#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2g n LYS 2 N 0.00 1.42 -3.08 3.17 -0.00 -1.26 -4.94 118.16 113.47 1s2g n LYS 2 Ca 0.00 0.51 -0.38 0.00 -0.00 0.00 0.00 58.31 58.45 1s2g n LYS 2 Cb 0.00 -2.20 -0.06 0.00 -0.00 0.00 0.00 35.03 32.77 1s2g n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s2g s ALA 3 N 0.92 3.45 0.26 0.58 0.00 -1.26 -4.97 121.76 120.74 1s2g s ALA 3 Ca 0.84 0.22 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1s2g s ALA 3 Cb -0.89 -2.84 0.33 0.00 0.00 0.00 0.00 23.12 19.72 1s2g s ALA 3 CO 0.46 0.33 1.66 -0.39 0.00 0.00 0.00 175.76 177.81 1s2g h VAL 4 N 3.07 1.30 -3.80 0.00 -1.51 -2.03 -3.44 116.25 109.83 1s2g h VAL 4 Ca -0.48 -1.48 -0.15 0.00 -1.23 0.00 0.00 66.70 63.36 1s2g h VAL 4 Cb 1.20 1.54 -0.19 0.00 -2.13 0.00 0.00 31.29 31.71 1s2g h VAL 4 CO 0.65 0.46 -0.58 0.68 -1.23 0.00 0.00 177.57 177.55 1s2g s VAL 5 N -4.27 0.12 0.22 7.19 -7.23 -1.26 -5.12 120.40 110.04 1s2g s VAL 5 Ca -0.06 -0.96 -0.32 0.00 -1.81 0.00 0.00 61.98 58.83 1s2g s VAL 5 Cb 0.13 -0.59 -0.14 0.00 0.56 0.00 0.00 36.38 36.35 1s2g s VAL 5 CO 0.80 -0.53 1.40 -2.65 -0.31 0.00 0.00 175.10 173.81 1s2g n PRO 6 N 1.20 1.93 0.00 4.82 -0.02 -1.26 -4.87 135.00 136.80 1s2g n PRO 6 Ca -0.21 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1s2g n PRO 6 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1s2g n PRO 6 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1s2g n THR 7 N 2.07 0.00 -2.03 3.45 -2.24 -1.16 -4.41 114.28 109.97 1s2g n THR 7 Ca 0.13 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1s2g n THR 7 Cb 0.30 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1s2g n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s2g s GLY 8 N -0.96 1.52 -0.30 3.38 0.00 -0.67 -4.71 107.32 105.59 1s2g s GLY 8 Ca 0.00 0.90 0.01 0.00 0.00 0.00 0.00 44.72 45.63 1s2g s GLY 8 CO 0.00 3.02 -0.01 0.54 0.00 0.00 0.00 173.10 176.64 1s2g s LYS 9 N 4.05 2.08 -0.08 2.90 1.02 -1.26 -0.24 119.74 128.22 1s2g s LYS 9 Ca 0.73 -1.50 -0.19 0.00 0.02 0.00 0.00 55.97 55.03 1s2g s LYS 9 Cb -0.32 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1s2g s LYS 9 CO 0.29 -0.72 0.53 0.42 -0.92 0.00 0.00 175.35 174.95 1s2g s ILE 10 N 1.09 5.11 -0.45 2.17 -1.09 -0.14 0.71 121.20 128.60 1s2g s ILE 10 Ca -0.02 1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 59.34 1s2g s ILE 10 Cb -0.20 -3.87 0.07 0.00 -1.58 0.00 0.00 42.46 36.89 1s2g s ILE 10 CO -0.05 0.35 0.35 -0.47 -1.23 0.00 0.00 174.94 173.89 1s2g s TYR 11 N 0.40 3.27 -0.80 3.97 5.04 -0.27 -0.63 117.35 128.33 1s2g s TYR 11 Ca 0.29 -1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 53.61 1s2g s TYR 11 Cb -0.16 -3.08 0.10 0.00 0.35 0.00 0.00 41.96 39.17 1s2g s TYR 11 CO 0.13 -0.80 1.06 -1.17 -1.34 0.00 0.00 175.55 173.42 1s2g s LEU 12 N 1.58 4.68 0.23 6.97 2.96 -0.22 -0.96 118.68 133.92 1s2g s LEU 12 Ca 0.04 -1.52 -0.19 0.00 -0.22 0.00 0.00 54.13 52.24 1s2g s LEU 12 Cb -0.24 -2.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.96 1s2g s LEU 12 CO 0.05 -1.26 0.73 -0.83 -1.32 0.00 0.00 176.35 173.72 1s2g s GLY 13 N 3.73 2.59 -0.28 7.98 0.00 0.03 -4.40 107.32 116.98 1s2g s GLY 13 Ca 0.28 0.16 -0.28 0.00 0.00 0.00 0.00 44.72 44.88 1s2g s GLY 13 CO -0.00 0.51 1.33 -0.45 0.00 0.00 0.00 173.10 174.49 1s2g s SER 14 N -1.70 -0.09 1.08 1.64 0.15 -1.26 -1.66 113.70 111.85 1s2g s SER 14 Ca 0.44 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 57.09 1s2g s SER 14 Cb -0.16 0.11 0.23 0.00 -1.71 0.00 0.00 66.02 64.50 1s2g s SER 14 CO 0.21 -0.07 1.07 -2.84 1.20 0.00 0.00 173.24 172.81 1s2g s PRO 15 N -0.67 -0.24 -0.36 5.44 0.02 -1.26 -4.97 135.00 132.96 1s2g s PRO 15 Ca 0.07 0.51 0.05 0.00 0.02 0.00 0.00 61.00 61.65 1s2g s PRO 15 Cb -0.02 -1.66 0.22 0.00 0.02 0.00 0.00 34.50 33.06 1s2g s PRO 15 CO -0.09 -3.18 1.20 0.34 -0.33 0.00 0.00 177.00 174.94 1s2g n PHE 16 N -4.49 -1.33 -0.01 6.54 7.35 -1.26 -4.67 117.46 119.59 1s2g n PHE 16 Ca 0.05 -1.26 -0.02 0.00 -0.76 0.00 0.00 57.45 55.47 1s2g n PHE 16 Cb 0.57 1.37 -0.01 0.00 0.35 0.00 0.00 39.48 41.76 1s2g n PHE 16 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1s2g n TYR 17 N -0.44 0.00 -2.86 -5.13 4.01 -1.26 -4.96 117.16 106.53 1s2g n TYR 17 Ca -0.15 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.28 1s2g n TYR 17 Cb 0.74 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 1s2g n TYR 17 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1s2g s SER 18 N -4.14 6.60 0.23 7.72 1.04 -1.26 -4.99 113.70 118.89 1s2g s SER 18 Ca -0.03 1.23 -0.08 0.00 0.48 0.00 0.00 55.95 57.54 1s2g s SER 18 Cb 0.01 -2.36 0.20 0.00 0.10 0.00 0.00 66.02 63.97 1s2g s SER 18 CO 0.06 -0.38 1.89 0.44 0.98 0.00 0.00 173.24 176.23 1s2g h ASP 19 N 1.44 1.02 -0.81 7.02 3.32 -1.99 -2.46 116.42 123.96 1s2g h ASP 19 Ca -0.47 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 1s2g h ASP 19 Cb 1.18 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1s2g h ASP 19 CO 0.64 0.76 0.33 0.00 -1.72 0.00 0.00 179.24 179.24 1s2g h ALA 20 N 1.30 1.05 -0.27 3.45 0.00 -1.99 -1.40 119.26 121.40 1s2g h ALA 20 Ca 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s2g h ALA 20 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1s2g h ALA 20 CO -0.06 0.67 0.08 1.96 0.00 0.00 0.00 179.25 181.90 1s2g h GLN 21 N 1.17 0.42 0.00 0.00 4.20 -1.83 -2.14 115.11 116.93 1s2g h GLN 21 Ca 0.27 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1s2g h GLN 21 Cb 0.21 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1s2g h GLN 21 CO -0.02 0.49 -0.31 0.07 -0.67 0.00 0.00 178.83 178.38 1s2g h ARG 22 N 0.27 0.00 -0.21 1.46 0.11 -1.29 -1.88 114.38 112.84 1s2g h ARG 22 Ca 0.09 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.01 1s2g h ARG 22 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1s2g h ARG 22 CO -0.00 0.31 -0.52 0.93 0.10 0.00 0.00 179.97 180.79 1s2g h GLU 23 N 0.00 0.59 -0.44 0.08 5.08 -1.04 -0.50 114.58 118.36 1s2g h GLU 23 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1s2g h GLU 23 Cb 0.63 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1s2g h GLU 23 CO 0.04 0.97 0.00 0.00 -1.00 0.00 0.00 179.01 179.02 1s2g h ARG 24 N 0.46 0.77 -0.03 2.33 3.08 -0.98 -0.78 114.38 119.22 1s2g h ARG 24 Ca 0.02 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1s2g h ARG 24 Cb 1.