#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 3.45 0.62 1.79 0.00 -1.26 -4.96 121.76 121.40 1ydg s ALA 3 Ca 0.00 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 1ydg s ALA 3 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1ydg s ALA 3 CO 0.00 -0.37 1.25 -2.14 0.00 0.00 0.00 175.76 174.51 1ydg s PRO 4 N -1.56 2.74 0.11 0.00 0.02 -1.26 -4.90 135.00 130.15 1ydg s PRO 4 Ca 0.47 1.95 -0.35 0.00 0.02 0.00 0.00 61.00 63.08 1ydg s PRO 4 Cb -0.35 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.14 1ydg s PRO 4 CO 0.46 -1.42 1.56 0.28 -0.33 0.00 0.00 177.00 177.55 1ydg n VAL 5 N -1.77 0.07 -2.90 3.83 0.31 -1.26 -4.56 118.33 112.05 1ydg n VAL 5 Ca 0.15 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 64.04 1ydg n VAL 5 Cb 0.49 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 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 1.21 3.48 -0.15 5.55 1.02 -1.26 -0.67 119.74 128.91 1ydg s LYS 6 Ca 0.82 0.03 -0.00 0.00 0.02 0.00 0.00 55.97 56.84 1ydg s LYS 6 Cb -0.75 -3.93 -0.00 0.00 -0.52 0.00 0.00 37.83 32.63 1ydg s LYS 6 CO 0.42 -1.16 -0.14 -1.17 -0.92 0.00 0.00 175.35 172.38 1ydg s LEU 7 N 3.50 2.54 -0.19 3.17 2.96 0.26 -0.06 118.68 130.85 1ydg s LEU 7 Ca 0.33 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1ydg s LEU 7 Cb -0.11 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 1ydg s LEU 7 CO 0.24 0.09 -0.10 0.00 -1.32 0.00 0.00 176.35 175.26 1ydg s ALA 8 N 0.78 2.65 -0.34 5.97 0.00 -0.30 -0.45 121.76 130.07 1ydg s ALA 8 Ca -0.05 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 1ydg s ALA 8 Cb -0.15 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1ydg s ALA 8 CO 0.01 -0.27 0.13 0.42 0.00 0.00 0.00 175.76 176.04 1ydg s ILE 9 N 1.20 4.01 -0.25 0.00 1.01 0.10 -0.95 121.20 126.32 1ydg s ILE 9 Ca 0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 1ydg s ILE 9 Cb -0.14 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1ydg s ILE 9 CO -0.04 -0.15 -0.02 -0.69 0.00 0.00 0.00 174.94 174.04 1ydg s VAL 10 N 1.46 3.34 0.06 2.92 1.01 0.05 -0.73 120.40 128.51 1ydg s VAL 10 Ca -0.00 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1ydg s VAL 10 Cb -0.19 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1ydg s VAL 10 CO 0.04 0.27 -0.15 0.72 0.00 0.00 0.00 175.10 175.98 1ydg s PHE 11 N 1.43 1.29 -0.11 5.22 -0.12 -0.66 -1.29 117.98 123.74 1ydg s PHE 11 Ca 0.03 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 1ydg s PHE 11 Cb -0.16 -0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 1ydg s PHE 11 CO -0.02 0.07 0.00 -0.47 -0.05 0.00 0.00 175.22 174.75 1ydg s TYR 12 N -1.11 3.16 -0.06 3.49 5.04 -0.38 -0.04 117.35 127.44 1ydg s TYR 12 Ca 0.00 0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1ydg s TYR 12 Cb -0.09 -1.86 0.03 0.00 0.35 0.00 0.00 41.96 40.39 1ydg s TYR 12 CO 0.02 0.34 0.15 0.45 -1.34 0.00 0.00 175.55 175.17 1ydg s SER 13 N -0.50 -0.12 -0.15 4.32 0.15 -1.26 -4.15 113.70 111.99 1ydg s SER 13 Ca 0.09 0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.93 1ydg s SER 13 Cb -0.12 0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1ydg s SER 13 CO 0.02 -0.13 -0.09 0.28 1.20 0.00 0.00 173.24 174.52 1ydg h SER 14 N 6.98 0.00 -0.34 5.45 0.02 -1.97 -3.44 113.55 120.26 1ydg h SER 14 Ca -0.39 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 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 0.42 0.84 0.00 0.35 -1.14 0.00 0.00 176.83 177.31 1ydg n THR 15 N -4.60 1.66 0.00 -2.27 -2.24 -1.26 -4.32 114.28 101.25 1ydg n THR 15 Ca -0.10 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 1ydg n THR 15 Cb 0.31 0.13 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 1.56 0.08 3.38 0.00 -1.26 -4.90 105.19 104.18 1ydg n GLY 16 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 1.16 -0.20 2.61 2.02 -1.96 -0.86 112.91 115.68 1ydg h THR 17 Ca 0.00 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1ydg h THR 17 Cb 0.00 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1ydg h THR 17 CO 0.00 0.14 -0.19 1.23 0.37 0.00 0.00 175.52 177.08 1ydg h GLY 18 N -0.04 0.38 0.81 2.16 0.00 -1.93 0.54 103.07 104.98 1ydg h GLY 18 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1ydg h GLY 18 CO -0.00 0.25 0.02 -1.82 0.00 0.00 0.00 176.54 174.98 1ydg h TYR 19 N 0.32 0.26 -0.29 5.60 3.20 -1.80 0.86 116.97 125.12 1ydg h TYR 19 Ca 0.06 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1ydg h TYR 19 Cb 0.52 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1ydg h TYR 19 CO 0.01 0.43 0.03 0.00 -1.64 0.00 0.00 178.16 176.99 1ydg h ALA 20 N 0.80 0.29 -0.67 1.82 0.00 -0.77 -1.27 119.26 119.46 1ydg h ALA 20 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ydg h ALA 20 Cb 0.32 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1ydg h ALA 20 CO 0.00 -0.38 0.41 0.52 0.00 0.00 0.00 179.25 179.80 1ydg h MET 21 N 0.13 0.77 -0.11 0.00 2.86 -0.82 -2.15 114.93 115.61 1ydg h MET 21 Ca 0.14 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1ydg h MET 21 Cb 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1ydg h MET 21 CO -0.21 0.51 -0.45 0.00 1.06 0.00 0.00 176.91 177.83 1ydg h ALA 22 N 1.29 1.04 -0.61 6.32 0.00 -0.49 -1.26 119.26 125.54 1ydg h ALA 22 Ca 0.27 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1ydg h ALA 22 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ydg h ALA 22 CO -0.11 0.62 0.06 1.96 0.00 0.00 0.00 179.25 181.77 1ydg h GLN 23 N 0.22 1.04 -0.79 0.00 4.20 -1.01 0.55 115.11 119.32 1ydg h GLN 23 Ca 0.02 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1ydg h GLN 23 Cb 0.88 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1ydg h GLN 23 CO 0.07 0.99 0.39 1.49 -0.67 0.00 0.00 178.83 181.10 1ydg h GLU 24 N 0.94 1.13 -0.41 1.46 4.57 -1.08 -0.24 114.58 120.96 1ydg h GLU 24 Ca 0.18 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1ydg h GLU 24 Cb 0.48 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1ydg h GLU 24 CO 0.02 0.87 0.11 0.00 -1.18 0.00 0.00 179.01 178.83 1ydg h ALA 25 N 1.20 0.53 -0.47 2.92 0.00 -0.90 -1.60 119.26 120.95 1ydg h ALA 25 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ydg h ALA 25 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ydg h ALA 25 CO -0.04 0.20 0.26 0.00 0.00 0.00 0.00 179.25 179.68 1ydg h ALA 26 N 0.96 0.61 -0.56 0.00 0.00 -0.40 -1.40 119.26 118.47 1ydg h ALA 26 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ydg h ALA 26 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ydg h ALA 26 CO -0.00 0.13 0.27 0.93 0.00 0.00 0.00 179.25 180.59 1ydg h GLU 27 N 0.63 0.80 -0.78 0.00 4.39 -1.00 -0.94 114.58 117.67 1ydg h GLU 27 Ca 0.17 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 59.84 1ydg h GLU 27 Cb 0.06 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.49 