1ydg h LYS 159 N 1.03 0.00 -0.48 1.51 1.57 -1.23 -2.93 116.57 116.04 1ydg h LYS 159 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1ydg h LYS 159 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1ydg h LYS 159 CO -0.20 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.55 1ydg n SER 160 N -2.87 4.03 0.00 0.86 3.41 -0.97 -4.92 113.62 113.16 1ydg n SER 160 Ca 0.02 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 1ydg n SER 160 Cb 0.32 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.60 0.73 2.05 5.00 0.00 -1.11 -4.76 105.19 107.70 1ydg n GLY 161 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.03 0.20 3.51 -0.02 0.00 0.12 -4.98 105.19 103.00 1ydg n GLY 162 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.42 6.33 0.31 1.61 3.84 -1.26 -4.92 114.94 117.43 1ydg s ASN 163 Ca 0.07 -0.39 0.25 0.00 0.21 0.00 0.00 52.86 52.99 1ydg s ASN 163 Cb -0.03 -2.41 0.69 0.00 -0.55 0.00 0.00 41.25 38.95 1ydg s ASN 163 CO 0.28 -1.14 1.73 1.55 -2.79 0.00 0.00 177.10 176.73 1ydg h PRO 164 N 9.22 0.00 0.01 0.43 0.13 -1.95 -3.25 132.00 136.60 1ydg h PRO 164 Ca -0.26 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.66 1ydg h PRO 164 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1ydg h PRO 164 CO 1.05 0.00 -0.92 1.88 -0.23 0.00 0.00 178.00 179.78 1ydg h TYR 165 N 0.00 0.32 0.00 1.56 0.99 -1.91 -0.40 116.97 117.54 1ydg h TYR 165 Ca 0.00 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1ydg h TYR 165 Cb 0.79 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.49 1ydg h TYR 165 CO 0.00 1.02 0.00 0.41 -0.00 0.00 0.00 178.16 179.59 1ydg n GLY 166 N 0.97 2.38 3.76 3.88 0.00 -1.23 -4.50 105.19 110.46 1ydg n GLY 166 Ca -0.04 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.88 2.44 -3.64 4.61 0.00 -1.24 -4.73 120.51 117.07 1ydg n ALA 167 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 1ydg n ALA 167 Cb 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 16.88 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 0.09 -0.19 -0.04 0.00 1.04 -1.25 -1.19 113.70 112.16 1ydg s SER 168 Ca 0.57 0.41 0.05 0.00 0.48 0.00 0.00 55.95 57.46 1ydg s SER 168 Cb -0.48 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1ydg s SER 168 CO 0.58 -0.14 -0.19 -0.69 0.98 0.00 0.00 173.24 173.78 1ydg s VAL 169 N 1.06 2.66 -0.52 5.02 1.01 -0.51 -4.97 120.40 124.15 1ydg s VAL 169 Ca -0.08 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1ydg s VAL 169 Cb -0.10 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1ydg s VAL 169 CO -0.06 0.59 0.84 -0.89 0.00 0.00 0.00 175.10 175.57 1ydg s THR 170 N -0.68 4.55 -0.37 3.92 2.01 -1.26 -1.58 115.64 122.23 1ydg s THR 170 Ca 0.11 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 1ydg s THR 170 Cb -0.10 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 67.97 1ydg s THR 170 CO -0.00 -0.97 1.51 0.00 -0.69 0.00 0.00 174.62 174.48 1ydg s ALA 171 N 3.51 3.03 -0.32 7.40 0.00 0.11 -4.82 121.76 130.67 1ydg s ALA 171 Ca 0.27 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1ydg s ALA 171 Cb -0.14 -3.95 0.08 0.00 0.00 0.00 0.00 23.12 19.11 1ydg s ALA 171 CO 0.18 -2.39 0.97 0.27 0.00 0.00 0.00 175.76 174.79 1ydg n ASN 172 N 9.09 2.06 0.00 0.00 6.94 -1.26 -4.37 115.26 127.72 1ydg n ASN 172 Ca 0.18 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.93 1ydg n ASN 172 Cb 0.47 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1ydg n ASN 172 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ydg n GLY 173 N -0.10 2.76 3.90 4.83 0.00 -1.26 -5.03 105.19 110.29 1ydg n GLY 173 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.11 2.83 0.89 1.61 -1.52 -1.26 -5.05 119.66 117.04 1ydg s GLN 174 Ca 0.00 0.20 -0.11 0.00 -1.95 0.00 0.00 55.36 53.50 1ydg s GLN 174 Cb 0.00 -2.14 0.12 0.00 -0.22 0.00 0.00 33.01 30.77 1ydg s GLN 174 CO 0.00 -0.91 1.07 -2.30 -0.25 0.00 0.00 175.29 172.90 1ydg n PRO 175 N -2.82 -0.26 -1.82 2.91 -0.02 -1.26 -4.90 135.00 126.83 1ydg n PRO 175 Ca 0.06 