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1s2g h ARG 24 CO 0.10 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 1s2g h ALA 25 N 0.91 0.03 -0.27 0.04 0.00 -1.18 0.66 119.26 119.44 1s2g h ALA 25 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1s2g h ALA 25 Cb 0.48 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1s2g h ALA 25 CO 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 179.25 178.66 1s2g h ALA 26 N 1.02 0.10 -0.83 0.00 0.00 -0.94 -0.45 119.26 118.16 1s2g h ALA 26 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s2g h ALA 26 Cb 0.01 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1s2g h ALA 26 CO -0.02 -0.52 0.51 -0.22 0.00 0.00 0.00 179.25 179.00 1s2g h LYS 27 N -0.08 1.12 -0.51 0.00 1.63 -0.69 -2.27 116.57 115.77 1s2g h LYS 27 Ca 0.14 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1s2g h LYS 27 Cb 0.29 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1s2g h LYS 27 CO -0.32 0.77 0.31 0.00 -3.45 0.00 0.00 179.45 176.76 1s2g h ALA 28 N 1.28 0.65 -0.53 5.00 0.00 0.11 -1.10 119.26 124.66 1s2g h ALA 28 Ca 0.30 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1s2g h ALA 28 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1s2g h ALA 28 CO -0.06 0.02 0.32 0.87 0.00 0.00 0.00 179.25 180.40 1s2g h LYS 29 N 0.62 0.61 -0.35 0.00 1.57 -0.67 0.14 116.57 118.48 1s2g h LYS 29 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1s2g h LYS 29 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1s2g h LYS 29 CO -0.08 0.40 0.22 0.93 -0.57 0.00 0.00 179.45 180.35 1s2g h GLU 30 N 0.63 0.47 -0.08 3.15 5.08 -0.93 0.16 114.58 123.06 1s2g h GLU 30 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1s2g h GLU 30 Cb 0.03 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1s2g h GLU 30 CO -0.10 0.34 0.02 -0.07 -1.00 0.00 0.00 179.01 178.20 1s2g h LEU 31 N 0.47 0.12 -1.48 1.33 3.38 -0.85 -2.75 115.31 115.52 1s2g h LEU 31 Ca 0.13 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1s2g h LEU 31 Cb -0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1s2g h LEU 31 CO -0.03 0.31 0.38 -0.07 0.09 0.00 0.00 178.44 179.13 1s2g h LEU 32 N -0.08 0.58 -2.19 1.67 3.38 -0.55 -0.31 115.31 117.81 1s2g h LEU 32 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1s2g h LEU 32 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1s2g h LEU 32 CO 0.00 0.40 -0.03 0.00 0.09 0.00 0.00 178.44 178.91 1s2g h ALA 33 N 1.66 1.69 -0.06 1.53 0.00 -0.39 -1.47 119.26 122.23 1s2g h ALA 33 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1s2g h ALA 33 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s2g h ALA 33 CO -0.06 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.85 1s2g n LYS 34 N -4.12 1.69 -3.16 0.00 5.02 -0.13 -4.83 118.16 112.64 1s2g n LYS 34 Ca -0.03 -1.01 -0.42 0.00 -2.02 0.00 0.00 58.31 54.83 1s2g n LYS 34 Cb 0.11 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1s2g n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s2g s ASN 35 N -1.89 6.37 0.12 4.39 3.84 -0.56 -4.86 114.94 122.36 1s2g s ASN 35 Ca 0.37 0.03 0.13 0.00 0.21 0.00 0.00 52.86 53.59 1s2g s ASN 35 Cb 0.20 -2.30 0.61 0.00 -0.55 0.00 0.00 41.25 39.21 1s2g s ASN 35 CO 0.32 -0.57 1.41 -2.65 -2.79 0.00 0.00 177.10 172.81 1s2g n PRO 36 N 5.95 0.07 0.00 0.43 -0.02 -1.26 -2.08 135.00 138.09 1s2g n PRO 36 Ca -0.03 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1s2g n PRO 36 Cb 0.49 -1.67 0.43 0.00 -0.02 0.00 0.00 33.50 32.72 1s2g n PRO 36 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s2g n SER 37 N -1.81 1.11 -4.67 2.55 3.41 -1.26 -4.42 113.62 108.53 1s2g n SER 37 Ca 0.01 -1.03 -0.37 0.00 -0.26 0.00 0.00 58.87 57.23 1s2g n SER 37 Cb 0.10 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 1s2g n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s2g s ILE 38 N -2.37 5.31 -0.11 -1.33 1.01 -0.88 -1.66 121.20 121.17 1s2g s ILE 38 Ca 0.28 0.37 0.15 0.00 0.00 0.00 0.00 60.65 61.46 1s2g s ILE 38 Cb 0.20 -3.58 -0.22 0.00 0.01 0.00 0.00 42.46 38.86 1s2g s ILE 38 CO 0.47 0.33 0.49 0.00 0.00 0.00 0.00 174.94 176.23 1s2g n ALA 39 N 4.24 1.63 -3.54 9.38 0.00 0.67 -4.85 120.51 128.03 1s2g n ALA 39 Ca -0.13 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.27 1s2g n ALA 39 Cb 0.52 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 1s2g n ALA 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s2g s HIS 40 N -2.66 -0.51 -0.05 0.00 5.65 -1.04 -5.02 115.29 111.65 1s2g s HIS 40 Ca -0.06 0.86 0.01 0.00 0.25 0.00 0.00 55.06 56.12 1s2g s HIS 40 Cb 0.08 0.43 0.02 0.00 -1.18 0.00 0.00 32.58 31.93 1s2g s HIS 40 CO 0.83 -0.49 -0.06 0.08 -0.65 0.00 0.00 174.74 174.45 1s2g s VAL 41 N -1.25 0.64 -0.16 0.89 1.01 -1.26 -0.96 120.40 119.30 1s2g s VAL 41 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1s2g s VAL 41 Cb -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1s2g s VAL 41 CO 0.05 0.25 -0.13 0.12 0.00 0.00 0.00 175.10 175.39 1s2g s PHE 42 N 0.83 2.82 -0.24 5.22 5.36 0.20 -4.98 117.98 127.19 1s2g s PHE 42 Ca -0.12 -0.97 0.02 0.00 -0.96 0.00 0.00 56.93 54.89 1s2g s PHE 42 Cb -0.15 -1.92 0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1s2g s PHE 42 CO 0.01 -0.45 -0.12 0.12 -1.46 0.00 0.00 175.22 173.32 1s2g s PHE 43 N 0.86 3.12 0.50 10.12 5.36 -1.26 -1.06 117.98 135.62 1s2g s PHE 43 Ca -0.04 -2.04 0.35 0.00 -0.96 0.00 0.00 56.93 54.24 1s2g s PHE 43 Cb -0.15 -1.95 1.48 0.00 -0.34 0.00 0.00 43.02 42.06 1s2g s PHE 43 CO -0.00 -0.84 1.71 -1.00 -1.46 0.00 0.00 175.22 173.63 1s2g h PRO 44 N 7.85 0.09 -0.14 10.12 0.13 -1.97 -1.18 132.00 146.90 1s2g h PRO 44 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1s2g h PRO 44 Cb 1.07 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1s2g h PRO 44 CO 0.52 0.06 0.00 1.19 -0.23 0.00 0.00 178.00 179.54 1s2g n PHE 45 N -4.32 0.17 -0.06 1.56 3.72 -1.26 -4.39 117.46 112.88 1s2g n PHE 45 Ca 0.32 -0.08 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1s2g n PHE 45 Cb 1.37 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.85 1s2g n PHE 45 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1s2g h ASP 46 N 2.67 0.35 0.00 4.37 3.32 -1.65 -3.45 116.42 122.03 1s2g h ASP 46 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1s2g h ASP 46 Cb 0.58 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1s2g h ASP 46 CO 0.00 0.70 0.00 0.47 -1.72 0.00 0.00 179.24 178.69 1s2g n ASP 47 N -4.61 0.00 0.00 6.45 8.00 -1.26 -5.16 116.55 119.97 1s2g n ASP 47 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1s2g n ASP 47 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1s2g n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s2g n GLY 48 N 4.48 3.55 3.78 0.44 0.00 -1.26 -5.09 105.19 111.09 1s2g n GLY 48 Ca 0.00 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1s2g n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s2g s PHE 49 N -2.45 3.26 -0.18 1.61 5.36 -1.26 -5.10 117.98 119.23 1s2g s PHE 49 Ca 0.00 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 1s2g s PHE 49 Cb 0.00 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.98 1s2g s PHE 49 CO 0.00 0.54 -0.20 0.99 -1.46 0.00 0.00 175.22 175.09 1s2g s THR 50 N -1.21 2.08 -0.44 0.12 2.01 -1.26 -5.02 115.64 111.92 1s2g s THR 50 Ca 0.23 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1s2g s THR 50 Cb -0.12 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1s2g s THR 50 CO 0.15 0.54 0.60 -0.62 -0.69 0.00 0.00 174.62 174.60 1s2g s ASP 51 N 1.24 6.28 0.46 3.53 2.15 -1.26 -4.93 116.67 124.14 1s2g s ASP 51 Ca 0.04 -0.48 0.16 0.00 0.43 0.00 0.00 52.55 52.69 1s2g s ASP 51 Cb -0.13 -2.30 1.11 0.00 -0.30 0.00 0.00 42.92 41.30 1s2g s ASP 51 CO -0.12 -0.76 2.00 -0.65 -0.17 0.00 0.00 175.17 175.48 1s2g h PRO 52 N 8.87 0.30 -0.00 4.34 0.11 -2.03 0.45 132.00 144.02 1s2g h PRO 52 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1s2g h PRO 52 Cb 1.10 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1s2g h PRO 52 CO 0.88 0.20 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.61 1s2g n ASP 53 N -4.46 0.12 -4.44 -2.05 8.00 -1.26 -4.66 116.55 107.80 1s2g n ASP 53 Ca 0.08 -0.71 -0.44 0.00 0.71 0.00 0.00 54.79 54.43 1s2g n ASP 53 Cb 0.37 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1s2g n ASP 53 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s2g s GLU 54 N -2.23 3.12 -0.03 -1.24 2.12 0.15 -5.04 118.70 115.55 1s2g s GLU 54 Ca 0.40 -0.92 -0.28 0.00 0.36 0.00 0.00 54.97 54.53 1s2g s GLU 54 Cb 0.21 -4.12 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 1s2g s GLU 54 CO 0.41 -1.27 0.89 -1.59 -0.54 0.00 0.00 175.26 173.15 1s2g s LYS 55 N 2.69 4.50 -1.03 4.30 0.00 -1.26 -4.32 119.74 124.62 1s2g s LYS 55 Ca 0.15 1.24 -0.17 0.00 0.00 0.00 0.00 55.97 57.19 1s2g s LYS 55 Cb -0.20 -3.47 0.01 0.00 0.00 0.00 0.00 37.83 34.18 1s2g s LYS 55 CO 0.11 -0.04 0.71 0.27 0.00 0.00 0.00 175.35 176.40 1s2g n ASN 56 N 3.98 -5.20 -4.71 0.03 0.23 -1.26 -4.89 115.26 103.44 1s2g n ASN 56 Ca 0.04 -0.97 -0.42 0.00 -0.53 0.00 0.00 54.58 52.70 1s2g n ASN 56 Cb 0.51 -2.71 -0.03 0.00 -2.08 0.00 0.00 39.78 35.47 1s2g n ASN 56 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 1s2g s PRO 57 N -5.74 4.32 0.09 -0.53 0.02 -1.26 -5.03 135.00 126.87 1s2g s PRO 57 Ca 0.30 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.45 1s2g s PRO 57 Cb -0.13 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 1s2g s PRO 57 CO 0.89 -0.45 -0.24 -1.21 -0.33 0.00 0.00 177.00 175.66 1s2g s GLU 58 N 1.34 1.70 0.05 5.54 2.02 -1.26 -5.09 118.70 123.00 1s2g s GLU 58 Ca 0.64 -1.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 1s2g s GLU 58 Cb -0.35 -2.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 1s2g s GLU 58 CO 0.30 0.49 1.10 0.42 0.02 0.00 0.00 175.26 177.59 1s2g s ILE 59 N -0.97 4.34 0.00 -1.63 -1.09 -1.26 -2.34 121.20 118.26 1s2g s ILE 59 Ca 0.14 1.71 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 1s2g s ILE 59 Cb -0.10 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1s2g s ILE 59 CO 0.05 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 1s2g n GLY 60 N 2.97 1.62 4.00 6.18 0.00 -1.26 -5.02 105.19 113.69 1s2g n GLY 60 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1s2g n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s2g s GLY 61 N -1.88 1.76 -0.12 -0.02 0.00 -0.99 -5.00 107.32 101.06 1s2g s GLY 61 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 1s2g s GLY 61 CO 0.00 -1.25 1.69 -0.42 0.00 0.00 0.00 173.10 173.13 1s2g s ILE 62 N -3.07 3.56 0.16 0.90 -1.09 -1.26 -4.92 121.20 115.48 1s2g s ILE 62 Ca 0.66 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 1s2g s ILE 62 Cb -0.05 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1s2g s ILE 62 CO 0.43 -0.14 0.29 -0.13 -1.23 0.00 0.00 174.94 174.17 1s2g s ARG 63 N 4.42 3.44 0.62 2.79 1.81 -1.26 -4.81 118.95 125.97 1s2g s ARG 63 Ca 0.75 -0.60 -0.17 0.00 -1.72 0.00 0.00 55.73 53.99 1s2g s ARG 63 Cb -0.31 -2.95 -0.02 0.00 -0.45 0.00 0.00 34.95 31.22 1s2g s ARG 63 CO 0.30 0.51 1.16 -1.54 -0.68 0.00 0.00 175.30 175.05 1s2g s SER 64 N -3.30 5.15 0.28 0.23 1.04 -1.26 -4.86 113.70 110.98 1s2g s SER 64 Ca 0.35 2.20 -0.02 0.00 0.48 0.00 0.00 55.95 58.95 1s2g s SER 64 Cb -0.11 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.83 1s2g s SER 64 CO 0.29 -1.61 1.89 -0.03 0.98 0.00 0.00 173.24 174.76 1s2g h MET 65 N 0.51 1.00 -0.20 4.02 4.05 -1.99 -1.27 114.93 121.06 1s2g h MET 65 Ca -0.49 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 58.80 1s2g h MET 65 Cb 1.27 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 1s2g h MET 65 CO 0.54 0.76 0.12 0.28 0.23 0.00 0.00 176.91 178.84 1s2g h VAL 66 N 1.00 1.09 -0.54 -5.77 2.07 -1.99 0.76 116.25 112.86 1s2g h VAL 66 Ca 0.25 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1s2g h VAL 66 Cb 0.08 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1s2g h VAL 66 CO -0.03 0.08 0.35 -0.25 0.02 0.00 0.00 177.57 177.74 1s2g h TRP 67 N 0.23 0.70 -0.09 1.57 7.01 -1.85 -0.39 115.95 123.13 1s2g h TRP 67 Ca 0.07 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.10 1s2g h TRP 67 Cb 0.03 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 1s2g h TRP 67 CO -0.05 0.46 -0.02 0.00 -2.79 0.00 0.00 178.44 176.04 1s2g h ARG 68 N 0.74 -0.00 -0.28 2.65 3.08 -0.88 0.10 114.38 119.79 1s2g h ARG 68 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1s2g h ARG 68 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1s2g h ARG 68 CO -0.04 -0.00 0.11 -0.44 -1.07 0.00 0.00 179.97 178.53 1s2g h ASP 69 N -0.00 0.39 -0.24 7.04 3.32 -0.64 -0.84 116.42 125.44 1s2g h ASP 69 Ca 0.05 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1s2g h ASP 69 Cb 0.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1s2g h ASP 69 CO -0.10 0.45 0.13 0.00 -1.72 0.00 0.00 179.24 177.99 1s2g h ALA 70 N 0.96 0.29 -0.28 3.45 0.00 -0.88 -0.29 119.26 122.52 1s2g h ALA 70 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1s2g h ALA 70 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1s2g h ALA 70 CO -0.01 -0.27 0.01 1.15 0.00 0.00 0.00 179.25 180.13 1s2g h THR 71 N 0.26 1.25 -0.45 0.00 2.02 -0.89 -0.79 112.91 114.31 1s2g h THR 71 Ca 0.10 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1s2g h THR 71 Cb 0.02 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1s2g h THR 71 CO -0.06 0.29 0.29 0.22 0.37 0.00 0.00 175.52 176.63 1s2g h TYR 72 N 0.27 0.58 -0.46 3.16 3.20 -1.07 -2.28 116.97 120.36 1s2g h TYR 72 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1s2g h TYR 72 Cb 0.41 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1s2g h TYR 72 CO 0.03 0.37 0.11 0.37 -1.64 0.00 0.00 178.16 177.41 1s2g h GLN 73 N 0.61 0.70 -0.49 1.82 5.75 -0.90 -1.52 115.11 121.08 1s2g h GLN 73 Ca 0.16 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1s2g h GLN 73 Cb -0.05 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1s2g h GLN 73 CO -0.03 0.64 0.32 -0.91 -2.65 0.00 0.00 178.83 176.20 1s2g h ASN 74 N 0.68 0.55 -0.07 -0.69 2.35 -0.57 0.41 115.58 118.24 1s2g h ASN 74 Ca 0.15 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1s2g h ASN 74 Cb 0.26 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1s2g h ASN 74 CO -0.00 0.40 -0.52 0.44 -1.65 0.00 0.00 177.43 176.10 1s2g h ASP 75 N 0.65 0.58 -0.45 5.81 3.32 -0.98 -1.08 116.42 124.27 1s2g h ASP 75 Ca 0.18 -0.67 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1s2g h ASP 75 Cb -0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1s2g h ASP 75 CO -0.04 1.16 0.14 -0.07 -1.72 0.00 0.00 179.24 178.72 1s2g h LEU 76 N 0.04 0.70 -0.52 1.55 3.38 -0.86 0.79 115.31 120.40 1s2g h LEU 76 Ca -0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1s2g h LEU 76 Cb 1.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1s2g h LEU 76 CO 0.11 0.68 0.17 0.74 0.09 0.00 0.00 178.44 180.23 1s2g h THR 77 N 0.74 1.23 -0.67 0.22 2.02 -0.14 0.16 112.91 116.47 1s2g h THR 77 Ca 0.17 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1s2g h THR 77 Cb 0.24 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1s2g h THR 77 CO -0.01 0.28 0.27 1.23 0.37 0.00 0.00 175.52 177.67 1s2g h GLY 78 N 0.71 1.06 1.08 2.16 0.00 -0.27 -0.74 103.07 107.07 1s2g h GLY 78 Ca 0.17 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1s2g h GLY 78 CO -0.01 0.52 -0.11 -2.22 0.00 0.00 0.00 176.54 174.73 1s2g h ILE 79 N 0.97 1.27 -0.23 2.60 2.04 -0.32 -1.66 117.51 122.17 1s2g h ILE 79 Ca 0.23 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1s2g h ILE 79 Cb 0.18 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1s2g h ILE 79 CO -0.02 0.44 0.09 -1.28 0.00 0.00 0.00 178.15 177.37 1s2g h SER 80 N 0.86 0.33 0.59 1.72 0.87 -0.17 -2.95 113.55 114.80 1s2g h SER 80 Ca 0.13 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1s2g h SER 80 Cb 0.67 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1s2g h SER 80 CO 0.05 0.42 -0.37 0.78 -0.53 0.00 0.00 176.83 177.17 1s2g h ASN 81 N 0.22 0.00 -4.10 6.23 2.35 -1.12 -3.45 115.58 115.70 1s2g h ASN 81 Ca 0.08 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.32 1s2g h ASN 81 Cb 0.20 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.65 1s2g h ASN 81 CO -0.00 0.37 0.43 0.00 -1.65 0.00 0.00 177.43 176.57 1s2g s ALA 82 N -3.88 2.66 -0.13 -0.83 0.00 -0.63 -4.89 121.76 114.07 1s2g s ALA 82 Ca -0.01 0.80 0.18 0.00 0.00 0.00 0.00 51.96 52.93 1s2g s ALA 82 Cb 0.13 -3.36 -0.22 0.00 0.00 0.00 0.00 23.12 19.67 1s2g s ALA 82 CO 0.70 -0.84 0.51 0.25 0.00 0.00 0.00 175.76 176.37 1s2g n THR 83 N -1.44 0.96 -3.79 0.00 -2.24 0.22 -4.97 114.28 103.02 1s2g n THR 83 Ca 0.12 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1s2g n THR 83 Cb 0.51 