1ydg h GLU 27 CO -0.03 0.65 0.44 0.00 -1.16 0.00 0.00 179.01 178.91 1ydg h ALA 28 N 1.11 1.09 -0.37 3.43 0.00 -1.04 0.12 119.26 123.60 1ydg h ALA 28 Ca 0.19 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1ydg h ALA 28 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ydg h ALA 28 CO -0.03 0.07 -0.24 0.78 0.00 0.00 0.00 179.25 179.84 1ydg h GLY 29 N 0.75 0.88 0.91 0.00 0.00 -0.93 -1.45 103.07 103.24 1ydg h GLY 29 Ca 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ydg h GLY 29 CO -0.23 0.75 -0.08 3.21 0.00 0.00 0.00 176.54 180.18 1ydg h ARG 30 N 0.60 -0.19 -0.77 4.80 3.08 -0.80 -0.11 114.38 121.00 1ydg h ARG 30 Ca 0.07 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.27 1ydg h ARG 30 Cb 0.80 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 1ydg h ARG 30 CO 0.07 -0.13 0.51 0.00 -1.07 0.00 0.00 179.97 179.34 1ydg h ALA 31 N 0.69 1.97 -0.02 0.04 0.00 -0.65 -1.63 119.26 119.65 1ydg h ALA 31 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ydg h ALA 31 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ydg h ALA 31 CO -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1ydg n ALA 32 N -2.49 2.60 0.00 0.00 0.00 -0.56 -4.92 120.51 115.15 1ydg n ALA 32 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ydg n ALA 32 Cb 0.45 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.12 0.85 3.86 0.00 0.00 -0.61 -4.92 105.19 105.48 1ydg n GLY 33 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 3.40 -0.21 4.61 0.00 -0.09 -4.19 121.76 123.28 1ydg s ALA 34 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 1ydg s ALA 34 Cb 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 1ydg s ALA 34 CO 0.00 0.32 0.75 -2.00 0.00 0.00 0.00 175.76 174.82 1ydg s GLU 35 N -3.11 4.21 -0.08 0.00 2.12 0.16 -4.17 118.70 117.82 1ydg s GLU 35 Ca 0.52 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.68 1ydg s GLU 35 Cb -0.10 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1ydg s GLU 35 CO 0.21 -0.38 -0.12 0.08 -0.54 0.00 0.00 175.26 174.51 1ydg s VAL 36 N 2.37 3.24 -0.21 3.70 1.01 -1.26 -0.58 120.40 128.67 1ydg s VAL 36 Ca 0.33 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1ydg s VAL 36 Cb -0.16 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1ydg s VAL 36 CO 0.10 0.57 -0.05 -0.13 0.00 0.00 0.00 175.10 175.59 1ydg s ARG 37 N -0.34 3.40 -0.28 2.72 0.52 0.41 -4.98 118.95 120.39 1ydg s ARG 37 Ca 0.04 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 54.52 1ydg s ARG 37 Cb -0.13 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1ydg s ARG 37 CO 0.02 -0.15 0.18 -1.17 0.02 0.00 0.00 175.30 174.21 1ydg s LEU 38 N 1.36 4.00 -0.04 2.53 2.96 -1.26 -0.72 118.68 127.51 1ydg s LEU 38 Ca 0.04 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1ydg s LEU 38 Cb -0.14 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.46 1ydg s LEU 38 CO -0.02 -0.05 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.18 1ydg s LEU 39 N 1.75 1.19 0.11 -0.68 1.43 0.09 -4.33 118.68 118.25 1ydg s LEU 39 Ca 0.07 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 1ydg s LEU 39 Cb -0.16 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 1ydg s LEU 39 CO 0.11 -0.09 0.56 -1.59 0.23 0.00 0.00 176.35 175.57 1ydg s LYS 40 N 1.04 4.09 0.03 1.70 -2.85 -0.07 -1.65 119.74 122.02 1ydg s LYS 40 Ca -0.09 0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 55.19 1ydg s LYS 40 Cb -0.14 -3.07 -0.05 0.00 -2.06 0.00 0.00 37.83 32.51 1ydg s LYS 40 CO -0.01 0.55 1.18 0.08 0.10 0.00 0.00 175.35 177.25 1ydg s VAL 41 N -1.30 4.16 0.06 1.79 1.01 0.94 -0.27 120.40 126.77 1ydg s VAL 41 Ca 0.34 1.54 -0.38 0.00 0.00 0.00 0.00 61.98 63.48 1ydg s VAL 41 Cb -0.17 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.04 1ydg s VAL 41 CO 0.19 0.10 1.17 -1.14 0.00 0.00 0.00 175.10 175.41 1ydg n ARG 42 N 4.16 0.56 -2.55 2.72 0.63 -1.26 -4.85 116.66 116.07 1ydg n ARG 42 Ca 0.09 0.20 -0.42 0.00 -0.92 0.00 0.00 57.85 56.81 1ydg n ARG 42 Cb 0.47 -1.74 -0.04 0.00 0.45 0.00 0.00 32.46 31.60 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 0.13 4.55 -0.02 -0.14 2.56 -1.26 -4.89 118.70 119.63 1ydg s GLU 43 Ca 0.86 1.64 0.16 0.00 0.00 0.00 0.00 54.97 57.63 1ydg s GLU 43 Cb -1.09 -3.35 -0.23 0.00 2.00 0.00 0.00 34.13 31.45 1ydg s GLU 43 CO 0.52 -0.04 0.43 0.25 -0.56 0.00 0.00 175.26 175.87 1ydg n THR 44 N 3.22 0.00 -1.99 -1.70 -2.24 -1.26 -5.02 114.28 105.29 1ydg n THR 44 Ca 0.05 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 1ydg n THR 44 Cb 0.48 0.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.98 2.95 0.55 6.98 0.00 -1.26 -4.97 121.76 123.02 1ydg s ALA 45 Ca -0.03 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1ydg s ALA 45 Cb 0.11 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1ydg s ALA 45 CO 0.67 -1.04 1.13 -2.14 0.00 0.00 0.00 175.76 174.38 1ydg s PRO 46 N -2.73 3.34 0.28 0.00 0.02 -1.26 -4.86 135.00 129.79 1ydg s PRO 46 Ca 0.66 1.62 -0.04 0.00 0.02 0.00 0.00 61.00 63.26 1ydg s PRO 46 Cb -0.36 -2.00 0.36 0.00 0.02 0.00 0.00 34.50 32.51 1ydg s PRO 46 CO 0.44 -0.86 1.95 0.37 -0.33 0.00 0.00 177.00 178.57 1ydg h GLN 47 N 1.18 1.20 0.00 5.54 5.75 -1.98 -0.71 115.11 126.08 1ydg h GLN 47 Ca -0.50 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1ydg h GLN 47 Cb 1.26 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 29.54 1ydg h GLN 47 CO 0.57 0.80 0.00 0.38 -2.65 0.00 0.00 178.83 177.92 1ydg h ASP 48 N 1.23 0.00 0.00 -0.69 2.03 -1.98 0.42 116.42 117.43 1ydg h ASP 48 Ca 0.33 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.54 1ydg h ASP 48 Cb -0.14 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.35 1ydg h ASP 48 CO -0.07 0.00 -0.51 0.58 -1.03 0.00 0.00 179.24 178.21 1ydg h VAL 49 N 0.00 1.20 -0.97 4.15 2.07 -1.54 -3.30 116.25 117.86 1ydg h VAL 49 Ca 0.00 -2.09 0.20 0.00 0.82 0.00 0.00 66.70 65.63 1ydg h VAL 49 Cb 0.29 2.46 -0.11 0.00 -1.52 0.00 0.00 31.29 32.41 1ydg h VAL 49 CO 0.00 0.41 0.56 0.40 0.02 0.00 0.00 177.57 178.96 1ydg h ILE 50 N -1.00 0.64 -0.04 4.57 2.04 -1.01 -1.39 117.51 121.31 1ydg h ILE 50 Ca -0.13 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1ydg h ILE 50 Cb 1.00 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1ydg h ILE 50 CO -0.08 0.12 0.03 0.44 0.00 0.00 0.00 178.15 178.66 1ydg h ASP 51 N 0.66 0.00 0.39 1.72 3.32 -0.27 -1.76 116.42 120.47 1ydg h ASP 51 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1ydg h ASP 51 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ydg h ASP 51 CO -0.42 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.71 1ydg n GLY 52 N -1.48 -0.89 2.79 2.75 0.00 -0.52 -4.47 105.19 103.37 1ydg n GLY 52 Ca -0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.00 0.92 0.25 1.61 -0.21 -0.66 -5.01 119.66 113.55 1ydg s GLN 53 Ca 0.05 -1.00 -0.03 0.00 0.02 0.00 0.00 55.36 54.40 1ydg s GLN 53 Cb 0.07 -2.22 0.45 0.00 1.00 0.00 0.00 33.01 32.31 1ydg s GLN 53 CO 0.20 -0.85 1.79 -0.44 -2.12 0.00 0.00 175.29 173.88 1ydg h ASP 54 N 8.06 0.60 0.18 5.90 3.32 -1.80 -1.32 116.42 131.36 1ydg h ASP 54 Ca -0.14 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1ydg h ASP 54 Cb 1.