#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3u h ASP 2 N 0.00 0.71 -0.14 6.12 3.32 -2.03 -2.53 116.42 121.87 3h3u h ASP 2 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3h3u h ASP 2 Cb 0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3h3u h ASP 2 CO 0.00 0.65 0.07 -0.33 -1.72 0.00 0.00 179.24 177.91 3h3u h GLU 3 N 0.76 0.20 -0.20 3.56 5.08 -2.05 0.16 114.58 122.09 3h3u h GLU 3 Ca 0.18 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3h3u h GLU 3 Cb 0.18 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3h3u h GLU 3 CO -0.01 0.25 -0.09 0.82 -1.00 0.00 0.00 179.01 178.98 3h3u h ILE 4 N 0.10 0.71 -0.65 3.13 2.04 -1.92 -2.03 117.51 118.89 3h3u h ILE 4 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3h3u h ILE 4 Cb 0.12 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3h3u h ILE 4 CO -0.01 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.41 3h3u h LEU 5 N -0.06 0.83 -0.43 1.44 3.38 -1.32 -2.78 115.31 116.37 3h3u h LEU 5 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h3u h LEU 5 Cb 0.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3h3u h LEU 5 CO -0.24 0.71 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3h3u n ALA 6 N -2.34 1.65 1.11 1.53 0.00 0.55 -2.02 120.51 120.98 3h3u n ALA 6 Ca 0.05 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.66 3h3u n ALA 6 Cb 0.11 -1.32 0.63 0.00 0.00 0.00 0.00 19.45 18.86 3h3u n ALA 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h3u n ARG 7 N -1.94 0.12 -1.69 0.00 1.74 -0.80 -4.73 116.66 109.36 3h3u n ARG 7 Ca 0.03 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 3h3u n ARG 7 Cb 0.20 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 3h3u n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h3u n ALA 8 N -1.44 0.96 0.25 7.54 0.00 -0.86 -4.89 120.51 122.08 3h3u n ALA 8 Ca 0.09 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3h3u n ALA 8 Cb 0.32 -2.25 0.65 0.00 0.00 0.00 0.00 19.45 18.17 3h3u n ALA 8 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h3u h GLY 9 N 1.10 0.00 2.00 0.00 0.00 -1.90 -0.87 103.07 103.40 3h3u h GLY 9 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3h3u h GLY 9 CO 0.55 0.00 0.00 4.51 0.00 0.00 0.00 176.54 181.60 3h3u n ILE 10 N -3.48 0.89 0.72 2.60 3.06 -1.26 -2.05 119.36 119.84 3h3u n ILE 10 Ca -0.01 0.26 0.09 0.00 -2.50 0.00 0.00 62.75 60.59 3h3u n ILE 10 Cb 0.31 -1.16 0.07 0.00 0.54 0.00 0.00 39.64 39.39 3h3u n ILE 10 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3h3u n PHE 11 N -2.09 0.00 -1.82 9.51 3.72 -0.34 -4.93 117.46 121.51 3h3u n PHE 11 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3h3u n PHE 11 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3h3u n PHE 11 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3h3u s GLN 12 N -1.44 3.89 0.00 -1.08 0.74 -0.87 -1.87 119.66 119.03 3h3u s GLN 12 Ca 0.20 2.23 0.00 0.00 0.05 0.00 0.00 55.36 57.84 3h3u s GLN 12 Cb 0.14 -4.14 0.00 0.00 1.10 0.00 0.00 33.01 30.11 3h3u s GLN 12 CO 0.22 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 3h3u n GLY 13 N 4.70 0.65 3.71 2.59 0.00 -1.26 -4.93 105.19 110.66 3h3u n GLY 13 Ca 0.21 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3h3u n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3u s VAL 14 N -2.00 4.37 0.09 1.61 1.01 -0.78 -5.03 120.40 119.66 3h3u s VAL 14 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 3h3u s VAL 14 Cb 0.00 -2.94 -0.13 0.00 0.00 0.00 0.00 36.38 33.32 3h3u s VAL 14 CO 0.00 0.42 1.71 -0.62 0.00 0.00 0.00 175.10 176.62 3h3u n GLU 15 N 1.51 2.31 -0.20 2.72 -0.58 -1.26 -4.86 120.64 120.28 3h3u n GLU 15 Ca -0.15 0.84 0.30 0.00 -0.42 0.00 0.00 57.16 57.73 3h3u n GLU 15 Cb 0.53 -2.66 0.73 0.00 -0.57 0.00 0.00 31.44 29.47 3h3u n GLU 15 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3h3u h PRO 16 N 7.33 0.00 0.00 3.49 0.13 -1.97 0.80 132.00 141.77 3h3u h PRO 16 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 3h3u h PRO 16 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3h3u h PRO 16 CO 0.92 0.00 -0.67 0.66 -0.23 0.00 0.00 178.00 178.68 3h3u h SER 17 N 0.00 0.00 0.80 1.44 4.64 -1.98 -0.58 113.55 117.87 3h3u h SER 17 Ca 0.45 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.52 3h3u h SER 17 Cb 1.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 3h3u h SER 17 CO -0.00 0.67 -1.15 0.00 -0.87 0.00 0.00 176.83 175.48 3h3u h ALA 18 N 1.33 0.24 -0.09 5.18 0.00 -1.25 -1.52 119.26 123.15 3h3u h ALA 18 Ca -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 3h3u h ALA 18 Cb 1.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h3u h ALA 18 CO 0.09 1.13 0.04 0.82 0.00 0.00 0.00 179.25 181.33 3h3u h ILE 19 N 0.04 1.11 -0.79 0.00 2.04 -1.23 -2.89 117.51 115.79 3h3u h ILE 19 Ca -0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3h3u h ILE 19 Cb 1.88 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 39.09 3h3u h ILE 19 CO 0.16 0.10 0.43 0.00 0.00 0.00 0.00 178.15 178.84 3h3u h ALA 20 N 0.92 1.28 -0.09 1.87 0.00 -1.11 0.36 119.26 122.48 3h3u h ALA 20 Ca 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3h3u h ALA 20 Cb 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3h3u h ALA 20 CO -0.00 0.59 0.07 0.00 0.00 0.00 0.00 179.25 179.90 3h3u h ALA 21 N 1.37 2.01 0.05 0.00 0.00 -1.13 -1.92 119.26 119.65 3h3u h ALA 21 Ca 0.28 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 3h3u h ALA 21 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3h3u h ALA 21 CO -0.05 -0.12 -1.36 1.25 0.00 0.00 0.00 179.25 178.98 3h3u h LEU 22 N 0.00 0.17 -0.41 0.00 6.46 -1.13 -3.39 115.31 117.00 3h3u h LEU 22 Ca 0.04 -0.71 0.08 0.00 -0.12 0.00 0.00 57.88 57.18 3h3u h LEU 22 Cb 0.18 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.99 3h3u h LEU 22 CO -0.00 1.56 -0.02 0.74 -0.62 0.00 0.00 178.44 180.10 3h3u h THR 23 N -0.63 0.66 -0.53 1.05 2.02 -0.65 -2.12 112.91 112.70 3h3u h THR 23 Ca -0.33 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 66.98 3h3u h THR 23 Cb 1.53 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3h3u h THR 23 CO -0.08 0.01 0.41 0.11 0.37 0.00 0.00 175.52 176.34 3h3u h LYS 24 N 0.08 0.00 -0.01 6.66 1.57 -1.55 0.02 116.57 123.34 3h3u h LYS 24 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3h3u h LYS 24 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3h3u h LYS 24 CO -0.36 0.00 -0.02 1.04 -0.57 0.00 0.00 179.45 179.54 3h3u n GLN 25 N -4.25 1.20 -4.54 3.15 6.02 -0.80 -4.82 117.38 113.34 3h3u n GLN 25 Ca 0.10 -0.42 -0.33 0.00 -0.01 0.00 0.00 57.00 56.34 3h3u n GLN 25 Cb 0.63 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.27 3h3u n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3h3u s LEU 26 N -2.08 3.09 -0.14 1.08 1.43 -0.01 -5.11 118.68 116.94 3h3u s LEU 26 Ca 0.41 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3h3u s LEU 26 Cb 0.21 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3h3u s LEU 26 CO 0.37 0.20 -0.05 -1.58 0.23 0.00 0.00 176.35 175.53 3h3u s GLN 27 N 0.16 3.54 0.50 1.70 0.74 -1.26 -5.02 119.66 120.02 3h3u s GLN 27 Ca -0.03 -0.53 -0.23 0.00 0.05 0.00 0.00 55.36 54.62 3h3u s GLN 27 Cb -0.14 -2.86 -0.06 0.00 1.10 0.00 0.00 33.01 31.05 3h3u s GLN 27 CO 0.03 0.30 1.34 -2.14 -0.55 0.00 0.00 175.29 174.27 3h3u s PRO 28 N 0.19 3.42 0.08 1.67 0.02 -1.26 -4.66 135.00 134.46 3h3u s PRO 28 Ca -0.02 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.27 3h3u s PRO 28 Cb -0.14 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 3h3u s PRO 28 CO 0.03 -0.95 -0.20 