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1s2g n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s2g s GLY 85 N -2.89 1.58 -0.21 0.00 0.00 -0.76 -1.11 107.32 103.93 1s2g s GLY 85 Ca 0.10 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 1s2g s GLY 85 CO -0.04 -0.89 -0.05 0.14 0.00 0.00 0.00 173.10 172.25 1s2g s VAL 86 N -0.84 1.30 -0.24 1.40 1.01 -0.13 0.94 120.40 123.83 1s2g s VAL 86 Ca 0.13 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1s2g s VAL 86 Cb -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1s2g s VAL 86 CO 0.03 -0.01 0.00 -0.36 0.00 0.00 0.00 175.10 174.76 1s2g s PHE 87 N 1.52 3.02 -1.10 5.22 0.08 -0.23 -0.79 117.98 125.70 1s2g s PHE 87 Ca -0.03 -0.88 -0.21 0.00 0.12 0.00 0.00 56.93 55.93 1s2g s PHE 87 Cb -0.17 -2.16 0.06 0.00 -0.57 0.00 0.00 43.02 40.18 1s2g s PHE 87 CO -0.07 -0.52 1.52 -0.51 -0.10 0.00 0.00 175.22 175.54 1s2g s LEU 88 N 1.50 3.67 -0.50 -0.37 1.02 -0.67 -0.52 118.68 122.82 1s2g s LEU 88 Ca 0.05 -1.78 -0.23 0.00 0.02 0.00 0.00 54.13 52.19 1s2g s LEU 88 Cb -0.15 -2.57 0.04 0.00 0.02 0.00 0.00 46.19 43.53 1s2g s LEU 88 CO -0.01 -1.39 0.83 -0.47 0.02 0.00 0.00 176.35 175.34 1s2g s TYR 89 N 4.65 2.91 -0.43 0.29 5.04 -0.41 -4.36 117.35 125.04 1s2g s TYR 89 Ca 0.48 -0.00 -0.28 0.00 -2.44 0.00 0.00 57.07 54.82 1s2g s TYR 89 Cb 0.01 -3.83 -0.00 0.00 0.35 0.00 0.00 41.96 38.49 1s2g s TYR 89 CO -0.05 -1.15 1.60 0.34 -1.34 0.00 0.00 175.55 174.95 1s2g s ASP 90 N 2.51 6.01 0.08 4.32 -1.08 -1.26 -1.49 116.67 125.76 1s2g s ASP 90 Ca 0.28 0.83 0.25 0.00 -0.52 0.00 0.00 52.55 53.39 1s2g s ASP 90 Cb -0.13 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.78 1s2g s ASP 90 CO 0.20 -1.69 1.78 0.23 0.52 0.00 0.00 175.17 176.20 1s2g n MET 91 N 8.44 0.08 -0.00 4.34 2.81 -0.23 -3.66 117.12 128.89 1s2g n MET 91 Ca 0.18 0.15 -0.21 0.00 -1.81 0.00 0.00 57.70 56.01 1s2g n MET 91 Cb 0.48 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 31.24 1s2g n MET 91 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1s2g n ASP 92 N -1.75 2.12 -3.82 7.83 10.43 -1.26 -4.66 116.55 125.43 1s2g n ASP 92 Ca 0.05 0.20 -0.30 0.00 2.57 0.00 0.00 54.79 57.32 1s2g n ASP 92 Cb 0.31 -0.85 -0.14 0.00 1.84 0.00 0.00 41.12 42.29 1s2g n ASP 92 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1s2g s GLN 93 N -2.55 1.59 0.14 -1.24 2.00 -1.24 -5.09 119.66 113.27 1s2g s GLN 93 Ca -0.23 -2.27 -0.35 0.00 -2.00 0.00 0.00 55.36 50.51 1s2g s GLN 93 Cb 0.07 -2.78 -0.15 0.00 0.80 0.00 0.00 33.01 30.95 1s2g s GLN 93 CO 0.76 -1.13 1.52 1.28 -0.50 0.00 0.00 175.29 177.21 1s2g n LEU 94 N 3.37 2.73 -4.42 3.68 4.77 -1.24 -4.72 117.00 121.17 1s2g n LEU 94 Ca 0.07 1.09 -0.40 0.00 -0.03 0.00 0.00 56.01 56.74 1s2g n LEU 94 Cb 0.33 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 39.95 1s2g n LEU 94 CO 0.29 -0.48 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.07 1s2g s ASP 95 N 0.80 5.68 0.50 -1.43 2.15 -1.26 -4.96 116.67 118.14 1s2g s ASP 95 Ca 0.80 -0.75 0.29 0.00 0.43 0.00 0.00 52.55 53.32 1s2g s ASP 95 Cb -0.75 -2.02 1.19 0.00 -0.30 0.00 0.00 42.92 41.04 1s2g s ASP 95 CO 0.40 -0.29 1.93 -2.24 -0.17 0.00 0.00 175.17 174.80 1s2g h ASP 96 N 8.41 0.00 -0.27 -0.34 2.03 -1.99 -2.25 116.42 122.01 1s2g h ASP 96 Ca -0.29 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.96 1s2g h ASP 96 Cb 1.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1s2g h ASP 96 CO 0.64 0.12 -0.03 1.23 -1.03 0.00 0.00 179.24 180.18 1s2g h GLY 97 N 1.86 0.54 1.03 7.15 0.00 -1.99 0.11 103.07 111.77 1s2g h GLY 97 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1s2g h GLY 97 CO 0.02 0.39 0.03 1.76 0.00 0.00 0.00 176.54 178.73 1s2g h SER 98 N 0.27 0.91 -0.53 0.19 0.02 -1.90 -1.37 113.55 111.13 1s2g h SER 98 Ca 0.07 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1s2g h SER 98 Cb 0.48 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1s2g h SER 98 CO 0.02 0.98 0.23 0.00 -1.14 0.00 0.00 176.83 176.92 1s2g h ALA 99 N 0.96 0.69 -0.66 3.77 0.00 -1.29 0.12 119.26 122.85 1s2g h ALA 99 Ca 0.16 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1s2g h ALA 99 Cb 0.50 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1s2g h ALA 99 CO 0.02 0.28 0.40 0.35 0.00 0.00 0.00 179.25 180.30 1s2g h PHE 100 N 0.72 0.74 -0.50 0.00 3.57 -0.60 -1.00 116.94 119.86 1s2g h PHE 100 Ca 0.18 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1s2g h PHE 100 Cb 0.16 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1s2g h PHE 100 CO 0.00 0.40 -0.09 0.93 -2.23 0.00 0.00 178.31 177.32 1s2g h GLU 101 N 0.76 0.91 -0.39 1.11 5.08 -0.50 -0.06 114.58 121.50 1s2g h GLU 101 Ca 0.27 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1s2g h GLU 101 Cb 0.07 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1s2g h GLU 101 CO -0.13 0.96 0.18 0.82 -1.00 0.00 0.00 179.01 179.85 1s2g h ILE 102 N 0.82 1.18 -0.46 3.13 2.04 -0.33 -0.07 117.51 123.82 1s2g h ILE 102 Ca 0.14 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1s2g h ILE 102 Cb 0.62 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1s2g h ILE 102 CO 0.04 0.19 0.29 1.23 0.00 0.00 0.00 178.15 179.90 1s2g h GLY 103 N 0.49 0.66 0.80 5.37 0.00 -0.90 -0.84 103.07 108.65 1s2g h GLY 103 Ca 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1s2g h GLY 103 CO -0.02 0.26 0.07 -2.75 0.00 0.00 0.00 176.54 174.10 1s2g h PHE 104 N 0.61 0.13 -0.79 5.60 3.57 -0.66 -0.54 116.94 124.85 1s2g h PHE 104 Ca 0.17 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1s2g h PHE 104 Cb -0.03 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1s2g h PHE 104 CO -0.04 0.06 0.31 0.52 -2.23 0.00 0.00 178.31 176.93 1s2g h MET 105 N 0.18 1.19 -0.32 1.11 2.86 -0.76 -2.44 114.93 116.75 1s2g h MET 105 Ca 0.10 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 