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1ydg h ASP 54 CO 0.44 0.31 -0.22 0.00 -1.72 0.00 0.00 179.24 178.05 1ydg h ALA 55 N 1.49 1.53 0.02 3.45 0.00 -1.95 0.16 119.26 123.96 1ydg h ALA 55 Ca 0.42 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ydg h ALA 55 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ydg h ALA 55 CO -0.29 0.35 -0.01 2.35 0.00 0.00 0.00 179.25 181.65 1ydg h TRP 56 N 0.09 -0.02 -0.91 0.00 2.91 -1.49 -1.54 115.95 114.98 1ydg h TRP 56 Ca 0.01 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.07 1ydg h TRP 56 Cb 0.45 0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 29.06 1ydg h TRP 56 CO 0.00 0.61 0.60 -0.22 -1.03 0.00 0.00 178.44 178.40 1ydg h LYS 57 N -0.69 1.11 -0.28 2.65 3.64 -1.17 -1.37 116.57 120.46 1ydg h LYS 57 Ca -0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1ydg h LYS 57 Cb 0.65 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1ydg h LYS 57 CO 0.00 0.73 -0.07 0.00 -2.27 0.00 0.00 179.45 177.85 1ydg h ALA 58 N 1.47 0.38 -0.60 5.00 0.00 -0.69 -2.75 119.26 122.07 1ydg h ALA 58 Ca 0.36 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ydg h ALA 58 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ydg h ALA 58 CO -0.11 0.20 0.14 -0.97 0.00 0.00 0.00 179.25 178.51 1ydg h ASN 59 N 0.29 0.88 -0.70 0.00 -1.24 -1.03 0.13 115.58 113.92 1ydg h ASN 59 Ca 0.07 -0.17 0.06 0.00 0.71 0.00 0.00 56.30 56.97 1ydg h ASN 59 Cb 0.55 -0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.32 1ydg h ASN 59 CO 0.03 0.86 0.40 0.40 -1.29 0.00 0.00 177.43 177.82 1ydg h ILE 60 N 0.89 0.98 -0.49 2.57 2.04 -1.19 -0.43 117.51 121.88 1ydg h ILE 60 Ca 0.19 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1ydg h ILE 60 Cb 0.33 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1ydg h ILE 60 CO 0.00 0.13 0.21 -0.08 0.00 0.00 0.00 178.15 178.41 1ydg h GLU 61 N 0.73 0.72 -0.70 2.37 4.57 -1.13 -2.87 114.58 118.27 1ydg h GLU 61 Ca 0.31 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1ydg h GLU 61 Cb 0.19 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1ydg h GLU 61 CO -0.18 0.64 0.46 0.00 -1.18 0.00 0.00 179.01 178.75 1ydg h ALA 62 N 1.05 1.58 -0.42 2.92 0.00 0.29 -2.58 119.26 122.10 1ydg h ALA 62 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ydg h ALA 62 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ydg h ALA 62 CO -0.02 0.35 0.00 -1.33 0.00 0.00 0.00 179.25 178.25 1ydg n MET 63 N -4.45 1.99 0.24 0.00 2.81 -0.30 -4.63 117.12 112.78 1ydg n MET 63 Ca 0.09 -1.51 0.08 0.00 -1.81 0.00 0.00 57.70 54.54 1ydg n MET 63 Cb 0.11 -1.33 0.62 0.00 -0.71 0.00 0.00 33.22 31.91 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 2.44 0.05 -0.02 0.03 2.10 -1.24 -0.92 116.57 119.01 1ydg h LYS 64 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ydg h LYS 64 Cb 0.57 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1ydg h LYS 64 CO 0.00 0.04 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.20 1ydg n ASP 65 N -4.53 1.56 -4.70 7.07 10.43 -1.26 -4.84 116.55 120.29 1ydg n ASP 65 Ca -0.02 -1.46 -0.42 0.00 2.57 0.00 0.00 54.79 55.45 1ydg n ASP 65 Cb 0.09 0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.04 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 -2.07 4.63 0.60 2.53 1.01 -0.35 -5.03 120.40 121.72 1ydg s VAL 66 Ca 0.35 1.90 -0.17 0.00 0.00 0.00 0.00 61.98 64.06 1ydg s VAL 66 Cb 0.21 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1ydg s VAL 66 CO 0.36 0.06 1.13 -2.84 0.00 0.00 0.00 175.10 173.81 1ydg s PRO 67 N 1.66 3.05 0.26 2.72 0.02 -1.26 -4.70 135.00 136.74 1ydg s PRO 67 Ca 0.52 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 1ydg s PRO 67 Cb -0.22 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 1ydg s PRO 67 CO 0.23 -1.08 0.94 -1.21 -0.33 0.00 0.00 177.00 175.55 1ydg s GLU 68 N -3.66 4.80 0.33 5.54 2.02 -1.26 -0.90 118.70 125.58 1ydg s GLU 68 Ca 0.71 1.46 -0.29 0.00 0.02 0.00 0.00 54.97 56.87 1ydg s GLU 68 Cb -0.23 -3.18 -0.11 0.00 0.10 0.00 0.00 34.13 30.72 1ydg s GLU 68 CO 0.34 0.47 1.39 0.00 0.02 0.00 0.00 175.26 177.48 1ydg s ALA 69 N -1.27 3.55 0.18 5.21 0.00 0.62 -4.79 121.76 125.25 1ydg s ALA 69 Ca 0.43 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.81 1ydg s ALA 69 Cb -0.24 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1ydg s ALA 69 CO 0.30 -0.79 -0.07 0.95 0.00 0.00 0.00 175.76 176.15 1ydg s THR 70 N -0.95 1.14 0.36 0.00 -4.23 -1.26 -4.78 115.64 105.92 1ydg s THR 70 Ca 0.52 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1ydg s THR 70 Cb -0.42 -2.02 0.29 0.00 1.34 0.00 0.00 72.50 71.69 1ydg s THR 70 CO 0.55 -0.60 1.95 -0.65 -0.54 0.00 0.00 174.62 175.33 1ydg h PRO 71 N 2.67 0.73 -0.98 3.99 0.11 -1.94 -2.25 132.00 134.34 1ydg h PRO 71 Ca -0.37 -0.04 0.21 0.00 0.11 0.00 0.00 66.00 65.90 1ydg h PRO 71 Cb 1.20 -0.17 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 1ydg h PRO 71 CO 0.64 0.48 0.62 0.00 -0.21 0.00 0.00 178.00 179.53 1ydg h ALA 72 N 1.60 1.96 -0.53 -0.75 0.00 -1.98 -0.93 119.26 118.63 1ydg h ALA 72 Ca 0.32 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1ydg h ALA 72 Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ydg h ALA 72 CO -0.11 -0.30 0.03 -0.44 0.00 0.00 0.00 179.25 178.43 1ydg h ASP 73 N 0.58 0.84 0.80 0.00 3.32 -1.82 -0.93 116.42 119.21 1ydg h ASP 73 Ca 0.54 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 57.20 1ydg h ASP 73 Cb 1.