#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9f s ILE 2 N 0.00 1.94 -0.09 1.12 1.01 -1.26 -4.32 121.20 119.60 1s9f s ILE 2 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1s9f s ILE 2 Cb 0.00 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1s9f s ILE 2 CO 0.00 0.53 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 1s9f s VAL 3 N 0.85 2.64 -0.18 2.92 1.01 -0.02 -1.89 120.40 125.73 1s9f s VAL 3 Ca -0.07 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1s9f s VAL 3 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1s9f s VAL 3 CO -0.02 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.27 1s9f s LEU 4 N -0.01 2.41 -0.13 3.92 0.20 0.22 -2.02 118.68 123.27 1s9f s LEU 4 Ca -0.06 -0.54 -0.04 0.00 0.69 0.00 0.00 54.13 54.19 1s9f s LEU 4 Cb -0.15 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 1s9f s LEU 4 CO 0.05 0.01 -0.01 0.12 -0.29 0.00 0.00 176.35 176.23 1s9f s PHE 5 N 1.23 3.10 -0.12 5.38 5.36 0.11 -0.02 117.98 133.02 1s9f s PHE 5 Ca 0.03 -0.06 0.01 0.00 -0.96 0.00 0.00 56.93 55.95 1s9f s PHE 5 Cb -0.14 -1.91 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1s9f s PHE 5 CO -0.07 0.18 -0.17 0.08 -1.46 0.00 0.00 175.22 173.78 1s9f s VAL 6 N -0.10 2.70 -0.24 3.12 1.01 0.15 -0.70 120.40 126.33 1s9f s VAL 6 Ca 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1s9f s VAL 6 Cb -0.13 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.22 1s9f s VAL 6 CO 0.02 0.54 0.05 -0.62 0.00 0.00 0.00 175.10 175.09 1s9f s ASP 7 N 0.38 3.43 0.35 3.32 3.68 -0.10 -1.75 116.67 125.98 1s9f s ASP 7 Ca -0.13 -1.17 -0.29 0.00 2.13 0.00 0.00 52.55 53.09 1s9f s ASP 7 Cb -0.17 -0.73 -0.11 0.00 -1.45 0.00 0.00 42.92 40.46 1s9f s ASP 7 CO 0.06 -0.35 1.54 -0.36 0.13 0.00 0.00 175.17 176.20 1s9f s PHE 8 N 1.74 2.63 0.12 -5.34 0.08 -0.73 -0.65 117.98 115.83 1s9f s PHE 8 Ca 0.03 1.00 -0.30 0.00 0.12 0.00 0.00 56.93 57.78 1s9f s PHE 8 Cb -0.17 -4.06 -0.06 0.00 -0.57 0.00 0.00 43.02 38.16 1s9f s PHE 8 CO -0.16 -3.29 1.06 -0.51 -0.10 0.00 0.00 175.22 172.22 1s9f s ASP 9 N 0.12 7.33 -0.30 1.36 1.01 -0.94 -4.00 116.67 121.24 1s9f s ASP 9 Ca 0.57 1.93 -0.02 0.00 0.71 0.00 0.00 52.55 55.75 1s9f s ASP 9 Cb -0.47 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 40.87 1s9f s ASP 9 CO 0.58 -0.21 0.04 0.00 0.21 0.00 0.00 175.17 175.78 1s9f n TYR 10 N 2.91 -0.27 -0.15 4.23 0.18 -1.26 -4.51 117.16 118.29 1s9f n TYR 10 Ca 0.04 0.10 -0.04 0.00 1.88 0.00 0.00 57.90 59.88 1s9f n TYR 10 Cb 0.48 -0.58 -0.04 0.00 -0.38 0.00 0.00 39.34 38.82 1s9f n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s9f n PHE 11 N -1.76 -0.16 -0.11 -3.48 7.35 -1.26 -0.71 117.46 117.33 1s9f n PHE 11 Ca -0.06 0.44 -0.06 0.00 -0.76 0.00 0.00 57.45 57.01 1s9f n PHE 11 Cb 0.14 -0.46 0.02 0.00 0.35 0.00 0.00 39.48 39.53 1s9f n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1s9f h TYR 12 N 0.00 0.29 -0.57 -5.13 0.05 -1.96 -0.63 116.97 109.02 1s9f h TYR 12 Ca 0.06 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1s9f h TYR 12 Cb 0.15 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1s9f h TYR 12 CO -0.72 0.14 0.07 0.00 -1.05 0.00 0.00 178.16 176.59 1s9f h ALA 13 N 1.22 1.05 -0.46 3.88 0.00 -1.73 -2.51 119.26 120.71 1s9f h ALA 13 Ca 0.17 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1s9f h ALA 13 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s9f h ALA 13 CO -0.14 0.60 -0.14 0.37 0.00 0.00 0.00 179.25 179.94 1s9f h GLN 14 N 0.87 0.86 -0.50 0.00 4.15 -0.38 -2.00 115.11 118.11 1s9f h GLN 14 Ca 0.17 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1s9f h GLN 14 Cb 0.41 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1s9f h GLN 14 CO 0.01 0.94 0.31 0.28 -1.93 0.00 0.00 178.83 178.45 1s9f h VAL 15 N 0.77 1.15 -0.50 2.39 2.07 -0.91 -1.40 116.25 119.81 1s9f h VAL 15 Ca 0.12 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1s9f h VAL 15 Cb 0.65 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1s9f h VAL 15 CO 0.05 0.15 0.28 -0.33 0.02 0.00 0.00 177.57 177.73 1s9f h GLU 16 N 0.67 0.69 -0.20 1.57 4.39 -1.20 -1.35 114.58 119.15 1s9f h GLU 16 Ca 0.18 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1s9f h GLU 16 Cb -0.03 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1s9f h GLU 16 CO -0.04 0.51 -0.38 0.93 -1.16 0.00 0.00 179.01 178.87 1s9f h GLU 17 N 0.70 0.45 -0.33 2.33 5.08 -0.63 0.03 114.58 122.21 1s9f h GLU 17 Ca 0.18 -0.22 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1s9f h GLU 17 Cb 0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s9f h GLU 17 CO -0.03 0.77 -0.48 0.28 -1.00 0.00 0.00 179.01 178.55 1s9f h VAL 18 N 0.38 1.27 0.00 3.13 2.07 -0.68 -1.99 116.25 120.43 1s9f h VAL 18 Ca 0.04 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.83 1s9f h VAL 18 Cb 0.84 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1s9f h VAL 18 CO 0.07 0.55 -0.31 -0.07 0.02 0.00 0.00 177.57 177.83 1s9f h LEU 19 N 0.71 0.00 -6.34 2.57 3.38 -1.09 -3.37 115.31 111.17 1s9f h LEU 19 Ca 0.03 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.49 1s9f h LEU 19 Cb 1.08 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.48 1s9f h LEU 19 CO 0.11 0.31 -0.85 0.21 0.09 0.00 0.00 178.44 178.31 1s9f s ASN 20 N -6.34 1.68 0.27 -0.43 3.84 -0.02 -5.00 114.94 108.94 1s9f s ASN 20 Ca 0.00 -2.42 0.16 0.00 0.21 0.00 0.00 52.86 50.82 1s9f s ASN 20 Cb 0.11 -0.08 0.89 0.00 -0.55 0.00 0.00 41.25 41.61 1s9f s ASN 20 CO 0.67 -0.22 1.47 -2.65 -2.79 0.00 0.00 177.10 173.57 1s9f n PRO 21 N 3.50 0.11 0.00 0.43 -0.02 -0.76 -1.49 135.00 136.77 1s9f n PRO 21 Ca 0.20 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.34 1s9f n PRO 21 Cb 0.44 -1.93 0.33 0.00 -0.02 0.00 0.00 33.50 32.32 1s9f n PRO 21 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s9f n SER 22 N -2.08 0.00 0.12 2.55 3.41 -1.26 -2.09 113.62 114.27 1s9f n SER 22 Ca -0.01 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1s9f n SER 22 Cb 0.10 -0.37 0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1s9f n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s9f h LEU 23 N 0.00 0.00 -9.90 1.04 3.38 -1.57 -3.47 115.31 104.79 1s9f h LEU 23 Ca 0.00 -0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.40 1s9f h LEU 23 Cb 0.17 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.04 1s9f h LEU 23 CO 0.00 0.01 0.72 0.29 0.09 0.00 0.00 178.44 179.55 1s9f n LYS 24 N -2.71 2.54 -0.78 1.13 5.02 -0.89 -1.94 118.16 120.53 1s9f n LYS 24 Ca 0.01 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1s9f n LYS 24 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1s9f n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s9f n GLY 25 N 0.52 0.94 3.43 0.72 0.00 -1.26 -5.02 105.19 104.52 1s9f n GLY 25 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1s9f n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9f s LYS 26 N -0.20 1.55 0.06 1.61 1.02 -0.82 -5.10 119.74 117.87 1s9f s LYS 26 Ca 0.00 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1s9f s LYS 26 Cb 0.00 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 1s9f s LYS 26 CO 0.00 0.37 1.17 -1.25 -0.92 0.00 0.00 175.35 174.72 1s9f s PRO 27 N -2.96 4.45 -0.07 -1.68 0.04 -1.26 -4.83 135.00 128.69 1s9f s PRO 27 Ca 0.23 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1s9f s PRO 27 Cb -0.07 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1s9f s PRO 27 CO 0.11 -0.23 -0.19 0.08 0.04 0.00 0.00 177.00 176.81 1s9f s VAL 28 N 1.02 1.66 -0.15 -0.36 1.01 -1.26 -1.02 120.40 121.30 1s9f s VAL 28 Ca 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1s9f s VAL 28 Cb -0.28 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1s9f s VAL 28 CO 0.29 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 175.06 1s9f s VAL 29 N 0.25 1.43 -0.26 2.92 1.01 0.18 -1.24 120.40 124.70 1s9f s VAL 29 Ca -0.11 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1s9f s VAL 29 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1s9f s VAL 29 CO 0.05 0.35 0.54 -0.69 0.00 0.00 0.00 175.10 175.35 1s9f s VAL 30 N 1.53 5.05 0.14 2.92 1.01 0.18 -1.08 120.40 130.16 1s9f s VAL 30 Ca 0.03 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.01 1s9f s VAL 30 Cb -0.14 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1s9f s VAL 30 CO -0.09 0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.00 1s9f s VAL 32 N -1.47 4.14 -0.13 0.00 1.01 0.86 -0.59 120.40 124.23 1s9f s VAL 32 Ca 0.24 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 59.92 1s9f s VAL 32 Cb -0.10 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1s9f s VAL 32 CO 0.15 -0.80 1.11 -0.36 0.00 0.00 0.00 175.10 175.21 1s9f s PHE 33 N 1.09 3.28 0.03 5.22 0.08 -1.26 -1.96 117.98 124.46 1s9f s PHE 33 Ca 0.08 1.37 -0.25 0.00 0.12 0.00 0.00 56.93 58.25 1s9f s PHE 33 Cb -0.24 -3.32 -0.18 0.00 -0.57 0.00 0.00 43.02 38.71 1s9f s PHE 33 CO -0.02 -0.81 1.44 0.77 -0.10 0.00 0.00 175.22 176.49 1s9f h SER 34 N 7.44 -0.12 0.00 1.36 0.02 -1.29 -3.48 113.55 117.48 1s9f h SER 34 Ca -0.29 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1s9f h SER 34 Cb 1.13 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1s9f h SER 34 CO 0.91 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.36 1s9f n GLY 35 N -0.43 0.56 0.16 -3.77 0.00 -1.26 -4.75 105.19 95.71 1s9f n GLY 35 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1s9f n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s9f h ARG 36 N 3.28 0.00 -2.45 1.61 3.08 -1.86 -3.46 114.38 114.59 1s9f h ARG 36 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1s9f h ARG 36 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1s9f h ARG 36 CO 0.00 0.48 0.68 -0.59 -1.07 0.00 0.00 179.97 179.48 1s9f s PHE 37 N -3.71 0.07 -0.18 3.04 -0.12 -1.26 -4.99 117.98 110.83 1s9f s PHE 37 Ca -0.01 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.19 1s9f s PHE 37 Cb 0.12 0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 43.13 1s9f s PHE 37 CO 0.73 -0.74 1.97 -2.00 -0.05 0.00 0.00 175.22 175.12 1s9f s GLU 38 N -2.06 3.53 -0.18 1.99 2.56 -1.26 -2.10 118.70 121.17 1s9f s GLU 38 Ca 0.25 1.98 0.00 0.00 0.00 0.00 0.00 54.97 57.20 1s9f s GLU 38 Cb -0.02 -4.23 0.00 0.00 2.00 0.00 0.00 34.13 31.88 1s9f s GLU 38 CO 0.04 -1.64 0.00 -0.25 -0.56 0.00 0.00 175.26 172.85 1s9f n ASP 39 N 9.86 -3.26 -4.78 -1.70 8.00 -1.26 -5.03 116.55 118.39 1s9f n ASP 39 Ca 0.24 0.04 -0.37 0.00 0.71 0.00 0.00 54.79 55.42 1s9f n ASP 39 Cb 0.44 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 1s9f n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s9f s SER 40 N -2.80 6.37 0.00 -2.24 1.04 -0.89 -4.02 113.70 111.16 1s9f s SER 40 Ca 0.00 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1s9f s SER 40 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1s9f s SER 40 CO 0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1s9f n GLY 41 N 0.34 0.59 3.22 7.32 0.00 -1.26 -0.76 105.19 114.64 1s9f n GLY 41 Ca 0.07 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 1s9f n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9f s ALA 42 N -1.51 1.24 -0.04 4.61 0.00 -0.83 -1.69 121.76 123.53 1s9f s ALA 42 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 1s9f s ALA 42 Cb 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1s9f s ALA 42 CO 0.00 -0.34 0.81 0.08 0.00 0.00 0.00 175.76 176.30 1s9f s VAL 43 N -3.72 4.98 -0.09 0.00 1.01 -0.54 -0.10 120.40 121.94 1s9f s VAL 43 Ca 0.23 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.70 1s9f s VAL 43 Cb 0.06 -4.15 -0.28 0.00 0.00 0.00 0.00 36.38 32.01 1s9f s VAL 43 CO 0.03 0.22 0.67 0.00 0.00 0.00 0.00 175.10 176.01 1s9f h ALA 44 N 6.78 0.08 -2.12 5.51 0.00 -1.28 0.24 119.26 128.45 1s9f h ALA 44 Ca -0.41 -0.94 0.23 0.00 0.00 0.00 0.00 54.91 53.80 1s9f h ALA 44 Cb 1.21 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 1s9f h ALA 44 CO 0.75 0.64 0.65 -0.08 0.00 0.00 0.00 179.25 181.22 1s9f s THR 45 N -2.45 0.00 0.07 0.00 -1.32 -1.18 -4.48 115.64 106.28 1s9f s THR 45 Ca -0.18 -0.47 -0.17 0.00 -1.21 0.00 0.00 61.69 59.67 1s9f s THR 45 Cb 0.03 -2.36 0.03 0.00 -1.51 0.00 0.00 72.50 68.70 1s9f s THR 45 CO 0.78 0.00 0.38 0.00 -2.21 0.00 0.00 174.62 173.57 1s9f s ALA 46 N -2.59 -0.91 0.91 11.08 0.00 -1.26 -0.65 121.76 128.35 1s9f s ALA 46 Ca 0.17 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1s9f s ALA 46 Cb 0.00 0.44 0.14 0.00 0.00 0.00 0.00 23.12 23.70 1s9f s ALA 46 CO 0.01 -0.50 1.12 0.54 0.00 0.00 0.00 175.76 176.93 1s9f s ASN 47 N -2.26 3.44 0.51 0.00 2.20 -0.37 -4.79 114.94 113.66 1s9f s ASN 47 Ca -0.03 1.10 0.17 0.00 -0.94 0.00 0.00 52.86 53.17 1s9f s ASN 47 Cb 0.00 -1.73 1.26 0.00 -2.00 0.00 0.00 41.25 38.78 1s9f s ASN 47 CO -0.05 -2.61 2.11 1.88 -2.94 0.00 0.00 177.10 175.49 1s9f h TYR 48 N -1.54 0.00 -0.65 1.54 -1.99 -1.96 -1.80 116.97 110.59 1s9f h TYR 48 Ca -0.51 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.15 1s9f h TYR 48 Cb 1.32 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.02 1s9f h TYR 48 CO 0.33 0.06 0.14 1.49 -0.00 0.00 0.00 178.16 180.17 1s9f h GLU 49 N 0.00 1.03 -0.14 4.88 4.81 -1.92 -2.34 114.58 120.90 1s9f h GLU 49 Ca -0.00 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1s9f h GLU 49 Cb 0.10 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1s9f h GLU 49 CO 0.01 0.92 -0.48 0.00 -0.73 0.00 0.00 179.01 178.74 1s9f h ALA 50 N 1.17 0.93 -0.13 2.92 0.00 -1.65 -3.01 119.26 119.49 1s9f h ALA 50 Ca 0.20 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1s9f h ALA 50 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1s9f h ALA 50 CO 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.78 1s9f h ARG 51 N 0.28 0.20 0.00 0.00 3.08 -0.96 -1.99 114.38 114.98 1s9f h ARG 51 Ca 0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1s9f h ARG 51 Cb 0.94 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1s9f h ARG 51 CO 0.08 0.33 -0.00 0.87 -1.07 0.00 0.00 179.97 180.18 1s9f h LYS 52 N 0.19 0.00 -0.23 0.04 1.57 -1.29 0.78 116.57 117.63 1s9f h LYS 52 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1s9f h LYS 52 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1s9f h LYS 52 CO 0.02 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.09 1s9f n PHE 53 N -4.40 0.30 -0.45 -1.35 3.72 -0.78 -4.90 117.46 109.59 1s9f n PHE 53 Ca -0.03 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1s9f n PHE 53 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1s9f n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s9f n GLY 54 N 1.09 0.75 3.70 1.37 0.00 0.27 -4.93 105.19 107.44 1s9f n GLY 54 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1s9f n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9f s VAL 55 N -2.54 4.90 0.20 1.61 1.01 -1.01 -4.98 120.40 119.59 1s9f s VAL 55 Ca 0.00 1.85 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 1s9f s VAL 55 Cb 0.00 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1s9f s VAL 55 CO 0.00 0.13 0.45 -1.59 0.00 0.00 0.00 175.10 174.09 1s9f s LYS 56 N 1.31 1.37 0.33 2.72 0.00 -1.26 -3.57 119.74 120.63 1s9f s LYS 56 Ca 0.46 -1.06 -0.27 0.00 0.00 0.00 0.00 55.97 55.09 1s9f s LYS 56 Cb -0.19 0.47 -0.13 0.00 0.00 0.00 0.00 37.83 37.98 1s9f s LYS 56 CO 0.21 -0.56 1.11 0.00 0.00 0.00 0.00 175.35 176.12 1s9f n ALA 57 N -0.32 0.38 0.00 0.59 0.00 -1.26 -2.88 120.51 117.03 1s9f n ALA 57 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1s9f n ALA 57 Cb 0.62 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1s9f n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9f n GLY 58 N 1.05 2.66 3.85 0.00 0.00 0.83 -4.98 105.19 108.60 1s9f n GLY 58 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1s9f n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s9f s ILE 59 N -2.29 4.67 0.44 -0.61 -4.36 -1.14 -4.72 121.20 113.21 1s9f s ILE 59 Ca 0.00 0.97 -0.24 0.00 -0.26 0.00 0.00 60.65 61.12 1s9f s ILE 59 Cb 0.00 -3.63 -0.09 0.00 1.25 0.00 0.00 42.46 39.99 1s9f s ILE 59 CO 0.00 -0.16 1.20 -2.65 0.24 0.00 0.00 174.94 173.57 1s9f n PRO 60 N -0.29 1.71 -0.36 0.37 -0.02 -1.26 -1.47 135.00 133.67 1s9f n PRO 60 Ca 0.03 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1s9f n PRO 60 Cb 0.53 -2.31 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 1s9f n PRO 60 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1s9f h ILE 61 N 1.80 1.20 0.00 4.25 2.04 -1.55 -1.16 117.51 124.09 1s9f h ILE 61 Ca -0.47 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1s9f h ILE 61 Cb 1.31 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1s9f h ILE 61 CO 0.58 0.23 -0.11 -0.37 0.00 0.00 0.00 178.15 178.48 1s9f h VAL 62 N 1.27 1.03 -0.10 1.67 -1.51 -1.82 0.23 116.25 117.01 1s9f h VAL 62 Ca 0.37 -0.39 -0.21 0.00 -1.23 0.00 0.00 66.70 65.24 1s9f h VAL 62 Cb -0.07 1.21 0.01 0.00 -2.13 0.00 0.00 31.29 30.31 1s9f h VAL 62 CO -0.10 0.11 -0.80 -0.08 -1.23 0.00 0.00 177.57 175.46 1s9f h GLU 63 N 0.00 0.62 -0.51 5.19 4.81 -1.59 -1.56 114.58 121.54 1s9f h GLU 63 Ca -0.00 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 1s9f h GLU 63 Cb 0.21 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1s9f h GLU 63 CO 0.01 1.15 0.20 0.00 -0.73 0.00 0.00 179.01 179.65 1s9f h ALA 64 N 0.69 0.67 -0.05 2.92 0.00 -0.60 -2.45 119.26 120.44 1s9f h ALA 64 Ca -0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1s9f h ALA 64 Cb 1.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1s9f h ALA 64 CO 0.15 0.28 -0.27 0.87 0.00 0.00 0.00 179.25 180.29 1s9f h LYS 65 N 0.69 0.08 -0.26 0.00 1.57 -0.93 0.10 116.57 117.83 1s9f h LYS 65 Ca 0.17 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1s9f h LYS 65 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1s9f h LYS 65 CO -0.01 0.35 0.09 -0.22 -0.57 0.00 0.00 179.45 179.08 1s9f h LYS 66 N 0.07 0.40 0.00 3.15 1.63 -0.83 -2.03 116.57 118.96 1s9f h LYS 66 Ca 0.01 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 1s9f h LYS 66 Cb 0.52 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1s9f h LYS 66 CO 0.04 0.45 -0.99 -0.84 -3.45 0.00 0.00 179.45 174.66 1s9f h ILE 67 N 0.26 0.24 -1.97 2.00 3.07 -1.18 -3.40 117.51 116.54 1s9f h ILE 67 Ca 0.08 -1.44 -0.53 0.00 1.55 0.00 0.00 64.86 64.52 1s9f h ILE 67 Cb 0.21 1.81 -0.39 0.00 -0.27 0.00 0.00 36.82 38.19 1s9f h ILE 67 CO -0.00 0.14 -1.13 0.18 -1.05 0.00 0.00 178.15 176.29 1s9f n LEU 68 N -2.84 0.33 0.29 0.16 4.77 0.33 -4.98 117.00 115.06 1s9f n LEU 68 Ca -0.03 -4.77 0.15 0.00 -0.03 0.00 0.00 56.01 51.33 1s9f n LEU 68 Cb 0.66 0.67 0.89 0.00 -2.33 0.00 0.00 43.42 43.31 1s9f n LEU 68 CO 0.40 2.14 1.12 1.55 -1.33 0.00 0.00 177.39 181.28 1s9f h PRO 69 N 3.68 0.00 -0.59 3.23 0.13 -1.54 -2.84 132.00 134.07 1s9f h PRO 69 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1s9f h PRO 69 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1s9f h PRO 69 CO 0.47 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.33 1s9f n ASN 70 N -3.91 5.73 -4.68 1.44 5.03 -1.26 -4.95 115.26 112.67 1s9f n ASN 70 Ca -0.03 -2.91 -0.29 0.00 0.87 0.00 0.00 54.58 52.23 1s9f n ASN 70 Cb 0.09 -0.68 0.12 0.00 -1.02 0.00 0.00 39.78 38.29 1s9f n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s9f s ALA 71 N -2.72 2.62 -0.30 5.41 0.00 -1.07 -4.92 121.76 120.78 1s9f s ALA 71 Ca 0.55 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 1s9f s ALA 71 Cb 0.41 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1s9f s ALA 71 CO 0.17 -1.84 0.41 0.08 0.00 0.00 0.00 175.76 174.57 1s9f s VAL 72 N -3.62 5.13 -0.29 0.00 1.01 -0.19 -4.99 120.40 117.46 1s9f s VAL 72 Ca 0.65 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.00 1s9f s VAL 72 Cb -0.09 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1s9f s VAL 72 CO 0.49 0.04 0.17 -0.31 0.00 0.00 0.00 175.10 175.49 1s9f s TYR 73 N 2.14 3.19 0.06 5.22 2.02 -1.26 -0.64 117.35 128.08 1s9f s TYR 73 Ca 0.16 -0.18 0.09 0.00 -0.37 0.00 0.00 57.07 56.77 1s9f s TYR 73 Cb -0.16 -2.37 -0.03 0.00 -0.40 0.00 0.00 41.96 39.00 1s9f s TYR 73 CO 0.11 -0.29 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.06 1s9f s LEU 74 N 1.70 2.40 0.48 -1.29 1.43 -0.24 -4.98 118.68 118.18 1s9f s LEU 74 Ca 0.06 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 1s9f s LEU 74 Cb -0.16 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 1s9f s LEU 74 CO 0.09 0.24 1.02 -2.16 0.23 0.00 0.00 176.35 175.76 1s9f s PRO 75 N -1.53 3.88 0.09 1.29 0.04 -1.26 0.38 135.00 137.88 1s9f s PRO 75 Ca 0.14 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 1s9f s PRO 75 Cb -0.10 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 1s9f s PRO 75 CO 0.05 -0.36 1.28 1.41 0.04 0.00 0.00 177.00 179.42 1s9f s MET 76 N -3.29 4.39 -0.77 4.56 1.75 0.25 -4.70 119.30 121.49 1s9f s MET 76 Ca 0.66 1.90 0.03 0.00 -1.25 0.00 0.00 55.69 57.02 1s9f s MET 76 Cb -0.14 -3.30 0.23 0.00 2.84 0.00 0.00 34.83 34.46 1s9f s MET 76 CO 0.20 -0.33 0.80 0.54 -0.65 0.00 0.00 175.02 175.58 1s9f n ARG 77 N 3.89 2.67 -0.29 4.11 1.74 -1.26 -4.95 116.66 122.57 1s9f n ARG 77 Ca 0.10 -4.58 0.08 0.00 -0.77 0.00 0.00 57.85 52.68 1s9f n ARG 77 Cb 0.45 -2.33 0.24 0.00 -1.02 0.00 0.00 32.46 29.79 1s9f n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s9f h LYS 78 N 4.97 0.53 -1.01 5.56 1.63 -1.99 -1.62 116.57 124.64 1s9f h LYS 78 Ca 0.18 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.99 1s9f h LYS 78 Cb 0.70 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.15 1s9f h LYS 78 CO 0.89 0.35 0.66 0.93 -3.45 0.00 0.00 179.45 178.83 1s9f h GLU 79 N 0.55 1.23 0.20 1.90 3.07 -1.99 0.98 114.58 120.52 1s9f h GLU 79 Ca 0.48 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.25 1s9f h GLU 79 Cb 0.74 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1s9f h GLU 79 CO -0.41 0.81 -0.10 0.28 -1.40 0.00 0.00 179.01 178.20 1s9f h VAL 80 N 1.27 0.89 -0.75 3.13 2.07 -1.74 -2.25 116.25 118.87 1s9f h VAL 80 Ca 0.41 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1s9f h VAL 80 Cb 0.02 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1s9f h VAL 80 CO -0.13 0.12 0.49 1.88 0.02 0.00 0.00 177.57 179.95 1s9f h TYR 81 N -0.53 0.87 -0.41 1.57 0.05 -1.04 -1.51 116.97 115.96 1s9f h TYR 81 Ca -0.03 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1s9f h TYR 81 Cb 0.40 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1s9f h TYR 81 CO 0.01 0.50 -0.21 0.37 -1.05 0.00 0.00 178.16 177.78 1s9f h GLN 82 N 0.90 0.81 -0.30 4.88 5.75 -0.74 -0.21 115.11 126.20 1s9f h GLN 82 Ca 0.30 -0.32 -0.11 0.00 -0.15 0.00 0.00 58.65 58.37 1s9f h GLN 82 Cb 0.07 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1s9f h GLN 82 CO -0.09 0.95 -0.24 1.96 -2.65 0.00 0.00 178.83 178.76 1s9f h GLN 83 N 0.71 0.69 -0.67 1.69 4.20 -0.76 -0.55 115.11 120.42 1s9f h GLN 83 Ca 0.10 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1s9f h GLN 83 Cb 0.73 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1s9f h GLN 83 CO 0.06 0.95 0.29 0.28 -0.67 0.00 0.00 178.83 179.74 1s9f h VAL 84 N 0.43 1.23 0.15 -0.54 2.07 -1.22 -2.53 116.25 115.84 1s9f h VAL 84 Ca 0.05 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1s9f h VAL 84 Cb 0.80 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1s9f h VAL 84 CO 0.06 0.28 -0.09 -1.28 0.02 0.00 0.00 177.57 176.56 1s9f h SER 85 N 0.94 -0.23 -0.75 0.57 0.87 -0.86 -2.03 113.55 112.06 1s9f h SER 85 Ca 0.23 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 1s9f h SER 85 Cb 0.17 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1s9f h SER 85 CO -0.02 -0.15 0.49 0.77 -0.53 0.00 0.00 176.83 177.39 1s9f h SER 86 N -0.23 0.66 -0.60 6.23 4.64 -0.96 0.14 113.55 123.43 1s9f h SER 86 Ca -0.01 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1s9f h SER 86 Cb 0.20 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1s9f h SER 86 CO 0.01 0.41 0.02 0.03 -0.87 0.00 0.00 176.83 176.43 1s9f h ARG 87 N 0.74 1.05 -0.29 4.77 3.08 -1.11 -0.87 114.38 121.74 1s9f h ARG 87 Ca 0.33 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1s9f h ARG 87 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1s9f h ARG 87 CO -0.12 1.02 -0.26 0.82 -1.07 0.00 0.00 179.97 180.36 1s9f h ILE 88 N 0.94 1.30 -0.52 2.04 2.04 -0.47 -2.48 117.51 120.37 1s9f h ILE 88 Ca 0.17 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1s9f h ILE 88 Cb 0.53 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1s9f h ILE 88 CO 0.03 0.45 0.35 0.24 0.00 0.00 0.00 178.15 179.22 1s9f h MET 89 N 0.43 0.62 -0.19 2.37 2.86 -0.63 0.34 114.93 120.73 1s9f h MET 89 Ca 0.05 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1s9f h MET 89 Cb 0.82 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1s9f h MET 89 CO 0.07 0.41 -0.29 -0.91 1.06 0.00 0.00 176.91 177.24 1s9f h ASN 90 N 0.64 0.36 -0.30 1.22 2.35 -0.93 -0.97 115.58 117.96 1s9f h ASN 90 Ca 0.20 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1s9f h ASN 90 Cb 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1s9f h ASN 90 CO -0.05 0.65 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.25 1s9f h LEU 91 N 0.32 0.56 -1.15 1.61 3.38 -0.55 -3.02 115.31 116.46 1s9f h LEU 91 Ca 0.04 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1s9f h LEU 91 Cb 0.68 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1s9f h LEU 91 CO 0.05 0.78 0.25 -0.07 0.09 0.00 0.00 178.44 179.54 1s9f h LEU 92 N 0.33 0.77 -2.32 1.67 3.38 -0.74 -1.75 115.31 116.64 1s9f h LEU 92 Ca 0.08 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1s9f h LEU 92 Cb 0.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1s9f h LEU 92 CO 0.03 0.68 0.07 0.03 0.09 0.00 0.00 178.44 179.34 1s9f h ARG 93 N 0.84 0.00 0.00 1.13 3.08 -1.06 -0.54 114.38 117.83 1s9f h ARG 93 Ca 0.20 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1s9f h ARG 93 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1s9f h ARG 93 CO -0.02 0.00 -0.19 0.93 -1.07 0.00 0.00 179.97 179.62 1s9f h GLU 94 N 0.00 0.00 0.00 0.04 5.08 -1.27 -3.11 114.58 115.31 1s9f h GLU 94 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1s9f h GLU 94 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1s9f h GLU 94 CO -0.00 0.19 -0.85 1.88 -1.00 0.00 0.00 179.01 179.24 1s9f h TYR 95 N 0.00 0.00 -1.78 4.33 0.05 -1.18 -3.47 116.97 114.92 1s9f h TYR 95 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1s9f h TYR 95 Cb 0.64 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.14 1s9f h TYR 95 CO 0.00 0.11 0.21 0.45 -1.05 0.00 0.00 178.16 177.89 1s9f s SER 96 N -5.65 -0.71 0.44 3.88 0.15 -1.17 -5.01 113.70 105.63 1s9f s SER 96 Ca 0.01 1.18 0.25 0.00 0.70 0.00 0.00 55.95 58.08 1s9f s SER 96 Cb 0.08 1.27 0.70 0.00 -1.71 0.00 0.00 66.02 66.37 1s9f s SER 96 CO 0.77 -0.19 1.73 1.05 1.20 0.00 0.00 173.24 177.80 1s9f h GLU 97 N 6.16 0.00 -5.00 5.44 9.09 -1.90 -3.38 114.58 125.00 1s9f h GLU 97 Ca -0.29 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 58.42 1s9f h GLU 97 Cb 1.20 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 28.13 1s9f h GLU 97 CO 0.16 0.14 0.91 0.15 0.05 0.00 0.00 179.01 180.41 1s9f s LYS 98 N -3.40 3.66 -0.01 1.06 1.02 -1.26 -4.96 119.74 115.85 1s9f s LYS 98 Ca 0.03 -1.87 0.03 0.00 0.02 0.00 0.00 55.97 54.18 1s9f s LYS 98 Cb 0.08 -4.94 -0.01 0.00 -0.52 0.00 0.00 37.83 32.44 1s9f s LYS 98 CO 0.64 -1.77 -0.08 -1.50 -0.92 0.00 0.00 175.35 171.71 1s9f s ILE 99 N 2.56 0.66 -0.29 2.17 2.07 -1.26 -1.13 121.20 125.98 1s9f s ILE 99 Ca 0.34 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 1s9f s ILE 99 Cb -0.04 -0.56 0.08 0.00 0.13 0.00 0.00 42.46 42.06 1s9f s ILE 99 CO -0.08 0.19 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.41 1s9f s GLU 100 N -0.18 1.76 -0.65 3.50 2.12 0.95 -4.04 118.70 122.16 1s9f s GLU 100 Ca 0.03 -1.45 -0.25 0.00 0.36 0.00 0.00 54.97 53.65 1s9f s GLU 100 Cb -0.03 -2.89 0.05 0.00 0.26 0.00 0.00 34.13 31.51 1s9f s GLU 100 CO -0.00 -0.73 1.09 0.42 -0.54 0.00 0.00 175.26 175.49 1s9f s ILE 101 N 1.12 4.11 0.15 -3.70 1.01 -1.26 -0.38 121.20 122.24 1s9f s ILE 101 Ca -0.00 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1s9f s ILE 101 Cb -0.19 -4.73 -0.08 0.00 0.01 0.00 0.00 42.46 37.47 1s9f s ILE 101 CO -0.08 -1.49 1.44 0.00 0.00 0.00 0.00 174.94 174.82 1s9f h ALA 102 N 9.65 0.55 -2.07 9.38 0.00 -1.66 -3.43 119.26 131.68 1s9f h ALA 102 Ca -0.27 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1s9f h ALA 102 Cb 1.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s9f h ALA 102 CO 1.19 0.69 0.13 -1.13 0.00 0.00 0.00 179.25 180.13 1s9f n SER 103 N -3.98 -0.59 0.15 0.00 3.41 -1.14 -4.99 113.62 106.47 1s9f n SER 103 Ca -0.04 -1.37 0.18 0.00 -0.26 0.00 0.00 58.87 57.39 1s9f n SER 103 Cb 0.63 0.98 0.78 0.00 -0.26 0.00 0.00 64.21 66.33 1s9f n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1s9f h ILE 104 N 1.29 0.49 0.00 -1.33 2.10 -2.01 -3.05 117.51 115.00 1s9f h ILE 104 Ca -0.09 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.81 1s9f h ILE 104 Cb 0.36 0.77 -0.09 0.00 -1.09 0.00 0.00 36.82 36.77 1s9f h ILE 104 CO 0.12 0.00 -0.52 -0.90 -1.08 0.00 0.00 178.15 175.77 1s9f n ASP 105 N -3.87 0.94 -3.86 2.19 5.75 -1.26 -4.81 116.55 111.64 1s9f n ASP 105 Ca 0.04 -2.46 -0.12 0.00 -0.01 0.00 0.00 54.79 52.24 1s9f n ASP 105 Cb 0.44 -0.31 -0.14 0.00 -1.03 0.00 0.00 41.12 40.09 1s9f n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1s9f s GLU 106 N -1.00 0.06 -0.13 0.11 2.02 -1.16 -1.78 118.70 116.81 1s9f s GLU 106 Ca 0.19 0.01 -0.19 0.00 0.02 0.00 0.00 54.97 55.00 1s9f s GLU 106 Cb 0.20 0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.50 1s9f s GLU 106 CO -0.04 -0.01 0.50 0.00 0.02 0.00 0.00 175.26 175.73 1s9f s ALA 107 N -0.06 -1.26 -0.10 5.21 0.00 -0.72 -1.57 121.76 123.27 1s9f s ALA 107 Ca -0.01 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1s9f s ALA 107 Cb -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1s9f s ALA 107 CO 0.00 -0.27 -0.04 0.71 0.00 0.00 0.00 175.76 176.16 1s9f s TYR 108 N -0.28 3.03 -0.07 0.00 2.02 0.49 -0.68 117.35 121.85 1s9f s TYR 108 Ca -0.04 -0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 1s9f s TYR 108 Cb -0.03 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1s9f s TYR 108 CO 0.03 0.27 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.58 1s9f s LEU 109 N -0.51 1.92 -0.50 -1.29 1.02 0.97 -0.03 118.68 120.25 1s9f s LEU 109 Ca 0.08 -0.43 -0.20 0.00 0.02 0.00 0.00 54.13 53.60 1s9f s LEU 109 Cb -0.12 -1.13 0.05 0.00 0.02 0.00 0.00 46.19 45.01 1s9f s LEU 109 CO 0.02 0.13 0.66 -0.62 0.02 0.00 0.00 176.35 176.56 1s9f s ASP 110 N 0.31 6.25 -0.22 2.29 3.68 -0.28 -0.61 116.67 128.09 1s9f s ASP 110 Ca -0.13 -0.79 0.15 0.00 2.13 0.00 0.00 52.55 53.92 1s9f s ASP 110 Cb -0.15 -2.31 0.72 0.00 -1.45 0.00 0.00 42.92 39.72 1s9f s ASP 110 CO 0.05 -0.92 1.63 2.30 0.13 0.00 0.00 175.17 178.37 1s9f n ILE 111 N 5.71 2.59 -0.33 4.11 -5.35 -0.79 -4.64 119.36 120.66 1s9f n ILE 111 Ca -0.05 -1.58 0.11 0.00 -0.27 0.00 0.00 62.75 60.95 1s9f n ILE 111 Cb 0.46 -0.27 0.32 0.00 -1.74 0.00 0.00 39.64 38.41 1s9f n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1s9f h SER 112 N 3.20 0.78 0.18 7.28 0.02 -1.87 0.45 113.55 123.59 1s9f h SER 112 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1s9f h SER 112 Cb 1.79 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1s9f h SER 112 CO 0.39 0.37 -0.07 -0.67 -1.14 0.00 0.00 176.83 175.71 1s9f n ASP 113 N -4.63 0.68 -0.03 3.07 4.64 -1.26 -4.03 116.55 114.98 1s9f n ASP 113 Ca 0.20 -0.92 0.03 0.00 -1.38 0.00 0.00 54.79 52.72 1s9f n ASP 113 Cb 0.46 -0.02 -0.14 0.00 -1.04 0.00 0.00 41.12 40.38 1s9f n ASP 113 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1s9f n LYS 114 N -0.65 0.78 -4.14 -0.67 4.76 0.11 -5.02 118.16 113.33 1s9f n LYS 114 Ca 0.17 -0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1s9f n LYS 114 Cb 0.27 -1.43 -0.10 0.00 -1.84 0.00 0.00 35.03 31.92 1s9f n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s9f s VAL 115 N -2.98 0.58 -0.13 -0.18 -7.23 -1.00 -5.06 120.40 104.41 1s9f s VAL 115 Ca -0.07 -1.78 0.19 0.00 -1.81 0.00 0.00 61.98 58.51 1s9f s VAL 115 Cb 0.09 -1.48 -0.20 0.00 0.56 0.00 0.00 36.38 35.35 1s9f s VAL 115 CO 0.74 -0.82 0.58 0.54 -0.31 0.00 0.00 175.10 175.82 1s9f n ARG 116 N 0.22 0.65 -3.59 4.82 1.74 -1.26 -4.82 116.66 114.42 1s9f n ARG 116 Ca -0.14 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 1s9f n ARG 116 Cb 0.60 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1s9f n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1s9f n ASP 117 N -2.67 -1.72 0.19 0.55 3.85 -1.26 -5.05 116.55 110.45 1s9f n ASP 117 Ca -0.13 -2.55 0.04 0.00 -0.71 0.00 0.00 54.79 51.44 1s9f n ASP 117 Cb 0.81 2.96 0.38 0.00 -1.35 0.00 0.00 41.12 43.92 1s9f n ASP 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1s9f h TYR 118 N 1.90 0.00 -0.50 2.11 0.05 -1.98 -1.27 116.97 117.28 1s9f h TYR 118 Ca -0.28 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 1s9f h TYR 118 Cb 1.09 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 1s9f h TYR 118 CO 0.00 0.37 0.30 -0.09 -1.05 0.00 0.00 178.16 177.68 1s9f h ARG 119 N 0.00 0.68 -0.18 4.88 2.43 -1.99 0.16 114.38 120.36 1s9f h ARG 119 Ca -0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1s9f h ARG 119 Cb 0.68 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1s9f h ARG 119 CO 0.05 0.50 -0.46 0.93 -1.51 0.00 0.00 179.97 179.48 1s9f h GLU 120 N 0.67 0.45 -0.70 0.20 5.08 -1.89 -2.03 114.58 116.36 1s9f h GLU 120 Ca 0.18 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1s9f h GLU 120 Cb -0.00 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1s9f h GLU 120 CO -0.03 0.82 0.19 0.00 -1.00 0.00 0.00 179.01 178.99 1s9f h ALA 121 N 1.15 0.91 -0.37 3.43 0.00 -0.74 -0.34 119.26 123.29 1s9f h ALA 121 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1s9f h ALA 121 Cb 0.95 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1s9f h ALA 121 CO 0.08 0.61 0.17 -0.92 0.00 0.00 0.00 179.25 179.19 1s9f h TYR 122 N 1.03 0.55 -0.47 0.00 3.20 -0.51 0.25 116.97 121.03 1s9f h TYR 122 Ca 0.22 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1s9f h TYR 122 Cb 0.34 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1s9f h TYR 122 CO 0.03 0.48 0.07 -0.91 -1.64 0.00 0.00 178.16 176.18 1s9f h ASN 123 N 0.46 0.69 -0.48 -2.11 2.35 -1.04 -1.39 115.58 114.06 1s9f h ASN 123 Ca 0.13 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1s9f h ASN 123 Cb 0.15 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1s9f h ASN 123 CO -0.01 0.72 0.00 0.25 -1.65 0.00 0.00 177.43 176.74 1s9f h LEU 124 N 0.71 0.88 -0.97 1.61 5.85 -0.66 -1.65 115.31 121.08 1s9f h LEU 124 Ca 0.15 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1s9f h LEU 124 Cb 0.34 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1s9f h LEU 124 CO 0.01 0.94 0.60 1.23 -0.34 0.00 0.00 178.44 180.88 1s9f h GLY 125 N 0.99 1.39 1.23 3.75 0.00 -0.00 -0.71 103.07 109.73 1s9f h GLY 125 Ca 0.16 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 1s9f h GLY 125 CO 0.02 0.55 -0.18 1.41 0.00 0.00 0.00 176.54 178.34 1s9f h LEU 126 N 1.33 0.90 -0.03 3.11 3.38 -0.87 -1.72 115.31 121.40 1s9f h LEU 126 Ca 0.35 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1s9f h LEU 126 Cb -0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1s9f h LEU 126 CO -0.07 1.06 -0.03 -0.08 0.09 0.00 0.00 178.44 179.41 1s9f h GLU 127 N 0.78 -0.04 -0.12 1.13 4.22 -0.73 -0.01 114.58 119.80 1s9f h GLU 127 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1s9f h GLU 127 Cb 0.72 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1s9f h GLU 127 CO 0.06 -0.03 0.08 0.82 -2.18 0.00 0.00 179.01 177.75 1s9f h ILE 128 N -0.05 1.03 -0.49 2.32 2.04 -1.03 0.36 117.51 121.69 1s9f h ILE 128 Ca 0.03 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1s9f h ILE 128 Cb 0.08 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1s9f h ILE 128 CO -0.06 0.03 0.22 0.11 0.00 0.00 0.00 178.15 178.44 1s9f h LYS 129 N 0.16 0.41 -0.56 2.37 1.57 -1.07 -0.67 116.57 118.78 1s9f h LYS 129 Ca 0.04 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1s9f h LYS 129 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1s9f h LYS 129 CO -0.01 0.27 0.09 -0.91 -0.57 0.00 0.00 179.45 178.32 1s9f h ASN 130 N 0.43 0.84 -0.43 0.86 2.35 -0.73 -1.24 115.58 117.66 1s9f h ASN 130 Ca 0.23 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1s9f h ASN 130 Cb 0.18 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1s9f h ASN 130 CO -0.19 0.85 0.03 0.50 -1.65 0.00 0.00 177.43 176.97 1s9f h LYS 131 N 0.84 0.74 -0.36 0.81 1.63 -0.28 0.17 116.57 120.12 1s9f h LYS 131 Ca 0.18 -0.22 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1s9f h LYS 131 Cb 0.37 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1s9f h LYS 131 CO 0.01 0.80 -0.23 0.82 -3.45 0.00 0.00 179.45 177.40 1s9f h ILE 132 N 0.59 1.27 -0.40 2.00 2.04 -0.98 -0.12 117.51 121.91 1s9f h ILE 132 Ca 0.13 -1.33 -0.12 0.00 1.00 0.00 0.00 64.86 64.53 1s9f h ILE 132 Cb 0.44 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1s9f h ILE 132 CO 0.02 0.44 -0.24 0.25 0.00 0.00 0.00 178.15 178.62 1s9f h LEU 133 N 0.63 0.90 -0.20 1.44 5.85 -1.06 0.99 115.31 123.85 1s9f h LEU 133 Ca 0.09 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1s9f h LEU 133 Cb 0.73 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1s9f h LEU 133 CO 0.06 1.13 0.10 -0.08 -0.34 0.00 0.00 178.44 179.30 1s9f h GLU 134 N 0.68 0.28 0.10 1.25 4.81 -0.41 0.92 114.58 122.22 1s9f h GLU 134 Ca 0.08 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.99 1s9f h GLU 134 Cb 0.81 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1s9f h GLU 134 CO 0.07 0.29 -1.41 0.87 -0.73 0.00 0.00 179.01 178.10 1s9f h LYS 135 N 0.21 0.22 0.00 1.92 1.79 -1.01 -3.41 116.57 116.28 1s9f h LYS 135 Ca 0.07 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1s9f h LYS 135 Cb 0.10 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1s9f h LYS 135 CO -0.01 1.10 0.00 0.39 -1.08 0.00 0.00 179.45 179.85 1s9f n GLU 136 N -3.44 0.67 -2.75 3.15 -0.58 0.32 -5.02 120.64 112.99 1s9f n GLU 136 Ca -0.13 -0.25 -0.21 0.00 -0.42 0.00 0.00 57.16 56.16 1s9f n GLU 136 Cb 1.03 -0.71 0.01 0.00 -0.57 0.00 0.00 31.44 31.20 1s9f n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s9f n LYS 137 N -0.17 -3.24 -4.77 3.49 4.01 0.32 -4.97 118.16 112.84 1s9f n LYS 137 Ca 0.00 0.87 -0.33 0.00 -0.51 0.00 0.00 58.31 58.34 1s9f n LYS 137 Cb 0.06 -5.61 -0.14 0.00 -0.51 0.00 0.00 35.03 28.83 1s9f n LYS 137 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1s9f s ILE 138 N -3.03 3.08 0.21 -0.18 -1.09 -1.24 -4.94 121.20 114.00 1s9f s ILE 138 Ca 0.16 -0.65 -0.12 0.00 -2.23 0.00 0.00 60.65 57.81 1s9f s ILE 138 Cb -0.08 -2.29 -0.07 0.00 -1.58 0.00 0.00 42.46 38.44 1s9f s ILE 138 CO 0.20 0.52 0.58 0.42 -1.23 0.00 0.00 174.94 175.43 1s9f s THR 139 N 0.33 4.86 0.16 2.92 -4.23 -1.26 -3.73 115.64 114.69 1s9f s THR 139 Ca -0.10 0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1s9f s THR 139 Cb -0.16 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1s9f s THR 139 CO 0.06 0.04 0.08 0.68 -0.54 0.00 0.00 174.62 174.93 1s9f s VAL 140 N -1.70 0.12 -0.08 2.29 -7.23 -1.26 -2.21 120.40 110.33 1s9f s VAL 140 Ca 0.45 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1s9f s VAL 140 Cb -0.13 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1s9f s VAL 140 CO 0.20 -0.29 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.68 1s9f s THR 141 N -4.05 3.07 -0.13 5.32 2.01 0.18 -3.75 115.64 118.30 1s9f s THR 141 Ca 0.30 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 1s9f s THR 141 Cb 0.07 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1s9f s THR 141 CO 0.06 0.57 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.77 1s9f s VAL 142 N -0.35 3.41 -0.08 3.82 1.01 -0.52 -0.92 120.40 126.75 1s9f s VAL 142 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1s9f s VAL 142 Cb -0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1s9f s VAL 142 CO 0.02 0.52 -0.21 -0.83 0.00 0.00 0.00 175.10 174.61 1s9f s GLY 143 N 0.21 1.39 -0.05 4.51 0.00 0.12 -1.29 107.32 112.22 1s9f s GLY 143 Ca -0.06 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1s9f s GLY 143 CO 0.04 -0.48 -0.08 -0.42 0.00 0.00 0.00 173.10 172.17 1s9f s ILE 144 N 0.01 0.77 0.00 0.90 1.01 -0.13 0.04 121.20 123.81 1s9f s ILE 144 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1s9f s ILE 144 Cb -0.15 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1s9f s ILE 144 CO 0.05 0.27 0.00 -0.24 0.00 0.00 0.00 174.94 175.02 1s9f n SER 145 N 3.81 0.00 0.12 3.58 2.88 -0.85 -0.70 113.62 122.46 1s9f n SER 145 Ca -0.23 -0.67 0.13 0.00 -1.33 0.00 0.00 58.87 56.76 1s9f n SER 145 Cb 0.52 