#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3u s LEU 2 N 0.00 3.11 -0.09 -0.89 2.96 -1.26 -0.40 118.68 122.12 1g3u s LEU 2 Ca 0.00 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1g3u s LEU 2 Cb 0.00 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1g3u s LEU 2 CO 0.00 -0.06 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.18 1g3u s ILE 3 N 1.48 2.80 -0.11 6.68 1.01 -0.04 -0.09 121.20 132.94 1g3u s ILE 3 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1g3u s ILE 3 Cb -0.15 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1g3u s ILE 3 CO -0.02 0.56 -0.13 0.00 0.00 0.00 0.00 174.94 175.35 1g3u s ALA 4 N -0.14 2.67 -0.25 9.38 0.00 -0.15 -0.19 121.76 133.07 1g3u s ALA 4 Ca -0.02 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 1g3u s ALA 4 Cb -0.14 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1g3u s ALA 4 CO 0.04 0.35 0.26 0.42 0.00 0.00 0.00 175.76 176.82 1g3u s ILE 5 N -0.01 5.27 0.31 0.00 -1.09 0.73 -0.52 121.20 125.90 1g3u s ILE 5 Ca -0.03 0.36 0.09 0.00 -2.23 0.00 0.00 60.65 58.83 1g3u s ILE 5 Cb -0.14 -3.59 -0.06 0.00 -1.58 0.00 0.00 42.46 37.09 1g3u s ILE 5 CO 0.04 0.25 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.29 1g3u s GLU 6 N 1.57 1.69 0.00 2.79 0.41 0.06 -1.12 118.70 124.10 1g3u s GLU 6 Ca 0.11 -1.85 0.00 0.00 -0.41 0.00 0.00 54.97 52.82 1g3u s GLU 6 Cb -0.15 -1.51 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 1g3u s GLU 6 CO 0.08 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.40 1g3u n GLY 7 N -0.68 3.00 3.66 -1.39 0.00 -1.26 -1.50 105.19 107.01 1g3u n GLY 7 Ca -0.05 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1g3u n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g3u s VAL 8 N -2.00 1.79 0.17 1.61 -7.23 -1.26 -4.91 120.40 108.57 1g3u s VAL 8 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 1g3u s VAL 8 Cb 0.00 -2.55 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 1g3u s VAL 8 CO 0.00 0.00 1.48 -1.81 -0.31 0.00 0.00 175.10 174.46 1g3u s ASP 9 N -3.83 6.68 0.00 4.85 1.01 -1.26 -2.77 116.67 121.35 1g3u s ASP 9 Ca 0.69 2.54 0.00 0.00 0.71 0.00 0.00 52.55 56.48 1g3u s ASP 9 Cb -0.13 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1g3u s ASP 9 CO 0.56 -0.74 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1g3u n GLY 10 N 3.27 0.45 0.19 0.21 0.00 -1.26 -4.46 105.19 103.59 1g3u n GLY 10 Ca 0.11 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1g3u n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3u h ALA 11 N 0.00 0.87 0.00 4.61 0.00 -1.80 -3.39 119.26 119.54 1g3u h ALA 11 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1g3u h ALA 11 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g3u h ALA 11 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1g3u n GLY 12 N 1.14 1.31 0.13 0.00 0.00 -1.26 -4.92 105.19 101.58 1g3u n GLY 12 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1g3u n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3u h LYS 13 N 0.24 0.34 -0.65 1.61 1.57 -1.91 -1.70 116.57 116.07 1g3u h LYS 13 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1g3u h LYS 13 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1g3u h LYS 13 CO 0.00 0.23 0.24 0.07 -0.57 0.00 0.00 179.45 179.42 1g3u h ARG 14 N 0.35 0.97 -0.72 3.15 0.11 -1.98 -0.53 114.38 115.73 1g3u h ARG 14 Ca 0.10 -0.17 -0.06 0.00 0.10 0.00 0.00 59.98 59.95 1g3u h ARG 14 Cb -0.02 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 30.87 1g3u h ARG 14 CO -0.03 0.81 0.20 1.15 0.10 0.00 0.00 179.97 182.19 1g3u h THR 15 N 0.95 1.26 -0.66 0.08 2.02 -1.96 -2.00 112.91 112.60 1g3u h THR 15 Ca 0.22 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 1g3u h THR 15 Cb 0.21 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1g3u h THR 15 CO -0.02 0.37 0.14 0.25 0.37 0.00 0.00 175.52 176.63 1g3u h LEU 16 N 1.08 1.00 -0.40 2.58 5.85 -0.40 -0.56 115.31 124.46 1g3u h LEU 16 Ca 0.23 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1g3u h LEU 16 Cb 0.34 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1g3u h LEU 16 CO -0.00 0.98 0.17 0.58 -0.34 0.00 0.00 178.44 179.82 1g3u h VAL 17 N 1.00 0.92 -0.59 1.05 2.07 -0.91 0.32 116.25 120.11 1g3u h VAL 17 Ca 0.21 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 1g3u h VAL 17 Cb 0.38 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1g3u h VAL 17 CO 0.01 0.06 0.07 1.05 0.02 0.00 0.00 177.57 178.78 1g3u h GLU 18 N 0.35 1.00 -0.20 1.57 4.11 -1.01 -0.39 114.58 120.00 1g3u h GLU 18 Ca 0.18 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 1g3u h GLU 18 Cb 0.13 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1g3u h GLU 18 CO -0.15 0.96 -0.01 0.87 0.07 0.00 0.00 179.01 180.75 1g3u h LYS 19 N 0.90 0.36 -0.35 1.06 1.57 -0.79 -1.87 116.57 117.45 1g3u h LYS 19 Ca 0.18 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1g3u h LYS 19 Cb 0.46 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1g3u h LYS 19 CO 0.02 0.56 0.22 1.25 -0.57 0.00 0.00 179.45 180.93 1g3u h LEU 20 N 0.12 0.40 -1.13 2.94 5.85 -0.33 -0.53 115.31 122.63 1g3u h LEU 20 Ca 0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1g3u h LEU 20 Cb 0.41 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1g3u h LEU 20 CO 0.01 0.31 0.53 0.77 -0.34 0.00 0.00 178.44 179.72 1g3u h SER 21 N 0.46 0.98 -0.63 1.25 4.64 -1.03 -0.45 113.55 118.77 1g3u h SER 21 Ca 0.13 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1g3u h SER 21 Cb -0.03 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 1g3u h SER 21 CO -0.03 0.73 0.37 1.23 -0.87 0.00 0.00 176.83 178.27 1g3u h GLY 22 N 1.15 0.92 0.88 -0.77 0.00 -0.97 -1.57 103.07 102.72 1g3u h GLY 22 Ca 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1g3u h GLY 22 CO -0.06 0.38 0.07 0.00 0.00 0.00 0.00 176.54 176.93 1g3u h ALA 23 N 1.18 0.33 -0.58 3.60 0.00 -0.15 -0.74 119.26 122.91 1g3u h ALA 23 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1g3u h ALA 23 Cb -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1g3u h ALA 23 CO -0.04 -0.02 0.36 0.74 0.00 0.00 0.00 179.25 180.28 1g3u h PHE 24 N 0.24 0.67 -0.41 0.00 0.04 -1.09 -2.46 116.94 113.92 1g3u h PHE 24 Ca 0.08 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1g3u h PHE 24 Cb 0.26 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1g3u h PHE 24 CO 0.01 0.39 -0.04 0.00 -0.60 0.00 0.00 178.31 178.07 1g3u h ARG 25 N 0.71 0.69 0.00 1.51 3.08 -1.11 -1.18 114.38 118.09 1g3u h ARG 25 Ca 0.23 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1g3u h ARG 25 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1g3u h ARG 25 CO -0.09 0.73 -0.05 0.00 -1.07 0.00 0.00 179.97 179.49 1g3u h ALA 26 N 1.32 1.68 -0.21 0.04 0.00 -0.92 -1.68 119.26 119.49 1g3u h ALA 26 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1g3u h ALA 26 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1g3u h ALA 26 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1g3u n ALA 27 N -2.42 2.49 -0.33 0.00 0.00 -0.58 -4.95 120.51 114.72 1g3u n ALA 27 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1g3u n ALA 27 Cb 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1g3u n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g3u