0.08 -0.33 0.00 0.00 177.00 175.63 3h3u s VAL 29 N -1.32 2.67 -0.30 3.83 1.01 -0.40 -4.96 120.40 120.94 3h3u s VAL 29 Ca 0.67 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3h3u s VAL 29 Cb -0.39 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3h3u s VAL 29 CO 0.48 0.22 0.23 -1.81 0.00 0.00 0.00 175.10 174.21 3h3u s ASP 30 N -1.76 6.05 -0.16 3.32 1.01 -1.26 -2.01 116.67 121.86 3h3u s ASP 30 Ca 0.15 -0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.24 3h3u s ASP 30 Cb -0.10 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 3h3u s ASP 30 CO 0.07 -0.13 -0.05 -0.36 0.21 0.00 0.00 175.17 174.91 3h3u s PHE 31 N 1.78 2.98 0.78 4.23 0.40 0.25 -5.02 117.98 123.39 3h3u s PHE 31 Ca 0.07 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 3h3u s PHE 31 Cb -0.16 -1.97 0.06 0.00 0.51 0.00 0.00 43.02 41.46 3h3u s PHE 31 CO 0.11 -0.14 1.09 -2.14 0.70 0.00 0.00 175.22 174.84 3h3u s PRO 32 N 0.54 2.17 0.48 0.24 0.02 -1.26 -0.75 135.00 136.44 3h3u s PRO 32 Ca -0.04 1.01 -0.24 0.00 0.02 0.00 0.00 61.00 61.75 3h3u s PRO 32 Cb -0.15 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 3h3u s PRO 32 CO 0.03 -1.66 1.39 0.50 -0.33 0.00 0.00 177.00 176.94 3h3u s ARG 33 N -4.96 3.53 -0.97 5.54 3.52 -1.24 -2.73 118.95 121.64 3h3u s ARG 33 Ca 0.61 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.55 3h3u s ARG 33 Cb -0.16 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 3h3u s ARG 33 CO 0.56 -0.91 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 3h3u n GLY 34 N 0.63 1.07 3.77 8.12 0.00 -0.13 -4.97 105.19 113.67 3h3u n GLY 34 Ca 0.07 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3h3u n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h3u s HIS 35 N -2.26 3.67 -0.50 1.61 5.04 -1.11 -4.81 115.29 116.94 3h3u s HIS 35 Ca 0.00 1.14 -0.24 0.00 -1.54 0.00 0.00 55.06 54.43 3h3u s HIS 35 Cb 0.00 -2.56 0.04 0.00 0.04 0.00 0.00 32.58 30.09 3h3u s HIS 35 CO 0.00 0.37 0.87 0.99 -2.34 0.00 0.00 174.74 174.63 3h3u s THR 36 N -0.21 4.52 -0.02 0.89 2.01 -1.26 -1.03 115.64 120.53 3h3u s THR 36 Ca 0.30 0.33 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 3h3u s THR 36 Cb -0.18 -4.44 -0.20 0.00 0.01 0.00 0.00 72.50 67.70 3h3u s THR 36 CO 0.16 -0.93 1.21 0.58 -0.69 0.00 0.00 174.62 174.95 3h3u h VAL 37 N 6.01 1.27 -2.92 3.82 2.07 -1.28 -3.46 116.25 121.75 3h3u h VAL 37 Ca -0.25 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 3h3u h VAL 37 Cb 1.08 1.99 -0.22 0.00 -1.52 0.00 0.00 31.29 32.62 3h3u h VAL 37 CO 1.03 0.28 -0.27 0.72 0.02 0.00 0.00 177.57 179.35 3h3u s PHE 38 N -4.17 -0.29 0.28 1.57 -0.71 -1.16 -5.00 117.98 108.50 3h3u s PHE 38 Ca -0.15 0.61 0.08 0.00 -1.04 0.00 0.00 56.93 56.43 3h3u s PHE 38 Cb 0.01 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 3h3u s PHE 38 CO 0.64 -0.31 0.15 0.00 -1.34 0.00 0.00 175.22 174.36 3h3u s ALA 39 N -0.64 3.49 0.38 1.99 0.00 -1.26 -1.10 121.76 124.62 3h3u s ALA 39 Ca -0.07 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.04 3h3u s ALA 39 Cb -0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 23.12 21.92 3h3u s ALA 39 CO 0.03 0.19 1.42 -1.21 0.00 0.00 0.00 175.76 176.19 3h3u s GLU 40 N -3.82 4.07 0.00 0.00 2.02 -1.25 -2.68 118.70 117.05 3h3u s GLU 40 Ca 0.34 2.43 0.00 0.00 0.02 0.00 0.00 54.97 57.76 3h3u s GLU 40 Cb -0.06 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.25 3h3u s GLU 40 CO 0.23 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.42 3h3u n GLY 41 N 0.57 2.91 3.76 -1.39 0.00 0.29 -4.92 105.19 106.41 3h3u n GLY 41 Ca 0.02 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3h3u n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3u s GLU 42 N 0.00 3.41 0.25 1.61 2.02 -1.09 -4.28 118.70 120.61 3h3u s GLU 42 Ca 0.00 2.18 -0.31 0.00 0.02 0.00 0.00 54.97 56.85 3h3u s GLU 42 Cb 0.00 -2.39 -0.12 0.00 0.10 0.00 0.00 34.13 31.72 3h3u s GLU 42 CO 0.00 -0.96 1.64 -2.30 0.02 0.00 0.00 175.26 173.66 3h3u n PRO 43 N -0.70 2.66 -4.02 0.39 -0.02 -1.26 -1.13 135.00 130.91 3h3u n PRO 43 Ca 0.08 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 62.21 3h3u n PRO 43 Cb 0.45 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.02 3h3u n PRO 43 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h3u s GLY 44 N 0.79 1.22 0.00 -1.23 0.00 -0.16 -4.85 107.32 103.08 3h3u s GLY 44 Ca 0.70 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 44.40 3h3u s GLY 44 CO 0.41 0.59 0.94 2.09 0.00 0.00 0.00 173.10 177.13 3h3u n ASP 45 N 4.72 0.13 -3.88 1.64 5.75 -1.26 -1.65 116.55 121.99 3h3u n ASP 45 Ca -0.16 -1.80 -0.10 0.00 -0.01 0.00 0.00 54.79 52.72 3h3u n ASP 45 Cb 0.48 -0.14 -0.09 0.00 -1.03 0.00 0.00 41.12 40.35 3h3u n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h3u s ARG 46 N 0.00 0.64 0.12 0.11 1.70 -1.26 -2.26 118.95 118.00 3h3u s ARG 46 Ca 0.07 -0.66 0.09 0.00 -0.47 0.00 0.00 55.73 54.76 3h3u s ARG 46 Cb 0.08 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 3h3u s ARG 46 CO -0.04 -0.17 -0.15 -0.48 -1.08 0.00 0.00 175.30 173.38 3h3u s LEU 47 N -2.05 2.81 -0.04 -1.89 0.05 -0.55 -4.56 118.68 112.44 3h3u s LEU 47 Ca -0.06 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 53.64 3h3u s LEU 47 Cb -0.02 -1.62 -0.03 0.00 -2.05 0.00 0.00 46.19 42.47 3h3u s LEU 47 CO -0.04 0.17 -0.15 -0.31 -0.55 0.00 0.00 176.35 175.48 3h3u s TYR 48 N -1.22 2.69 -0.12 3.48 1.51 -0.24 -1.88 117.35 121.57 3h3u s TYR 48 Ca 0.19 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 3h3u s TYR 48 Cb -0.10 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 3h3u s TYR 48 CO 0.11 0.19 -0.16 0.42 -1.11 0.00 0.00 175.55 175.00 3h3u s ILE 49 N -0.75 2.76 0.11 2.71 1.01 0.41 -1.16 121.20 126.30 3h3u s ILE 49 Ca 0.12 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 3h3u s ILE 49 Cb -0.11 -2.13 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 3h3u s ILE 49 CO 0.01 0.54 0.78 -0.63 0.00 0.00 0.00 174.94 175.64 3h3u s ILE 50 N 0.31 4.54 -0.26 2.92 1.01 -0.44 -0.39 121.20 128.89 3h3u s ILE 50 Ca -0.13 1.69 -0.16 0.00 0.00 0.00 0.00 60.65 62.05 3h3u s ILE 50 Cb -0.16 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 38.03 3h3u s ILE 50 CO 0.07 0.44 -0.20 -0.38 0.00 0.00 0.00 174.94 174.87 3h3u n ILE 51 N 2.20 1.53 -3.83 2.92 5.41 -0.02 -0.10 119.36 127.48 3h3u n ILE 51 Ca -0.04 -0.29 -0.12 0.00 1.00 0.00 0.00 62.75 63.31 3h3u n ILE 51 Cb 0.49 -1.93 -0.10 0.00 -0.71 0.00 0.00 39.64 37.40 3h3u n ILE 51 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3h3u s SER 52 N -7.32 -0.07 0.00 4.38 1.04 -1.08 -4.54 113.70 106.11 3h3u s SER 52 Ca -0.36 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3h3u s SER 52 Cb 0.12 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3h3u s SER 52 CO 0.52 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.99 3h3u n GLY 53 N 1.58 1.56 3.29 7.32 0.00 -1.26 -1.01 105.19 116.68 3h3u n GLY 53 Ca -0.21 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.42 3h3u n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3u s LYS 54 N -1.82 2.07 -0.08 1.61 3.01 -1.26 -3.81 119.74 119.46 3h3u s LYS 54 Ca 0.00 -0.89 0.04 0.00 -1.01 0.00 0.00 55.97 54.10 3h3u s LYS 54 Cb 0.00 -1.97 0.00 0.00 -1.01 0.00 0.00 37.83 34.85 3h3u s LYS 54 CO 0.00 0.52 -0.20 0.08 0.51 0.00 0.00 175.35 176.26 3h3u s VAL 55 N -0.55 1.73 -0.09 3.17 1.01 0.18 -0.26 120.40 125.59 3h3u s VAL 55 Ca 0.08 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3h3u s VAL 55 Cb -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3h3u s VAL 55 CO -0.01 0.49 