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1ydg h ASP 73 CO -0.29 0.89 -0.86 -0.07 -1.72 0.00 0.00 179.24 177.19 1ydg h LEU 74 N 0.82 0.05 -0.44 1.55 3.38 -1.28 -1.61 115.31 117.78 1ydg h LEU 74 Ca 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ydg h LEU 74 Cb 0.45 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ydg h LEU 74 CO 0.02 0.89 0.15 -0.08 0.09 0.00 0.00 178.44 179.50 1ydg h GLU 75 N 0.02 0.67 -0.68 1.13 4.81 -0.82 -2.96 114.58 116.75 1ydg h GLU 75 Ca -0.02 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1ydg h GLU 75 Cb 1.51 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.75 1ydg h GLU 75 CO 0.12 0.64 0.43 2.35 -0.73 0.00 0.00 179.01 181.82 1ydg h TRP 76 N 0.56 0.80 -4.04 0.92 7.01 -1.13 -3.46 115.95 116.62 1ydg h TRP 76 Ca 0.14 0.02 -0.52 0.00 2.11 0.00 0.00 58.89 60.64 1ydg h TRP 76 Cb 0.24 -0.26 0.09 0.00 -2.10 0.00 0.00 29.16 27.13 1ydg h TRP 76 CO 0.01 0.46 0.51 0.00 -2.79 0.00 0.00 178.44 176.63 1ydg s ALA 77 N -6.12 2.83 -0.15 2.65 0.00 -0.61 -4.89 121.76 115.46 1ydg s ALA 77 Ca -0.13 1.04 0.15 0.00 0.00 0.00 0.00 51.96 53.03 1ydg s ALA 77 Cb 0.15 -3.44 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 1ydg s ALA 77 CO 0.77 -0.94 0.10 0.39 0.00 0.00 0.00 175.76 176.07 1ydg n GLU 78 N -0.90 1.15 -4.62 0.00 1.02 0.92 -4.94 120.64 113.26 1ydg n GLU 78 Ca 0.10 -0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 56.97 1ydg n GLU 78 Cb 0.48 -1.44 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.51 1.26 -0.04 0.62 0.00 -0.43 -1.70 121.76 118.96 1ydg s ALA 79 Ca -0.08 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1ydg s ALA 79 Cb 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1ydg s ALA 79 CO 0.70 0.17 -0.18 0.42 0.00 0.00 0.00 175.76 176.88 1ydg s ILE 80 N 0.38 1.46 -0.11 0.00 1.01 0.04 -1.15 121.20 122.82 1ydg s ILE 80 Ca -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1ydg s ILE 80 Cb -0.13 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1ydg s ILE 80 CO 0.03 0.42 -0.17 -0.69 0.00 0.00 0.00 174.94 174.52 1ydg s VAL 81 N -0.05 1.64 -0.10 2.92 1.01 -0.13 -1.94 120.40 123.76 1ydg s VAL 81 Ca -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1ydg s VAL 81 Cb -0.11 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1ydg s VAL 81 CO 0.02 0.47 0.00 -0.36 0.00 0.00 0.00 175.10 175.23 1ydg s PHE 82 N 0.86 3.16 -0.06 5.22 0.40 -0.91 -0.77 117.98 125.87 1ydg s PHE 82 Ca -0.09 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1ydg s PHE 82 Cb -0.15 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1ydg s PHE 82 CO -0.00 0.42 -0.04 0.45 0.70 0.00 0.00 175.22 176.75 1ydg s SER 83 N -0.73 1.35 0.01 1.36 0.15 -0.41 -0.61 113.70 114.83 1ydg s SER 83 Ca 0.11 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1ydg s SER 83 Cb -0.12 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 1ydg s SER 83 CO 0.02 -0.09 -0.05 -0.55 1.20 0.00 0.00 173.24 173.77 1ydg s SER 84 N 1.29 0.58 0.79 5.45 0.15 -0.96 -1.25 113.70 119.75 1ydg s SER 84 Ca -0.05 -0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 1ydg s SER 84 Cb -0.14 -0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.23 1ydg s SER 84 CO -0.02 -0.06 1.13 -2.16 1.20 0.00 0.00 173.24 173.33 1ydg s PRO 85 N -0.67 1.93 0.07 5.44 0.04 -1.26 -3.26 135.00 137.29 1ydg s PRO 85 Ca -0.04 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.16 1ydg s PRO 85 Cb -0.05 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1ydg s PRO 85 CO -0.00 -1.93 0.89 -0.08 0.04 0.00 0.00 177.00 175.93 1ydg s THR 86 N -2.55 4.63 -0.28 1.26 -1.32 0.78 -3.59 115.64 114.58 1ydg s THR 86 Ca 0.66 1.91 0.01 0.00 -1.21 0.00 0.00 61.69 63.07 1ydg s THR 86 Cb -0.22 -4.25 0.08 0.00 -1.51 0.00 0.00 72.50 66.60 1ydg s THR 86 CO 0.52 0.31 0.01 -0.60 -2.21 0.00 0.00 174.62 172.65 1ydg s ARG 87 N 0.12 1.34 -1.61 7.08 6.06 0.18 -4.82 118.95 127.30 1ydg s ARG 87 Ca 0.45 -1.22 -0.16 0.00 -2.50 0.00 0.00 55.73 52.30 1ydg s ARG 87 Cb -0.22 -2.58 0.13 0.00 0.06 0.00 0.00 34.95 32.33 1ydg s ARG 87 CO 0.27 -0.78 0.86 1.19 -2.50 0.00 0.00 175.30 174.34 1ydg n PHE 88 N 4.62 -1.99 -0.99 5.12 3.72 -1.26 -1.41 117.46 125.27 1ydg n PHE 88 Ca -0.06 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.17 1ydg n PHE 88 Cb 0.43 -3.38 0.00 0.00 -0.94 0.00 0.00 39.48 35.59 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 -1.50 0.54 3.54 1.37 0.00 -1.26 -5.02 105.19 102.85 1ydg n GLY 89 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.74 0.66 -0.02 0.00 -0.50 -2.19 107.32 106.01 1ydg s GLY 90 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 1ydg s GLY 90 CO 0.00 -1.85 1.05 0.00 0.00 0.00 0.00 173.10 172.30 1ydg s ALA 91 N -3.16 2.92 0.69 3.20 0.00 -1.26 -0.65 121.76 123.51 1ydg s ALA 91 Ca 0.21 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 1ydg s ALA 91 Cb 0.01 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1ydg s ALA 91 CO 0.14 -0.94 1.25 0.95 0.00 0.00 0.00 175.76 177.17 1ydg s THR 92 N -3.16 2.14 0.45 0.00 -4.23 -1.24 -4.60 115.64 105.01 1ydg s THR 92 Ca 0.56 0.08 0.17 0.00 -1.18 0.00 0.00 61.69 61.32 1ydg s THR 92 Cb -0.12 -2.85 0.35 0.00 1.34 0.00 0.00 72.50 71.23 1ydg s THR 92 CO 0.54 -0.03 1.96 0.77 -0.54 0.00 0.00 174.62 177.32 1ydg h SER 93 N 0.11 0.31 -0.51 3.99 4.64 -1.96 -1.30 113.55 118.83 1ydg h SER 93 Ca -0.49 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1ydg h SER 93 Cb 1.32 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1ydg h SER 93 CO 0.51 0.17 0.26 1.56 -0.87 0.00 0.00 176.83 178.46 1ydg h GLN 94 N 0.34 0.74 -0.24 4.77 7.50 -1.91 0.18 115.11 126.49 1ydg h GLN 94 Ca 0.31 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.31 1ydg h GLN 94 Cb 0.75 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 1ydg h GLN 94 CO -0.08 0.60 -0.02 1.98 -1.50 0.00 0.00 178.83 179.81 1ydg h MET 95 N 0.69 0.43 -0.44 1.46 4.05 -1.72 -2.63 114.93 116.76 1ydg h MET 95 Ca 0.18 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1ydg h MET 95 Cb 0.10 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1ydg h MET 95 CO -0.02 0.62 0.18 0.00 0.23 0.00 0.00 176.91 177.92 1ydg h ARG 96 N 0.19 0.62 -0.70 0.39 2.47 -1.05 -1.55 114.38 114.75 1ydg h ARG 96 Ca 0.06 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 1ydg h ARG 96 Cb 0.44 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 1ydg h ARG 96 CO 0.02 0.51 0.28 0.00 0.56 0.00 0.00 179.97 181.34 1ydg h ALA 97 N 1.58 1.18 -0.15 0.04 0.00 -0.51 -0.10 119.26 121.30 1ydg h ALA 97 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ydg h ALA 97 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ydg h ALA 97 CO -0.02 0.60 0.07 0.35 0.00 0.00 0.00 179.25 180.25 1ydg h PHE 98 N 1.01 0.22 -0.94 0.00 3.57 -1.03 -2.84 116.94 116.92 1ydg h PHE 98 Ca 0.24 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.83 1ydg h PHE 98 Cb 0.19 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 1ydg h PHE 98 CO 0.02 0.25 0.60 0.82 -2.23 0.00 0.00 178.31 177.77 1ydg h ILE 99 N 0.12 0.95 0.00 1.41 2.04 -0.99 -1.01 117.51 120.03 1ydg h ILE 99 Ca 0.05 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ydg h ILE 99 Cb 0.12 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1ydg h ILE 99 CO -0.01 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.78 1ydg n ASP 100 N -4.56 0.00 -0.65 1.72 9.92 -0.08 -1.77 116.55 121.13 1ydg n ASP 100 Ca 0.17 0.22 0.12 0.00 -0.53 0.00 0.00 54.79 54.77 1ydg n ASP 100 Cb 0.33 -0.37 0.38 0.00 -0.64 0.00 0.00 41.12 40.82 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 -1.37 0.11 0.59 -3.53 -2.24 -0.38 -4.40 114.28 103.06 1ydg n THR 101 Ca 0.07 -0.37 0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1ydg n THR 101 Cb 0.16 0.69 0.27 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.55 