1s2g h MET 105 Cb 0.07 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1s2g h MET 105 CO -0.11 0.97 -0.32 0.00 1.06 0.00 0.00 176.91 178.51 1s2g h ARG 106 N 1.16 0.69 0.00 1.72 2.47 -0.88 -1.21 114.38 118.34 1s2g h ARG 106 Ca 0.26 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1s2g h ARG 106 Cb 0.23 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1s2g h ARG 106 CO -0.02 0.92 -0.00 0.00 0.56 0.00 0.00 179.97 181.43 1s2g h ALA 107 N 1.05 1.88 -0.02 0.04 0.00 -0.76 0.52 119.26 121.97 1s2g h ALA 107 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s2g h ALA 107 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1s2g h ALA 107 CO 0.07 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1s2g n MET 108 N -4.36 1.32 -1.20 0.00 2.81 -0.64 -4.90 117.12 110.14 1s2g n MET 108 Ca -0.03 -0.47 -0.07 0.00 -1.81 0.00 0.00 57.70 55.32 1s2g n MET 108 Cb 0.09 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1s2g n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1s2g n HIS 109 N -0.42 0.00 -2.99 2.03 -0.00 0.18 -5.01 115.22 109.02 1s2g n HIS 109 Ca 0.21 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.54 1s2g n HIS 109 Cb 0.22 -1.63 -0.06 0.00 -0.00 0.00 0.00 29.99 28.52 1s2g n HIS 109 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1s2g s LYS 110 N -2.28 4.52 0.58 -0.41 1.02 -0.55 -4.99 119.74 117.62 1s2g s LYS 110 Ca 0.00 1.12 -0.20 0.00 0.02 0.00 0.00 55.97 56.92 1s2g s LYS 110 Cb 0.00 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1s2g s LYS 110 CO 0.00 0.52 1.27 -1.25 -0.92 0.00 0.00 175.35 174.97 1s2g s PRO 111 N -1.35 3.00 -0.11 -1.68 0.04 -1.26 -4.33 135.00 129.31 1s2g s PRO 111 Ca 0.38 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 1s2g s PRO 111 Cb -0.22 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1s2g s PRO 111 CO 0.25 -1.23 -0.01 0.08 0.04 0.00 0.00 177.00 176.13 1s2g s VAL 112 N -1.45 0.59 -0.30 -0.36 1.01 -1.26 -1.84 120.40 116.79 1s2g s VAL 112 Ca 0.75 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 1s2g s VAL 112 Cb -0.35 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1s2g s VAL 112 CO 0.39 0.17 0.58 -0.63 0.00 0.00 0.00 175.10 175.62 1s2g s ILE 113 N 1.87 4.98 -0.13 2.22 -1.09 0.27 -1.61 121.20 127.71 1s2g s ILE 113 Ca 0.03 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1s2g s ILE 113 Cb -0.14 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 1s2g s ILE 113 CO -0.07 -0.10 0.29 -0.22 -1.23 0.00 0.00 174.94 173.61 1s2g s LEU 114 N 2.50 4.30 -0.53 2.97 2.96 0.12 -1.07 118.68 129.92 1s2g s LEU 114 Ca 0.23 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.75 1s2g s LEU 114 Cb -0.15 -2.37 0.15 0.00 0.50 0.00 0.00 46.19 44.32 1s2g s LEU 114 CO 0.11 0.17 0.33 -0.69 -1.32 0.00 0.00 176.35 174.96 1s2g s VAL 115 N 0.05 1.96 0.27 1.68 1.01 0.33 -0.89 120.40 124.81 1s2g s VAL 115 Ca 0.17 -3.26 -0.29 0.00 0.00 0.00 0.00 61.98 58.60 1s2g s VAL 115 Cb -0.13 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 1s2g s VAL 115 CO 0.05 -0.96 1.23 -2.16 0.00 0.00 0.00 175.10 173.26 1s2g s PRO 116 N -0.38 4.47 -0.01 2.72 0.04 -1.26 -1.29 135.00 139.30 1s2g s PRO 116 Ca 0.22 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.30 1s2g s PRO 116 Cb -0.15 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1s2g s PRO 116 CO -0.08 -0.05 -0.11 -0.06 0.04 0.00 0.00 177.00 176.74 1s2g s PHE 117 N -0.79 1.06 -0.02 0.56 0.08 -0.55 -0.42 117.98 117.89 1s2g s PHE 117 Ca 0.49 -0.22 -0.08 0.00 0.12 0.00 0.00 56.93 57.24 1s2g s PHE 117 Cb -0.36 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 1s2g s PHE 117 CO 0.44 -0.04 0.17 -0.08 -0.10 0.00 0.00 175.22 175.60 1s2g s THR 118 N -0.15 0.06 -2.42 0.64 -1.32 -1.26 -1.07 115.64 110.12 1s2g s THR 118 Ca 0.02 -0.48 0.23 0.00 -1.21 0.00 0.00 61.69 60.26 1s2g s THR 118 Cb -0.06 -0.40 0.45 0.00 -1.51 0.00 0.00 72.50 70.98 1s2g s THR 118 CO -0.00 -0.26 1.54 -1.84 -2.21 0.00 0.00 174.62 171.85 1s2g n GLU 119 N 1.87 1.89 -3.24 7.08 0.00 -1.26 -4.28 120.64 122.71 1s2g n GLU 119 Ca -0.20 -1.33 -0.25 0.00 0.00 0.00 0.00 57.16 55.39 1s2g n GLU 119 Cb 0.56 -1.44 -0.06 0.00 0.00 0.00 0.00 31.44 30.50 1s2g n GLU 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1s2g n HIS 120 N 0.57 1.60 0.24 -1.84 8.25 -1.26 -4.94 115.22 117.83 1s2g n HIS 120 Ca 0.17 -3.85 0.18 0.00 -0.26 0.00 0.00 57.72 53.96 1s2g n HIS 120 Cb 0.40 -0.45 0.86 0.00 1.12 0.00 0.00 29.99 31.93 1s2g n HIS 120 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1s2g h PRO 121 N 3.79 0.00 0.00 -0.41 0.11 -2.00 -1.38 132.00 132.12 1s2g h PRO 121 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1s2g h PRO 121 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1s2g h PRO 121 CO 0.64 0.00 -0.75 -0.85 -0.21 0.00 0.00 178.00 176.82 1s2g n GLU 122 N -3.44 0.18 -1.60 1.05 0.00 -1.26 -4.94 120.64 110.64 1s2g n GLU 122 Ca 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 57.16 56.90 1s2g n GLU 122 Cb 0.37 -1.58 0.13 0.00 0.00 0.00 0.00 31.44 30.36 1s2g n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1s2g s LYS 123 N -3.12 1.16 0.45 3.44 1.02 -0.52 -4.98 119.74 117.20 1s2g s LYS 123 Ca 0.07 0.21 -0.23 0.00 0.02 0.00 0.00 55.97 56.04 1s2g s LYS 123 Cb 0.15 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.52 1s2g s LYS 123 CO 0.75 -2.17 0.96 -0.85 -0.92 0.00 0.00 175.35 173.12 1s2g n GLU 124 N -3.73 1.22 -3.48 1.68 0.28 -1.26 -4.95 120.64 110.39 1s2g n GLU 124 Ca 0.07 0.44 -0.43 0.00 -0.16 0.00 0.00 57.16 57.09 1s2g n GLU 124 Cb 0.60 -2.02 -0.09 0.00 1.43 0.00 0.00 31.44 31.36 1s2g n GLU 124 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1s2g s LYS 125 N -2.10 2.83 0.02 3.44 1.02 -1.26 -5.05 119.74 118.64 1s2g