0.59 -0.75 0.00 0.00 0.00 175.10 175.42 3h3u s LYS 56 N 0.34 4.39 -0.18 2.72 2.20 0.31 -1.37 119.74 128.16 3h3u s LYS 56 Ca -0.14 0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 56.09 3h3u s LYS 56 Cb -0.16 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3h3u s LYS 56 CO 0.06 0.10 -0.01 0.42 -0.36 0.00 0.00 175.35 175.56 3h3u s ILE 57 N 0.75 3.94 0.19 5.43 -1.09 -0.88 -0.40 121.20 129.13 3h3u s ILE 57 Ca 0.32 -0.33 -0.16 0.00 -2.23 0.00 0.00 60.65 58.25 3h3u s ILE 57 Cb -0.16 -2.76 0.02 0.00 -1.58 0.00 0.00 42.46 37.98 3h3u s ILE 57 CO 0.14 0.46 0.48 -0.83 -1.23 0.00 0.00 174.94 173.96 3h3u s GLY 58 N 0.73 0.03 0.26 6.18 0.00 -0.53 -0.52 107.32 113.46 3h3u s GLY 58 Ca -0.01 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 44.42 3h3u s GLY 58 CO 0.02 -0.38 -0.10 1.09 0.00 0.00 0.00 173.10 173.73 3h3u s ARG 59 N -3.90 1.50 0.14 2.90 1.70 -1.15 -0.11 118.95 120.03 3h3u s ARG 59 Ca 0.11 -1.72 -0.30 0.00 -0.47 0.00 0.00 55.73 53.35 3h3u s ARG 59 Cb -0.00 -1.22 -0.07 0.00 -0.57 0.00 0.00 34.95 33.09 3h3u s ARG 59 CO -0.02 0.12 1.08 1.03 -1.08 0.00 0.00 175.30 176.43 3h3u s ARG 60 N -3.67 4.59 0.26 3.89 0.52 -1.26 -1.02 118.95 122.26 3h3u s ARG 60 Ca 0.27 1.66 0.04 0.00 -0.52 0.00 0.00 55.73 57.18 3h3u s ARG 60 Cb 0.01 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 3h3u s ARG 60 CO 0.11 0.06 0.39 0.00 0.02 0.00 0.00 175.30 175.88 3h3u s ALA 61 N 0.01 3.89 0.27 2.13 0.00 0.71 -4.89 121.76 123.88 3h3u s ALA 61 Ca 0.50 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3h3u s ALA 61 Cb -0.28 -1.80 0.59 0.00 0.00 0.00 0.00 23.12 21.63 3h3u s ALA 61 CO 0.33 0.20 1.76 -1.35 0.00 0.00 0.00 175.76 176.70 3h3u h PRO 62 N 1.11 0.64 0.00 0.00 0.11 -1.97 -0.14 132.00 131.75 3h3u h PRO 62 Ca -0.52 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3h3u h PRO 62 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h3u h PRO 62 CO 0.61 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 3h3u n ASP 63 N -4.85 0.18 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.44 3h3u n ASP 63 Ca 0.19 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.50 3h3u n ASP 63 Cb 0.47 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3h3u n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h3u n GLY 64 N 0.75 0.60 3.85 6.12 0.00 -0.06 -5.10 105.19 111.35 3h3u n GLY 64 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3h3u n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3u s ARG 65 N -0.65 3.27 -0.27 1.61 1.81 -1.26 -4.76 118.95 118.71 3h3u s ARG 65 Ca 0.00 0.77 -0.07 0.00 -1.72 0.00 0.00 55.73 54.71 3h3u s ARG 65 Cb 0.00 -2.04 -0.01 0.00 -0.45 0.00 0.00 34.95 32.44 3h3u s ARG 65 CO 0.00 -0.81 0.07 -1.21 -0.68 0.00 0.00 175.30 172.67 3h3u s GLU 66 N -5.16 3.43 -0.05 3.54 2.02 -1.26 -0.21 118.70 121.02 3h3u s GLU 66 Ca 0.56 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3h3u s GLU 66 Cb -0.12 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 3h3u s GLU 66 CO 0.54 -0.29 1.30 -0.80 0.02 0.00 0.00 175.26 176.04 3h3u s ASN 67 N 1.57 6.95 -0.57 -0.19 0.01 -0.19 -3.98 114.94 118.55 3h3u s ASN 67 Ca 0.05 1.93 -0.26 0.00 -0.71 0.00 0.00 52.86 53.86 3h3u s ASN 67 Cb -0.16 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 3h3u s ASN 67 CO 0.03 -0.67 2.05 -0.22 -1.51 0.00 0.00 177.10 176.77 3h3u s LEU 68 N 2.52 3.33 -0.06 0.60 2.96 -1.24 -2.95 118.68 123.84 3h3u s LEU 68 Ca 0.59 0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 54.97 3h3u s LEU 68 Cb -0.27 -2.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.80 3h3u s LEU 68 CO 0.23 -2.54 0.53 -0.07 -1.32 0.00 0.00 176.35 173.17 3h3u h LEU 69 N 17.48 -0.26 0.00 -0.68 3.38 -1.17 -3.49 115.31 130.56 3h3u h LEU 69 Ca -0.25 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.40 3h3u h LEU 69 Cb 1.20 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3h3u h LEU 69 CO 1.20 0.23 -0.03 1.07 0.09 0.00 0.00 178.44 181.01 3h3u n THR 70 N -4.98 0.00 -4.06 0.22 5.66 -1.07 -5.03 114.28 105.03 3h3u n THR 70 Ca -0.05 -1.55 -0.24 0.00 -3.05 0.00 0.00 64.05 59.16 3h3u n THR 70 Cb 0.18 1.06 -0.17 0.00 -1.55 0.00 0.00 70.33 69.85 3h3u n THR 70 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3h3u s ILE 71 N -2.61 0.75 -0.11 1.09 1.01 -1.26 -2.08 121.20 117.98 3h3u s ILE 71 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 3h3u s ILE 71 Cb -0.02 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 3h3u s ILE 71 CO 0.18 0.30 0.06 -0.04 0.00 0.00 0.00 174.94 175.44 3h3u s MET 72 N 1.38 3.23 0.00 2.79 -1.94 -0.47 -4.96 119.30 119.34 3h3u s MET 72 Ca -0.03 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 3h3u s MET 72 Cb -0.13 -2.97 0.00 0.00 2.01 0.00 0.00 34.83 33.73 3h3u s MET 72 CO -0.03 0.70 0.00 0.41 -0.01 0.00 0.00 175.02 176.08 3h3u n GLY 73 N 2.20 6.92 3.66 -0.03 0.00 -1.26 -0.65 105.19 116.03 3h3u n GLY 73 Ca -0.19 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 3h3u n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h3u n PRO 74 N 0.00 1.34 -0.01 1.61 -0.02 -1.25 -1.43 135.00 135.24 3h3u n PRO 74 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3h3u n PRO 74 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 3h3u n PRO 74 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3h3u n SER 75 N -0.48 0.00 -4.82 2.55 7.64 0.86 -4.93 113.62 114.44 3h3u n SER 75 Ca 0.11 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 3h3u n SER 75 Cb 0.44 -1.00 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 3h3u n SER 75 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3h3u s ASP 76 N -2.67 6.98 0.05 6.43 1.01 -0.51 -3.81 116.67 124.13 3h3u s ASP 76 Ca 0.00 1.69 0.02 0.00 0.71 0.00 0.00 52.55 54.97 3h3u s ASP 76 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3h3u s ASP 76 CO 0.00 -0.32 0.06 -0.04 0.21 0.00 0.00 175.17 175.08 3h3u s MET 77 N -3.05 2.89 -0.00 8.23 -1.94 -1.26 -1.33 119.30 122.84 3h3u s MET 77 Ca 0.60 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.94 3h3u s MET 77 Cb -0.10 -2.74 -0.00 0.00 2.01 0.00 0.00 34.83 34.00 3h3u s MET 77 CO 0.14 0.59 0.02 -0.59 -0.01 0.00 0.00 175.02 175.18 3h3u s PHE 78 N -1.29 0.03 0.00 -0.03 -0.71 -0.31 -4.83 117.98 110.84 3h3u s PHE 78 Ca 0.26 -0.05 0.00 0.00 -1.04 0.00 0.00 56.93 56.10 3h3u s PHE 78 Cb -0.12 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 3h3u s PHE 78 CO 0.18 -0.06 0.00 0.41 -1.34 0.00 0.00 175.22 174.41 3h3u n GLY 79 N 2.73 0.51 0.24 1.99 0.00 -1.26 -1.07 105.19 108.33 3h3u n GLY 79 Ca -0.15 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3h3u n GLY 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h3u h GLU 80 N 1.02 0.00 -0.26 1.61 9.09 -1.88 -2.68 114.58 121.48 3h3u h GLU 80 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 3h3u h GLU 80 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3h3u h GLU 80 CO 0.00 0.15 -0.25 -0.07 0.05 0.00 0.00 179.01 178.89 3h3u h LEU 81 N 0.00 0.50 -1.23 3.06 3.38 -1.92 -2.46 115.31 116.64 3h3u h LEU 81 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h3u h LEU 81 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h3u h LEU 81 CO 0.02 0.74 0.00 0.28 0.09 0.00 0.00 178.44 179.57 3h3u h SER 82 N 0.43 0.00 1.02 -0.43 0.02 -1.62 0.26 113.55 113.23 3h3u h SER 82 Ca 0.06 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3h3u h SER 82 Cb 0.68 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3h3u h SER 82 CO 0.05 0.00 -0.59 -0.29 -1.14 0.00 0.00 176.83 174.86 3h3u h ILE 83 N 0.00 1.16 0.00 