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.30 1s9f n SER 145 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1s9f h LYS 146 N 0.00 0.00 -3.86 -1.46 2.10 -1.76 -0.01 116.57 111.57 1s9f h LYS 146 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1s9f h LYS 146 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 1s9f h LYS 146 CO 0.00 0.00 -0.17 0.54 -2.00 0.00 0.00 179.45 177.82 1s9f s ASN 147 N -4.83 0.25 0.24 7.07 2.20 -1.26 -4.50 114.94 114.11 1s9f s ASN 147 Ca 0.09 -1.16 -0.07 0.00 -0.94 0.00 0.00 52.86 50.78 1s9f s ASN 147 Cb 0.11 0.60 0.23 0.00 -2.00 0.00 0.00 41.25 40.19 1s9f s ASN 147 CO 0.63 -1.19 1.90 0.11 -2.94 0.00 0.00 177.10 175.61 1s9f h LYS 148 N 2.23 1.25 -0.08 3.55 1.57 -1.91 -1.67 116.57 121.51 1s9f h LYS 148 Ca -0.28 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1s9f h LYS 148 Cb 1.25 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1s9f h LYS 148 CO 0.38 0.85 0.03 0.28 -0.57 0.00 0.00 179.45 180.43 1s9f h VAL 149 N 1.28 1.14 0.00 0.50 2.07 -1.97 -1.68 116.25 117.59 1s9f h VAL 149 Ca 0.34 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1s9f h VAL 149 Cb -0.10 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1s9f h VAL 149 CO -0.07 0.12 -0.27 -0.26 0.02 0.00 0.00 177.57 177.12 1s9f h PHE 150 N -0.02 0.00 -0.41 1.57 0.04 -1.96 -1.48 116.94 114.68 1s9f h PHE 150 Ca 0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 1s9f h PHE 150 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1s9f h PHE 150 CO -0.02 0.27 -0.25 0.00 -0.60 0.00 0.00 178.31 177.71 1s9f h ALA 151 N 1.73 0.58 -0.43 2.45 0.00 -1.14 -0.96 119.26 121.50 1s9f h ALA 151 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1s9f h ALA 151 Cb 0.90 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1s9f h ALA 151 CO 0.03 0.59 0.01 -0.22 0.00 0.00 0.00 179.25 179.66 1s9f h LYS 152 N 0.71 0.75 -0.68 0.00 3.64 -1.04 -2.43 116.57 117.52 1s9f h LYS 152 Ca 0.09 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1s9f h LYS 152 Cb 0.82 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1s9f h LYS 152 CO 0.07 0.82 0.43 0.82 -2.27 0.00 0.00 179.45 179.32 1s9f h ILE 153 N 0.59 1.18 -0.43 2.00 2.04 -1.12 -0.54 117.51 121.24 1s9f h ILE 153 Ca 0.12 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1s9f h ILE 153 Cb 0.48 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1s9f h ILE 153 CO 0.02 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.60 1s9f h ALA 154 N 1.55 0.55 -0.62 1.87 0.00 -0.81 -0.94 119.26 120.86 1s9f h ALA 154 Ca 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1s9f h ALA 154 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1s9f h ALA 154 CO -0.05 0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.43 1s9f h ALA 155 N 1.11 0.81 -0.88 0.00 0.00 -0.95 -1.59 119.26 117.76 1s9f h ALA 155 Ca 0.15 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1s9f h ALA 155 Cb 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1s9f h ALA 155 CO -0.03 0.49 0.57 -0.44 0.00 0.00 0.00 179.25 179.85 1s9f h ASP 156 N 0.89 0.87 0.69 0.00 3.45 -0.61 0.08 116.42 121.80 1s9f h ASP 156 Ca 0.20 0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.53 1s9f h ASP 156 Cb 0.30 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1s9f h ASP 156 CO -0.00 0.56 -0.65 0.24 -1.57 0.00 0.00 179.24 177.82 1s9f h MET 157 N 0.99 0.00 0.00 3.56 2.86 -0.71 -3.35 114.93 118.29 1s9f h MET 157 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1s9f h MET 157 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1s9f h MET 157 CO -0.14 0.65 -1.65 0.00 1.06 0.00 0.00 176.91 176.82 1s9f n ALA 158 N -2.40 3.49 -1.74 6.32 0.00 -0.64 -5.00 120.51 120.53 1s9f n ALA 158 Ca -0.01 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 1s9f n ALA 158 Cb 0.65 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 19.38 1s9f n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1s9f s LYS 159 N -3.34 2.89 0.51 0.00 -2.85 -0.07 -3.86 119.74 113.02 1s9f s LYS 159 Ca -0.02 1.86 -0.01 0.00 -1.00 0.00 0.00 55.97 56.80 1s9f s LYS 159 Cb 0.15 -1.91 0.01 0.00 -2.06 0.00 0.00 37.83 34.01 1s9f s LYS 159 CO 0.90 -1.28 0.75 -1.25 0.10 0.00 0.00 175.35 174.57 1s9f s PRO 160 N -3.35 2.88 -1.36 1.78 0.04 -1.26 -4.95 135.00 128.78 1s9f s PRO 160 Ca 0.78 -0.47 -0.07 0.00 0.04 0.00 0.00 61.00 61.28 1s9f s PRO 160 Cb -0.31 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1s9f s PRO 160 CO 0.34 -0.49 0.45 -1.71 0.04 0.00 0.00 177.00 175.64 1s9f n ASN 161 N -2.26 -1.41 -3.07 6.66 4.05 -1.26 -4.96 115.26 113.01 1s9f n ASN 161 Ca 0.04 -1.08 -0.17 0.00 0.45 0.00 0.00 54.58 53.81 1s9f n ASN 161 Cb 0.58 -2.76 -0.05 0.00 1.23 0.00 0.00 39.78 38.78 1s9f n ASN 161 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s9f n GLY 162 N -2.03 3.43 3.43 8.20 0.00 -1.25 -4.98 105.19 111.99 1s9f n GLY 162 Ca -0.25 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 1s9f n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s9f s ILE 163 N -2.71 -0.10 -0.06 -0.61 2.07 -1.26 -1.44 121.20 117.08 1s9f s ILE 163 Ca 0.18 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.43 1s9f s ILE 163 Cb 0.01 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.84 1s9f s ILE 163 CO 0.12 0.02 0.16 -0.75 -1.91 0.00 0.00 174.94 172.59 1s9f s LYS 164 N 1.64 0.16 -0.12 3.50 2.47 -0.41 -4.97 119.74 122.01 1s9f s LYS 164 Ca -0.09 0.28 -0.02 0.00 -1.56 0.00 0.00 55.97 54.58 1s9f s LYS 164 Cb -0.07 0.01 -0.03 0.00 -1.46 0.00 0.00 37.83 36.28 1s9f s LYS 164 CO -0.16 -0.07 -0.04 0.08 0.16 0.00 0.00 175.35 175.33 1s9f s VAL 165 N 0.43 3.92 -0.42 4.02 1.01 -1.26 -0.95 120.40 127.15 1s9f s VAL 165 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1s9f s VAL 165 Cb -0.04 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.78 1s9f s VAL 165 CO -0.02 0.54 0.19 -0.63 0.00 0.00 0.00 175.10 175.18 1s9f s ILE 166 N -0.18 2.95 0.98 2.22 1.01 0.12 -4.97 121.20 123.34 1s9f s ILE 166 Ca 0.03 -2.36 -0.15 0.00 0.00 0.00 0.00 60.65 58.17 1s9f s ILE 166 Cb -0.13 -3.06 0.18 0.00 0.01 0.00 0.00 42.46 39.47 1s9f s ILE 166 CO 0.02 -0.69 1.18 1.51 0.00 0.00 0.00 174.94 176.96 1s9f s ASP 167 N 1.22 2.90 0.32 3.58 3.84 -1.26 -4.35 116.67 122.91 1s9f s ASP 167 Ca 0.11 0.70 0.08 0.00 -0.00 0.00 0.00 52.55 53.45 1s9f s ASP 167 Cb -0.22 -1.07 0.84 0.00 -1.38 0.00 0.00 42.92 41.09 1s9f s ASP 167 CO -0.05 -2.90 1.75 0.44 -0.00 0.00 0.00 175.17 174.41 1s9f h ASP 168 N -1.75 0.71 -0.29 2.11 5.19 -2.00 -0.75 116.42 119.65 1s9f h ASP 168 Ca -0.48 0.12 -0.15 0.00 -0.62 0.00 0.00 57.03 55.90 1s9f h ASP 168 Cb 1.30 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1s9f h ASP 168 CO 0.50 0.18 -0.38 -0.33 -3.12 0.00 0.00 179.24 176.08 1s9f h GLU 169 N 0.65 0.84 0.00 3.56 3.07 -2.00 -2.77 114.58 117.92 1s9f h GLU 169 Ca 0.62 -0.43 -0.11 0.00 -0.50 0.00 0.00 59.36 58.93 1s9f h GLU 169 Cb 1.10 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 1s9f h GLU 169 CO -0.43 1.07 -0.52 1.49 -1.40 0.00 0.00 179.01 179.23 1s9f h GLU 170 N 0.69 0.00 -0.28 2.33 4.81 -1.52 -2.32 114.58 118.29 1s9f h GLU 170 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1s9f h GLU 170 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1s9f h GLU 170 CO 0.09 0.52 0.13 0.28 -0.73 0.00 0.00 179.01 179.29 1s9f h VAL 171 N 0.00 1.15 -0.81 0.32 2.07 -1.14 0.32 116.25 118.16 1s9f h VAL 171 Ca -0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1s9f h VAL 171 Cb 1.03 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1s9f h VAL 171 CO 0.07 0.16 0.51 0.11 0.02 0.00 0.00 177.57 178.43 1s9f h LYS 172 N 0.31 1.09 -0.30 1.57 1.57 -1.32 0.61 116.57 120.09 1s9f h LYS 172 Ca 0.09 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1s9f h LYS 172 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1s9f h LYS 172 CO -0.01 0.75 -0.25 -0.09 -0.57 0.00 0.00 179.45 179.27 1s9f h ARG 173 N 1.11 0.71 -0.38 3.15 2.43 -0.90 -3.00 114.38 117.50 1s9f h ARG 173 Ca 0.29 -0.35 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1s9f h ARG 173 Cb -0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1s9f h ARG 173 CO -0.06 0.97 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.23 1s9f h LEU 174 N 0.46 0.61 -2.00 3.80 3.38 0.16 0.36 115.31 122.08 1s9f h LEU 174 Ca 0.05 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1s9f h LEU 174 Cb 0.81 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1s9f h LEU 174 CO 0.07 0.73 0.05 0.40 0.09 0.00 0.00 178.44 179.78 1s9f h ILE 175 N 0.59 0.96 0.01 1.22 2.04 -0.80 0.25 117.51 121.78 1s9f h ILE 175 Ca 0.11 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.64 1s9f h ILE 175 Cb 0.47 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1s9f h ILE 175 CO 0.02 0.00 -2.03 0.54 0.00 0.00 0.00 178.15 176.68 1s9f n ARG 176 N -4.51 0.66 -0.06 2.37 1.74 -0.52 -1.35 116.66 114.99 1s9f n ARG 176 Ca -0.01 0.17 -0.05 0.00 -0.77 0.00 0.00 57.85 57.18 1s9f n ARG 176 Cb 0.16 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 29.83 1s9f n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s9f n GLU 177 N -2.97 1.84 -1.86 5.56 1.02 0.12 -4.87 120.64 119.47 1s9f n GLU 177 Ca -0.26 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.45 1s9f n GLU 177 Cb 1.09 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 31.16 1s9f n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s9f s LEU 178 N -4.85 4.37 -0.05 -4.62 2.96 0.86 -4.90 118.68 112.45 1s9f s LEU 178 Ca -0.06 2.69 -0.29 0.00 -0.22 0.00 0.00 54.13 56.24 1s9f s LEU 178 Cb 0.04 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 1s9f s LEU 178 CO 0.52 -0.88 1.95 -0.62 -1.32 0.00 0.00 176.35 175.99 1s9f s ASP 179 N 1.31 6.27 0.61 3.68 2.15 -1.26 -4.28 116.67 125.15 1s9f s ASP 179 Ca 0.72 2.36 0.28 0.00 0.43 0.00 0.00 52.55 56.34 1s9f s ASP 179 Cb -0.45 -2.53 1.40 0.00 -0.30 0.00 0.00 42.92 41.04 1s9f s ASP 179 CO 0.32 -1.24 1.81 -0.29 -0.17 0.00 0.00 175.17 175.60 1s9f h ILE 180 N 5.98 0.23 0.00 4.11 2.10 -1.10 0.48 117.51 129.32 1s9f h ILE 180 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1s9f h ILE 180 Cb 1.22 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 