n GLY 28 N 1.24 0.83 3.84 0.00 0.00 -0.63 -5.07 105.19 105.40 1g3u n GLY 28 Ca 0.17 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1g3u n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3u s ARG 29 N -0.67 3.86 0.22 1.61 1.81 -0.55 -4.99 118.95 120.25 1g3u s ARG 29 Ca 0.00 0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 54.06 1g3u s ARG 29 Cb 0.00 -3.22 -0.09 0.00 -0.45 0.00 0.00 34.95 31.20 1g3u s ARG 29 CO 0.00 0.70 1.16 -1.54 -0.68 0.00 0.00 175.30 174.94 1g3u s SER 30 N -1.06 7.15 -0.07 0.23 1.04 -1.26 -3.83 113.70 115.90 1g3u s SER 30 Ca 0.23 2.25 0.03 0.00 0.48 0.00 0.00 55.95 58.93 1g3u s SER 30 Cb -0.16 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.35 1g3u s SER 30 CO 0.12 -0.29 -0.15 -0.69 0.98 0.00 0.00 173.24 173.21 1g3u s VAL 31 N -0.46 1.37 0.09 5.02 1.01 -1.26 -1.19 120.40 124.98 1g3u s VAL 31 Ca 0.50 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.95 1g3u s VAL 31 Cb -0.32 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1g3u s VAL 31 CO 0.39 0.41 -0.24 0.00 0.00 0.00 0.00 175.10 175.65 1g3u s ALA 32 N 0.51 2.44 0.07 5.51 0.00 -0.28 -4.99 121.76 125.02 1g3u s ALA 32 Ca -0.14 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1g3u s ALA 32 Cb -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1g3u s ALA 32 CO 0.05 0.55 -0.19 0.95 0.00 0.00 0.00 175.76 177.12 1g3u s THR 33 N -0.99 1.53 -0.03 0.00 -4.23 -1.26 -0.34 115.64 110.32 1g3u s THR 33 Ca 0.14 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1g3u s THR 33 Cb -0.10 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.36 1g3u s THR 33 CO 0.06 -0.00 0.13 -0.22 -0.54 0.00 0.00 174.62 174.04 1g3u s LEU 34 N -1.58 1.55 -0.10 4.79 2.96 -0.76 -4.95 118.68 120.59 1g3u s LEU 34 Ca 0.05 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1g3u s LEU 34 Cb -0.09 0.51 0.01 0.00 0.50 0.00 0.00 46.19 47.12 1g3u s LEU 34 CO 0.03 -0.17 -0.20 0.00 -1.32 0.00 0.00 176.35 174.69 1g3u s ALA 35 N -0.50 1.91 -0.06 5.97 0.00 -1.26 -0.71 121.76 127.10 1g3u s ALA 35 Ca -0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1g3u s ALA 35 Cb -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1g3u s ALA 35 CO 0.01 0.13 0.05 -0.06 0.00 0.00 0.00 175.76 175.88 1g3u s PHE 36 N 0.62 3.28 0.59 0.00 0.08 -0.59 -3.65 117.98 118.30 1g3u s PHE 36 Ca -0.14 0.26 -0.15 0.00 0.12 0.00 0.00 56.93 57.02 1g3u s PHE 36 Cb -0.17 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1g3u s PHE 36 CO 0.04 0.54 1.04 -2.14 -0.10 0.00 0.00 175.22 174.60 1g3u s PRO 37 N -1.19 3.46 -1.32 0.24 0.02 -1.26 -4.55 135.00 130.41 1g3u s PRO 37 Ca 0.17 1.07 -0.11 0.00 0.02 0.00 0.00 61.00 62.15 1g3u s PRO 37 Cb -0.12 -2.06 0.14 0.00 0.02 0.00 0.00 34.50 32.48 1g3u s PRO 37 CO 0.06 -0.68 1.94 0.54 -0.33 0.00 0.00 177.00 178.53 1g3u n ARG 38 N -2.10 3.44 -1.65 5.54 1.74 -1.24 -4.97 116.66 117.42 1g3u n ARG 38 Ca 0.08 -3.33 -0.48 0.00 -0.77 0.00 0.00 57.85 53.35 1g3u n ARG 38 Cb 0.53 -3.02 -0.05 0.00 -1.02 0.00 0.00 32.46 28.91 1g3u n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1g3u n TYR 39 N 4.46 2.09 0.00 -1.55 4.01 -1.26 -1.13 117.16 123.77 1g3u n TYR 39 Ca 0.42 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.51 1g3u n TYR 39 Cb 0.37 -2.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.90 1g3u n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1g3u n GLY 40 N 3.28 3.18 0.01 2.72 0.00 -1.26 -4.80 105.19 108.32 1g3u n GLY 40 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1g3u n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3u n GLN 41 N -1.29 0.88 -3.90 1.61 6.02 -0.29 -4.96 117.38 115.46 1g3u n GLN 41 Ca 0.00 -0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 1g3u n GLN 41 Cb 0.00 -1.35 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1g3u n GLN 41 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1g3u s SER 42 N -3.46 0.07 0.18 1.08 1.04 -1.14 -5.04 113.70 106.42 1g3u s SER 42 Ca -0.02 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 1g3u s SER 42 Cb 0.11 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.48 1g3u s SER 42 CO 0.68 -0.29 1.69 0.58 0.98 0.00 0.00 173.24 176.87 1g3u h VAL 43 N 4.52 1.25 -0.49 5.02 2.07 -1.92 -2.18 116.25 124.51 1g3u h VAL 43 Ca -0.30 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.36 1g3u h VAL 43 Cb 1.20 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1g3u h VAL 43 CO 0.41 0.34 0.20 0.00 0.02 0.00 0.00 177.57 178.55 1g3u h ALA 44 N 1.04 0.61 -0.53 1.67 0.00 -1.94 0.99 119.26 121.10 1g3u h ALA 44 Ca 0.19 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1g3u h ALA 44 Cb 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1g3u h ALA 44 CO 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 179.25 179.17 1g3u h ALA 45 N 1.30 0.70 -0.26 0.00 0.00 -1.76 -1.77 119.26 117.48 1g3u h ALA 45 Ca 0.23 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1g3u h ALA 45 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g3u h ALA 45 CO -0.21 0.44 -0.25 -0.44 0.00 0.00 0.00 179.25 178.79 1g3u h ASP 46 N 0.76 0.67 -0.67 0.00 3.32 -1.03 -1.87 116.42 117.59 1g3u h ASP 46 Ca 0.16 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1g3u h ASP 46 Cb 0.39 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1g3u h ASP 46 CO 0.01 1.00 0.38 0.40 -1.72 0.00 0.00 179.24 179.31 1g3u h ILE 47 N 0.35 1.20 -0.41 0.35 2.04 -0.79 -0.95 117.51 119.30 1g3u h ILE 47 Ca 0.04 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1g3u h ILE 47 Cb 0.81 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1g3u h ILE 47 CO 0.06 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.58 1g3u h ALA 48 N 1.19 0.49 -0.30 1.87 0.00 -1.23 0.12 119.26 121.39 1g3u h ALA 48 Ca 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1g3u h ALA 48 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1g3u h ALA 48 CO -0.04 -0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.08 1g3u h ALA 49 N 1.27 0.40 -0.86 0.00 0.00 -1.00 -1.88 119.26 117.18 1g3u h ALA 49 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1g3u h ALA 49 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1g3u h ALA 49 CO -0.20 0.00 0.51 0.93 0.00 0.00 0.00 179.25 180.49 1g3u h GLU 50 N 0.34 1.17 -0.99 0.00 5.08 -0.95 -2.24 114.58 116.98 1g3u h GLU 50 Ca 0.10 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1g3u h GLU 50 Cb 0.20 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1g3u h GLU 50 CO -0.01 0.83 0.65 0.00 -1.00 0.00 0.00 179.01 179.49 1g3u h ALA 51 N 1.27 1.32 0.00 3.43 0.00 -0.48 -0.83 119.26 123.96 1g3u h ALA 51 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1g3u h ALA 51 Cb -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1g3u h ALA 51 CO -0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1g3u n LEU 52 N -4.45 0.58 -1.51 0.00 4.77 -0.73 -1.98 117.00 113.68 1g3u n LEU 52 Ca 0.13 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.84 1g3u n LEU 52 Cb 0.09 -0.57 0.35 0.00 -2.33 0.00 0.00 43.42 40.96 1g3u n LEU 52 CO 0.35 -0.53 0.81 1.41 -1.33 0.00 0.00 177.39 178.10 1g3u n HIS 53 N -2.15 1.53 0.00 -1.77 8.25 -0.64 -0.65 115.22 119.79 1g3u n HIS 53 Ca 0.02 