3.27 6.09 -1.56 -1.96 117.51 124.52 3h3u h ILE 83 Ca 0.00 -2.25 -0.40 0.00 -1.37 0.00 0.00 64.86 60.84 3h3u h ILE 83 Cb 0.16 2.31 -0.07 0.00 0.47 0.00 0.00 36.82 39.69 3h3u h ILE 83 CO 0.00 0.58 -2.44 0.49 -3.07 0.00 0.00 178.15 173.72 3h3u n PHE 84 N -3.45 0.00 -3.85 2.19 3.01 -0.53 -4.71 117.46 110.12 3h3u n PHE 84 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 3h3u n PHE 84 Cb 0.69 -0.95 -0.12 0.00 -0.01 0.00 0.00 39.48 39.09 3h3u n PHE 84 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3h3u s ASP 85 N -6.77 4.44 1.18 4.37 2.15 0.79 -5.11 116.67 117.72 3h3u s ASP 85 Ca -0.35 -3.73 -0.15 0.00 0.43 0.00 0.00 52.55 48.75 3h3u s ASP 85 Cb 0.11 -1.50 0.28 0.00 -0.30 0.00 0.00 42.92 41.51 3h3u s ASP 85 CO 0.53 -0.10 1.03 -2.16 -0.17 0.00 0.00 175.17 174.30 3h3u s PRO 86 N -1.24 -1.04 0.00 4.34 0.04 -0.74 -4.09 135.00 132.28 3h3u s PRO 86 Ca 0.25 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.88 3h3u s PRO 86 Cb -0.05 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3h3u s PRO 86 CO -0.16 -3.74 0.00 0.41 0.04 0.00 0.00 177.00 173.55 3h3u n GLY 87 N 0.38 0.92 3.74 0.56 0.00 -0.66 -4.99 105.19 105.15 3h3u n GLY 87 Ca 0.05 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3h3u n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h3u n PRO 88 N -1.05 2.53 -2.53 1.61 -0.02 -1.26 -0.99 135.00 133.28 3h3u n PRO 88 Ca 0.00 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 3h3u n PRO 88 Cb 0.00 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 30.85 3h3u n PRO 88 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3h3u s ARG 89 N -1.51 4.50 0.09 -0.52 0.52 -0.29 -4.81 118.95 116.94 3h3u s ARG 89 Ca 0.58 1.64 0.26 0.00 -0.52 0.00 0.00 55.73 57.69 3h3u s ARG 89 Cb -0.51 -3.37 0.69 0.00 0.52 0.00 0.00 34.95 32.28 3h3u s ARG 89 CO 0.58 -0.14 1.59 0.25 0.02 0.00 0.00 175.30 177.61 3h3u n THR 90 N 3.69 0.26 -4.28 0.02 -2.24 -1.26 -0.55 114.28 109.91 3h3u n THR 90 Ca 0.07 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 3h3u n THR 90 Cb 0.48 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 3h3u n THR 90 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h3u s SER 91 N -3.77 1.02 0.15 3.42 1.04 -1.26 -4.84 113.70 109.45 3h3u s SER 91 Ca 0.10 -1.48 0.11 0.00 0.48 0.00 0.00 55.95 55.16 3h3u s SER 91 Cb 0.15 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3h3u s SER 91 CO 0.64 -0.85 -0.25 -0.94 0.98 0.00 0.00 173.24 172.83 3h3u s SER 92 N -3.29 3.41 -0.16 7.02 1.04 0.84 -3.76 113.70 118.80 3h3u s SER 92 Ca 0.38 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 56.05 3h3u s SER 92 Cb 0.06 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.94 3h3u s SER 92 CO 0.16 0.16 -0.19 0.00 0.98 0.00 0.00 173.24 174.34 3h3u s ALA 93 N -1.26 2.20 -0.04 5.32 0.00 -0.26 -1.45 121.76 126.28 3h3u s ALA 93 Ca 0.16 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3h3u s ALA 93 Cb -0.09 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3h3u s ALA 93 CO 0.08 -0.24 -0.07 0.99 0.00 0.00 0.00 175.76 176.52 3h3u s THR 94 N 1.16 0.66 0.12 0.00 2.01 0.46 -0.67 115.64 119.38 3h3u s THR 94 Ca 0.01 -0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.46 3h3u s THR 94 Cb -0.14 -0.63 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 3h3u s THR 94 CO -0.09 0.23 1.37 0.42 -0.69 0.00 0.00 174.62 175.87 3h3u s THR 95 N 0.59 3.33 -0.05 -0.82 -4.23 -0.20 0.12 115.64 114.38 3h3u s THR 95 Ca -0.09 0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 61.32 3h3u s THR 95 Cb -0.12 -3.62 -0.29 0.00 1.34 0.00 0.00 72.50 69.81 3h3u s THR 95 CO 0.01 0.08 0.64 0.40 -0.54 0.00 0.00 174.62 175.21 3h3u h ILE 96 N 4.21 0.91 -3.71 2.99 2.04 -0.96 -0.33 117.51 122.65 3h3u h ILE 96 Ca -0.42 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 62.90 3h3u h ILE 96 Cb 1.21 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 3h3u h ILE 96 CO 0.85 0.84 0.00 0.35 0.00 0.00 0.00 178.15 180.19 3h3u n THR 97 N -3.51 0.00 -2.50 -0.27 -2.24 -1.16 -4.39 114.28 100.22 3h3u n THR 97 Ca -0.24 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3h3u n THR 97 Cb 1.06 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 3h3u n THR 97 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h3u s GLU 98 N -1.10 4.48 0.03 -0.78 8.01 -1.26 -3.58 118.70 124.49 3h3u s GLU 98 Ca 0.00 1.69 0.08 0.00 0.01 0.00 0.00 54.97 56.75 3h3u s GLU 98 Cb 0.00 -3.36 -0.02 0.00 -4.31 0.00 0.00 34.13 26.43 3h3u s GLU 98 CO 0.00 -0.17 -0.24 0.08 0.01 0.00 0.00 175.26 174.94 3h3u s VAL 99 N 0.88 1.97 -0.17 2.63 1.01 0.07 -4.05 120.40 122.74 3h3u s VAL 99 Ca 0.56 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3h3u s VAL 99 Cb -0.28 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3h3u s VAL 99 CO 0.30 0.38 -0.11 -0.13 0.00 0.00 0.00 175.10 175.53 3h3u s ARG 100 N -1.03 3.31 0.01 2.72 0.52 -0.18 -0.58 118.95 123.73 3h3u s ARG 100 Ca 0.10 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.61 3h3u s ARG 100 Cb -0.10 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 3h3u s ARG 100 CO 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 175.30 175.33 3h3u s ALA 101 N 0.89 0.05 -0.08 2.13 0.00 -0.85 -0.84 121.76 123.06 3h3u s ALA 101 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3h3u s ALA 101 Cb -0.15 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3h3u s ALA 101 CO -0.00 -0.13 0.17 0.08 0.00 0.00 0.00 175.76 175.88 3h3u s VAL 102 N -1.10 5.47 0.26 0.00 1.01 0.48 -1.28 120.40 125.23 3h3u s VAL 102 Ca -0.12 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3h3u s VAL 102 Cb -0.07 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3h3u s VAL 102 CO -0.01 0.54 -0.19 -0.55 0.00 0.00 0.00 175.10 174.90 3h3u s SER 103 N -1.27 3.31 -0.28 3.32 0.15 -1.26 -0.44 113.70 117.23 3h3u s SER 103 Ca 0.19 -1.02 -0.16 0.00 0.70 0.00 0.00 55.95 55.66 3h3u s SER 103 Cb -0.12 -0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.02 3h3u s SER 103 CO 0.08 -0.01 0.72 0.00 1.20 0.00 0.00 173.24 175.23 3h3u s MET 104 N -3.50 0.68 0.62 5.44 0.23 -0.79 -4.87 119.30 117.12 3h3u s MET 104 Ca 0.28 1.17 0.07 0.00 -1.03 0.00 0.00 55.69 56.17 3h3u s MET 104 Cb -0.04 0.14 0.10 0.00 -1.53 0.00 0.00 34.83 33.50 3h3u s MET 104 CO 0.13 -0.14 0.86 0.16 -2.03 0.00 0.00 175.02 173.99 3h3u s ASP 105 N 1.56 4.85 0.27 -1.18 3.84 -1.26 -1.49 116.67 123.26 3h3u s ASP 105 Ca -0.10 -0.71 -0.03 0.00 -0.00 0.00 0.00 52.55 51.71 3h3u s ASP 105 Cb -0.05 0.23 0.39 0.00 -1.38 0.00 0.00 42.92 42.11 3h3u s ASP 105 CO -0.19 -1.52 1.90 0.03 -0.00 0.00 0.00 175.17 175.39 3h3u h ARG 106 N -0.05 1.17 -0.28 2.11 3.08 -1.77 -1.64 114.38 117.00 3h3u h ARG 106 Ca -0.32 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 59.71 3h3u h ARG 106 Cb 1.28 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 3h3u h ARG 106 CO 0.40 0.77 0.01 -0.44 -1.07 0.00 0.00 179.97 179.65 3h3u h ASP 107 N 1.20 -0.08 -0.26 7.04 3.45 -1.95 0.38 116.42 126.20 3h3u h ASP 107 Ca 0.41 0.06 0.04 0.00 0.43 0.00 0.00 57.03 57.97 3h3u h ASP 107 Cb 0.10 0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 3h3u h ASP 107 CO -0.15 -0.01 0.02 0.00 -1.57 0.00 0.00 179.24 177.54 3h3u h ALA 108 N 1.24 0.25 0.27 3.45 0.00 -1.74 0.13 119.26 122.86 3h3u h ALA 108 Ca 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3h3u h ALA 108 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h3u h ALA 108 CO -0.22 -0.40 -0.13 1.25 0.00 0.00 0.00 179.25 179.76 3h3u h LEU 109 N 0.11 -0.31 -0.93 0.00 5.85 -0.77 -0.33 115.31 