2.83 -0.31 3.22 4.77 -0.73 -4.46 117.00 122.88 1ydg n LEU 102 Ca 0.17 -1.24 -0.04 0.00 -0.03 0.00 0.00 56.01 54.87 1ydg n LEU 102 Cb 0.42 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1ydg n LEU 102 CO 0.15 0.62 1.18 1.23 -1.33 0.00 0.00 177.39 179.24 1ydg h GLY 103 N 4.73 1.23 0.98 -0.72 0.00 -1.77 -0.32 103.07 107.19 1ydg h GLY 103 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ydg h GLY 103 CO 0.00 0.50 0.04 -1.33 0.00 0.00 0.00 176.54 175.75 1ydg h GLY 104 N 1.16 0.09 0.99 4.60 0.00 -1.95 0.15 103.07 108.10 1ydg h GLY 104 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1ydg h GLY 104 CO -0.05 0.03 0.26 -2.00 0.00 0.00 0.00 176.54 174.78 1ydg h LEU 105 N 0.06 0.51 -0.14 3.11 5.85 -1.81 -1.36 115.31 121.53 1ydg h LEU 105 Ca 0.02 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1ydg h LEU 105 Cb 0.02 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1ydg h LEU 105 CO -0.00 0.41 -0.04 -0.25 -0.34 0.00 0.00 178.44 178.21 1ydg h TRP 106 N 0.56 -0.09 -0.69 1.25 7.01 -0.90 -1.37 115.95 121.72 1ydg h TRP 106 Ca 0.15 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.28 1ydg h TRP 106 Cb -0.01 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 1ydg h TRP 106 CO -0.03 -0.07 0.46 0.77 -2.79 0.00 0.00 178.44 176.77 1ydg h SER 107 N -0.01 0.44 0.48 2.65 0.02 -0.46 -1.76 113.55 114.92 1ydg h SER 107 Ca 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ydg h SER 107 Cb 0.12 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1ydg h SER 107 CO -0.15 0.25 0.00 -1.20 -1.14 0.00 0.00 176.83 174.59 1ydg n SER 108 N -4.48 0.00 -0.16 3.07 7.64 -0.53 -4.90 113.62 114.25 1ydg n SER 108 Ca 0.12 -0.10 -0.02 0.00 1.01 0.00 0.00 58.87 59.88 1ydg n SER 108 Cb 0.41 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.94 0.48 0.50 0.23 0.00 -0.66 -4.91 105.19 101.77 1ydg n GLY 109 Ca 0.13 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.73 1.63 0.00 1.61 5.02 -0.57 -3.16 118.16 120.97 1ydg n LYS 110 Ca -0.02 -0.98 0.06 0.00 -2.02 0.00 0.00 58.31 55.35 1ydg n LYS 110 Cb 0.22 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 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 0.29 0.63 -4.77 -0.35 4.77 -1.26 -4.67 117.00 111.65 1ydg n LEU 111 Ca 0.10 -0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 55.21 1ydg n LEU 111 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1ydg n LEU 111 CO 0.07 0.16 0.80 0.00 -1.33 0.00 0.00 177.39 177.08 1ydg s ALA 112 N -2.22 2.97 0.00 -1.18 0.00 -1.09 -3.74 121.76 116.49 1ydg s ALA 112 Ca 0.05 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1ydg s ALA 112 Cb 0.10 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ydg s ALA 112 CO 0.53 -0.56 0.00 0.09 0.00 0.00 0.00 175.76 175.82 1ydg n ASN 113 N -0.50 0.00 -4.77 0.00 3.02 0.07 -4.94 115.26 108.14 1ydg n ASN 113 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.25 1ydg n ASN 113 Cb 0.49 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.08 3.83 0.42 3.52 1.02 -1.25 -4.55 119.74 122.66 1ydg s LYS 114 Ca 0.00 1.79 -0.23 0.00 0.02 0.00 0.00 55.97 57.55 1ydg s LYS 114 Cb 0.00 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1ydg s LYS 114 CO 0.00 -0.49 1.02 0.95 -0.92 0.00 0.00 175.35 175.90 1ydg s THR 115 N -1.52 3.92 -0.01 2.17 -4.23 -0.69 -1.15 115.64 114.13 1ydg s THR 115 Ca 0.62 1.34 0.01 0.00 -1.18 0.00 0.00 61.69 62.48 1ydg s THR 115 Cb -0.29 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 69.93 1ydg s THR 115 CO 0.35 -0.11 -0.01 0.12 -0.54 0.00 0.00 174.62 174.43 1ydg s PHE 116 N -1.84 0.20 0.26 3.99 5.36 -0.43 -0.78 117.98 124.73 1ydg s PHE 116 Ca 0.61 -0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 56.55 1ydg s PHE 116 Cb -0.18 -0.19 -0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1ydg s PHE 116 CO 0.22 -0.04 0.26 -1.54 -1.46 0.00 0.00 175.22 172.66 1ydg s SER 117 N 0.29 0.57 0.04 6.13 1.04 -0.82 -0.71 113.70 120.25 1ydg s SER 117 Ca -0.03 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 54.96 1ydg s SER 117 Cb -0.05 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1ydg s SER 117 CO -0.01 -1.00 0.01 0.00 0.98 0.00 0.00 173.24 173.22 1ydg s ALA 118 N -3.83 0.22 0.16 5.32 0.00 -1.26 -2.15 121.76 120.22 1ydg s ALA 118 Ca 0.36 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ydg s ALA 118 Cb 0.04 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1ydg s ALA 118 CO 0.16 -0.29 -0.02 -1.64 0.00 0.00 0.00 175.76 173.97 1ydg s MET 119 N -2.77 1.07 0.25 0.00 -1.94 0.22 -3.78 119.30 112.35 1ydg s MET 119 Ca -0.04 -1.50 -0.16 0.00 -1.71 0.00 0.00 55.69 52.28 1ydg s MET 119 Cb -0.00 -0.32 0.01 0.00 2.01 0.00 0.00 34.83 36.52 1ydg s MET 119 CO -0.06 -0.08 0.57 -0.08 -0.01 0.00 0.00 175.02 175.36 1ydg s THR 120 N -3.59 0.00 -0.01 2.05 -1.32 -0.38 -2.27 115.64 110.12 1ydg s THR 120 Ca 0.21 -1.17 -0.11 0.00 -1.21 0.00 0.00 61.69 59.42 1ydg s THR 120 Cb 0.05 -2.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.02 1ydg s THR 120 CO 0.02 -0.02 0.22 -0.94 -2.21 0.00 0.00 174.62 171.69 1ydg s SER 121 N -2.96 -0.08 0.17 8.08 1.04 -1.20 -1.83 113.70 116.91 1ydg s SER 121 Ca 0.16 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.52 1ydg s SER 121 Cb -0.03 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1ydg s SER 121 CO 0.06 -0.38 0.16 0.00 0.98 0.00 0.00 173.24 174.06 1ydg s ALA 122 N -1.26 0.68 -0.86 5.32 0.00 -1.05 -0.15 121.76 124.44 1ydg s ALA 122 Ca -0.13 -1.37 0.26 0.00 0.00 0.00 0.00 51.96 50.72 1ydg s ALA 122 Cb -0.06 1.03 0.77 0.00 0.00 0.00 0.00 23.12 24.86 1ydg s ALA 122 CO 0.03 -0.58 1.63 1.04 0.00 0.00 0.00 175.76 177.88 1ydg n GLN 123 N -0.19 0.12 -5.11 0.00 1.13 -1.26 -0.19 117.38 111.87 1ydg n GLN 123 Ca -0.03 0.06 -0.30 0.00 -1.94 0.00 0.00 57.00 54.80 1ydg n GLN 123 Cb 0.64 -1.61 -0.15 0.00 0.11 0.00 0.00 30.24 29.23 1ydg n GLN 123 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1ydg s ASN 124 N -3.60 2.89 0.25 1.08 0.01 -1.26 -4.73 114.94 109.58 1ydg s ASN 124 Ca 0.11 -0.48 -0.05 0.00 -0.71 0.00 0.00 52.86 51.73 1ydg s ASN 124 Cb 0.16 -0.30 0.29 0.00 0.41 0.00 0.00 41.25 41.80 1ydg s ASN 124 CO 0.63 0.28 1.90 0.58 -1.51 0.00 0.00 177.10 178.98 1ydg h VAL 125 N 4.46 1.25 -0.56 1.60 2.07 -1.98 -1.92 116.25 121.16 1ydg h VAL 125 Ca -0.43 -0.54 -0.30 0.00 0.82 0.00 0.00 66.70 66.24 1ydg h VAL 125 Cb 1.13 -0.03 -0.18 0.00 -1.52 0.00 0.00 31.29 30.69 1ydg h VAL 125 CO 0.46 0.26 0.10 0.59 0.02 0.00 0.00 177.57 179.01 1ydg n ASN 126 N -4.36 3.12 -1.41 0.57 4.13 -1.26 -4.87 115.26 111.18 1ydg n ASN 126 Ca 0.10 -3.76 -0.06 0.00 1.68 0.00 0.00 54.58 52.54 1ydg n ASN 126 Cb 0.06 -0.69 0.03 0.00 -1.54 0.00 0.00 39.78 37.64 1ydg n ASN 126 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ydg n GLY 127 N -1.11 2.79 0.36 7.41 0.00 -0.72 -4.70 105.19 109.21 1ydg n GLY 127 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.44 0.68 0.33 -0.02 0.00 -1.26 -4.45 105.19 100.90 1ydg n GLY 128 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 4.40 -0.26 -0.86 1.61 4.20 -1.89 -0.69 115.11 121.62 1ydg h GLN 129 Ca 0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1ydg h GLN 129 Cb 0.00 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1ydg h GLN 129 CO 0.00 -0.17 0.57 0.93 -0.67 0.00 0.00 178.83 179.49 1ydg h GLU 130 N -0.27 1.13 -0.12 1.46 5.08 -1.94 -0.88 114.58 119.04 1ydg h GLU 130 Ca 0.16 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1ydg h GLU 130 Cb 0.53 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ydg h GLU 130 CO -0.50 0.75 -0.56 1.79 -1.00 0.00 0.00 179.01 179.49 1ydg h THR 131 N 1.17 1.35 -0.42 1.13 1.35 -1.71 -0.37 112.91 115.40 1ydg h THR 131 Ca 0.31 -1.85 0.01 0.00 -0.55 0.00 0.00 66.41 64.34 1ydg h THR 131 Cb -0.14 1.