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 1g3u n HIS 53 Cb 0.22 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1g3u n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g3u n GLY 54 N 0.62 0.69 4.00 -1.41 0.00 -0.84 -5.04 105.19 103.21 1g3u n GLY 54 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1g3u n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g3u s GLU 55 N -0.91 1.83 -1.05 1.61 2.02 -0.41 -4.68 118.70 117.11 1g3u s GLU 55 Ca 0.00 -1.14 -0.04 0.00 0.02 0.00 0.00 54.97 53.81 1g3u s GLU 55 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1g3u s GLU 55 CO 0.00 -1.31 0.90 0.72 0.02 0.00 0.00 175.26 175.59 1g3u n HIS 56 N -2.72 -2.08 0.00 1.61 8.25 -1.26 -4.13 115.22 114.89 1g3u n HIS 56 Ca 0.14 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 1g3u n HIS 56 Cb 0.61 -4.45 0.00 0.00 1.12 0.00 0.00 29.99 27.27 1g3u n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g3u n GLY 57 N -1.42 3.09 0.94 -1.41 0.00 -1.26 -1.97 105.19 103.17 1g3u n GLY 57 Ca -0.12 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1g3u n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g3u n ASP 58 N 4.20 2.65 0.05 1.61 5.68 -1.26 -4.50 116.55 124.97 1g3u n ASP 58 Ca 0.00 -2.27 -0.13 0.00 -0.50 0.00 0.00 54.79 51.89 1g3u n ASP 58 Cb 0.00 -0.46 -0.08 0.00 -1.14 0.00 0.00 41.12 39.45 1g3u n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1g3u h LEU 59 N 1.84 -0.06 -1.56 -2.12 6.46 -1.69 -2.76 115.31 115.42 1g3u h LEU 59 Ca 0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1g3u h LEU 59 Cb 0.91 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1g3u h LEU 59 CO 0.14 0.07 0.00 0.00 -0.62 0.00 0.00 178.44 178.03 1g3u h ALA 60 N 0.76 1.00 0.00 1.25 0.00 -1.82 -2.38 119.26 118.06 1g3u h ALA 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g3u h ALA 60 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1g3u h ALA 60 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92 1g3u h SER 61 N 0.00 0.00 -3.55 0.00 4.64 -1.81 -3.41 113.55 109.42 1g3u h SER 61 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1g3u h SER 61 Cb 0.35 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.32 1g3u h SER 61 CO 0.00 0.00 0.06 -0.55 -0.87 0.00 0.00 176.83 175.47 1g3u s SER 62 N -4.90 6.48 0.14 4.97 0.15 -0.90 -4.96 113.70 114.68 1g3u s SER 62 Ca 0.05 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 57.06 1g3u s SER 62 Cb 0.09 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1g3u s SER 62 CO 0.51 -0.36 1.75 0.58 1.20 0.00 0.00 173.24 176.92 1g3u h VAL 63 N 5.44 1.14 -0.05 4.45 2.07 -1.87 -2.69 116.25 124.74 1g3u h VAL 63 Ca -0.28 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 1g3u h VAL 63 Cb 1.13 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1g3u h VAL 63 CO 0.75 0.14 -0.64 1.88 0.02 0.00 0.00 177.57 179.73 1g3u h TYR 64 N 0.46 0.26 -0.21 1.57 -1.99 -1.95 -1.84 116.97 113.27 1g3u h TYR 64 Ca 0.13 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1g3u h TYR 64 Cb 0.05 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1g3u h TYR 64 CO -0.03 0.78 0.14 0.00 -0.00 0.00 0.00 178.16 179.05 1g3u h ALA 65 N 1.19 0.27 -0.45 3.88 0.00 -1.87 0.38 119.26 122.66 1g3u h ALA 65 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1g3u h ALA 65 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1g3u h ALA 65 CO 0.10 -0.26 0.17 0.52 0.00 0.00 0.00 179.25 179.78 1g3u h MET 66 N 0.28 0.68 -0.67 0.00 2.86 -1.33 -1.69 114.93 115.07 1g3u h MET 66 Ca 0.08 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1g3u h MET 66 Cb -0.03 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.48 1g3u h MET 66 CO -0.02 0.63 0.40 0.00 1.06 0.00 0.00 176.91 178.98 1g3u h ALA 67 N 1.02 0.88 -0.55 6.32 0.00 -1.25 -2.31 119.26 123.37 1g3u h ALA 67 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1g3u h ALA 67 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1g3u h ALA 67 CO -0.01 0.13 0.34 1.15 0.00 0.00 0.00 179.25 180.86 1g3u h THR 68 N 0.77 1.16 -0.66 0.00 2.02 -0.53 -0.69 112.91 114.98 1g3u h THR 68 Ca 0.28 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1g3u h THR 68 Cb 0.08 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1g3u h THR 68 CO -0.13 0.17 0.42 -0.07 0.37 0.00 0.00 175.52 176.28 1g3u h LEU 69 N 0.74 0.71 -0.88 2.58 3.38 -1.01 0.19 115.31 121.02 1g3u h LEU 69 Ca 0.20 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1g3u h LEU 69 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1g3u h LEU 69 CO -0.04 0.50 -0.08 -0.26 0.09 0.00 0.00 178.44 178.66 1g3u h PHE 70 N 0.85 0.80 -0.40 1.13 0.04 -1.12 -0.42 116.94 117.81 1g3u h PHE 70 Ca 0.25 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 1g3u h PHE 70 Cb -0.04 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 1g3u h PHE 70 CO -0.04 0.79 0.08 0.00 -0.60 0.00 0.00 178.31 178.54 1g3u h ALA 71 N 1.23 0.54 -0.58 2.45 0.00 -0.66 -2.21 119.26 120.04 1g3u h ALA 71 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1g3u h ALA 71 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1g3u h ALA 71 CO 0.03 0.24 0.22 -0.07 0.00 0.00 0.00 179.25 179.66 1g3u h LEU 72 N 0.52 0.77 0.18 0.00 3.38 -0.35 0.14 115.31 119.96 1g3u h LEU 72 Ca 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1g3u h LEU 72 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1g3u h LEU 72 CO 0.01 0.71 -0.24 -0.78 0.09 0.00 0.00 178.44 178.22 1g3u h ASP 73 N 0.83 -0.67 -0.92 -0.43 3.58 -0.99 -2.42 116.42 115.40 1g3u h ASP 73 Ca 0.20 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 1g3u h ASP 73 Cb 0.19 0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 1g3u h ASP 73 CO -0.02 -0.34 0.56 0.03 -2.88 0.00 0.00 179.24 176.59 1g3u h ARG 74 N -0.48 1.23 -0.70 0.28 3.08 -0.93 -2.47 114.38 114.38 1g3u h ARG 74 Ca 0.01 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.03 1g3u h ARG 74 Cb 0.48 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1g3u h ARG 74 CO -0.10 0.85 0.46 0.00 -1.07 0.00 0.00 179.97 180.12 1g3u h ALA 75 N 1.31 1.74 0.00 0.04 0.00 -0.62 0.25 119.26 121.98 1g3u h ALA 75 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1g3u h ALA 75 Cb -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1g3u h ALA 75 CO -0.06 0.15 0.00 0.78 0.00 0.00 0.00 179.25 180.11 1g3u h GLY 76 N 0.71 0.00 -1.73 0.00 0.00 -0.95 -3.07 103.07 98.03 1g3u h GLY 76 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1g3u h GLY 76 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.44 1g3u n ALA 77 N -1.88 2.37 -0.07 3.60 0.00 0.84 -4.73 120.51 120.64 1g3u n ALA 77 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.43 1g3u n ALA 77 Cb 0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 1g3u n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g3u h VAL 78 N 3.35 0.89 -0.25 0.00 2.07 -1.38 0.16 116.25 121.09 1g3u h VAL 78 Ca 0.00 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 1g3u h VAL 78 Cb 0.80 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1g3u h VAL 78 CO 0.00 0.03 -0.30 0.45 0.02 0.00 0.00 177.57 177.78 1g3u h HIS 79 N 0.19 0.59 -0.07 1.57 3.86 -1.85 -0.65 115.15 118.79 1g3u h HIS 79 Ca 0.13 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1g3u