118.94 3h3u h LEU 109 Ca 0.12 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3h3u h LEU 109 Cb 0.14 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3h3u h LEU 109 CO -0.18 -0.14 0.60 0.03 -0.34 0.00 0.00 178.44 178.41 3h3u h ARG 110 N -0.45 1.14 0.00 1.25 3.08 -0.13 0.42 114.38 119.69 3h3u h ARG 110 Ca -0.04 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3h3u h ARG 110 Cb 0.34 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3h3u h ARG 110 CO 0.06 0.75 -0.22 1.03 -1.07 0.00 0.00 179.97 180.53 3h3u h SER 111 N 1.17 0.00 -0.01 7.04 0.87 -0.49 0.32 113.55 122.45 3h3u h SER 111 Ca 0.37 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.84 3h3u h SER 111 Cb -0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3h3u h SER 111 CO -0.12 0.22 -0.34 -0.25 -0.53 0.00 0.00 176.83 175.81 3h3u h TRP 112 N 0.00 0.36 0.00 2.24 7.01 0.61 -3.24 115.95 122.94 3h3u h TRP 112 Ca -0.00 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 60.81 3h3u h TRP 112 Cb 0.41 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 3h3u h TRP 112 CO 0.00 0.98 -0.20 0.44 -2.79 0.00 0.00 178.44 176.87 3h3u n ILE 113 N -4.43 0.01 -0.32 2.65 -5.35 -0.03 -3.75 119.36 108.14 3h3u n ILE 113 Ca -0.10 -0.01 0.11 0.00 -0.27 0.00 0.00 62.75 62.49 3h3u n ILE 113 Cb 0.54 -0.21 0.32 0.00 -1.74 0.00 0.00 39.64 38.56 3h3u n ILE 113 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h3u h ALA 114 N 2.99 1.71 -0.02 -1.28 0.00 -0.37 -1.51 119.26 120.78 3h3u h ALA 114 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h3u h ALA 114 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h3u h ALA 114 CO 0.00 0.01 -0.15 -0.25 0.00 0.00 0.00 179.25 178.86 3h3u n ASP 115 N -4.63 2.12 -3.39 0.00 10.43 -1.25 -4.79 116.55 115.05 3h3u n ASP 115 Ca 0.20 -1.56 -0.26 0.00 2.57 0.00 0.00 54.79 55.74 3h3u n ASP 115 Cb 0.47 0.20 -0.09 0.00 1.84 0.00 0.00 41.12 43.55 3h3u n ASP 115 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3h3u n ARG 116 N 0.52 1.23 0.22 -1.24 1.74 -0.57 -4.93 116.66 113.63 3h3u n ARG 116 Ca 0.09 -3.76 0.16 0.00 -0.77 0.00 0.00 57.85 53.57 3h3u n ARG 116 Cb 0.40 -1.72 0.82 0.00 -1.02 0.00 0.00 32.46 30.94 3h3u n ARG 116 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3h3u h PRO 117 N 4.57 0.00 -0.11 5.56 0.11 -1.87 -1.30 132.00 138.96 3h3u h PRO 117 Ca 0.16 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 3h3u h PRO 117 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3h3u h PRO 117 CO 0.58 0.00 0.07 0.93 -0.21 0.00 0.00 178.00 179.37 3h3u h GLU 118 N 0.00 0.10 -0.02 1.05 3.07 -1.91 -2.76 114.58 114.10 3h3u h GLU 118 Ca 0.07 -0.01 -0.23 0.00 -0.50 0.00 0.00 59.36 58.70 3h3u h GLU 118 Cb 0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3h3u h GLU 118 CO -0.00 0.07 -0.92 0.82 -1.40 0.00 0.00 179.01 177.57 3h3u h ILE 119 N 0.10 1.37 -0.40 3.13 2.04 -1.61 -2.84 117.51 119.30 3h3u h ILE 119 Ca 0.04 -2.35 0.04 0.00 1.00 0.00 0.00 64.86 63.59 3h3u h ILE 119 Cb 0.05 2.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3h3u h ILE 119 CO -0.01 0.71 0.18 0.28 0.00 0.00 0.00 178.15 179.31 3h3u h SER 120 N 0.28 0.24 -0.66 1.72 0.02 -1.60 0.59 113.55 114.14 3h3u h SER 120 Ca -0.08 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3h3u h SER 120 Cb 1.55 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.05 3h3u h SER 120 CO 0.16 0.18 0.31 -0.08 -1.14 0.00 0.00 176.83 176.27 3h3u h GLU 121 N 0.37 0.96 -0.18 3.45 4.81 -1.54 -1.19 114.58 121.26 3h3u h GLU 121 Ca 0.17 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 3h3u h GLU 121 Cb 0.11 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3h3u h GLU 121 CO -0.14 0.77 -0.49 0.37 -0.73 0.00 0.00 179.01 178.79 3h3u h GLN 122 N 0.92 0.48 -0.58 1.92 5.75 -1.24 -1.86 115.11 120.50 3h3u h GLN 122 Ca 0.23 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3h3u h GLN 122 Cb 0.13 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3h3u h GLN 122 CO -0.03 0.86 0.20 -0.07 -2.65 0.00 0.00 178.83 177.14 3h3u h LEU 123 N 0.38 0.82 -0.54 -2.39 3.38 -0.41 0.69 115.31 117.23 3h3u h LEU 123 Ca 0.02 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3h3u h LEU 123 Cb 0.99 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3h3u h LEU 123 CO 0.09 0.79 0.33 -0.07 0.09 0.00 0.00 178.44 179.67 3h3u h LEU 124 N 0.80 0.54 -0.09 1.67 3.38 -1.09 0.11 115.31 120.64 3h3u h LEU 124 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3h3u h LEU 124 Cb 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h3u h LEU 124 CO -0.01 0.38 0.06 0.03 0.09 0.00 0.00 178.44 178.99 3h3u h ARG 125 N 0.66 0.11 -0.29 1.13 3.08 -0.75 0.12 114.38 118.44 3h3u h ARG 125 Ca 0.21 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 3h3u h ARG 125 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3h3u h ARG 125 CO -0.09 0.07 -0.14 0.28 -1.07 0.00 0.00 179.97 179.02 3h3u h VAL 126 N 0.12 1.30 -0.54 2.04 2.07 -0.74 -0.31 116.25 120.18 3h3u h VAL 126 Ca 0.03 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3h3u h VAL 126 Cb -0.01 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3h3u h VAL 126 CO -0.01 0.39 0.12 0.25 0.02 0.00 0.00 177.57 178.35 3h3u h LEU 127 N 0.35 0.82 -0.66 2.57 5.85 -0.74 -0.77 115.31 122.73 3h3u h LEU 127 Ca 0.06 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 3h3u h LEU 127 Cb 0.66 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3h3u h LEU 127 CO 0.04 0.85 -0.48 0.00 -0.34 0.00 0.00 178.44 178.52 3h3u h ALA 128 N 1.00 0.83 -0.08 1.25 0.00 -0.68 -1.49 119.26 120.10 3h3u h ALA 128 Ca 0.17 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3h3u h ALA 128 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h3u h ALA 128 CO 0.00 0.66 -0.47 -0.09 0.00 0.00 0.00 179.25 179.36 3h3u h ARG 129 N 0.38 0.19 -0.06 0.00 2.43 -0.92 -2.66 114.38 113.73 3h3u h ARG 129 Ca 0.02 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 3h3u h ARG 129 Cb 0.98 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 3h3u h ARG 129 CO 0.09 0.62 -0.54 -0.09 -1.51 0.00 0.00 179.97 178.54 3h3u h ARG 130 N 0.15 0.17 -0.18 0.20 2.43 -0.78 -2.58 114.38 113.80 3h3u h ARG 130 Ca 0.01 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 3h3u h ARG 130 Cb 0.88 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3h3u h ARG 130 CO 0.07 0.67 -0.38 1.25 -1.51 0.00 0.00 179.97 180.06 3h3u h LEU 131 N 0.14 0.40 -0.54 3.80 5.85 -0.99 -1.32 115.31 122.66 3h3u h LEU 131 Ca 0.00 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.39 3h3u h LEU 131 Cb 0.99 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3h3u h LEU 131 CO 0.08 0.75 -0.61 0.03 -0.34 0.00 0.00 178.44 178.35 3h3u h ARG 132 N 0.33 0.41 -0.35 1.25 3.08 -1.27 0.49 114.38 118.31 3h3u h ARG 132 Ca 0.03 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 3h3u h ARG 132 Cb 0.82 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3h3u h ARG 132 CO 0.07 0.90 -0.31 0.00 -1.07 0.00 0.00 179.97 179.55 3h3u h ARG 133 N 0.30 0.83 -0.04 0.04 3.08 -1.29 -2.90 114.38 114.41 3h3u h ARG 133 Ca -0.01 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 3h3u h ARG 133 Cb 1.