s LYS 125 Ca 0.65 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1s2g s LYS 125 Cb -0.53 -3.97 -0.02 0.00 -0.52 0.00 0.00 37.83 32.79 1s2g s LYS 125 CO 0.55 -0.97 -0.09 -1.59 -0.92 0.00 0.00 175.35 172.33 1s2g s LYS 126 N 1.56 0.64 -0.02 1.68 -2.85 -1.26 -0.01 119.74 119.47 1s2g s LYS 126 Ca 0.04 -0.54 -0.07 0.00 -1.00 0.00 0.00 55.97 54.40 1s2g s LYS 126 Cb -0.23 -0.56 0.01 0.00 -2.06 0.00 0.00 37.83 34.98 1s2g s LYS 126 CO 0.05 0.14 0.15 1.41 0.10 0.00 0.00 175.35 177.20 1s2g s MET 127 N -0.87 0.36 0.34 1.78 1.75 -0.30 -4.86 119.30 117.48 1s2g s MET 127 Ca -0.02 -0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.01 1s2g s MET 127 Cb -0.06 0.15 -0.11 0.00 2.84 0.00 0.00 34.83 37.66 1s2g s MET 127 CO 0.00 -0.07 1.39 1.21 -0.65 0.00 0.00 175.02 176.90 1s2g s ASN 128 N -0.75 6.61 0.25 1.11 2.47 -1.26 -3.90 114.94 119.47 1s2g s ASN 128 Ca -0.08 2.81 -0.03 0.00 0.42 0.00 0.00 52.86 55.98 1s2g s ASN 128 Cb -0.05 -2.65 0.50 0.00 -1.45 0.00 0.00 41.25 37.60 1s2g s ASN 128 CO 0.01 -0.67 1.72 0.25 -3.72 0.00 0.00 177.10 174.68 1s2g h LEU 129 N 3.49 0.24 -1.23 3.21 5.85 -1.94 0.18 115.31 125.11 1s2g h LEU 129 Ca -0.49 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1s2g h LEU 129 Cb 1.23 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1s2g h LEU 129 CO 0.67 0.07 0.25 0.24 -0.34 0.00 0.00 178.44 179.32 1s2g h MET 130 N 0.41 0.78 0.04 1.25 2.86 -1.94 0.12 114.93 118.45 1s2g h MET 130 Ca 0.44 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.84 1s2g h MET 130 Cb 0.71 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.23 1s2g h MET 130 CO -0.44 0.62 -0.57 0.82 1.06 0.00 0.00 176.91 178.40 1s2g h ILE 131 N 0.78 1.50 -0.64 -1.22 1.08 -1.70 0.22 117.51 117.53 1s2g h ILE 131 Ca 0.19 -2.21 0.04 0.00 -0.39 0.00 0.00 64.86 62.49 1s2g h ILE 131 Cb 0.11 2.86 -0.04 0.00 -3.07 0.00 0.00 36.82 36.68 1s2g h ILE 131 CO -0.02 0.63 0.42 0.00 -0.69 0.00 0.00 178.15 178.49 1s2g h ALA 132 N 0.22 1.69 0.00 1.87 0.00 -0.68 -1.43 119.26 120.93 1s2g h ALA 132 Ca -0.08 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 1s2g h ALA 132 Cb 1.34 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1s2g h ALA 132 CO 0.11 0.23 -2.03 0.94 0.00 0.00 0.00 179.25 178.50 1s2g n GLN 133 N -4.47 0.66 -0.10 0.00 -0.06 0.39 -4.32 117.38 109.49 1s2g n GLN 133 Ca 0.08 0.13 -0.12 0.00 -2.00 0.00 0.00 57.00 55.09 1s2g n GLN 133 Cb 0.16 -1.65 -0.04 0.00 -4.06 0.00 0.00 30.24 24.65 1s2g n GLN 133 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1s2g h GLY 134 N 3.78 0.65 -2.86 1.69 0.00 -0.27 -3.44 103.07 102.62 1s2g h GLY 134 Ca -0.40 -0.58 -0.51 0.00 0.00 0.00 0.00 47.33 45.84 1s2g h GLY 134 CO 0.05 0.53 0.50 -1.34 0.00 0.00 0.00 176.54 176.28 1s2g s VAL 135 N -4.61 3.04 -0.14 4.60 -7.23 -0.56 -4.81 120.40 110.68 1s2g s VAL 135 Ca -0.13 0.81 0.18 0.00 -1.81 0.00 0.00 61.98 61.03 1s2g s VAL 135 Cb 0.08 -3.43 -0.25 0.00 0.56 0.00 0.00 36.38 33.34 1s2g s VAL 135 CO 0.79 0.02 0.28 0.35 -0.31 0.00 0.00 175.10 176.23 1s2g n THR 136 N -0.35 1.10 -3.76 5.32 -2.24 -0.63 -4.71 114.28 109.01 1s2g n THR 136 Ca 0.07 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 1s2g n THR 136 Cb 0.47 -0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.12 1s2g n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s2g s THR 137 N -2.76 -0.05 -0.10 4.28 2.01 -1.03 -0.59 115.64 117.41 1s2g s THR 137 Ca -0.08 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1s2g s THR 137 Cb 0.08 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 1s2g s THR 137 CO 0.84 0.07 -0.12 -0.51 -0.69 0.00 0.00 174.62 174.21 1s2g s ILE 138 N 1.05 3.17 -0.24 1.82 2.07 -0.77 0.12 121.20 128.41 1s2g s ILE 138 Ca -0.08 -0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1s2g s ILE 138 Cb -0.11 -2.30 0.07 0.00 0.13 0.00 0.00 42.46 40.25 1s2g s ILE 138 CO -0.05 0.55 0.03 -0.63 -1.91 0.00 0.00 174.94 172.94 1s2g s ILE 139 N -0.10 0.91 0.04 2.00 1.01 -0.07 -4.94 121.20 120.06 1s2g s ILE 139 Ca -0.01 -1.02 -0.35 0.00 0.00 0.00 0.00 60.65 59.27 1s2g s ILE 139 Cb -0.14 -1.45 -0.14 0.00 0.01 0.00 0.00 42.46 40.75 1s2g s ILE 139 CO 0.03 -0.34 1.63 -0.67 0.00 0.00 0.00 174.94 175.60 1s2g n ASP 140 N 4.88 2.87 0.04 3.58 4.64 -1.26 -3.99 116.55 127.30 1s2g n ASP 140 Ca -0.07 1.06 -0.10 0.00 -1.38 0.00 0.00 54.79 54.30 1s2g n ASP 140 Cb 0.45 -1.34 0.04 0.00 -1.04 0.00 0.00 41.12 39.22 1s2g n ASP 140 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1s2g h GLY 141 N 6.69 0.50 1.26 0.27 0.00 -0.99 0.14 103.07 110.95 1s2g h GLY 141 Ca -0.46 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.11 1s2g h GLY 141 CO 0.89 0.59 -0.07 3.43 0.00 0.00 0.00 176.54 181.38 1s2g h ASN 142 N 0.33 0.87 0.00 0.19 2.35 -1.89 -3.24 115.58 114.18 1s2g h ASN 142 Ca -0.02 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1s2g h ASN 142 Cb 1.22 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1s2g h ASN 142 CO 0.12 0.97 0.00 0.35 -1.65 0.00 0.00 177.43 177.22 1s2g n THR 143 N -4.17 0.00 -1.32 2.81 -2.24 -1.24 -4.78 114.28 103.35 1s2g n THR 143 Ca 0.02 -0.39 0.03 0.00 -2.27 0.00 0.00 64.05 61.44 1s2g n THR 143 Cb 0.36 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.67 1s2g n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s2g n GLU 144 N -0.65 0.77 -0.27 -0.78 1.02 0.42 -4.85 120.64 116.31 1s2g n GLU 144 Ca 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 57.16 55.60 1s2g n GLU 144 Cb 0.01 -0.89 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 1s2g n GLU 144 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1s2g h PHE 145 N 0.00 -0.85 0.00 -0.32 3.04 -1.38 -1.15 116.94 116.28 1s2g h PHE 145 Ca 0.00 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1s2g h PHE 145 Cb 