1s9f h ILE 180 CO 0.95 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.02 1s9f h ALA 181 N 1.29 1.00 -0.12 0.18 0.00 -1.88 -1.96 119.26 117.77 1s9f h ALA 181 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s9f h ALA 181 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s9f h ALA 181 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1s9f n ASP 182 N -2.94 1.47 -4.71 0.00 10.43 0.17 -4.76 116.55 116.20 1s9f n ASP 182 Ca 0.00 -1.63 -0.41 0.00 2.57 0.00 0.00 54.79 55.32 1s9f n ASP 182 Cb 0.24 -0.08 -0.04 0.00 1.84 0.00 0.00 41.12 43.09 1s9f n ASP 182 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1s9f s VAL 183 N -1.85 4.96 0.24 2.53 1.01 -0.74 -4.98 120.40 121.57 1s9f s VAL 183 Ca 0.33 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 1s9f s VAL 183 Cb 0.18 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 1s9f s VAL 183 CO 0.27 0.22 1.18 -2.65 0.00 0.00 0.00 175.10 174.12 1s9f n PRO 184 N 3.80 1.52 0.00 2.72 -0.02 -1.26 -1.50 135.00 140.26 1s9f n PRO 184 Ca 0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1s9f n PRO 184 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1s9f n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9f n GLY 185 N 1.70 1.16 3.28 -1.23 0.00 -1.26 -5.01 105.19 103.82 1s9f n GLY 185 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1s9f n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9f s ILE 186 N -2.31 4.41 0.44 -0.61 -1.09 -0.56 -5.02 121.20 116.46 1s9f s ILE 186 Ca 0.00 -1.38 0.04 0.00 -2.23 0.00 0.00 60.65 57.08 1s9f s ILE 186 Cb 0.00 -3.71 0.08 0.00 -1.58 0.00 0.00 42.46 37.25 1s9f s ILE 186 CO 0.00 -0.55 0.61 0.61 -1.23 0.00 0.00 174.94 174.38 1s9f n GLY 187 N 4.97 1.47 0.22 6.18 0.00 -1.26 -4.74 105.19 112.04 1s9f n GLY 187 Ca -0.10 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 1s9f n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s9f h ASN 188 N -0.11 0.16 -0.13 1.61 2.35 -1.97 0.92 115.58 118.40 1s9f h ASN 188 Ca -0.20 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1s9f h ASN 188 Cb 0.86 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 1s9f h ASN 188 CO 0.26 0.10 -0.03 0.40 -1.65 0.00 0.00 177.43 176.51 1s9f h ILE 189 N 0.36 0.88 -0.34 2.81 2.04 -2.00 -0.76 117.51 120.49 1s9f h ILE 189 Ca 0.29 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.04 1s9f h ILE 189 Cb 0.37 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1s9f h ILE 189 CO -0.31 0.00 -0.25 0.74 0.00 0.00 0.00 178.15 178.32 1s9f h THR 190 N 0.01 1.27 -0.91 -0.27 2.02 -1.84 -2.67 112.91 110.53 1s9f h THR 190 Ca 0.06 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1s9f h THR 190 Cb 0.09 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1s9f h THR 190 CO -0.13 0.44 0.53 0.00 0.37 0.00 0.00 175.52 176.74 1s9f h ALA 191 N 1.12 1.16 -0.42 6.16 0.00 -0.47 -0.99 119.26 125.82 1s9f h ALA 191 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1s9f h ALA 191 Cb 0.74 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s9f h ALA 191 CO 0.06 0.63 -0.05 0.93 0.00 0.00 0.00 179.25 180.81 1s9f h GLU 192 N 1.25 0.78 -0.48 0.00 4.39 -0.99 -1.95 114.58 117.58 1s9f h GLU 192 Ca 0.32 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1s9f h GLU 192 Cb -0.03 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1s9f h GLU 192 CO -0.06 0.88 0.15 0.87 -1.16 0.00 0.00 179.01 179.70 1s9f h LYS 193 N 0.61 0.71 -0.23 2.33 1.57 -1.12 -2.40 116.57 118.04 1s9f h LYS 193 Ca 0.11 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1s9f h LYS 193 Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1s9f h LYS 193 CO 0.03 0.62 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.02 1s9f h LEU 194 N 0.70 0.62 -1.52 2.94 3.38 -0.97 -2.87 115.31 117.59 1s9f h LEU 194 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1s9f h LEU 194 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1s9f h LEU 194 CO -0.01 0.98 0.09 0.50 0.09 0.00 0.00 178.44 180.09 1s9f h LYS 195 N 0.47 0.40 0.00 1.13 3.64 -0.86 -0.20 116.57 121.15 1s9f h LYS 195 Ca 0.03 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1s9f h LYS 195 Cb 0.96 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1s9f h LYS 195 CO 0.09 0.36 -0.13 0.87 -2.27 0.00 0.00 179.45 178.37 1s9f h LYS 196 N 0.40 0.00 -0.01 1.90 1.57 -1.25 -0.31 116.57 118.87 1s9f h LYS 196 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1s9f h LYS 196 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1s9f h LYS 196 CO -0.01 0.13 -0.10 1.28 -0.57 0.00 0.00 179.45 180.19 1s9f n LEU 197 N -4.31 1.24 -1.00 2.94 4.77 -0.22 -4.92 117.00 115.50 1s9f n LEU 197 Ca -0.03 -0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 55.53 1s9f n LEU 197 Cb 0.20 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1s9f n LEU 197 CO 0.35 0.21 0.03 0.61 -1.33 0.00 0.00 177.39 177.27 1s9f n GLY 198 N 1.24 0.57 3.14 -0.72 0.00 -0.13 -5.03 105.19 104.26 1s9f n GLY 198 Ca 0.16 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1s9f n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9f s ILE 199 N -2.91 2.42 0.00 -0.61 1.01 -0.42 -4.92 121.20 115.76 1s9f s ILE 199 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1s9f s ILE 199 Cb -0.04 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1s9f s ILE 199 CO 0.12 0.28 0.05 0.59 0.00 0.00 0.00 174.94 175.98 1s9f n ASN 200 N 4.60 0.09 -4.13 3.58 4.13 -1.26 -3.60 115.26 118.67 1s9f n ASN 200 Ca -0.18 -0.39 -0.12 0.00 1.68 0.00 0.00 54.58 55.57 1s9f n ASN 200 Cb 0.47 0.42 -0.11 0.00 -1.54 0.00 0.00 39.78 39.02 1s9f n ASN 200 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1s9f s LYS 201 N -0.42 0.73 0.23 3.52 -0.14 -1.26 -0.46 119.74 121.94 1s9f s LYS 201 Ca 0.00 -1.11 -0.06 0.00 -1.36 0.00 0.00 55.97 53.44 1s9f s LYS 201 Cb 0.00 -0.29 0.35 0.00 -1.68 0.00 0.00 37.83 36.21 1s9f s LYS 201 CO 0.00 0.02 1.81 -0.07 -0.76 0.00 0.00 175.35 176.35 1s9f h LEU 202 N 3.59 0.63 -1.01 3.17 3.38 -1.72 -1.95 115.31 121.41 1s9f h LEU 202 Ca -0.36 0.04 0.18 0.00 0.09 0.00 0.00 57.88 57.84 1s9f h LEU 202 Cb 1.18 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 1s9f h LEU 202 CO 0.54 0.38 0.61 -0.37 0.09 0.00 0.00 178.44 179.70 1s9f h VAL 203 N 0.76 0.73 -0.92 1.22 -1.51 -1.55 -1.84 116.25 113.14 1s9f h VAL 203 Ca 0.37 -0.27 0.19 0.00 -1.23 0.00 0.00 66.70 65.75 1s9f h VAL 203 Cb 0.30 -0.13 -0.07 0.00 -2.13 0.00 0.00 31.29 29.26 1s9f h VAL 203 CO -0.23 0.15 0.60 0.44 -1.23 0.00 0.00 177.57 177.29 1s9f h ASP 204 N 0.80 0.52 0.18 4.19 3.32 -1.65 -0.63 116.42 123.15 1s9f h ASP 204 Ca 0.57 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.67 1s9f h ASP 204 Cb 0.85 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1s9f h ASP 204 CO -0.37 0.22 0.00 0.35 -1.72 0.00 0.00 179.24 177.72 1s9f n THR 205 N -4.56 1.60 0.57 0.35 -2.24 -0.69 -1.72 114.28 107.58 1s9f n THR 205 Ca 0.20 0.42 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 1s9f n THR 205 Cb 0.63 -1.34 0.09 0.00 -2.10 0.00 0.00 70.33 67.61 1s9f n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s9f n LEU 206 N -1.56 0.65 -1.32 3.22 4.77 -0.24 -4.00 117.00 118.52 1s9f n LEU 206 Ca 0.01 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 1s9f n LEU 206 Cb 0.06 -0.14 0.32 0.00 -2.33 0.00 0.00 43.42 41.34 1s9f n LEU 206 CO 0.05 -0.00 0.78 -1.54 -1.33 0.00 0.00 177.39 175.35 1s9f n SER 207 N -2.03 4.66 -4.36 -1.43 3.41 -0.70 -4.94 113.62 108.23 1s9f n SER 207 Ca 0.02 -2.94 -0.28 0.00 -0.26 0.00 0.00 58.87 55.41 1s9f n SER 207 Cb 0.44 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.66 1s9f n SER 207 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1s9f s ILE 208 N -2.73 2.14 0.18 -1.33 2.07 -1.24 -5.09 121.20 115.20 1s9f s ILE 208 Ca 0.47 -1.65 -0.32 0.00 -1.41 0.00 0.00 60.65 57.75 1s9f s ILE 208 Cb 0.37 -1.89 -0.11 0.00 0.13 0.00 0.00 42.46 40.96 1s9f s ILE 208 CO 0.13 0.12 1.60 -1.61 -1.91 0.00 0.00 174.94 173.27 1s9f s GLU 209 N -1.87 4.19 0.14 3.50 0.41 -1.26 -4.89 118.70 118.93 1s9f s GLU 209 Ca 0.12 2.42 -0.28 0.00 -0.41 0.00 0.00 54.97 56.83 1s9f s GLU 209 Cb -0.10 -3.13 -0.03 0.00 -1.78 0.00 0.00 34.13 29.09 1s9f s GLU 209 CO 0.05 -0.64 1.58 0.35 -0.49 0.00 0.00 175.26 176.12 1s9f h PHE 210 N 6.71 -1.17 -0.87 1.61 3.57 -1.97 0.26 116.94 125.09 1s9f h PHE 210 Ca -0.43 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.36 1s9f h PHE 210 Cb 1.20 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 40.44 1s9f h PHE 210 CO 0.64 -0.45 0.61 -0.44 -2.23 0.00 0.00 178.31 176.44 1s9f h ASP 211 N -0.41 0.14 0.28 0.41 5.19 -1.98 0.33 116.42 120.38 1s9f h ASP 211 Ca 0.11 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1s9f h ASP 211 Cb 0.60 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1s9f h ASP 211 CO -0.46 0.05 -0.13 0.50 -3.12 0.00 0.00 179.24 176.07 1s9f h LYS 212 N 0.13 -0.36 -0.13 3.56 1.63 -1.34 0.11 116.57 120.17 1s9f h LYS 212 Ca 0.43 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.28 1s9f h LYS 212 Cb 1.48 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 33.16 1s9f h LYS 212 CO -0.07 -0.05 -0.04 1.25 -3.45 0.00 0.00 179.45 177.10 1s9f h LEU 213 N -0.69 -0.13 -1.07 5.20 5.85 -0.12 -2.06 115.31 122.29 1s9f h LEU 213 Ca -0.04 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1s9f h LEU 213 Cb 0.48 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1s9f h LEU 213 CO 0.06 -0.05 0.63 0.50 -0.34 0.00 0.00 178.44 179.24 1s9f h LYS 214 N -0.01 1.11 0.00 1.25 3.64 -0.45 -1.05 116.57 121.07 1s9f h LYS 214 Ca 0.06 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1s9f h LYS 214 Cb 0.10 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1s9f h LYS 214 CO -0.14 0.74 -0.16 0.78 -2.27 0.00 0.00 179.45 178.40 1s9f h GLY 215 N 1.15 0.00 0.08 5.01 0.00 -0.10 -0.09 103.07 109.12 1s9f h GLY 215 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.55 1s9f h GLY 215 CO -0.14 0.00 -0.95 -0.33 0.00 0.00 0.00 176.54 175.11 1s9f h MET 216 N 0.00 0.04 -0.02 4.80 2.86 -0.68 -3.42 114.93 118.51 1s9f h MET 216 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1s9f h MET 216 Cb 0.33 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1s9f