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3h3u h ARG 133 CO 0.11 1.06 -0.52 1.15 -1.07 0.00 0.00 179.97 180.70 3h3u h THR 134 N 0.62 1.36 0.67 2.04 2.02 -1.16 -2.12 112.91 116.36 3h3u h THR 134 Ca 0.06 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 3h3u h THR 134 Cb 0.89 1.91 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3h3u h THR 134 CO 0.08 0.52 -0.32 0.78 0.37 0.00 0.00 175.52 176.94 3h3u h ASN 135 N 0.08 -0.77 0.79 4.18 2.35 -0.81 -1.60 115.58 119.81 3h3u h ASN 135 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h3u h ASN 135 Cb 0.94 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3h3u h ASN 135 CO 0.07 -0.47 0.00 -0.46 -1.65 0.00 0.00 177.43 174.92 3h3u n ASN 136 N -5.43 0.04 -0.03 5.81 0.23 -1.10 -1.15 115.26 113.62 3h3u n ASN 136 Ca -0.13 0.51 -0.13 0.00 -0.53 0.00 0.00 54.58 54.30 3h3u n ASN 136 Cb 0.38 -0.52 -0.09 0.00 -2.08 0.00 0.00 39.78 37.48 3h3u n ASN 136 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 3h3u h ASN 137 N 0.00 0.19 -0.34 0.53 -0.73 -1.22 -0.92 115.58 113.09 3h3u h ASN 137 Ca 0.00 -0.50 0.01 0.00 1.87 0.00 0.00 56.30 57.69 3h3u h ASN 137 Cb 0.40 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 3h3u h ASN 137 CO 0.00 0.65 0.19 0.25 -0.37 0.00 0.00 177.43 178.15 3h3u h LEU 138 N -0.26 0.31 -0.17 0.34 5.85 -0.78 -1.16 115.31 119.43 3h3u h LEU 138 Ca 0.01 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3h3u h LEU 138 Cb 0.60 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3h3u h LEU 138 CO 0.02 0.23 -0.14 0.00 -0.34 0.00 0.00 178.44 178.21 3h3u h ALA 139 N 1.15 -0.02 -0.75 1.25 0.00 -1.12 0.31 119.26 120.08 3h3u h ALA 139 Ca 0.13 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3h3u h ALA 139 Cb 0.01 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3h3u h ALA 139 CO -0.07 -0.58 0.45 0.22 0.00 0.00 0.00 179.25 179.28 3h3u h ASP 140 N -0.15 0.71 0.06 0.00 -0.00 -0.98 -2.81 116.42 113.25 3h3u h ASP 140 Ca 0.11 0.01 -0.15 0.00 -0.00 0.00 0.00 57.03 57.00 3h3u h ASP 140 Cb 0.31 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.50 3h3u h ASP 140 CO -0.26 0.47 -0.53 0.25 -0.00 0.00 0.00 179.24 179.17 3h3u h LEU 141 N 0.85 0.57 -0.48 2.28 5.85 -0.29 -3.15 115.31 120.94 3h3u h LEU 141 Ca 0.32 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3h3u h LEU 141 Cb 0.12 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3h3u h LEU 141 CO -0.15 0.99 0.28 0.40 -0.34 0.00 0.00 178.44 179.61 3h3u h ILE 142 N 0.40 1.03 -0.85 4.05 2.04 -0.17 -3.03 117.51 120.98 3h3u h ILE 142 Ca 0.01 -0.19 -0.58 0.00 1.00 0.00 0.00 64.86 65.10 3h3u h ILE 142 Cb 1.06 0.43 -0.12 0.00 -0.74 0.00 0.00 36.82 37.45 3h3u h ILE 142 CO 0.10 0.10 1.50 0.49 0.00 0.00 0.00 178.15 180.34 3h3u n PHE 143 N -4.83 1.90 -3.65 1.37 3.01 -1.13 -4.81 117.46 109.31 3h3u n PHE 143 Ca 0.03 -2.37 -0.14 0.00 1.01 0.00 0.00 57.45 55.98 3h3u n PHE 143 Cb 0.08 -1.71 -0.07 0.00 -0.01 0.00 0.00 39.48 37.77 3h3u n PHE 143 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3h3u s THR 144 N -0.93 0.04 1.12 4.37 2.01 -1.15 -5.02 115.64 116.09 3h3u s THR 144 Ca 0.59 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.09 3h3u s THR 144 Cb 0.27 -0.86 0.25 0.00 0.01 0.00 0.00 72.50 72.17 3h3u s THR 144 CO -0.13 -0.19 1.11 1.51 -0.69 0.00 0.00 174.62 176.23 3h3u s ASP 145 N -1.63 1.64 0.09 3.53 -4.77 -1.26 -4.75 116.67 109.53 3h3u s ASP 145 Ca -0.09 0.84 -0.25 0.00 -3.30 0.00 0.00 52.55 49.75 3h3u s ASP 145 Cb -0.02 -1.26 -0.15 0.00 -1.09 0.00 0.00 42.92 40.40 3h3u s ASP 145 CO 0.02 -3.70 1.70 0.58 0.70 0.00 0.00 175.17 174.48 3h3u h VAL 146 N -2.29 0.79 -0.59 2.11 2.07 -1.98 -1.42 116.25 114.94 3h3u h VAL 146 Ca -0.49 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3h3u h VAL 146 Cb 1.31 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3h3u h VAL 146 CO 0.44 0.00 0.09 -0.65 0.02 0.00 0.00 177.57 177.48 3h3u h PRO 147 N -0.25 0.96 -0.21 1.57 0.11 -2.01 -2.80 132.00 129.37 3h3u h PRO 147 Ca -0.01 -0.24 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3h3u h PRO 147 Cb 0.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3h3u h PRO 147 CO 0.01 0.89 0.07 0.78 -0.21 0.00 0.00 178.00 179.54 3h3u h GLY 148 N 1.02 0.31 0.66 -0.55 0.00 -1.86 -1.25 103.07 101.40 3h3u h GLY 148 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3h3u h GLY 148 CO 0.01 0.13 -0.03 3.21 0.00 0.00 0.00 176.54 179.86 3h3u h ARG 149 N 0.29 -0.08 -0.72 4.80 3.08 -0.99 -2.00 114.38 118.76 3h3u h ARG 149 Ca 0.07 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3h3u h ARG 149 Cb 0.08 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3h3u h ARG 149 CO -0.01 0.26 0.35 0.28 -1.07 0.00 0.00 179.97 179.78 3h3u h VAL 150 N -0.42 1.23 -0.10 2.04 2.07 -1.42 -1.74 116.25 117.90 3h3u h VAL 150 Ca -0.01 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3h3u h VAL 150 Cb 0.37 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3h3u h VAL 150 CO 0.01 0.27 0.06 0.00 0.02 0.00 0.00 177.57 177.93 3h3u h ALA 151 N 1.36 0.13 -0.56 1.67 0.00 -1.21 -1.57 119.26 119.08 3h3u h ALA 151 Ca 0.25 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3h3u h ALA 151 Cb 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3h3u h ALA 151 CO -0.03 -0.33 0.27 0.87 0.00 0.00 0.00 179.25 180.03 3h3u h LYS 152 N 0.08 0.50 -0.11 0.00 1.57 -1.02 0.23 116.57 117.82 3h3u h LYS 152 Ca 0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3h3u h LYS 152 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3h3u h LYS 152 CO -0.01 0.33 0.01 0.37 -0.57 0.00 0.00 179.45 179.58 3h3u h GLN 153 N 0.51 0.05 -0.40 3.15 4.15 -1.08 -1.44 115.11 120.06 3h3u h GLN 153 Ca 0.26 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 3h3u h GLN 153 Cb 0.20 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3h3u h GLN 153 CO -0.20 0.03 0.04 -0.07 -1.93 0.00 0.00 178.83 176.70 3h3u h LEU 154 N 0.05 0.57 -0.63 -2.39 3.38 -0.94 -2.60 115.31 112.75 3h3u h LEU 154 Ca 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3h3u h LEU 154 Cb 0.05 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3h3u h LEU 154 CO -0.08 0.62 0.26 0.25 0.09 0.00 0.00 178.44 179.58 3h3u h LEU 155 N 0.59 0.86 -1.05 1.67 5.85 -0.47 -1.39 115.31 121.36 3h3u h LEU 155 Ca 0.13 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3h3u h LEU 155 Cb 0.32 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3h3u h LEU 155 CO 0.01 0.78 0.22 1.56 -0.34 0.00 0.00 178.44 180.67 3h3u h GLN 156 N 0.87 0.90 -0.57 1.25 4.20 -0.94 -0.35 115.11 120.47 3h3u h GLN 156 Ca 0.21 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 3h3u h GLN 156 Cb 0.19 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3h3u h GLN 156 CO -0.02 0.75 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.77 3h3u h LEU 157 N 0.88 1.01 -0.39 1.46 3.38 -1.13 -2.48 115.31 118.05 3h3u h LEU 157 Ca 0.20 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3h3u h LEU 157 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h3u h LEU 157 CO -0.01 1.09 0.18 0.00 0.09 0.00 0.00 178.44 179.78 3h3u h ALA 158 N 1.00 0.50 0.00 1.53 0.00 -0.71 -1.78 119.26 119.80 3h3u h ALA 158 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h3u h ALA 158 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h3u h ALA 158 CO 0.04 0.07 0.00 1.96 0.00 0.00 0.00 179.25 181.32 3h3u h GLN 159 N 0.49 0.00 0.03 0.00 4.20 -0.91 0.18 115.11 119.10 3h3u h GLN 159 Ca 0.13 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.48 3h3u h GLN 159 Cb 0.14 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 3h3u h GLN 159 CO -0.02 0.00 -2.17 0.54 -0.67 0.00 0.00 178.83 176.51 3h3u n ARG 160 N -3.07 0.69 -0.12 1.46 1.74 -0.95 -4.47 116.66 111.94 3h3u n ARG 160 Ca -0.02 0.17 0.04 0.00 -0.77 0.00 0.00 57.85 57.28 3h3u n ARG 160 Cb 0.15 -1.63 0.10 0.00 -1.02 0.00 0.00 32.46 30.07 3h3u n ARG 160 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h3u