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 1ydg h THR 131 CO -0.07 0.56 0.26 0.74 -0.25 0.00 0.00 175.52 176.76 1ydg h THR 132 N 0.28 1.07 -0.27 6.82 2.02 0.16 -0.33 112.91 122.66 1ydg h THR 132 Ca 0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1ydg h THR 132 Cb 1.06 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1ydg h THR 132 CO 0.09 0.10 0.14 -0.07 0.37 0.00 0.00 175.52 176.15 1ydg h LEU 133 N 0.53 0.34 -0.52 2.58 3.38 -1.02 -2.84 115.31 117.77 1ydg h LEU 133 Ca 0.16 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1ydg h LEU 133 Cb -0.02 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1ydg h LEU 133 CO -0.06 0.35 0.03 -0.61 0.09 0.00 0.00 178.44 178.24 1ydg h GLN 134 N 0.31 0.14 -0.20 1.13 4.15 -0.67 -1.35 115.11 118.62 1ydg h GLN 134 Ca 0.09 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1ydg h GLN 134 Cb 0.09 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1ydg h GLN 134 CO -0.01 0.09 -0.14 1.79 -1.93 0.00 0.00 178.83 178.63 1ydg h THR 135 N 0.15 1.21 -0.21 2.39 1.35 -0.88 -0.02 112.91 116.90 1ydg h THR 135 Ca 0.26 -0.92 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 1ydg h THR 135 Cb 0.39 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1ydg h THR 135 CO -0.41 0.29 -0.47 -0.07 -0.25 0.00 0.00 175.52 174.61 1ydg h LEU 136 N 0.31 0.77 -0.60 3.87 3.38 -1.16 -2.62 115.31 119.26 1ydg h LEU 136 Ca 0.06 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1ydg h LEU 136 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ydg h LEU 136 CO 0.03 1.20 0.33 1.88 0.09 0.00 0.00 178.44 181.96 1ydg h TYR 137 N 0.39 0.82 -0.76 1.13 0.05 -0.96 -2.19 116.97 115.45 1ydg h TYR 137 Ca -0.00 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.79 1ydg h TYR 137 Cb 1.09 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.52 1ydg h TYR 137 CO 0.09 0.60 0.49 0.52 -1.05 0.00 0.00 178.16 178.80 1ydg h MET 138 N 0.81 0.93 -0.31 4.88 2.86 -0.98 -1.84 114.93 121.28 1ydg h MET 138 Ca 0.21 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 1ydg h MET 138 Cb 0.05 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1ydg h MET 138 CO -0.03 0.61 0.07 1.15 1.06 0.00 0.00 176.91 179.77 1ydg h THR 139 N 0.96 0.86 -0.37 2.22 2.02 -1.31 -2.59 112.91 114.70 1ydg h THR 139 Ca 0.30 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.46 1ydg h THR 139 Cb -0.00 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1ydg h THR 139 CO -0.10 0.03 0.25 0.00 0.37 0.00 0.00 175.52 176.07 1ydg h ALA 140 N 1.23 1.95 -0.37 6.16 0.00 -0.72 -1.65 119.26 125.86 1ydg h ALA 140 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ydg h ALA 140 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ydg h ALA 140 CO -0.19 -0.01 0.10 0.52 0.00 0.00 0.00 179.25 179.68 1ydg h MET 141 N 0.32 0.54 0.00 0.00 2.86 -0.95 -1.08 114.93 116.61 1ydg h MET 141 Ca 0.16 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1ydg h MET 141 Cb 0.23 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ydg h MET 141 CO -0.03 0.49 -0.05 0.45 1.06 0.00 0.00 176.91 178.82 1ydg h HIS 142 N 0.53 0.00 -0.00 -0.22 3.86 -1.28 -2.40 115.15 115.63 1ydg h HIS 142 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1ydg h HIS 142 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1ydg h HIS 142 CO 0.01 0.05 -0.25 0.91 0.86 0.00 0.00 177.93 179.50 1ydg n TRP 143 N -3.55 0.00 -2.37 2.45 8.01 -0.44 -4.93 117.44 116.61 1ydg n TRP 143 Ca -0.02 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.05 1ydg n TRP 143 Cb 0.16 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 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 1.36 -0.05 3.85 6.99 0.00 -0.90 -2.68 105.19 113.76 1ydg n GLY 144 Ca 0.11 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.67 2.97 -0.37 4.61 0.00 -1.05 -0.75 121.76 124.50 1ydg s ALA 145 Ca 0.06 0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 1ydg s ALA 145 Cb -0.03 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1ydg s ALA 145 CO 0.07 -0.70 0.26 0.08 0.00 0.00 0.00 175.76 175.47 1ydg s VAL 146 N -2.94 5.24 -0.10 0.00 1.01 -0.30 -4.80 120.40 118.51 1ydg s VAL 146 Ca 0.57 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 1ydg s VAL 146 Cb -0.12 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1ydg s VAL 146 CO 0.47 -0.14 0.66 -0.76 0.00 0.00 0.00 175.10 175.33 1ydg s LEU 147 N 1.70 4.27 -0.58 3.92 1.43 -1.26 -1.31 118.68 126.85 1ydg s LEU 147 Ca 0.05 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 1ydg s LEU 147 Cb -0.18 -2.99 0.31 0.00 0.03 0.00 0.00 46.19 43.36 1ydg s LEU 147 CO 0.10 -0.14 0.86 0.35 0.23 0.00 0.00 176.35 177.75 1ydg n THR 148 N 3.97 2.54 -1.36 5.49 -2.24 0.12 -4.90 114.28 117.89 1ydg n THR 148 Ca -0.02 -5.37 -0.33 0.00 -2.27 0.00 0.00 64.05 56.07 1ydg n THR 148 Cb 0.51 -1.54 0.09 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.05 2.14 0.36 -0.78 0.04 -1.26 -4.70 135.00 127.75 1ydg s PRO 149 Ca 0.45 1.52 0.16 0.00 0.04 0.00 0.00 61.00 63.17 1ydg s PRO 149 Cb 0.24 -1.86 0.69 0.00 0.04 0.00 0.00 34.50 33.61 1ydg s PRO 149 CO -0.10 -1.79 1.76 -1.00 0.04 0.00 0.00 177.00 175.92 1ydg h PRO 150 N -0.63 0.00 0.00 0.56 0.13 -1.79 -3.49 132.00 126.78 1ydg h PRO 150 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ydg h PRO 150 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ydg h PRO 150 CO 0.50 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 1ydg n GLY 151 N -0.03 1.10 2.19 1.56 0.00 0.05 -3.07 105.19 106.99 1ydg n GLY 151 Ca -0.01 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 0.55 3.01 1.30 1.61 4.02 -1.26 -4.24 117.16 122.14 1ydg n TYR 152 Ca 0.00 -2.65 0.07 0.00 -0.01 0.00 0.00 57.90 55.31 1ydg n TYR 152 Cb 0.00 -0.93 0.41 0.00 -0.02 0.00 0.00 39.34 38.81 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 -0.82 0.00 -3.89 -0.72 -2.24 -1.18 -4.69 114.28 100.75 1ydg n THR 153 Ca 0.54 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.23 1ydg n THR 153 Cb 0.80 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.79 0.13 0.56 3.42 2.15 -1.26 -5.04 116.67 114.84 1ydg s ASP 154 Ca 0.21 -0.56 0.24 0.00 0.43 0.00 0.00 52.55 52.87 1ydg s ASP 154 Cb 0.10 0.29 1.55 0.00 -0.30 0.00 0.00 42.92 44.55 1ydg s ASP 154 CO 0.16 -0.62 2.16 1.05 -0.17 0.00 0.00 175.17 177.76 1ydg h GLU 155 N 3.20 0.00 -0.67 4.34 9.09 -2.02 -3.00 114.58 125.52 1ydg h GLU 155 Ca -0.33 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.08 1ydg h GLU 155 Cb 1.19 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.26 1ydg h GLU 155 CO 0.53 0.00 0.40 -0.24 0.05 0.00 0.00 179.01 179.76 1ydg h VAL 156 N 0.00 1.19 0.45 -1.06 3.04 -1.96 -2.47 116.25 115.43 1ydg h VAL 156 Ca 0.04 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1ydg h VAL 156 Cb 0.19 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1ydg h VAL 156 CO -0.00 0.20 -0.34 0.40 -1.01 0.00 0.00 177.57 176.81 1ydg h ILE 157 N 0.92 0.30 -0.49 3.17 1.08 -1.88 -1.44 117.51 119.17 1ydg h ILE 157 Ca 0.24 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.80 1ydg h ILE 157 Cb -0.04 0.30 -0.10 0.00 -3.07 0.00 0.00 36.82 33.91 1ydg h ILE 157 CO -0.05 0.00 -0.36 -0.26 -0.69 0.00 0.00 178.15 176.79 1ydg h PHE 158 N -0.78 -1.03 -0.10 1.37 0.04 -1.71 0.47 116.94 115.20 1ydg h PHE 158 Ca -0.04 0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.82 1ydg h PHE 158 Cb 0.67 0.52 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 1ydg h PHE 158 CO -0.15 -0.40 0.11 0.87 -0.60 0.00 0.00 178.31 178.15 1ydg h LYS 159 N -0.23 0.00 -0.47 1.51 1.57 -0.90 -2.39 116.57 115.65 1ydg h LYS 159 Ca 0.19 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1ydg h LYS 159 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1ydg h LYS 159 CO -0.61 0.00 0.05 -1.13 -0.57 0.00 0.00 179.45 177.18 1ydg n SER 160 N -3.82 4.70 0.00 0.86 3.41 -0.60 -4.90 113.62 113.27 1ydg n SER 160 Ca -0.00 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1ydg n SER 160 Cb 0.22 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.05 0.54 3.32 5.00 0.00 -0.90 -4.80 105.19 108.28 1ydg n GLY 161 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.81 -1.12 3.26 -0.02 0.00 0.16 -4.97 105.19 100.70 1ydg n GLY 162 Ca 0.00 0.71 -0.40 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.76 5.63 0.15 1.61 3.84 -1.26 -4.94 114.94 117.20 1ydg s ASN 163 Ca 0.08 -1.55 0.23 0.00 0.21 0.00 0.00 52.86 51.83 1ydg s ASN 163 Cb -0.02 -1.98 0.90 0.00 -0.55 0.00 0.00 41.25 39.61 1ydg s ASN 163 CO 0.81 -0.55 1.71 -0.81 -2.79 0.00 0.00 177.10 175.48 1ydg n PRO 164 N 4.91 0.14 0.08 0.43 -0.04 -1.26 -3.14 135.00 136.11 1ydg n PRO 164 Ca -0.10 0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ydg n PRO 164 Cb 0.43 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1ydg n PRO 164 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1ydg h TYR 165 N 0.00 0.00 0.00 0.54 0.99 -1.93 0.20 116.97 116.77 1ydg h TYR 165 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ydg h TYR 165 Cb 0.46 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1ydg h TYR 165 CO 0.00 0.62 0.00 0.41 -0.00 0.00 0.00 178.16 179.19 1ydg n GLY 166 N 1.32 2.43 3.72 3.88 0.00 -1.19 -4.53 105.19 110.82 1ydg n GLY 166 Ca -0.04 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.03 2.75 -3.66 4.61 0.00 -1.25 -4.71 120.51 117.22 1ydg n ALA 167 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.67 1ydg n ALA 167 Cb 0.00 -2.51 -0.16 0.00 0.00 0.00 0.00 19.45 16.78 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 1.14 0.46 -0.10 0.00 1.04 -1.26 -1.24 113.70 113.73 1ydg s SER 168 Ca 0.75 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 57.18 1ydg s SER 168 Cb -0.52 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1ydg s SER 168 CO 0.33 -0.09 -0.22 -0.69 0.98 0.00 0.00 173.24 173.55 1ydg s VAL 169 N 0.94 1.96 -0.33 5.02 1.01 -0.76 -4.99 120.40 123.26 1ydg s VAL 169 Ca -0.10 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 1ydg s VAL 169 Cb -0.13 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1ydg s VAL 169 CO -0.01 0.54 0.97 -0.89 0.00 0.00 0.00 175.10 175.71 1ydg s THR 170 N 0.47 4.59 -0.24 3.92 2.01 -1.26 -2.52 115.64 122.60 1ydg s THR 170 Ca -0.16 1.48 -0.23 0.00 0.31 0.00 0.00 61.69 63.09 1ydg s THR 170 Cb -0.17 -4.33 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 1ydg s THR 170 CO 0.06 -0.44 0.75 0.00 -0.69 0.00 0.00 174.62 174.31 1ydg s ALA 171 N 3.45 3.63 -0.02 7.40 0.00 0.73 -4.91 121.76 132.05 1ydg s ALA 171 Ca 0.41 -0.24 0.20 0.00 0.00 0.00 0.00 51.96 52.33 1ydg s ALA 171 Cb -0.13 -3.19 0.36 0.00 0.00 0.00 0.00 23.12 20.16 1ydg s ALA 171 CO 0.15 -0.87 1.15 0.27 0.00 0.00 0.00 175.76 176.46 1ydg n ASN 172 N 5.87 0.93 0.00 0.00 6.94 -1.26 -4.41 115.26 123.33 1ydg n ASN 172 Ca 0.03 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1ydg n ASN 172 Cb 0.48 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 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 0.24 1.13 3.70 4.83 0.00 -1.26 -4.98 105.19 108.84 1ydg n GLY 173 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1ydg n GLY 173 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ydg n GLN 174 N 0.00 1.87 -0.79 1.61 -0.06 -1.26 -4.98 117.38 113.77 1ydg n GLN 174 Ca 0.00 0.67 -0.33 0.00 -2.00 0.00 0.00 57.00 55.34 1ydg n GLN 174 Cb 0.00 -2.37 0.12 0.00 -4.06 0.00 0.00 30.24 23.93 1ydg n GLN 174 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1ydg n PRO 175 N -0.02 -0.35 -1.91 3.69 -0.02 -1.26 -4.90 135.00 130.23 1ydg n PRO 175 Ca 0.07 -0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.08 1ydg n PRO 175 Cb 0.40 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.94 4.36 0.49 2.45 1.02 -1.26 -4.99 118.68 119.81 1ydg s LEU 176 Ca 0.56 2.89 -0.19 0.00 0.02 0.00 0.00 54.13 57.42 1ydg s LEU 176 Cb -0.21 -3.65 -0.08 0.00 0.02 0.00 0.00 46.19 42.27 1ydg s LEU 176 CO 0.68 -0.77 1.00 -0.76 0.02 0.00 0.00 176.35 176.52 1ydg s LEU 177 N -1.56 3.77 0.56 1.79 1.43 -1.26 -4.90 118.68 118.51 1ydg s LEU 177 Ca 0.54 1.74 0.24 0.00 -1.03 0.00 0.00 54.13 55.63 1ydg s LEU 177 Cb -0.44 -4.54 1.53 0.00 0.03 0.00 0.00 46.19 42.77 1ydg s LEU 177 CO 0.56 -0.65 2.13 -0.08 0.23 0.00 0.00 176.35 178.54 1ydg h GLU 178 N 1.35 0.00 0.03 1.70 4.57 -1.99 -1.41 114.58 118.83 1ydg h GLU 178 Ca -0.48 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.43 1ydg h GLU 178 Cb 1.20 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1ydg h GLU 178 CO 0.60 0.00 -1.07 -0.97 -1.18 0.00 0.00 179.01 176.39 1ydg h ASN 179 N 0.00 0.83 -0.42 1.04 -0.73 -1.92 -1.44 115.58 112.93 1ydg h