h HIS 79 Cb 0.12 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1g3u h HIS 79 CO -0.15 0.76 0.02 1.15 0.86 0.00 0.00 177.93 180.57 1g3u h THR 80 N 0.45 0.98 -0.20 2.45 2.02 -1.71 0.76 112.91 117.65 1g3u h THR 80 Ca 0.06 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1g3u h THR 80 Cb 0.75 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1g3u h THR 80 CO 0.06 0.01 0.10 0.40 0.37 0.00 0.00 175.52 176.46 1g3u h ILE 81 N 0.05 1.00 -0.91 3.11 2.04 -0.34 -0.15 117.51 122.31 1g3u h ILE 81 Ca 0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1g3u h ILE 81 Cb 0.02 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1g3u h ILE 81 CO -0.03 0.04 0.50 1.56 0.00 0.00 0.00 178.15 180.22 1g3u h GLN 82 N 0.22 1.27 -0.53 2.37 4.20 -1.01 -1.26 115.11 120.37 1g3u h GLN 82 Ca 0.08 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1g3u h GLN 82 Cb 0.01 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 1g3u h GLN 82 CO -0.05 0.92 0.34 0.78 -0.67 0.00 0.00 178.83 180.15 1g3u h GLY 83 N 1.27 0.75 1.02 3.46 0.00 -0.50 -2.42 103.07 106.65 1g3u h GLY 83 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1g3u h GLY 83 CO -0.05 0.28 0.24 1.41 0.00 0.00 0.00 176.54 178.42 1g3u h LEU 84 N 0.71 0.93 -1.58 3.11 3.38 -0.42 -2.18 115.31 119.27 1g3u h LEU 84 Ca 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1g3u h LEU 84 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1g3u h LEU 84 CO -0.04 0.87 -0.07 0.00 0.09 0.00 0.00 178.44 179.28 1g3u h ARG 86 N 0.17 0.81 0.00 0.00 -0.00 -1.15 -3.37 114.38 110.84 1g3u h ARG 86 Ca 0.04 -0.55 -0.15 0.00 -0.00 0.00 0.00 59.98 59.32 1g3u h ARG 86 Cb 0.25 0.08 -0.03 0.00 -0.00 0.00 0.00 29.97 30.27 1g3u h ARG 86 CO 0.01 1.18 -1.27 0.78 -0.00 0.00 0.00 179.97 180.67 1g3u h GLY 87 N 0.72 0.00 -3.17 0.08 0.00 -1.11 -3.48 103.07 96.11 1g3u h GLY 87 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.67 1g3u h GLY 87 CO 0.13 0.00 -0.82 -0.19 0.00 0.00 0.00 176.54 175.66 1g3u s TYR 88 N -2.95 2.32 0.04 5.60 1.51 -0.15 -5.05 117.35 118.66 1g3u s TYR 88 Ca -0.02 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.48 1g3u s TYR 88 Cb 0.09 -1.14 -0.14 0.00 -0.11 0.00 0.00 41.96 40.66 1g3u s TYR 88 CO 0.80 0.51 1.41 -0.44 -1.11 0.00 0.00 175.55 176.72 1g3u h ASP 89 N 3.16 0.29 -3.36 2.29 3.32 -1.74 -3.43 116.42 116.95 1g3u h ASP 89 Ca -0.46 -0.40 -0.54 0.00 0.02 0.00 0.00 57.03 55.65 1g3u h ASP 89 Cb 1.21 -0.08 -0.34 0.00 0.22 0.00 0.00 39.33 40.34 1g3u h ASP 89 CO 0.49 0.62 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.11 1g3u s VAL 90 N -4.63 1.26 -0.19 -1.35 1.01 -0.33 -2.04 120.40 114.12 1g3u s VAL 90 Ca -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1g3u s VAL 90 Cb 0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1g3u s VAL 90 CO 0.73 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 175.46 1g3u s VAL 91 N 0.80 3.38 -0.17 2.92 1.01 0.47 -1.12 120.40 127.68 1g3u s VAL 91 Ca -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1g3u s VAL 91 Cb -0.15 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1g3u s VAL 91 CO 0.02 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1g3u s ILE 92 N 1.06 2.93 -0.15 2.22 1.01 0.53 -0.86 121.20 127.95 1g3u s ILE 92 Ca 0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1g3u s ILE 92 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1g3u s ILE 92 CO -0.00 0.49 0.01 -0.76 0.00 0.00 0.00 174.94 174.68 1g3u s LEU 93 N 0.98 3.55 -0.65 2.97 1.43 0.73 -1.83 118.68 125.86 1g3u s LEU 93 Ca -0.02 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 1g3u s LEU 93 Cb -0.15 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.31 1g3u s LEU 93 CO -0.01 0.21 0.81 -0.62 0.23 0.00 0.00 176.35 176.96 1g3u s ASP 94 N 0.14 6.25 0.21 2.29 -1.08 0.11 -0.19 116.67 124.40 1g3u s ASP 94 Ca 0.02 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 1g3u s ASP 94 Cb -0.13 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1g3u s ASP 94 CO 0.02 -1.16 0.00 0.54 0.52 0.00 0.00 175.17 175.08 1g3u n ARG 95 N 6.56 -1.61 0.00 4.34 1.74 -0.28 -1.54 116.66 125.88 1g3u n ARG 95 Ca -0.04 1.22 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 1g3u n ARG 95 Cb 0.44 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1g3u n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1g3u n TYR 96 N -1.40 0.00 -0.20 -1.55 9.36 -1.26 -4.05 117.16 118.06 1g3u n TYR 96 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1g3u n TYR 96 Cb 0.08 0.00 0.19 0.00 -0.63 0.00 0.00 39.34 38.98 1g3u n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1g3u h VAL 97 N 0.00 1.22 -0.01 2.97 2.07 -1.99 -2.14 116.25 118.37 1g3u h VAL 97 Ca 0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1g3u h VAL 97 Cb 0.00 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1g3u h VAL 97 CO 0.00 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1g3u h ALA 98 N 1.38 2.00 -0.76 1.67 0.00 -1.96 -1.03 119.26 120.56 1g3u h ALA 98 Ca 0.23 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1g3u h ALA 98 Cb 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1g3u h ALA 98 CO -0.03 -0.01 0.42 0.77 0.00 0.00 0.00 179.25 180.41 1g3u h SER 99 N 0.00 0.60 -0.66 0.00 0.02 -1.79 -0.43 113.55 111.29 1g3u h SER 99 Ca 0.00 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1g3u h SER 99 Cb 0.01 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1g3u h SER 99 CO -0.00 0.36 0.22 -1.13 -1.14 0.00 0.00 176.83 175.14 1g3u h ASN 100 N 0.73 0.95 -0.42 3.07 -1.24 -1.30 -1.70 115.58 115.67 1g3u h ASN 100 Ca 0.36 -0.20 -0.04 0.00 0.71 0.00 0.00 56.30 57.13 1g3u h ASN 100 Cb 0.30 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1g3u h ASN 100 CO -0.23 0.89 0.11 0.00 -1.29 0.00 0.00 177.43 176.92 1g3u h ALA 101 N 1.09 0.55 -0.04 1.57 0.00 -1.30 -1.36 119.26 119.76 1g3u h ALA 101 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1g3u h ALA 101 Cb 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1g3u h ALA 101 CO -0.01 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 1g3u h ALA 102 N 0.97 0.06 -0.47 0.00 0.00 -0.97 -1.45 119.26 117.40 1g3u h ALA 102 Ca 0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1g3u h ALA 102 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1g3u h ALA 102 CO -0.00 -0.17 -0.23 1.88 0.00 0.00 0.00 179.25 180.73 1g3u h TYR 103 N -0.33 1.12 -0.17 0.00 -1.99 -1.39 -1.55 116.97 112.67 1g3u h TYR 103 Ca 0.01 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.44 1g3u h TYR 103 Cb 0.51 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1g3u h TYR 103 CO 0.08 1.10 0.01 0.77 -0.00 0.00 0.00 178.16 180.12 1g3u h SER 104 N 0.84 0.28 -0.42 3.88 0.02 -1.24 0.10 113.55 117.00 1g3u h SER 104 Ca 0.11 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1g3u h SER 104 Cb 0.80 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1g3u h SER 104 CO 0.07 0.49 0.22 0.00 -1.14 0.00 0.00 176.83 176.48 1g3u h ALA 105 N 0.79 0.53 -0.90 3.77 0.00 -1.27 -2.52 119.26 119.65 1g3u h ALA 105 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1g3u h ALA 105 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1g3u h ALA 105 CO 0.01 -0.12 0.59 0.00 0.00 0.00 0.00 179.25 179.73 1g3u h ALA 106 N 1.21 1.15 -0.24 0.00 0.00 -1.11 0.13 119.26 120.40 1g3u h ALA 106 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1g3u h ALA 106 Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1g3u h ALA 106 CO -0.11 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1g3u h ARG 107 N 1.23 0.36 -0.02 0.00 3.08 -0.58 -2.55 114.38 115.90 1g3u h ARG 107 Ca 0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1g3u h ARG 107 Cb -0.13 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1g3u h ARG 107 CO -0.07 0.42 0.00 1.28 -1.07 0.00 0.00 179.97 180.53 1g3u n LEU 108 N -4.32 1.66 -3.19 3.04 4.77 -0.88 -4.94 117.00 113.14 1g3u n LEU 108 Ca 0.00 -0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 55.21 1g3u n LEU 108 Cb 0.22 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1g3u n LEU 108 CO 0.38 0.28 0.15 1.41 -1.33 0.00 0.00 177.39 178.28 1g3u n HIS 109 N 0.30 -2.40 -3.65 -1.77 8.25 -0.50 -5.01 115.22 110.43 1g3u n HIS 109 Ca 0.18 0.79 -0.20 0.00 -0.26 0.00 0.00 57.72 58.23 1g3u n HIS 109 Cb 0.38 -4.60 -0.03 0.00 1.12 0.00 0.00 29.99 26.86 1g3u n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1g3u s GLU 110 N -6.02 2.76 0.31 -0.41 2.02 0.35 -5.01 118.70 112.70 1g3u s GLU 110 Ca 0.46 -1.29 0.04 0.00 0.02 0.00 0.00 54.97 54.20 1g3u s GLU 110 Cb -0.20 -2.54 0.04 0.00 0.10 0.00 0.00 34.13 31.53 1g3u s GLU 110 CO 0.57 0.01 0.35 0.27 0.02 0.00 0.00 175.26 176.48 1g3u n ASN 111 N -1.49 1.48 0.27 -0.19 0.23 -1.26 -4.30 115.26 110.01 1g3u n ASN 111 Ca 0.00 -1.92 0.14 0.00 -0.53 0.00 0.00 54.58 52.27 1g3u n ASN 111 Cb 0.60 -0.15 0.79 0.00 -2.08 0.00 0.00 39.78 38.94 1g3u n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3u h ALA 112 N 0.46 1.28 -0.44 -2.53 0.00 -1.93 -1.59 119.26 114.51 1g3u h ALA 112 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1g3u h ALA 112 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1g3u h ALA 112 CO 0.25 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1g3u n ALA 113 N -2.26 2.81 -1.74 0.00 0.00 -1.26 -4.73 120.51 113.32 1g3u n ALA 113 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1g3u n ALA 113 Cb 0.21 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1g3u n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g3u n GLY 114 N 0.92 0.14 0.26 0.00 0.00 -0.60 -4.92 105.19 101.00 1g3u n GLY 114 Ca 0.17 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1g3u n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3u h LYS 115 N 0.00 0.91 -0.27 1.61 1.57 -1.93 -2.90 116.57 115.56 1g3u h LYS 115 Ca 0.00 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1g3u h LYS 115 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1g3u h LYS 115 CO 0.00 1.18 0.08 0.00 -0.57 0.00 0.00 179.45 180.14 1g3u h ALA 116 N 0.72 0.36 -0.73 3.86 0.00 -1.93 0.61 119.26 122.15 1g3u h ALA 116 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1g3u h ALA 116 Cb 1.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1g3u h ALA 116 CO 0.11 0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.61 1g3u h ALA 117 N 0.91 1.06 -0.78 0.00 0.00 -1.80 -0.83 119.26 117.81 1g3u h ALA 117 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1g3u h ALA 117 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1g3u h ALA 117 CO -0.00 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.20 1g3u h ALA 118 N 1.19 1.06 -0.63 0.00 0.00 -1.31 -1.72 119.26 117.85 1g3u h ALA 118 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1g3u h ALA 118 Cb 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1g3u h ALA 118 CO -0.01 0.66 0.31 2.35 0.00 0.00 0.00 179.25 182.56 1g3u h TRP 119 N 1.14 0.90 -0.23 0.00 7.01 -0.15 -1.44 115.95 123.17 1g3u h TRP 119 Ca 0.26 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1g3u h TRP 119 Cb 0.22 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1g3u h TRP 119 CO 0.02 0.67 0.15 0.28 -2.79 0.00 0.00 178.44 176.77 1g3u h VAL 120 N 0.86 1.07 -0.25 2.65 2.07 -0.92 0.83 116.25 122.57 1g3u h VAL 120 Ca 0.22 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1g3u h VAL 120 Cb 0.11 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1g3u h VAL 120 CO -0.03 0.07 -0.29 1.56 0.02 0.00 0.00 177.57 178.90 1g3u h GLN 121 N 0.30 -0.29 -0.35 1.57 1.08 -1.12 0.41 115.11 116.71 1g3u h GLN 121 Ca 0.08 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1g3u h GLN 121 Cb -0.01 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1g3u h GLN 121 CO -0.02 -0.19 0.22 0.00 -0.95 0.00 0.00 178.83 177.89 1g3u h ARG 122 N -0.30 0.48 0.13 1.46 3.08 -0.87 -2.49 114.38 115.87 1g3u h ARG 122 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1g3u h ARG 122 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1g3u h ARG 122 CO -0.42 0.35 -0.06 0.82 -1.07 0.00 0.00 179.97 179.59 1g3u h ILE 123 N 0.46 0.99 0.11 2.04 1.08 -0.69 -1.51 117.51 119.99 1g3u h ILE 123 Ca 0.13 -1.15 -0.18 0.00 -0.39 0.00 0.00 64.86 63.27 1g3u h ILE 123 Cb -0.00 1.64 0.01 0.00 -3.07 0.00 0.00 36.82 35.40 1g3u h ILE 123 CO -0.02 0.25 -0.85 -0.33 -0.69 0.00 0.00 178.15 176.50 1g3u h GLU 124 N -0.78 0.23 0.09 2.37 5.08 -0.98 0.11 114.58 120.70 1g3u h GLU 124 Ca -0.02 -0.40 -0.16 0.00 -1.00 0.00 0.00 59.36 57.79 1g3u h GLU 124 Cb 0.54 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1g3u h GLU 124 CO 0.03 1.19 -0.73 0.74 -1.00 0.00 0.00 179.01 179.24 1g3u h PHE 125 N -0.47 0.36 0.00 4.33 0.04 -1.58 -1.80 116.94 117.82 1g3u h PHE 125 Ca -0.17 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.29 1g3u h PHE 125 Cb 1.57 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.69 1g3u h PHE 125 CO 0.19 1.28 -0.34 0.00 -0.60 0.00 0.00 178.31 178.85 1g3u h ALA 126 N 0.01 0.06 0.02 2.45 0.00 -1.55 -3.10 119.26 117.14 1g3u h ALA 126 Ca -0.15 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1g3u h ALA 126 Cb 1.48 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1g3u h ALA 126 CO 0.08 0.21 -0.13 -0.09 0.00 0.00 0.00 179.25 179.32 1g3u h ARG 127 N -1.00 0.05 0.00 0.00 2.43 -1.09 -3.32 114.38 111.46 1g3u h ARG 127 Ca -0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1g3u h ARG 127 Cb 0.79 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1g3u h ARG 127 CO -0.05 1.01 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.16 1g3u h LEU 128 N -0.85 0.00 0.14 3.80 3.38 -0.86 -3.48 115.31 117.44 1g3u h LEU 128 Ca -0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1g3u h LEU 128 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1g3u h LEU 128 CO 0.03 0.02 -0.04 0.61 0.09 0.00 0.00 178.44 179.14 1g3u n GLY 129 N 1.22 0.50 3.73 0.83 0.00 -1.07 -4.99 105.19 105.42 1g3u n GLY 129 Ca 0.04 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1g3u n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g3u s LEU 130 N -0.52 4.37 0.34 0.99 2.01 -0.70 -4.95 118.68 120.23 1g3u s LEU 130 Ca 0.00 2.66 -0.29 0.00 0.01 0.00 0.00 54.13 56.51 1g3u s LEU 130 Cb 0.00 -3.60 -0.11 0.00 0.01 0.00 0.00 46.19 42.48 1g3u s LEU 130 CO 0.00 -0.81 1.54 -0.81 1.01 0.00 0.00 176.35 177.28 1g3u n PRO 131 N 3.47 2.71 -2.36 1.29 -0.04 -1.26 -4.52 135.00 134.29 1g3u n PRO 131 