n PHE 161 N -3.16 0.31 -4.12 -1.55 3.01 -0.70 -5.01 117.46 106.24 3h3u n PHE 161 Ca -0.33 -0.47 -0.31 0.00 1.01 0.00 0.00 57.45 57.34 3h3u n PHE 161 Cb 1.06 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 40.42 3h3u n PHE 161 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3h3u s GLY 162 N -0.98 1.96 -0.05 1.37 0.00 0.63 -4.63 107.32 105.62 3h3u s GLY 162 Ca 0.16 -1.02 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 3h3u s GLY 162 CO 0.11 -0.98 0.35 -1.59 0.00 0.00 0.00 173.10 170.99 3h3u s THR 163 N -1.30 5.16 -0.20 0.90 2.01 0.07 -4.82 115.64 117.46 3h3u s THR 163 Ca 0.26 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 3h3u s THR 163 Cb -0.12 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3h3u s THR 163 CO 0.18 0.55 1.55 -1.10 -0.69 0.00 0.00 174.62 175.12 3h3u s GLN 164 N -0.81 3.90 -0.56 4.92 -0.21 -1.26 -1.11 119.66 124.53 3h3u s GLN 164 Ca 0.21 1.69 0.04 0.00 0.02 0.00 0.00 55.36 57.33 3h3u s GLN 164 Cb -0.15 -3.99 0.17 0.00 1.00 0.00 0.00 33.01 30.04 3h3u s GLN 164 CO 0.10 -1.16 0.41 -2.00 -2.12 0.00 0.00 175.29 170.52 3h3u s GLU 165 N 4.42 1.70 -0.62 2.91 2.12 0.16 -4.94 118.70 124.46 3h3u s GLU 165 Ca 0.68 -2.71 -0.05 0.00 0.36 0.00 0.00 54.97 53.25 3h3u s GLU 165 Cb -0.25 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.68 3h3u s GLU 165 CO 0.27 -1.32 0.65 0.41 -0.54 0.00 0.00 175.26 174.73 3h3u n GLY 166 N 2.47 -1.24 3.26 -1.50 0.00 -1.26 -3.11 105.19 103.81 3h3u n GLY 166 Ca 0.23 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.97 3h3u n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3u n GLY 167 N -1.25 0.16 3.45 -0.02 0.00 -1.26 -4.94 105.19 101.34 3h3u n GLY 167 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3h3u n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3u s ALA 168 N -1.44 2.41 -0.18 4.61 0.00 -1.18 -4.86 121.76 121.11 3h3u s ALA 168 Ca 0.00 -1.98 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 3h3u s ALA 168 Cb 0.00 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.80 3h3u s ALA 168 CO 0.00 -0.31 -0.14 -0.51 0.00 0.00 0.00 175.76 174.80 3h3u s LEU 169 N -3.50 2.45 -0.26 0.00 1.43 0.17 -0.66 118.68 118.30 3h3u s LEU 169 Ca 0.35 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3h3u s LEU 169 Cb 0.08 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3h3u s LEU 169 CO 0.15 0.02 0.19 -0.60 0.23 0.00 0.00 176.35 176.34 3h3u s ARG 170 N 1.20 4.01 -0.33 1.70 3.52 -0.27 -0.00 118.95 128.78 3h3u s ARG 170 Ca 0.02 -0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3h3u s ARG 170 Cb -0.14 -3.61 0.07 0.00 -1.56 0.00 0.00 34.95 29.71 3h3u s ARG 170 CO -0.06 -0.09 0.06 0.08 -0.81 0.00 0.00 175.30 174.48 3h3u s VAL 171 N 1.49 2.95 -0.14 7.11 1.01 -0.37 -0.75 120.40 131.70 3h3u s VAL 171 Ca 0.08 -1.69 -0.16 0.00 0.00 0.00 0.00 61.98 60.22 3h3u s VAL 171 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3h3u s VAL 171 CO 0.08 -0.32 0.37 -0.89 0.00 0.00 0.00 175.10 174.35 3h3u s THR 172 N 1.18 5.25 0.32 3.92 2.01 -1.26 -1.64 115.64 125.41 3h3u s THR 172 Ca 0.00 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.76 3h3u s THR 172 Cb -0.21 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 3h3u s THR 172 CO -0.03 0.37 0.03 -1.38 -0.69 0.00 0.00 174.62 172.93 3h3u s HIS 173 N 0.47 1.97 -0.42 4.92 -3.43 0.21 -4.99 115.29 114.02 3h3u s HIS 173 Ca 0.20 -0.90 0.10 0.00 -0.80 0.00 0.00 55.06 53.67 3h3u s HIS 173 Cb -0.14 -1.27 0.41 0.00 -1.43 0.00 0.00 32.58 30.15 3h3u s HIS 173 CO 0.07 0.07 0.96 -3.47 -2.00 0.00 0.00 174.74 170.37 3h3u n ASP 174 N -0.67 2.98 -4.38 7.38 2.03 -1.26 -4.72 116.55 117.91 3h3u n ASP 174 Ca -0.03 -3.28 -0.31 0.00 0.52 0.00 0.00 54.79 51.70 3h3u n ASP 174 Cb 0.66 -0.53 -0.14 0.00 -0.72 0.00 0.00 41.12 40.39 3h3u n ASP 174 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h3u s LEU 175 N -3.20 2.30 0.66 -2.67 1.43 -1.26 -5.11 118.68 110.82 3h3u s LEU 175 Ca 0.40 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3h3u s LEU 175 Cb 0.39 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 3h3u s LEU 175 CO -0.09 0.27 1.05 0.42 0.23 0.00 0.00 176.35 178.24 3h3u s THR 176 N -0.81 4.05 0.49 5.49 -4.23 -1.26 -4.88 115.64 114.50 3h3u s THR 176 Ca 0.12 0.63 0.17 0.00 -1.18 0.00 0.00 61.69 61.43 3h3u s THR 176 Cb -0.10 -3.65 0.32 0.00 1.34 0.00 0.00 72.50 70.40 3h3u s THR 176 CO 0.02 -0.85 2.06 1.56 -0.54 0.00 0.00 174.62 176.88 3h3u h GLN 177 N -0.47 0.14 -0.04 3.99 1.08 -2.00 -0.32 115.11 117.49 3h3u h GLN 177 Ca -0.45 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 56.57 3h3u h GLN 177 Cb 1.23 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 3h3u h GLN 177 CO 0.63 0.09 -0.74 0.93 -0.95 0.00 0.00 178.83 178.79 3h3u h GLU 178 N 0.14 0.23 -0.23 1.46 5.08 -2.00 -2.88 114.58 116.39 3h3u h GLU 178 Ca 0.14 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3h3u h GLU 178 Cb 0.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3h3u h GLU 178 CO -0.02 0.87 -0.35 0.93 -1.00 0.00 0.00 179.01 179.45 3h3u h GLU 179 N 0.15 0.50 -0.19 2.33 5.08 -1.45 -1.73 114.58 119.27 3h3u h GLU 179 Ca -0.03 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3h3u h GLU 179 Cb 1.31 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3h3u h GLU 179 CO 0.12 0.78 -0.27 0.82 -1.00 0.00 0.00 179.01 179.46 3h3u h ILE 180 N 0.42 1.26 -0.27 3.13 2.04 -1.34 -0.17 117.51 122.59 3h3u h ILE 180 Ca 0.05 -1.23 -0.16 0.00 1.00 0.00 0.00 64.86 64.51 3h3u h ILE 180 Cb 0.81 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3h3u h ILE 180 CO 0.07 0.38 -0.49 0.00 0.00 0.00 0.00 178.15 178.11 3h3u h ALA 181 N 1.40 0.62 -0.01 1.87 0.00 -1.26 -2.61 119.26 119.27 3h3u h ALA 181 Ca 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3h3u h ALA 181 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h3u h ALA 181 CO 0.05 0.68 -0.47 1.96 0.00 0.00 0.00 179.25 181.47 3h3u h GLN 182 N 0.58 0.03 -0.17 0.00 4.20 -1.00 -2.29 115.11 116.46 3h3u h GLN 182 Ca 0.03 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3h3u h GLN 182 Cb 1.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3h3u h GLN 182 CO 0.10 0.49 -0.12 1.25 -0.67 0.00 0.00 178.83 179.88 3h3u h LEU 183 N 0.02 0.41 -0.36 1.46 5.85 -0.79 -3.24 115.31 118.66 3h3u h LEU 183 Ca -0.00 -0.44 -0.19 0.00 0.84 0.00 0.00 57.88 58.09 3h3u h LEU 183 Cb 0.84 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3h3u h LEU 183 CO 0.06 0.77 -0.82 0.58 -0.34 0.00 0.00 178.44 178.69 3h3u h VAL 184 N 0.05 1.46 -0.42 1.05 2.07 -1.49 -3.40 116.25 115.58 3h3u h VAL 184 Ca 0.03 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3h3u h VAL 184 Cb 0.63 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3h3u h VAL 184 CO 0.03 0.72 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3h3u n GLY 185 N 0.73 0.81 3.19 2.17 0.00 -0.87 -3.63 105.19 107.59 3h3u n GLY 185 Ca -0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 3h3u n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3u s ALA 186 N -2.42 1.08 0.72 4.61 0.00 -1.16 -4.49 121.76 120.10 3h3u s ALA 186 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.21 3h3u s ALA 186 Cb 0.00 1.04 0.01 0.00 0.00 0.00 0.00 23.12 24.17 3h3u s ALA 186 CO 0.00 -0.51 0.94 0.43 0.00 0.00 0.00 175.76 176.62 3h3u n SER 187 N -0.20 0.36 0.24 0.00 7.64 -1.26 -4.67 113.62 115.73 3h3u n SER 187 Ca -0.02 0.66 0.12 0.00 1.01 0.00 0.00 58.87 60.63 3h3u n SER 187 Cb 0.65 -1.40 0.59 0.00 -1.01 0.00 0.00 64.21 63.04 3h3u n SER 187 