ASN 179 Ca 0.07 -0.69 -0.01 0.00 1.87 0.00 0.00 56.30 57.54 1ydg h ASN 179 Cb 0.31 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 1ydg h ASN 179 CO -0.00 1.49 0.22 0.44 -0.37 0.00 0.00 177.43 179.21 1ydg h ASP 180 N 0.34 0.53 -0.73 1.15 3.32 -1.75 -0.89 116.42 118.39 1ydg h ASP 180 Ca -0.13 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1ydg h ASP 180 Cb 1.73 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 41.09 1ydg h ASP 180 CO 0.20 0.48 0.45 0.03 -1.72 0.00 0.00 179.24 178.69 1ydg h ARG 181 N 0.55 0.84 -0.29 3.56 3.08 -1.25 -1.33 114.38 119.53 1ydg h ARG 181 Ca 0.15 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1ydg h ARG 181 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ydg h ARG 181 CO -0.02 0.55 -0.24 0.00 -1.07 0.00 0.00 179.97 179.19 1ydg h ALA 182 N 1.33 1.05 -0.41 0.04 0.00 -1.09 -1.68 119.26 118.50 1ydg h ALA 182 Ca 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ydg h ALA 182 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ydg h ALA 182 CO -0.13 0.58 0.19 1.03 0.00 0.00 0.00 179.25 180.91 1ydg h SER 183 N 0.49 0.55 -0.32 0.00 0.87 -0.62 -1.50 113.55 113.03 1ydg h SER 183 Ca 0.07 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1ydg h SER 183 Cb 0.68 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1ydg h SER 183 CO 0.05 0.54 0.20 0.40 -0.53 0.00 0.00 176.83 177.49 1ydg h ILE 184 N 0.52 1.06 -0.26 2.23 2.04 -1.07 -1.66 117.51 120.39 1ydg h ILE 184 Ca 0.14 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ydg h ILE 184 Cb 0.15 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1ydg h ILE 184 CO -0.02 0.08 0.17 0.03 0.00 0.00 0.00 178.15 178.41 1ydg h ARG 185 N 0.41 0.34 -0.58 2.37 3.08 -1.17 -1.47 114.38 117.36 1ydg h ARG 185 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1ydg h ARG 185 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1ydg h ARG 185 CO -0.04 0.22 0.33 1.25 -1.07 0.00 0.00 179.97 180.66 1ydg h HIS 186 N 0.35 0.78 -0.16 3.04 2.76 -1.18 -1.01 115.15 119.73 1ydg h HIS 186 Ca 0.09 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1ydg h HIS 186 Cb -0.04 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 1ydg h HIS 186 CO -0.06 0.56 0.02 0.37 -1.30 0.00 0.00 177.93 177.51 1ydg h GLN 187 N 0.78 0.07 -0.12 5.26 4.15 -0.83 -1.47 115.11 122.95 1ydg h GLN 187 Ca 0.20 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 1ydg h GLN 187 Cb 0.02 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1ydg h GLN 187 CO -0.03 0.05 -0.22 0.28 -1.93 0.00 0.00 178.83 176.97 1ydg h VAL 188 N 0.08 1.38 -0.30 2.39 2.07 -1.18 -1.97 116.25 118.71 1ydg h VAL 188 Ca 0.08 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1ydg h VAL 188 Cb 0.08 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1ydg h VAL 188 CO -0.11 0.43 0.13 -0.09 0.02 0.00 0.00 177.57 177.95 1ydg h ARG 189 N -0.06 0.27 -0.43 1.57 2.43 -1.15 0.62 114.38 117.64 1ydg h ARG 189 Ca 0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1ydg h ARG 189 Cb 0.80 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1ydg h ARG 189 CO 0.05 0.18 0.15 -0.09 -1.51 0.00 0.00 179.97 178.75 1ydg h ARG 190 N 0.28 0.30 -0.56 0.20 2.43 -1.28 0.01 114.38 115.76 1ydg h ARG 190 Ca 0.13 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ydg h ARG 190 Cb 0.07 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1ydg h ARG 190 CO -0.11 0.20 0.34 0.37 -1.51 0.00 0.00 179.97 179.26 1ydg h GLN 191 N 0.31 0.75 -0.53 0.20 4.15 -0.61 -0.92 115.11 118.46 1ydg h GLN 191 Ca 0.20 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1ydg h GLN 191 Cb 0.20 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1ydg h GLN 191 CO -0.21 0.54 0.34 0.28 -1.93 0.00 0.00 178.83 177.85 1ydg h VAL 192 N 0.75 1.11 -0.44 2.39 2.07 -0.52 -0.61 116.25 121.00 1ydg h VAL 192 Ca 0.20 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ydg h VAL 192 Cb -0.02 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1ydg h VAL 192 CO -0.04 0.13 0.25 -0.33 0.02 0.00 0.00 177.57 177.60 1ydg h GLU 193 N 0.69 0.61 -0.57 1.57 5.08 -0.54 -0.79 114.58 120.64 1ydg h GLU 193 Ca 0.20 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1ydg h GLU 193 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1ydg h GLU 193 CO -0.06 0.47 0.20 -0.07 -1.00 0.00 0.00 179.01 178.55 1ydg h LEU 194 N 0.58 0.81 -0.45 1.33 3.38 -1.00 -2.64 115.31 117.33 1ydg h LEU 194 Ca 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ydg h LEU 194 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1ydg h LEU 194 CO -0.03 0.78 0.16 0.74 0.09 0.00 0.00 178.44 180.19 1ydg h THR 195 N 0.79 1.21 -0.96 0.22 2.02 -0.83 -1.29 112.91 114.07 1ydg h THR 195 Ca 0.19 -0.67 0.08 0.00 0.77 0.00 0.00 66.41 66.78 1ydg h THR 195 Cb 0.25 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 1ydg h THR 195 CO -0.01 0.24 0.60 0.00 0.37 0.00 0.00 175.52 176.73 1ydg h ALA 196 N 1.01 1.36 -0.08 6.16 0.00 -1.08 -1.38 119.26 125.25 1ydg h ALA 196 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ydg h ALA 196 Cb 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ydg h ALA 196 CO -0.01 0.32 -0.00 0.87 0.00 0.00 0.00 179.25 180.42 1ydg h LYS 197 N 1.05 0.15 -0.74 0.00 1.57 -1.08 -0.68 116.57 116.83 1ydg h LYS 197 Ca 0.43 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.23 1ydg h LYS 197 Cb 0.27 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1ydg h LYS 197 CO -0.21 0.42 0.44 -0.07 -0.57 0.00 0.00 179.45 179.46 1ydg h LEU 198 N -0.14 0.66 -0.44 2.94 3.38 -1.02 -0.83 115.31 119.85 1ydg h LEU 198 Ca 0.02 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1ydg h LEU 198 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ydg h LEU 198 CO 0.00 0.43 -0.47 -0.07 0.09 0.00 0.00 178.44 178.42 1ydg h LEU 199 N 0.80 0.85 -0.48 1.67 3.38 -1.13 -2.54 115.31 117.86 1ydg h LEU 199 Ca 0.33 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ydg h LEU 199 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ydg h LEU 199 CO -0.18 1.18 0.15 -0.08 0.09 0.00 0.00 178.44 179.60 1ydg h GLU 200 N 0.62 0.74 -0.55 1.13 4.57 -0.96 -1.28 114.58 118.85 1ydg h GLU 200 Ca 0.03 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1ydg h GLU 200 Cb 1.04 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 1ydg h GLU 200 CO 0.10 0.69 0.37 0.78 -1.18 0.00 0.00 179.01 179.77 1ydg h GLY 201 N 0.63 0.77 1.33 1.92 0.00 -0.98 -2.39 103.07 104.35 1ydg h GLY 201 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ydg h GLY 201 CO -0.01 0.28 -0.52 -1.33 0.00 0.00 0.00 176.54 174.97 1ydg h GLY 202 N 0.74 0.00 0.00 4.60 0.00 -1.42 -3.51 103.07 103.47 1ydg h GLY 202 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1ydg h GLY 202 CO -0.04 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.24