Ca 0.12 0.95 -0.41 0.00 -0.04 0.00 0.00 63.50 64.12 1g3u n PRO 131 Cb 0.39 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.10 1g3u n PRO 131 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1g3u s LYS 132 N -1.42 4.51 0.60 0.54 1.02 -1.26 -5.01 119.74 118.72 1g3u s LYS 132 Ca 0.58 1.90 -0.19 0.00 0.02 0.00 0.00 55.97 58.28 1g3u s LYS 132 Cb -0.48 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1g3u s LYS 132 CO 0.57 -0.04 1.20 -1.25 -0.92 0.00 0.00 175.35 174.92 1g3u s PRO 133 N -0.64 2.96 0.16 -1.68 0.04 -1.26 -4.95 135.00 129.63 1g3u s PRO 133 Ca 0.51 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 1g3u s PRO 133 Cb -0.33 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1g3u s PRO 133 CO 0.39 -1.21 1.43 -0.44 0.04 0.00 0.00 177.00 177.21 1g3u h ASP 134 N 0.85 0.72 -3.66 6.66 3.32 -0.85 -3.42 116.42 120.03 1g3u h ASP 134 Ca -0.50 -0.42 -0.25 0.00 0.02 0.00 0.00 57.03 55.88 1g3u h ASP 134 Cb 1.30 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 1g3u h ASP 134 CO 0.55 1.18 -0.70 0.26 -1.72 0.00 0.00 179.24 178.81 1g3u s TRP 135 N -3.87 -0.02 -0.18 4.55 0.52 -1.08 -4.11 118.94 114.76 1g3u s TRP 135 Ca -0.08 0.11 -0.00 0.00 0.02 0.00 0.00 56.10 56.15 1g3u s TRP 135 Cb 0.10 -0.07 0.00 0.00 -1.15 0.00 0.00 33.47 32.36 1g3u s TRP 135 CO 0.86 -0.04 -0.15 -0.65 0.02 0.00 0.00 176.95 176.99 1g3u s GLN 136 N 0.39 3.17 -0.31 4.98 -0.21 -0.50 -0.98 119.66 126.20 1g3u s GLN 136 Ca -0.03 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.50 1g3u s GLN 136 Cb -0.05 -2.68 -0.00 0.00 1.00 0.00 0.00 33.01 31.28 1g3u s GLN 136 CO -0.01 -0.10 0.14 0.08 -2.12 0.00 0.00 175.29 173.28 1g3u s VAL 137 N 1.11 4.48 -0.34 1.09 1.01 0.32 -1.23 120.40 126.84 1g3u s VAL 137 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1g3u s VAL 137 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1g3u s VAL 137 CO -0.05 0.05 0.73 -0.22 0.00 0.00 0.00 175.10 175.61 1g3u s LEU 138 N 1.59 4.15 -0.79 3.92 2.96 0.84 -0.76 118.68 130.58 1g3u s LEU 138 Ca 0.04 0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 54.15 1g3u s LEU 138 Cb -0.17 -2.96 0.11 0.00 0.50 0.00 0.00 46.19 43.67 1g3u s LEU 138 CO 0.06 -0.63 1.00 -0.22 -1.32 0.00 0.00 176.35 175.23 1g3u s LEU 139 N 2.91 4.99 -0.14 -0.68 2.96 -0.57 -0.46 118.68 127.68 1g3u s LEU 139 Ca 0.29 -1.67 -0.25 0.00 -0.22 0.00 0.00 54.13 52.28 1g3u s LEU 139 Cb -0.14 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1g3u s LEU 139 CO 0.15 -1.16 0.83 0.00 -1.32 0.00 0.00 176.35 174.84 1g3u s ALA 140 N 2.98 3.47 0.04 5.97 0.00 0.39 -4.61 121.76 129.99 1g3u s ALA 140 Ca 0.26 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1g3u s ALA 140 Cb -0.12 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1g3u s ALA 140 CO -0.01 -0.56 -0.06 0.14 0.00 0.00 0.00 175.76 175.27 1g3u s VAL 141 N 1.91 0.43 0.32 0.00 -7.23 -1.26 -4.25 120.40 110.32 1g3u s VAL 141 Ca 0.39 -1.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 1g3u s VAL 141 Cb -0.17 -0.51 -0.13 0.00 0.56 0.00 0.00 36.38 36.13 1g3u s VAL 141 CO 0.14 -0.40 1.29 -1.54 -0.31 0.00 0.00 175.10 174.27 1g3u n SER 142 N 1.52 2.65 -0.12 4.85 3.41 -1.26 -4.88 113.62 119.80 1g3u n SER 142 Ca -0.23 1.20 -0.02 0.00 -0.26 0.00 0.00 58.87 59.55 1g3u n SER 142 Cb 0.55 -1.46 0.21 0.00 -0.26 0.00 0.00 64.21 63.24 1g3u n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3u h ALA 143 N 2.76 1.24 -0.43 7.33 0.00 -1.97 -1.73 119.26 126.47 1g3u h ALA 143 Ca -0.45 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1g3u h ALA 143 Cb 1.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1g3u h ALA 143 CO 0.64 0.53 0.27 1.05 0.00 0.00 0.00 179.25 181.74 1g3u h GLU 144 N 0.77 0.53 -0.49 0.00 -0.00 -1.97 -1.48 114.58 111.94 1g3u h GLU 144 Ca 0.17 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.36 59.42 1g3u h GLU 144 Cb 0.28 -0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 28.90 1g3u h GLU 144 CO -0.00 0.35 0.00 1.37 -0.00 0.00 0.00 179.01 180.73 1g3u h LEU 145 N 0.54 0.84 -0.91 3.06 -0.00 -1.84 -1.91 115.31 115.10 1g3u h LEU 145 Ca 0.16 -0.31 -0.01 0.00 -0.00 0.00 0.00 57.88 57.72 1g3u h LEU 145 Cb -0.03 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.36 1g3u h LEU 145 CO -0.06 0.94 0.51 0.00 -0.00 0.00 0.00 178.44 179.84 1g3u h ALA 146 N 0.93 1.17 -0.40 0.17 0.00 -1.24 -2.08 119.26 117.81 1g3u h ALA 146 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1g3u h ALA 146 Cb 0.51 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1g3u h ALA 146 CO 0.02 0.66 -0.16 0.78 0.00 0.00 0.00 179.25 180.56 1g3u h GLY 147 N 1.27 0.80 1.18 0.00 0.00 -1.04 -1.83 103.07 103.45 1g3u h GLY 147 Ca 0.32 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1g3u h GLY 147 CO -0.05 0.58 0.18 -2.09 0.00 0.00 0.00 176.54 175.16 1g3u h GLU 148 N 0.66 1.03 -0.35 4.80 4.22 -1.05 -1.61 114.58 122.28 1g3u h GLU 148 Ca 0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 59.36 59.28 1g3u h GLU 148 Cb 0.64 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1g3u h GLU 148 CO 0.04 0.89 0.05 0.00 -2.18 0.00 0.00 179.01 177.81 1g3u h ARG 149 N 0.98 0.58 -0.45 1.92 3.08 -0.91 -0.07 114.38 119.51 1g3u h ARG 149 Ca 0.21 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1g3u h ARG 149 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1g3u h ARG 149 CO -0.00 0.67 0.29 0.77 -1.07 0.00 0.00 179.97 180.63 1g3u h SER 150 N 0.41 0.51 -0.55 7.04 0.02 -1.23 -1.56 113.55 118.19 1g3u h SER 150 Ca 0.10 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1g3u h SER 150 Cb 0.37 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1g3u h SER 150 CO 0.01 0.37 0.34 0.03 -1.14 0.00 0.00 176.83 176.43 1g3u h ARG 151 N 0.60 0.65 -0.71 3.45 3.08 -1.18 -2.53 114.38 117.74 1g3u h ARG 151 Ca 0.17 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1g3u h ARG 151 Cb -0.06 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1g3u h ARG 151 CO -0.04 0.43 0.47 0.78 -1.07 0.00 0.00 179.97 180.54 1g3u h GLY 152 N 0.67 1.00 1.00 0.04 0.00 -0.81 -2.00 103.07 102.96 1g3u h GLY 152 Ca 0.22 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1g3u h GLY 152 CO -0.09 0.37 0.34 -0.09 0.00 0.00 0.00 176.54 177.07 1g3u h ARG 153 N 0.96 0.77 -0.46 4.80 2.43 -1.05 -2.42 114.38 119.41 1g3u h ARG 153 Ca 0.26 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1g3u h ARG 153 Cb -0.11 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 1g3u h ARG 153 CO -0.06 0.55 -0.04 0.00 -1.51 0.00 0.00 179.97 178.91 1g3u h ALA 154 N 1.17 1.07 -0.86 2.80 0.00 -1.20 -1.37 119.26 120.87 1g3u h ALA 154 Ca 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1g3u h ALA 154 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1g3u h ALA 154 CO -0.04 0.58 0.46 1.96 0.00 0.00 0.00 179.25 182.21 1g3u h GLN 155 N 0.72 1.21 0.00 0.00 1.08 -0.91 -3.18 115.11 114.03 1g3u h GLN 155 Ca 0.13 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1g3u h GLN 155 Cb 0.50 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1g3u h GLN 155 CO 0.03 0.90 -0.87 2.89 -0.95 0.00 0.00 178.83 180.82 1g3u n ARG 156 N -4.35 0.05 -3.93 1.46 1.85 -0.96 -4.86 116.66 105.92 1g3u n ARG 156 Ca 0.09 -0.01 -0.26 0.00 -1.00 0.00 0.00 57.85 56.67 1g3u n ARG 156 Cb 0.11 -1.51 -0.17 0.00 -1.05 0.00 0.00 32.46 29.84 1g3u n ARG 156 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1g3u s ASP 157 N -3.13 2.11 0.40 2.89 -1.08 -0.53 -5.02 116.67 112.31 1g3u s ASP 157 Ca 0.08 -0.29 0.21 0.00 -0.52 0.00 0.00 52.55 52.04 1g3u s ASP 157 Cb 0.16 -0.81 0.63 0.00 -1.46 0.00 0.00 42.92 41.44 1g3u s ASP 157 CO 0.81 -0.12 1.70 1.55 0.52 0.00 0.00 175.17 179.64 1g3u h PRO 158 N 8.12 0.00 -0.38 4.34 0.13 -1.86 -1.99 132.00 140.35 1g3u h PRO 158 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1g3u h PRO 158 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1g3u h PRO 158 CO 0.40 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1g3u n GLY 159 N 0.54 0.85 2.09 1.56 0.00 -1.26 -4.06 105.19 104.90 1g3u n GLY 159 Ca 0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1g3u n GLY 159 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1g3u n ARG 160 N 0.66 3.03 -1.59 1.61 3.00 -0.75 -5.08 116.66 117.54 1g3u n ARG 160 Ca 0.14 -3.94 -0.39 0.00 -0.00 0.00 0.00 57.85 53.66 1g3u n ARG 160 Cb 0.35 -2.05 0.04 0.00 0.00 0.00 0.00 32.46 30.79 1g3u n ARG 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1g3u n ALA 161 N -0.69 -0.03 -1.78 5.13 0.00 -1.25 -3.62 120.51 118.27 1g3u n ALA 161 Ca 0.34 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 1g3u n ALA 161 Cb 0.92 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1g3u n ALA 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3u s ARG 162 N -2.38 3.77 0.67 0.00 0.52 -1.26 -4.98 118.95 115.29 1g3u s ARG 162 Ca 0.70 1.67 0.03 0.00 -0.52 0.00 0.00 55.73 57.61 1g3u s ARG 162 Cb -0.47 -2.34 0.11 0.00 0.52 0.00 0.00 34.95 32.77 1g3u s ARG 162 CO 0.52 -0.52 0.93 0.16 0.02 0.00 0.00 175.30 176.40 1g3u s ASP 163 N -1.51 4.59 0.34 0.23 1.47 -1.26 -4.89 116.67 115.65 1g3u s ASP 163 Ca 0.64 -0.54 0.07 0.00 1.18 0.00 0.00 52.55 53.91 1g3u s ASP 163 Cb -0.26 0.10 0.76 0.00 -0.34 0.00 0.00 42.92 43.18 1g3u s ASP 163 CO 0.31 -1.69 1.87 0.78 0.68 0.00 0.00 175.17 177.12 1g3u h ASN 164 N -0.29 0.71 -0.16 2.11 2.35 -1.26 -1.80 115.58 117.24 1g3u h ASN 164 Ca -0.34 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 1g3u h ASN 164 Cb 1.27 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1g3u h ASN 164 CO 0.40 0.37 -0.45 1.88 -1.65 0.00 0.00 177.43 177.99 1g3u h TYR 165 N 0.76 0.76 -0.52 1.19 0.05 -1.94 -3.15 116.97 114.13 1g3u h TYR 165 Ca 0.45 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1g3u h TYR 165 Cb 0.64 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1g3u h TYR 165 CO -0.00 1.07 0.28 0.93 -1.05 0.00 0.00 178.16 179.38 1g3u h GLU 166 N 0.24 0.71 0.00 4.88 5.08 -1.78 -2.13 114.58 121.58 1g3u h GLU 166 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1g3u h GLU 166 Cb 1.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1g3u h GLU 166 CO 0.10 0.53 0.00 0.54 -1.00 0.00 0.00 179.01 179.18 1g3u n ARG 167 N -4.40 0.17 -3.21 2.33 1.74 -0.74 -4.53 116.66 108.02 1g3u n ARG 167 Ca 0.04 0.30 -0.46 0.00 -0.77 0.00 0.00 57.85 56.97 1g3u n ARG 167 Cb 0.10 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 1g3u n ARG 167 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1g3u s ASP 168 N -4.05 6.49 0.22 0.55 -1.08 -0.80 -4.92 116.67 113.08 1g3u s ASP 168 Ca 0.07 -2.12 -0.08 0.00 -0.52 0.00 0.00 52.55 49.90 1g3u s ASP 168 Cb 0.11 -2.26 0.23 0.00 -1.46 0.00 0.00 42.92 39.53 1g3u s ASP 168 CO 0.45 -0.84 1.87 0.00 0.52 0.00 0.00 175.17 177.17 1g3u h ALA 169 N 8.50 1.05 -0.17 3.66 0.00 -1.83 -2.14 119.26 128.33 1g3u h ALA 169 Ca -0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1g3u h ALA 169 Cb 1.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1g3u h ALA 169 CO 0.95 0.35 -0.52 0.93 0.00 0.00 0.00 179.25 180.96 1g3u h GLU 170 N 1.02 0.47 -0.58 0.00 3.07 -1.95 -1.62 114.58 114.99 1g3u h GLU 170 Ca 0.32 -0.29 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1g3u h GLU 170 Cb -0.02 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1g3u h GLU 170 CO -0.10 0.88 0.37 1.25 -1.40 0.00 0.00 179.01 180.01 1g3u h LEU 171 N 0.37 0.62 -0.90 1.33 5.85 -1.82 -0.92 115.31 119.84 1g3u h LEU 171 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1g3u h LEU 171 Cb 1.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1g3u h LEU 171 CO 0.09 0.44 0.48 1.56 -0.34 0.00 0.00 178.44 180.67 1g3u h GLN 172 N 0.74 1.26 -0.26 1.25 1.08 -0.94 0.41 115.11 118.64 1g3u h GLN 172 Ca 0.22 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1g3u h GLN 172 Cb -0.03 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.15 1g3u h GLN 172 CO -0.07 0.93 -0.02 1.96 -0.95 0.00 0.00 178.83 180.68 1g3u h GLN 173 N 1.26 0.48 -0.68 1.46 4.20 -1.16 -1.88 115.11 118.79 1g3u h GLN 173 Ca 0.31 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1g3u h GLN 173 Cb 0.05 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1g3u h GLN 173 CO -0.05 0.65 0.33 0.00 -0.67 0.00 0.00 178.83 179.09 1g3u h ARG 174 N 0.25 0.96 -0.53 1.46 3.08 -0.94 -2.41 114.38 116.25 1g3u h ARG 174 Ca 0.07 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 1g3u h ARG 174 Cb 0.45 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1g3u h ARG 174 CO 0.02 0.74 -0.10 1.15 -1.07 0.00 0.00 179.97 180.70 1g3u h THR 175 N 0.96 1.27 -0.62 2.04 2.02 -0.84 -1.28 112.91 116.45 1g3u h THR 175 Ca 0.24 -1.25 0.05 0.00 0.77 0.00 0.00 66.41 66.22 1g3u h THR 175 Cb 0.10 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1g3u h THR 175 CO -0.03 0.44 0.34 1.23 0.37 0.00 0.00 175.52 177.87 1g3u h GLY 176 N 0.87 0.90 1.44 2.16 0.00 -0.95 -1.27 103.07 106.22 1g3u h GLY 176 Ca 0.14 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 1g3u h GLY 176 CO 0.05 0.14 -0.26 0.00 0.00 0.00 0.00 176.54 176.47 1g3u h ALA 177 N 1.33 0.95 -0.42 3.60 0.00 -1.12 -2.12 119.26 121.48 1g3u h ALA 177 Ca 0.28 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1g3u h ALA 177 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1g3u h ALA 177 CO -0.18 0.61 -0.16 0.28 0.00 0.00 0.00 179.25 179.80 1g3u h VAL 178 N 0.56 1.28 -0.52 0.00 2.07 -1.00 -2.75 116.25 115.89 1g3u h VAL 178 Ca 0.08 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.36 1g3u h VAL 178 Cb 0.74 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1g3u h VAL 178 CO 0.06 0.43 0.25 1.88 0.02 0.00 0.00 177.57 180.21 1g3u h TYR 179 N 0.67 0.45 -0.94 1.57 0.05 -1.12 0.71 116.97 118.36 1g3u h TYR 179 Ca 0.10 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.95 1g3u h TYR 179 Cb 0.71 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.26 1g3u h TYR 179 CO 0.05 0.20 0.60 0.00 -1.05 0.00 0.00 178.16 177.97 1g3u h ALA 180 N 1.29 1.27 -0.43 3.88 0.00 -1.33 -1.27 119.26 122.68 1g3u h ALA 180 Ca 0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1g3u h ALA 180 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1g3u h ALA 180 CO -0.18 0.41 -0.05 0.93 0.00 0.00 0.00 179.25 180.37 1g3u h GLU 181 N 1.12 0.78 -0.75 0.00 5.08 -1.04 -2.29 114.58 117.49 1g3u h GLU 181 Ca 0.39 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1g3u h GLU 181 Cb 0.10 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1g3u