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3h3u h ARG 188 N -0.28 0.00 0.11 1.43 2.43 -1.95 -2.00 114.38 114.12 3h3u h ARG 188 Ca -0.47 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.42 3h3u h ARG 188 Cb 1.33 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.91 3h3u h ARG 188 CO 0.46 0.17 -1.17 0.93 -1.51 0.00 0.00 179.97 178.85 3h3u h GLU 189 N 0.00 0.60 -0.57 0.20 5.08 -1.99 -2.95 114.58 114.94 3h3u h GLU 189 Ca -0.00 -0.79 -0.06 0.00 -1.00 0.00 0.00 59.36 57.51 3h3u h GLU 189 Cb 0.57 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3h3u h GLU 189 CO 0.02 1.36 0.13 1.15 -1.00 0.00 0.00 179.01 180.67 3h3u h THR 190 N 0.21 1.24 0.13 1.13 2.02 -1.85 -0.53 112.91 115.25 3h3u h THR 190 Ca -0.18 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3h3u h THR 190 Cb 1.86 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3h3u h THR 190 CO 0.23 0.32 -0.06 0.58 0.37 0.00 0.00 175.52 176.96 3h3u h VAL 191 N 0.85 1.02 0.00 3.16 2.07 -1.45 -1.45 116.25 120.45 3h3u h VAL 191 Ca 0.18 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3h3u h VAL 191 Cb 0.33 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3h3u h VAL 191 CO 0.00 0.16 -0.16 0.78 0.02 0.00 0.00 177.57 178.37 3h3u h ASN 192 N -0.49 0.00 0.01 0.57 -0.26 -1.43 0.81 115.58 114.79 3h3u h ASN 192 Ca -0.02 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.54 3h3u h ASN 192 Cb 0.39 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.65 3h3u h ASN 192 CO 0.03 0.16 -0.64 0.50 -1.06 0.00 0.00 177.43 176.42 3h3u h LYS 193 N 0.00 0.61 -0.08 0.81 1.63 -0.99 -1.36 116.57 117.18 3h3u h LYS 193 Ca -0.00 -0.43 -0.15 0.00 -0.85 0.00 0.00 60.65 59.22 3h3u h LYS 193 Cb 0.33 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.04 3h3u h LYS 193 CO 0.02 1.05 -0.53 0.00 -3.45 0.00 0.00 179.45 176.55 3h3u h ALA 194 N 0.84 0.17 -0.44 5.00 0.00 -0.35 -2.69 119.26 121.79 3h3u h ALA 194 Ca -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3h3u h ALA 194 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3h3u h ALA 194 CO 0.12 0.38 0.11 -0.07 0.00 0.00 0.00 179.25 179.79 3h3u h LEU 195 N 0.07 0.60 -1.12 0.00 3.38 -0.92 -1.28 115.31 116.05 3h3u h LEU 195 Ca -0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3h3u h LEU 195 Cb 1.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3h3u h LEU 195 CO 0.11 0.60 -0.18 0.00 0.09 0.00 0.00 178.44 179.05 3h3u h ALA 196 N 1.48 1.26 0.01 1.53 0.00 -1.24 -2.28 119.26 120.03 3h3u h ALA 196 Ca 0.15 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 3h3u h ALA 196 Cb 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.93 3h3u h ALA 196 CO -0.00 0.49 -0.87 0.22 0.00 0.00 0.00 179.25 179.09 3h3u h ASP 197 N 0.37 0.74 -0.19 0.00 3.58 -1.04 -2.41 116.42 117.46 3h3u h ASP 197 Ca 0.06 -0.76 -0.09 0.00 0.42 0.00 0.00 57.03 56.66 3h3u h ASP 197 Cb 0.54 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3h3u h ASP 197 CO 0.04 1.41 -0.18 -0.26 -2.88 0.00 0.00 179.24 177.36 3h3u h PHE 198 N 0.16 0.69 -0.39 0.28 0.04 -1.23 -2.35 116.94 114.13 3h3u h PHE 198 Ca -0.11 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.42 3h3u h PHE 198 Cb 1.55 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.51 3h3u h PHE 198 CO 0.12 0.76 -0.19 0.00 -0.60 0.00 0.00 178.31 178.41 3h3u h ALA 199 N 1.25 0.93 -0.45 2.45 0.00 -1.47 -1.10 119.26 120.86 3h3u h ALA 199 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3h3u h ALA 199 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3h3u h ALA 199 CO 0.04 0.62 0.26 1.25 0.00 0.00 0.00 179.25 181.42 3h3u h HIS 200 N 0.67 0.59 -0.13 0.00 -0.00 -0.90 -1.49 115.15 113.88 3h3u h HIS 200 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3h3u h HIS 200 Cb 0.68 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 3h3u h HIS 200 CO 0.03 0.40 0.00 0.54 -0.00 0.00 0.00 177.93 178.90 3h3u n ARG 201 N -4.44 1.85 -0.83 5.26 1.74 -1.06 -4.92 116.66 114.27 3h3u n ARG 201 Ca 0.04 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 3h3u n ARG 201 Cb 0.08 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3h3u n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3u n GLY 202 N 1.21 0.56 0.10 -0.13 0.00 -0.56 -4.92 105.19 101.45 3h3u n GLY 202 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 3h3u n GLY 202 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h3u h TRP 203 N 0.00 0.00 -3.54 1.61 4.06 -1.41 -3.44 115.95 113.23 3h3u h TRP 203 Ca 0.00 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.51 3h3u h TRP 203 Cb 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 27.83 3h3u h TRP 203 CO 0.00 0.71 -0.79 0.42 -3.56 0.00 0.00 178.44 175.22 3h3u s ILE 204 N -2.85 0.77 -0.34 1.49 -1.09 -1.08 -1.79 121.20 116.31 3h3u s ILE 204 Ca 0.02 -0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 3h3u s ILE 204 Cb 0.09 -0.73 0.07 0.00 -1.58 0.00 0.00 42.46 40.31 3h3u s ILE 204 CO 0.78 0.27 0.07 -0.60 -1.23 0.00 0.00 174.94 174.22 3h3u s ARG 205 N 0.65 2.24 -0.65 2.79 3.52 -0.58 -4.11 118.95 122.82 3h3u s ARG 205 Ca -0.11 -1.47 -0.22 0.00 -0.13 0.00 0.00 55.73 53.80 3h3u s ARG 205 Cb -0.13 -3.31 0.08 0.00 -1.56 0.00 0.00 34.95 30.02 3h3u s ARG 205 CO 0.01 -0.78 0.93 -1.17 -0.81 0.00 0.00 175.30 173.48 3h3u s LEU 206 N 1.20 4.55 0.18 -0.88 2.96 -1.26 -1.93 118.68 123.49 3h3u s LEU 206 Ca 0.00 -1.07 0.05 0.00 -0.22 0.00 0.00 54.13 52.89 3h3u s LEU 206 Cb -0.21 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3h3u s LEU 206 CO -0.02 -1.39 0.21 -1.61 -1.32 0.00 0.00 176.35 172.21 3h3u s GLU 207 N 3.84 3.11 0.07 1.98 2.02 -1.08 -5.05 118.70 123.59 3h3u s GLU 207 Ca 0.21 -0.81 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 3h3u s GLU 207 Cb -0.18 -2.75 -0.10 0.00 0.10 0.00 0.00 34.13 31.20 3h3u s GLU 207 CO 0.09 0.48 1.91 0.41 0.02 0.00 0.00 175.26 178.17 3h3u n GLY 208 N -0.61 1.77 2.05 -1.39 0.00 -1.26 -1.83 105.19 103.92 3h3u n GLY 208 Ca -0.08 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3h3u n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3u n LYS 209 N 6.62 0.00 -3.98 1.61 5.02 -1.26 -5.00 118.16 121.17 3h3u n LYS 209 Ca 0.19 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 3h3u n LYS 209 Cb 0.39 -0.97 -0.07 0.00 -0.02 0.00 0.00 35.03 34.36 3h3u n LYS 209 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3h3u s SER 210 N -3.13 0.08 -0.03 4.39 1.04 -0.76 -0.62 113.70 114.67 3h3u s SER 210 Ca 0.00 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.53 3h3u s SER 210 Cb 0.00 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3h3u s SER 210 CO 0.00 -0.87 -0.04 -0.69 0.98 0.00 0.00 173.24 172.62 3h3u s VAL 211 N -3.98 0.45 -0.36 5.02 1.01 -0.65 -2.63 120.40 119.26 3h3u s VAL 211 Ca 0.18 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3h3u s VAL 211 Cb 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.98 3h3u s VAL 211 CO 0.00 0.18 0.19 -0.22 0.00 0.00 0.00 175.10 175.26 3h3u s LEU 212 N 0.62 4.60 -0.12 3.92 2.96 -0.82 -1.24 118.68 128.60 3h3u s LEU 212 Ca -0.08 -0.92 -0.09 0.00 -0.22 0.00 0.00 54.13 52.82 3h3u s LEU 212 Cb -0.11 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3h3u s LEU 212 CO -0.00 -0.35 0.18 -0.63 -1.32 0.00 0.00 176.35 174.22 3h3u s ILE 213 N 1.56 5.43 -1.98 6.68 1.09 1.00 -1.52 121.20 133.46 3h3u s ILE 213 Ca 0.02 0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.87 3h3u s ILE 213 Cb -0.19 -3.46 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 3h3u s ILE 213 CO 0.06 0.58 0.49 -0.24 -0.10 0.00 0.00 174.94 175.74