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1ydg n PRO 175 Cb 0.58 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1ydg n PRO 175 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ydg s LEU 176 N -5.64 4.37 0.61 2.45 1.02 -1.26 -4.96 118.68 115.26 1ydg s LEU 176 Ca 0.68 2.78 -0.18 0.00 0.02 0.00 0.00 54.13 57.42 1ydg s LEU 176 Cb -0.25 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.33 1ydg s LEU 176 CO 0.57 -0.90 1.19 -0.76 0.02 0.00 0.00 176.35 176.47 1ydg s LEU 177 N 0.88 3.61 0.28 1.79 1.43 -1.26 -4.88 118.68 120.53 1ydg s LEU 177 Ca 0.71 2.33 -0.02 0.00 -1.03 0.00 0.00 54.13 56.12 1ydg s LEU 177 Cb -0.47 -4.59 0.39 0.00 0.03 0.00 0.00 46.19 41.55 1ydg s LEU 177 CO 0.34 -1.63 1.84 -0.08 0.23 0.00 0.00 176.35 177.05 1ydg h GLU 178 N 0.71 0.88 -0.35 1.70 4.57 -1.99 -1.89 114.58 118.21 1ydg h GLU 178 Ca -0.50 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.44 1ydg h GLU 178 Cb 1.29 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1ydg h GLU 178 CO 0.55 0.76 -0.12 -0.91 -1.18 0.00 0.00 179.01 178.11 1ydg h ASN 179 N 0.86 0.59 -0.26 1.04 2.35 -1.91 -1.31 115.58 116.93 1ydg h ASN 179 Ca 0.19 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1ydg h ASN 179 Cb 0.24 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1ydg h ASN 179 CO -0.01 0.74 -0.00 0.44 -1.65 0.00 0.00 177.43 176.95 1ydg h ASP 180 N 0.56 0.46 -0.56 5.81 3.32 -1.82 -2.18 116.42 122.00 1ydg h ASP 180 Ca 0.10 -0.31 0.09 0.00 0.02 0.00 0.00 57.03 56.93 1ydg h ASP 180 Cb 0.53 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1ydg h ASP 180 CO 0.03 0.66 0.18 0.03 -1.72 0.00 0.00 179.24 178.42 1ydg h ARG 181 N 0.24 0.34 -0.76 3.56 3.08 -0.99 -1.80 114.38 118.05 1ydg h ARG 181 Ca 0.07 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1ydg h ARG 181 Cb 0.42 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1ydg h ARG 181 CO 0.01 0.22 0.30 0.00 -1.07 0.00 0.00 179.97 179.44 1ydg h ALA 182 N 1.39 1.10 -0.62 0.04 0.00 -1.13 -1.41 119.26 118.63 1ydg h ALA 182 Ca 0.28 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ydg h ALA 182 Cb 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ydg h ALA 182 CO -0.30 0.64 0.10 0.77 0.00 0.00 0.00 179.25 180.46 1ydg h SER 183 N 1.11 0.97 -0.48 0.00 0.02 -0.89 -0.77 113.55 113.51 1ydg h SER 183 Ca 0.26 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1ydg h SER 183 Cb 0.21 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1ydg h SER 183 CO -0.02 0.97 0.16 0.40 -1.14 0.00 0.00 176.83 177.20 1ydg h ILE 184 N 0.96 1.22 -0.31 3.27 2.04 -0.93 -1.85 117.51 121.91 1ydg h ILE 184 Ca 0.19 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1ydg h ILE 184 Cb 0.42 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ydg h ILE 184 CO 0.01 0.27 0.17 0.03 0.00 0.00 0.00 178.15 178.63 1ydg h ARG 185 N 0.65 0.44 -0.31 2.37 3.08 -0.92 -2.06 114.38 117.62 1ydg h ARG 185 Ca 0.16 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1ydg h ARG 185 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1ydg h ARG 185 CO -0.01 0.38 0.20 1.25 -1.07 0.00 0.00 179.97 180.72 1ydg h HIS 186 N 0.39 0.38 -0.35 3.04 2.76 -1.04 -0.08 115.15 120.24 1ydg h HIS 186 Ca 0.11 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1ydg h HIS 186 Cb 0.07 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.85 1ydg h HIS 186 CO -0.03 0.23 0.03 0.37 -1.30 0.00 0.00 177.93 177.24 1ydg h GLN 187 N 0.41 0.13 -0.16 5.26 4.15 -1.10 0.23 115.11 124.03 1ydg h GLN 187 Ca 0.12 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 1ydg h GLN 187 Cb -0.04 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1ydg h GLN 187 CO -0.03 0.09 -0.26 0.28 -1.93 0.00 0.00 178.83 176.98 1ydg h VAL 188 N 0.14 1.36 -0.35 2.39 2.07 -1.21 -1.39 116.25 119.26 1ydg h VAL 188 Ca 0.17 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.25 1ydg h VAL 188 Cb 0.22 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1ydg h VAL 188 CO -0.26 0.45 0.04 -0.09 0.02 0.00 0.00 177.57 177.73 1ydg h ARG 189 N 0.08 0.14 -0.65 1.57 2.43 -0.91 -0.29 114.38 116.76 1ydg h ARG 189 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ydg h ARG 189 Cb 0.84 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1ydg h ARG 189 CO 0.06 0.10 0.42 -0.09 -1.51 0.00 0.00 179.97 178.94 1ydg h ARG 190 N 0.15 0.86 -0.57 0.20 2.43 -0.89 -1.29 114.38 115.27 1ydg h ARG 190 Ca 0.17 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1ydg h ARG 190 Cb 0.21 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1ydg h ARG 190 CO -0.25 0.58 0.13 0.37 -1.51 0.00 0.00 179.97 179.30 1ydg h GLN 191 N 0.88 0.92 -0.18 0.20 4.15 -0.80 -1.47 115.11 118.82 1ydg h GLN 191 Ca 0.24 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1ydg h GLN 191 Cb -0.08 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1ydg h GLN 191 CO -0.05 0.86 0.11 0.28 -1.93 0.00 0.00 178.83 178.10 1ydg h VAL 192 N 0.82 1.07 -0.27 2.39 2.07 -0.80 0.34 116.25 121.87 1ydg h VAL 192 Ca 0.18 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1ydg h VAL 192 Cb 0.35 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1ydg h VAL 192 CO 0.00 0.07 -0.07 -0.33 0.02 0.00 0.00 177.57 177.26 1ydg h GLU 193 N 0.21 0.00 -0.59 1.57 5.08 -1.05 0.56 114.58 120.36 1ydg h GLU 193 Ca 0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1ydg h GLU 193 Cb 0.01 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ydg h GLU 193 CO -0.01 0.00 0.21 -0.07 -1.00 0.00 0.00 179.01 178.14 1ydg h LEU 194 N 0.00 0.84 -0.58 1.33 3.38 -1.05 -1.99 115.31 117.24 1ydg h LEU 194 Ca 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ydg h LEU 194 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1ydg h LEU 194 CO -0.28 0.80 0.34 0.74 0.09 0.00 0.00 178.44 180.13 1ydg h THR 195 N 0.83 1.18 -0.86 0.22 2.02 -0.46 -1.36 112.91 114.48 1ydg h THR 195 Ca 0.19 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1ydg h THR 195 Cb 0.24 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1ydg h THR 195 CO -0.01 0.18 0.56 0.00 0.37 0.00 0.00 175.52 176.63 1ydg h ALA 196 N 1.17 1.10 -0.20 6.16 0.00 -0.59 -1.22 119.26 125.68 1ydg h ALA 196 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ydg h ALA 196 Cb -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1ydg h ALA 196 CO -0.04 0.46 0.06 0.87 0.00 0.00 0.00 179.25 180.61 1ydg h LYS 197 N 1.14 0.31 -0.49 0.00 1.57 -1.08 -0.46 116.57 117.56 1ydg h LYS 197 Ca 0.32 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 1ydg h LYS 197 Cb -0.10 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 1ydg h LYS 197 CO -0.08 0.41 0.18 1.25 -0.57 0.00 0.00 179.45 180.64 1ydg h LEU 198 N 0.15 0.20 -0.40 2.94 5.85 -0.98 0.21 115.31 123.28 1ydg h LEU 198 Ca 0.06 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1ydg h LEU 198 Cb 0.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ydg h LEU 198 CO -0.00 0.15 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.01 1ydg h LEU 199 N 0.37 0.83 -0.49 2.25 3.38 -1.15 -2.41 115.31 118.09 1ydg h LEU 199 Ca 0.23 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ydg h LEU 199 Cb 0.23 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ydg h LEU 199 CO -0.22 1.04 0.26 -0.08 0.09 0.00 0.00 178.44 179.53 1ydg h GLU 200 N 0.62 0.68 0.00 1.13 4.57 -0.84 -2.23 114.58 118.51 1ydg h GLU 200 Ca 0.09 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ydg h GLU 200 Cb 0.71 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1ydg h GLU 200 CO 0.05 0.54 -0.26 0.78 -1.18 0.00 0.00 179.01 178.94 1ydg h GLY 201 N 0.65 0.00 -1.49 1.92 0.00 -0.89 -2.72 103.07 100.53 1ydg h GLY 201 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ydg h GLY 201 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1ydg n GLY 202 N -0.34 0.87 0.14 4.60 0.00 -0.92 -5.09 105.19 104.46 1ydg n GLY 202 Ca -0.01 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1ydg n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18