h GLU 181 CO -0.15 0.88 0.47 -0.07 -1.00 0.00 0.00 179.01 179.14 1g3u h LEU 182 N 0.61 0.78 -0.21 1.33 3.38 -0.44 -1.19 115.31 119.58 1g3u h LEU 182 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1g3u h LEU 182 Cb 0.55 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1g3u h LEU 182 CO 0.03 0.54 0.10 0.00 0.09 0.00 0.00 178.44 179.20 1g3u h ALA 183 N 1.32 0.26 -0.42 1.53 0.00 -1.20 -1.26 119.26 119.49 1g3u h ALA 183 Ca 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1g3u h ALA 183 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1g3u h ALA 183 CO -0.11 -0.18 0.19 0.00 0.00 0.00 0.00 179.25 179.14 1g3u h ALA 184 N 0.97 1.53 0.00 0.00 0.00 -1.09 -1.57 119.26 119.10 1g3u h ALA 184 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1g3u h ALA 184 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1g3u h ALA 184 CO -0.01 0.37 0.00 0.37 0.00 0.00 0.00 179.25 179.98 1g3u h GLN 185 N 0.59 0.00 -4.93 0.00 4.15 -1.04 -3.48 115.11 110.40 1g3u h GLN 185 Ca 0.15 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.25 1g3u h GLN 185 Cb 0.09 0.00 0.11 0.00 0.21 0.00 0.00 27.48 27.90 1g3u h GLN 185 CO -0.02 0.00 -0.55 0.41 -1.93 0.00 0.00 178.83 176.74 1g3u n GLY 186 N 0.89 -0.26 3.67 2.39 0.00 -0.59 -4.93 105.19 106.35 1g3u n GLY 186 Ca 0.04 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1g3u n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1g3u s TRP 187 N -3.26 2.13 0.00 1.61 -0.00 -0.56 -2.40 118.94 116.45 1g3u s TRP 187 Ca 0.47 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.81 1g3u s TRP 187 Cb -0.21 -3.93 0.00 0.00 -0.00 0.00 0.00 33.47 29.33 1g3u s TRP 187 CO 0.59 -3.85 0.00 0.41 -0.00 0.00 0.00 176.95 174.10 1g3u n GLY 188 N 4.08 2.30 0.00 5.86 0.00 -1.26 -4.84 105.19 111.32 1g3u n GLY 188 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1g3u n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3u n GLY 189 N -2.00 0.10 3.79 -0.02 0.00 -1.01 -4.15 105.19 101.90 1g3u n GLY 189 Ca 0.00 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 1g3u n GLY 189 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g3u s ARG 190 N -1.47 4.19 0.14 1.61 1.70 -1.26 -4.56 118.95 119.30 1g3u s ARG 190 Ca 0.00 1.39 0.08 0.00 -0.47 0.00 0.00 55.73 56.73 1g3u s ARG 190 Cb 0.00 -2.45 -0.04 0.00 -0.57 0.00 0.00 34.95 31.89 1g3u s ARG 190 CO 0.00 -0.10 -0.09 -1.58 -1.08 0.00 0.00 175.30 172.46 1g3u s TRP 191 N -1.79 2.71 -0.05 5.89 0.52 -1.26 -1.41 118.94 123.54 1g3u s TRP 191 Ca 0.59 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.58 1g3u s TRP 191 Cb -0.18 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 1g3u s TRP 191 CO 0.23 0.47 -0.23 -0.51 0.02 0.00 0.00 176.95 176.93 1g3u s LEU 192 N -2.55 2.17 -0.31 2.99 1.43 -0.37 -4.94 118.68 117.11 1g3u s LEU 192 Ca 0.23 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1g3u s LEU 192 Cb -0.10 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1g3u s LEU 192 CO 0.15 0.26 0.17 -0.69 0.23 0.00 0.00 176.35 176.47 1g3u s VAL 193 N -0.27 4.83 0.23 -1.59 1.01 -1.26 -0.11 120.40 123.24 1g3u s VAL 193 Ca -0.00 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 61.81 1g3u s VAL 193 Cb -0.13 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1g3u s VAL 193 CO 0.03 0.09 -0.14 0.68 0.00 0.00 0.00 175.10 175.76 1g3u s VAL 194 N 1.66 2.82 0.60 2.92 -7.23 0.39 -4.96 120.40 116.60 1g3u s VAL 194 Ca 0.05 -2.04 0.10 0.00 -1.81 0.00 0.00 61.98 58.28 1g3u s VAL 194 Cb -0.17 -2.44 0.10 0.00 0.56 0.00 0.00 36.38 34.43 1g3u s VAL 194 CO 0.08 -0.26 0.82 -0.83 -0.31 0.00 0.00 175.10 174.60 1g3u s GLY 195 N -3.18 1.70 0.45 2.32 0.00 -1.26 -0.46 107.32 106.89 1g3u s GLY 195 Ca 0.27 -2.20 0.16 0.00 0.00 0.00 0.00 44.72 42.95 1g3u s GLY 195 CO 0.15 -1.70 1.99 0.00 0.00 0.00 0.00 173.10 173.54 1g3u h ALA 196 N 0.11 1.61 -0.18 3.20 0.00 -1.93 -2.52 119.26 119.55 1g3u h ALA 196 Ca -0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1g3u h ALA 196 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1g3u h ALA 196 CO 0.40 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1g3u n ASP 197 N -4.20 1.11 -4.71 0.00 5.68 -1.26 -4.95 116.55 108.21 1g3u n ASP 197 Ca -0.02 -1.86 -0.41 0.00 -0.50 0.00 0.00 54.79 52.00 1g3u n ASP 197 Cb 0.26 -0.12 0.01 0.00 -1.14 0.00 0.00 41.12 40.13 1g3u n ASP 197 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1g3u n VAL 198 N 0.05 2.36 -2.96 2.12 3.14 -0.95 -4.95 118.33 117.14 1g3u n VAL 198 Ca 0.10 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.57 1g3u n VAL 198 Cb 0.20 -1.61 -0.05 0.00 -1.06 0.00 0.00 33.84 31.32 1g3u n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1g3u s ASP 199 N -0.43 6.79 0.29 6.55 2.15 -1.26 -4.97 116.67 125.80 1g3u s ASP 199 Ca 0.59 0.98 0.01 0.00 0.43 0.00 0.00 52.55 54.56 1g3u s ASP 199 Cb -0.52 -2.41 0.45 0.00 -0.30 0.00 0.00 42.92 40.14 1g3u s ASP 199 CO 0.60 -0.43 1.81 -0.65 -0.17 0.00 0.00 175.17 176.32 1g3u h PRO 200 N 7.62 0.66 -0.33 4.34 0.11 -1.93 0.16 132.00 142.63 1g3u h PRO 200 Ca -0.26 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1g3u h PRO 200 Cb 1.11 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1g3u h PRO 200 CO 0.83 0.69 0.07 0.78 -0.21 0.00 0.00 178.00 180.16 1g3u h GLY 201 N 0.92 0.57 1.06 -0.55 0.00 -1.93 -1.18 103.07 101.97 1g3u h GLY 201 Ca 0.13 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1g3u h GLY 201 CO 0.02 0.34 -0.24 3.21 0.00 0.00 0.00 176.54 179.87 1g3u h ARG 202 N 0.37 0.88 -0.19 4.80 3.08 -1.90 -2.64 114.38 118.78 1g3u h ARG 202 Ca 0.10 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.76 1g3u h ARG 202 Cb 0.32 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1g3u h ARG 202 CO 0.00 1.05 0.10 1.25 -1.07 0.00 0.00 179.97 181.30 1g3u h LEU 203 N 0.69 0.15 -1.28 3.04 6.46 -0.62 -1.05 115.31 122.69 1g3u h LEU 203 Ca 0.08 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1g3u h LEU 203 Cb 0.81 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.69 1g3u h LEU 203 CO 0.07 0.11 0.26 0.00 -0.62 0.00 0.00 178.44 178.26 1g3u h ALA 204 N 1.09 1.45 -0.54 1.25 0.00 -1.23 -1.81 119.26 119.46 1g3u h ALA 204 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1g3u h ALA 204 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1g3u h ALA 204 CO -0.05 0.44 0.30 0.00 0.00 0.00 0.00 179.25 179.94 1g3u h ALA 205 N 1.53 0.69 -0.74 0.00 0.00 -1.02 0.67 119.26 120.39 1g3u h ALA 205 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1g3u h ALA 205 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1g3u h ALA 205 CO -0.03 0.21 0.45 1.15 0.00 0.00 0.00 179.25 181.04 1g3u h THR 206 N 0.73 1.21 0.11 0.00 2.02 -0.67 -3.13 112.91 113.17 1g3u h THR 206 Ca 0.19 -0.46 -0.26 0.00 0.77 0.00 0.00 66.41 66.65 1g3u h THR 206 Cb 0.05 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1g3u h THR 206 CO -0.03 0.22 -1.19 -0.07 0.37 0.00 0.00 175.52 174.82 1g3u h LEU 207 N 1.02 0.40 0.00 2.58 3.38 -1.14 -3.52 115.31 118.04 1g3u h LEU 207 Ca 0.27 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1g3u h LEU 207 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1g3u h LEU 207 CO -0.05 1.31 0.00 0.00 0.09 0.00 0.00 178.44 179.79