h MET 216 CO 0.02 1.03 0.00 0.44 1.06 0.00 0.00 176.91 179.46 1s9f n ILE 217 N -4.40 0.04 0.00 -1.22 -5.35 -0.65 -5.05 119.36 102.73 1s9f n ILE 217 Ca -0.25 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 1s9f n ILE 217 Cb 0.66 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.74 1s9f n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s9f n GLY 218 N 0.54 1.16 0.27 3.28 0.00 -0.05 -4.41 105.19 105.98 1s9f n GLY 218 Ca 0.06 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 1s9f n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s9f h GLU 219 N 0.00 0.91 0.30 1.61 4.81 -1.92 -2.35 114.58 117.95 1s9f h GLU 219 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1s9f h GLU 219 Cb 0.00 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1s9f h GLU 219 CO 0.00 0.78 -0.35 0.00 -0.73 0.00 0.00 179.01 178.70 1s9f h ALA 220 N 1.09 -0.73 -0.96 2.92 0.00 -1.95 -0.70 119.26 118.93 1s9f h ALA 220 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1s9f h ALA 220 Cb 0.20 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1s9f h ALA 220 CO -0.02 -0.95 0.63 0.87 0.00 0.00 0.00 179.25 179.78 1s9f h LYS 221 N -0.70 1.27 0.23 0.00 1.79 -1.76 -1.93 116.57 115.47 1s9f h LYS 221 Ca -0.01 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1s9f h LYS 221 Cb 0.65 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1s9f h LYS 221 CO -0.09 0.85 -0.11 0.00 -1.08 0.00 0.00 179.45 179.01 1s9f h ALA 222 N 1.39 -0.31 -0.59 3.86 0.00 -1.09 -0.33 119.26 122.18 1s9f h ALA 222 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1s9f h ALA 222 Cb -0.14 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1s9f h ALA 222 CO -0.07 -0.65 0.36 0.87 0.00 0.00 0.00 179.25 179.76 1s9f h LYS 223 N -0.37 0.80 0.27 0.00 1.57 -0.99 -0.87 116.57 116.99 1s9f h LYS 223 Ca -0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1s9f h LYS 223 Cb 0.28 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1s9f h LYS 223 CO 0.05 0.57 -0.35 -0.92 -0.57 0.00 0.00 179.45 178.23 1s9f h TYR 224 N 0.80 -0.96 -0.79 -1.35 3.20 -1.22 0.14 116.97 116.79 1s9f h TYR 224 Ca 0.21 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1s9f h TYR 224 Cb -0.03 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1s9f h TYR 224 CO -0.02 -0.48 0.48 -0.07 -1.64 0.00 0.00 178.16 176.43 1s9f h LEU 225 N -0.68 0.95 -0.54 2.82 3.38 -0.89 -1.98 115.31 118.38 1s9f h LEU 225 Ca -0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1s9f h LEU 225 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1s9f h LEU 225 CO -0.11 0.73 0.08 0.40 0.09 0.00 0.00 178.44 179.63 1s9f h ILE 226 N 1.09 1.25 -0.24 1.22 2.04 -0.90 0.79 117.51 122.75 1s9f h ILE 226 Ca 0.29 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 1s9f h ILE 226 Cb -0.05 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1s9f h ILE 226 CO -0.05 0.35 -0.00 0.77 0.00 0.00 0.00 178.15 179.21 1s9f h SER 227 N 0.78 0.33 -0.10 1.72 4.64 -0.44 0.31 113.55 120.79 1s9f h SER 227 Ca 0.16 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 1s9f h SER 227 Cb 0.41 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1s9f h SER 227 CO 0.01 0.39 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.89 1s9f h LEU 228 N 0.35 0.53 -0.87 5.97 3.38 -1.00 0.38 115.31 124.04 1s9f h LEU 228 Ca 0.08 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1s9f h LEU 228 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1s9f h LEU 228 CO 0.01 1.06 0.30 0.00 0.09 0.00 0.00 178.44 179.90 1s9f h ALA 229 N 0.48 1.10 0.00 1.53 0.00 -0.27 -0.54 119.26 121.57 1s9f h ALA 229 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s9f h ALA 229 Cb 1.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s9f h ALA 229 CO 0.08 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.51 1s9f n ARG 230 N -4.28 0.98 -3.78 0.00 1.74 0.10 -4.89 116.66 106.54 1s9f n ARG 230 Ca 0.07 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.90 1s9f n ARG 230 Cb 0.18 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 1s9f n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s9f n ASP 231 N -1.00 -2.90 0.00 0.55 4.64 -0.21 -4.88 116.55 112.75 1s9f n ASP 231 Ca 0.24 -0.79 0.00 0.00 -1.38 0.00 0.00 54.79 52.86 1s9f n ASP 231 Cb 0.11 -4.05 0.00 0.00 -1.04 0.00 0.00 41.12 36.14 1s9f n ASP 231 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1s9f n GLU 232 N -4.48 0.83 -2.15 -0.67 1.02 0.13 -5.02 120.64 110.29 1s9f n GLU 232 Ca -0.15 -0.95 -0.42 0.00 -0.02 0.00 0.00 57.16 55.63 1s9f n GLU 232 Cb 0.61 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1s9f n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1s9f s TYR 233 N -0.45 3.20 -0.38 -0.32 5.04 -0.80 -4.92 117.35 118.72 1s9f s TYR 233 Ca 0.00 1.08 0.11 0.00 -2.44 0.00 0.00 57.07 55.82 1s9f s TYR 233 Cb 0.00 -3.68 0.40 0.00 0.35 0.00 0.00 41.96 39.03 1s9f s TYR 233 CO 0.00 -2.24 1.41 0.27 -1.34 0.00 0.00 175.55 173.65 1s9f n ASN 234 N 3.03 -1.65 -4.70 4.32 6.94 -1.26 -4.86 115.26 117.09 1s9f n ASN 234 Ca 0.08 -2.38 -0.42 0.00 -0.02 0.00 0.00 54.58 51.84 1s9f n ASN 234 Cb 0.42 0.86 -0.03 0.00 -2.36 0.00 0.00 39.78 38.67 1s9f n ASN 234 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1s9f s GLU 235 N 0.05 4.13 0.71 -3.83 0.41 -1.26 -4.95 118.70 113.96 1s9f s GLU 235 Ca 0.18 2.62 -0.14 0.00 -0.41 0.00 0.00 54.97 57.22 1s9f s GLU 235 Cb 0.42 -3.49 0.03 0.00 -1.78 0.00 0.00 34.13 29.30 1s9f s GLU 235 CO -0.10 -0.83 1.14 -1.25 -0.49 0.00 0.00 175.26 173.73 1s9f s PRO 236 N 2.45 2.39 -0.24 0.39 0.04 -1.26 -4.73 135.00 134.04 1s9f s PRO 236 Ca 0.80 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 1s9f s PRO 236 Cb -0.47 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1s9f s PRO 236 CO 0.36 -1.58 0.90 0.42 0.04 0.00 0.00 177.00 177.13 1s9f s ILE 237 N -2.32 4.79 0.06 0.56 1.09 -1.26 -5.03 121.20 119.09 1s9f s ILE 237 Ca 0.68 1.71 0.03 0.00 -1.10 0.00 0.00 60.65 61.98 1s9f s ILE 237 Cb -0.23 -4.18 -0.03 0.00 -1.06 0.00 0.00 42.46 36.97 1s9f s ILE 237 CO 0.46 -0.11 -0.09 0.00 -0.10 0.00 0.00 174.94 175.09 1s9f s ARG 238 N 2.96 0.65 0.16 2.79 1.70 -1.26 -4.74 118.95 121.20 1s9f s ARG 238 Ca 0.38 -0.88 -0.34 0.00 -0.47 0.00 0.00 55.73 54.42 1s9f s ARG 238 Cb -0.15 -0.44 -0.15 0.00 -0.57 0.00 0.00 34.95 33.64 1s9f s ARG 238 CO 0.07 0.08 1.40 2.41 -1.08 0.00 0.00 175.30 178.18 1s9f n THR 239 N 1.24 0.36 -2.51 4.99 -1.04 -1.26 -4.44 114.28 111.61 1s9f n THR 239 Ca -0.21 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1s9f n THR 239 Cb 0.55 -1.21 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 1s9f n THR 239 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1s9f s ARG 240 N 0.28 4.52 -0.25 -2.82 6.06 -1.26 -5.02 118.95 120.45 1s9f s ARG 240 Ca 0.77 1.68 0.03 0.00 -2.50 0.00 0.00 55.73 55.70 1s9f s ARG 240 Cb -0.78 -3.34 0.05 0.00 0.06 0.00 0.00 34.95 30.94 1s9f s ARG 240 CO 0.45 -0.09 -0.12 0.08 -2.50 0.00 0.00 175.30 173.13 1s9f s VAL 241 N 0.57 2.20 0.11 7.11 1.01 -1.26 -5.02 120.40 125.12 1s9f s VAL 241 Ca 0.54 -1.54 -0.34 0.00 0.00 0.00 0.00 61.98 60.64 1s9f s VAL 241 Cb -0.28 -2.25 -0.13 0.00 0.00 0.00 0.00 36.38 33.72 1s9f s VAL 241 CO 0.31 0.03 1.65 -2.11 0.00 0.00 0.00 175.10 174.99 1s9f n ARG 242 N 4.46 2.21 -0.00 2.72 0.00 -1.26 -4.88 116.66 119.92 1s9f n ARG 242 Ca -0.15 0.80 0.07 0.00 -0.00 0.00 0.00 57.85 58.57 1s9f n ARG 242 Cb 0.43 -2.59 -0.09 0.00 -0.00 0.00 0.00 32.46 30.21 1s9f n ARG 242 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1s9f n LYS 243 N 4.17 2.01 -3.52 2.89 5.02 -1.26 -4.98 118.16 122.50 1s9f n LYS 243 Ca 0.18 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.28 1s9f n LYS 243 Cb 0.30 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 1s9f n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1s9f s SER 244 N -2.57 -0.63 -0.01 4.39 1.04 -1.26 -3.83 113.70 110.82 1s9f s SER 244 Ca 0.03 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1s9f s SER 244 Cb 0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1s9f s SER 244 CO 0.58 -0.62 0.00 -0.63 0.98 0.00 0.00 173.24 173.55 1s9f s ILE 245 N -1.39 0.04 0.35 -1.02 1.01 -0.36 -4.97 121.20 114.85 1s9f s ILE 245 Ca -0.09 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1s9f s ILE 245 Cb -0.00 -0.09 0.04 0.00 0.01 0.00 0.00 42.46 42.42 1s9f s ILE 245 CO 0.08 0.05 0.64 0.61 0.00 0.00 0.00 174.94 176.32 1s9f n GLY 246 N 3.53 1.36 3.47 6.18 0.00 -1.26 0.55 105.19 119.03 1s9f n GLY 246 Ca -0.19 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1s9f n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s9f s ARG 247 N -2.24 0.65 -0.02 1.61 6.06 -0.18 -4.93 118.95 119.90 1s9f s ARG 247 Ca 0.17 0.83 0.01 0.00 -2.50 0.00 0.00 55.73 54.24 1s9f s ARG 247 Cb -0.04 0.28 0.01 0.00 0.06 0.00 0.00 34.95 35.27 1s9f s ARG 247 CO 0.13 -0.09 -0.01 -1.50 -2.50 0.00 0.00 175.30 171.33 1s9f s ILE 248 N 0.50 0.17 0.27 4.11 2.07 -1.26 -0.90 121.20 126.15 1s9f s ILE 248 Ca -0.02 -0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.31 1s9f s ILE 248 Cb -0.04 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.28 1s9f s ILE 248 CO -0.02 0.10 -0.13 0.68 -1.91 0.00 0.00 174.94 173.66 1s9f s VAL 249 N 0.48 1.97 -0.19 4.00 -7.23 -0.50 -4.95 120.40 113.97 1s9f s VAL 249 Ca -0.05 -2.24 -0.11 0.00 -1.81 0.00 0.00 61.98 57.77 1s9f s VAL 249 Cb -0.07 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1s9f s VAL 249 CO -0.01 -0.40 0.19 -0.89 -0.31 0.00 0.00 175.10 173.68 1s9f s THR 250 N -2.81 5.37 0.39 5.32 2.01 -1.26 -1.45 115.64 123.20 1s9f s THR 250 Ca 0.28 0.32 -0.20 0.00 0.31 0.00 0.00 61.69 62.40 1s9f s THR 250 Cb -0.00 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 1s9f s THR 250 CO 0.12 0.41 0.89 -0.04 -0.69 0.00 0.00 174.62 175.30 1s9f s MET 251 N 0.51 4.20 0.31 4.92 -1.94 -0.64 -4.93 119.30 121.72 1s9f s MET 251 Ca 0.11 1.01 0.05 0.00 -1.71 0.00 0.00 55.69 55.15 1s9f s MET 251 Cb -0.12 -2.32 0.69 0.00 2.01 0.00 0.00 34.83 35.09 1s9f s MET 251 CO 0.01 0.06 1.81 0.87 -0.01 0.00 0.00 175.02 177.76 1s9f h LYS 252 N 2.16 0.81 -3.65 2.03 1.79 -1.89 -3.43 116.57 114.40 1s9f h LYS 252 Ca -0.48 