1.11 0.48 0.00 0.00 2.56 0.00 0.00 35.95 40.10 1s2g h PHE 145 CO 0.04 -0.38 0.32 0.93 -2.02 0.00 0.00 178.31 177.20 1s2g h GLU 146 N -0.08 0.00 0.00 1.11 5.08 -1.89 -2.15 114.58 116.65 1s2g h GLU 146 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1s2g h GLU 146 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s2g h GLU 146 CO -0.79 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 177.58 1s2g n LYS 147 N -2.63 0.16 0.27 2.33 2.85 -0.44 -1.86 118.16 118.85 1s2g n LYS 147 Ca -0.02 0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.50 1s2g n LYS 147 Cb 0.36 -1.50 0.77 0.00 -0.65 0.00 0.00 35.03 34.01 1s2g n LYS 147 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1s2g h LEU 148 N 0.00 0.00 -1.26 -5.58 3.38 -1.59 0.52 115.31 110.78 1s2g h LEU 148 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s2g h LEU 148 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1s2g h LEU 148 CO 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 178.44 178.54 1s2g h ALA 149 N 1.94 1.01 0.00 1.53 0.00 -1.50 -3.34 119.26 118.90 1s2g h ALA 149 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s2g h ALA 149 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1s2g h ALA 149 CO 0.01 0.06 -0.68 -0.25 0.00 0.00 0.00 179.25 178.39 1s2g n ASP 150 N -3.16 3.39 -4.62 0.00 8.00 0.06 -3.50 116.55 116.72 1s2g n ASP 150 Ca 0.01 -0.14 -0.45 0.00 0.71 0.00 0.00 54.79 54.92 1s2g n ASP 150 Cb 0.35 0.95 -0.02 0.00 -0.02 0.00 0.00 41.12 42.38 1s2g n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2g n TYR 151 N -1.29 1.62 -2.65 1.24 9.36 0.16 -4.85 117.16 120.75 1s2g n TYR 151 Ca 0.00 0.62 -0.42 0.00 3.32 0.00 0.00 57.90 61.42 1s2g n TYR 151 Cb 0.00 -2.32 -0.02 0.00 -0.63 0.00 0.00 39.34 36.37 1s2g n TYR 151 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1s2g s ASN 152 N -0.26 6.62 0.00 2.98 3.84 -1.26 -4.80 114.94 122.05 1s2g s ASN 152 Ca 0.62 -1.83 0.16 0.00 0.21 0.00 0.00 52.86 52.02 1s2g s ASN 152 Cb -0.69 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.40 1s2g s ASN 152 CO 0.57 -1.32 1.37 0.49 -2.79 0.00 0.00 177.10 175.41 1s2g n PHE 153 N 8.18 0.00 0.11 0.43 3.72 -1.26 -0.35 117.46 128.29 1s2g n PHE 153 Ca 0.34 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.72 1s2g n PHE 153 Cb 0.49 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 1s2g n PHE 153 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s2g h ASN 154 N 0.00 0.00 0.00 4.37 2.35 -1.88 -3.35 115.58 117.07 1s2g h ASN 154 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s2g h ASN 154 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1s2g h ASN 154 CO 0.00 0.73 -0.19 -0.62 -1.65 0.00 0.00 177.43 175.70 1s2g n GLU 155 N -3.41 3.71 -3.73 0.81 1.02 -0.84 -4.90 120.64 113.30 1s2g n GLU 155 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.91 1s2g n GLU 155 Cb 0.78 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1s2g n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s2g n PRO 157 N -2.79 1.96 -2.36 0.00 -0.02 -1.26 -4.92 135.00 125.60 1s2g n PRO 157 Ca -0.26 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1s2g n PRO 157 Cb 0.66 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1s2g n PRO 157 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1s2g s SER 158 N 0.21 6.04 -0.44 2.55 0.01 -1.26 -4.80 113.70 116.01 1s2g s SER 158 Ca 0.68 2.11 0.06 0.00 1.31 0.00 0.00 55.95 60.11 1s2g s SER 158 Cb -0.66 -2.58 0.18 0.00 0.21 0.00 0.00 66.02 63.17 1s2g s SER 158 CO 0.51 -0.99 0.56 0.21 0.41 0.00 0.00 173.24 173.93 1s2g s ASN 159 N -1.76 -0.39 0.39 2.44 2.47 0.24 -4.96 114.94 113.38 1s2g s ASN 159 Ca 0.69 -1.71 -0.24 0.00 0.42 0.00 0.00 52.86 52.01 1s2g s ASN 159 Cb -0.22 1.21 -0.12 0.00 -1.45 0.00 0.00 41.25 40.67 1s2g s ASN 159 CO 0.26 -0.15 0.79 -2.65 -3.72 0.00 0.00 177.10 171.63 1s2g n PRO 160 N 3.56 0.94 -2.17 0.43 -0.02 -1.24 -1.84 135.00 134.65 1s2g n PRO 160 Ca 0.17 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1s2g n PRO 160 Cb 0.52 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 1s2g n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s2g s VAL 161 N -1.30 3.33 -0.00 -1.45 1.01 -1.26 -4.79 120.40 115.93 1s2g s VAL 161 Ca 0.63 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 1s2g s VAL 161 Cb -0.62 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1s2g s VAL 161 CO 0.58 0.07 0.30 -0.13 0.00 0.00 0.00 175.10 175.91 1s2g s ARG 162 N 1.20 0.68 0.00 2.72 0.52 -1.26 -4.89 118.95 117.92 1s2g s ARG 162 Ca 0.65 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 1s2g s ARG 162 Cb -0.36 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.40 1s2g s ARG 162 CO 0.30 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1s2g n GLY 163 N 1.17 0.66 3.53 -3.53 0.00 -1.26 -5.06 105.19 100.70 1s2g n GLY 163 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1s2g n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s2g s TYR 164 N -2.46 2.93 0.43 1.61 2.02 -1.26 -4.82 117.35 115.80 1s2g s TYR 164 Ca 0.00 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.33 1s2g s TYR 164 Cb 0.00 -1.78 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 1s2g s TYR 164 CO 0.00 0.17 1.08 0.20 -1.57 0.00 0.00 175.55 175.43 1s2g s GLY 165 N -0.39 2.71 -0.16 0.71 0.00 0.98 -4.79 107.32 106.38 1s2g s GLY 165 Ca 0.05 0.75 -0.02 0.00 0.00 0.00 0.00 44.72 45.50 1s2g s GLY 165 CO 0.02 1.16 -0.08 -0.42 0.00 0.00 0.00 173.10 173.79 1s2g s ILE 166 N -1.69 3.40 -1.37 0.90 -1.09 -1.26 -1.15 121.20 118.93 1s2g s ILE 166 Ca 0.61 -0.52 0.11 0.00 -2.23 0.00 0.00 60.65 58.62 1s2g s ILE 166 Cb -0.23 -2.48 0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1s2g s ILE 166 CO 0.28 0.48 0.85 0.00 -1.23 0.00 0.00 174.94 175.32