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 57.79 1s9f h LYS 252 Cb 1.18 -0.18 -0.20 0.00 -1.58 0.00 0.00 32.23 31.45 1s9f h LYS 252 CO 0.63 0.54 -0.52 -0.98 -1.08 0.00 0.00 179.45 178.03 1s9f s ARG 253 N -5.86 0.49 0.89 3.15 1.70 -1.26 -4.69 118.95 113.37 1s9f s ARG 253 Ca -0.11 -0.52 -0.10 0.00 -0.47 0.00 0.00 55.73 54.52 1s9f s ARG 253 Cb 0.24 0.20 0.13 0.00 -0.57 0.00 0.00 34.95 34.94 1s9f s ARG 253 CO 0.80 -0.12 1.13 -0.80 -1.08 0.00 0.00 175.30 175.24 1s9f s ASN 254 N -1.59 3.21 -0.27 -2.89 0.02 -1.26 -4.91 114.94 107.25 1s9f s ASN 254 Ca -0.12 2.07 -0.38 0.00 -1.02 0.00 0.00 52.86 53.40 1s9f s ASN 254 Cb -0.06 -2.54 0.16 0.00 0.02 0.00 0.00 41.25 38.83 1s9f s ASN 254 CO -0.00 -2.90 1.39 -0.55 0.02 0.00 0.00 177.10 175.06 1s9f s SER 255 N -2.85 -0.01 -0.04 -1.22 0.15 -0.70 -4.90 113.70 104.14 1s9f s SER 255 Ca 0.65 -0.00 0.20 0.00 0.70 0.00 0.00 55.95 57.51 1s9f s SER 255 Cb -0.21 0.01 0.37 0.00 -1.71 0.00 0.00 66.02 64.48 1s9f s SER 255 CO 0.58 -0.02 1.16 -2.11 1.20 0.00 0.00 173.24 174.05 1s9f n ARG 256 N -0.07 0.29 -3.23 5.44 1.85 -1.26 -0.01 116.66 119.67 1s9f n ARG 256 Ca 0.04 -2.11 -0.44 0.00 -1.00 0.00 0.00 57.85 54.34 1s9f n ARG 256 Cb 0.57 -0.36 -0.06 0.00 -1.05 0.00 0.00 32.46 31.56 1s9f n ARG 256 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1s9f s ASN 257 N -2.10 6.19 0.26 2.89 3.04 -1.26 -4.96 114.94 118.99 1s9f s ASN 257 Ca 0.31 -1.17 -0.10 0.00 0.04 0.00 0.00 52.86 51.93 1s9f s ASN 257 Cb 0.34 -2.25 0.39 0.00 -1.54 0.00 0.00 41.25 38.18 1s9f s ASN 257 CO -0.13 -0.85 1.58 0.25 -3.04 0.00 0.00 177.10 174.91 1s9f h LEU 258 N 9.41 -0.86 -1.68 3.21 7.12 -1.99 0.49 115.31 131.01 1s9f h LEU 258 Ca -0.28 0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1s9f h LEU 258 Cb 1.10 0.57 -0.00 0.00 -0.53 0.00 0.00 40.66 41.79 1s9f h LEU 258 CO 0.96 -0.30 -0.04 -0.33 -0.13 0.00 0.00 178.44 178.60 1s9f h GLU 259 N -0.00 0.00 0.06 1.25 4.39 -2.01 -1.17 114.58 117.10 1s9f h GLU 259 Ca 0.42 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.86 1s9f h GLU 259 Cb 0.65 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1s9f h GLU 259 CO -0.92 0.04 -1.36 1.49 -1.16 0.00 0.00 179.01 177.10 1s9f h GLU 260 N 0.00 0.13 0.10 2.33 4.81 -0.51 -3.36 114.58 118.08 1s9f h GLU 260 Ca -0.00 -0.22 -0.26 0.00 -0.13 0.00 0.00 59.36 58.75 1s9f h GLU 260 Cb 0.45 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1s9f h GLU 260 CO 0.01 0.99 -1.18 0.82 -0.73 0.00 0.00 179.01 178.91 1s9f h ILE 261 N 0.04 1.53 -0.68 2.32 2.04 -0.64 -3.38 117.51 118.73 1s9f h ILE 261 Ca -0.16 -3.08 0.14 0.00 1.00 0.00 0.00 64.86 62.76 1s9f h ILE 261 Cb 1.93 2.90 -0.10 0.00 -0.74 0.00 0.00 36.82 40.81 1s9f h ILE 261 CO 0.14 0.90 0.15 0.11 0.00 0.00 0.00 178.15 179.45 1s9f h LYS 262 N 0.07 0.26 -1.00 2.37 1.57 -1.38 -1.97 116.57 116.49 1s9f h LYS 262 Ca -0.11 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.79 1s9f h LYS 262 Cb 1.91 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 34.08 1s9f h LYS 262 CO 0.19 0.17 0.63 -1.35 -0.57 0.00 0.00 179.45 178.52 1s9f h PRO 263 N 0.27 0.91 -0.19 3.15 0.11 -1.78 0.16 132.00 134.63 1s9f h PRO 263 Ca 0.37 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 1s9f h PRO 263 Cb 0.60 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1s9f h PRO 263 CO -0.47 0.61 -0.17 1.88 -0.21 0.00 0.00 178.00 179.63 1s9f h TYR 264 N 0.94 0.55 -0.48 0.65 0.05 -1.62 -2.41 116.97 114.65 1s9f h TYR 264 Ca 0.51 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1s9f h TYR 264 Cb 0.57 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1s9f h TYR 264 CO -0.00 0.81 0.32 1.25 -1.05 0.00 0.00 178.16 179.48 1s9f h LEU 265 N 0.13 0.56 -0.92 3.88 5.85 -0.72 -1.12 115.31 122.98 1s9f h LEU 265 Ca 0.03 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1s9f h LEU 265 Cb 0.71 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1s9f h LEU 265 CO 0.04 0.41 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.26 1s9f h PHE 266 N 0.65 0.80 -0.60 1.25 0.04 -0.77 -1.62 116.94 116.70 1s9f h PHE 266 Ca 0.18 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 1s9f h PHE 266 Cb -0.06 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1s9f h PHE 266 CO -0.04 0.77 0.19 -0.09 -0.60 0.00 0.00 178.31 178.54 1s9f h ARG 267 N 0.70 0.90 -0.55 1.51 2.43 -0.98 0.94 114.38 119.33 1s9f h ARG 267 Ca 0.13 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1s9f h ARG 267 Cb 0.48 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1s9f h ARG 267 CO 0.02 0.77 -0.00 0.00 -1.51 0.00 0.00 179.97 179.25 1s9f h ALA 268 N 1.33 0.95 -0.25 2.80 0.00 -0.55 -1.71 119.26 121.83 1s9f h ALA 268 Ca 0.20 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1s9f h ALA 268 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s9f h ALA 268 CO -0.01 0.63 -0.12 0.82 0.00 0.00 0.00 179.25 180.57 1s9f h ILE 269 N 0.87 1.30 0.44 0.00 2.04 -0.51 -1.95 117.51 119.70 1s9f h ILE 269 Ca 0.16 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1s9f h ILE 269 Cb 0.52 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1s9f h ILE 269 CO 0.03 0.37 -0.44 -0.33 0.00 0.00 0.00 178.15 177.78 1s9f h GLU 270 N 0.25 -0.85 0.00 2.37 4.39 -0.64 0.60 114.58 120.70 1s9f h GLU 270 Ca 0.06 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1s9f h GLU 270 Cb 0.62 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1s9f h GLU 270 CO 0.04 -0.57 0.00 0.39 -1.16 0.00 0.00 179.01 177.71 1s9f n GLU 271 N -5.11 0.02 -0.13 2.33 1.02 -0.66 -2.72 120.64 115.39 1s9f n GLU 271 Ca -0.11 0.46 -0.27 0.00 -0.02 0.00 0.00 57.16 57.23 1s9f n GLU 271 Cb 0.40 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.15 1s9f n GLU 271 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s9f n SER 272 N -1.61 1.94 0.19 1.62 2.88 -0.52 -3.95 113.62 114.17 1s9f n SER 272 Ca 0.01 0.32 0.12 0.00 -1.33 0.00 0.00 58.87 58.00 1s9f n SER 272 Cb 0.04 -0.83 0.69 0.00 -0.75 0.00 0.00 64.21 63.37 1s9f n SER 272 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1s9f h TYR 273 N -0.91 0.00 0.53 0.66 0.05 0.30 -0.91 116.97 116.70 1s9f h TYR 273 Ca -0.61 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.14 1s9f h TYR 273 Cb 1.58 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.32 1s9f h TYR 273 CO -0.03 0.00 -0.25 -0.92 -1.05 0.00 0.00 178.16 175.90 1s9f h TYR 274 N 0.00 -0.66 0.00 4.88 3.20 -1.70 -2.32 116.97 120.36 1s9f h TYR 274 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1s9f h TYR 274 Cb 0.30 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1s9f h TYR 274 CO 0.00 -0.39 0.02 0.87 -1.64 0.00 0.00 178.16 177.02 1s9f h LYS 275 N -0.76 0.00 0.21 1.82 1.57 -1.30 -3.07 116.57 115.04 1s9f h LYS 275 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1s9f h LYS 275 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1s9f h LYS 275 CO 0.12 0.00 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.83 1s9f h LEU 276 N 0.00 -0.24 -1.60 2.94 3.38 -1.05 -3.50 115.31 115.25 1s9f h LEU 276 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s9f h LEU 276 Cb 0.04 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1s9f h LEU 276 CO 0.00 -0.13 -0.41 -0.67 0.09 0.00 0.00 178.44 177.32 1s9f n ASP 277 N -2.99 -3.93 0.00 -0.43 2.03 -1.16 -3.65 116.55 106.42 1s9f n ASP 277 Ca -0.03 1.29 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1s9f n ASP 277 Cb 0.11 -3.05 0.00 0.00 -0.72 0.00 0.00 41.12 37.46 1s9f n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s9f n LYS 278 N 1.84 0.00 -1.85 -0.67 5.02 -1.26 -4.87 118.16 116.37 1s9f n LYS 278 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1s9f n LYS 278 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1s9f n LYS 278 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1s9f s ARG 279 N 0.00 4.18 -0.20 1.97 0.52 -1.24 -4.98 118.95 119.20 1s9f s ARG 279 Ca 0.00 2.46 0.01 0.00 -0.52 0.00 0.00 55.73 57.68 1s9f s ARG 279 Cb 0.00 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1s9f s ARG 279 CO 0.00 -0.66 -0.17 0.42 0.02 0.00 0.00 175.30 174.91 1s9f s ILE 280 N 1.07 2.14 0.36 1.52 1.01 -1.26 -4.87 121.20 121.17 1s9f s ILE 280 Ca 0.71 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.10 1s9f s ILE 280 Cb -0.46 -1.99 -0.10 0.00 0.01 0.00 0.00 42.46 39.92 1s9f s ILE 280 CO 0.33 0.40 0.84 -2.16 0.00 0.00 0.00 174.94 174.35 1s9f s PRO 281 N 1.26 4.15 0.00 2.79 0.04 -1.26 -0.90 135.00 141.07 1s9f s PRO 281 Ca 0.02 0.91 0.13 0.00 0.04 0.00 0.00 61.00 62.09 1s9f s PRO 281 Cb -0.15 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1s9f s PRO 281 CO -0.11 0.10 0.58 1.63 0.04 0.00 0.00 177.00 179.24 1s9f n LYS 282 N -0.37 2.66 -4.73 4.56 5.02 -0.54 0.04 118.16 124.80 1s9f n LYS 282 Ca 0.05 -0.15 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 1s9f n LYS 282 Cb 0.53 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.29 1s9f n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s9f s ALA 283 N -2.06 1.69 -0.01 7.82 0.00 -0.80 0.78 121.76 129.17 1s9f s ALA 283 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1s9f s ALA 283 Cb 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1s9f s ALA 283 CO 0.47 0.39 -0.04 -1.50 0.00 0.00 0.00 175.76 175.08 1s9f s ILE 284 N -0.69 0.37 -0.04 0.00 2.07 -0.32 -1.70 121.20 120.89 1s9f s ILE 284 Ca 0.07 -0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1s9f s ILE 284 Cb -0.08 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.18 1s9f s ILE 284 CO 0.01 0.12 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.04 1s9f s HIS 285 N 0.10 1.24 -0.23 3.50 3.76 -0.39 -0.78 115.29 122.48 1s9f s HIS 285 Ca -0.01 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.46 1s9f s HIS 285 Cb -0.04 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1s9f s HIS 285 CO -0.00 -0.15 0.11 0.08 -0.85 0.00 0.00 174.74 173.93 1s9f s VAL 286 N 0.26 4.92 -0.15 -0.90 1.01 0.07 -1.04 120.40 124.57 1s9f s VAL 286 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1s9f s VAL 286 Cb -0.11 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1s9f s VAL 286 CO 0.01 0.36 -0.06 -0.69 0.00 0.00 0.00 175.10 174.73 1s9f s VAL 287 N 1.10 3.67 -0.03 2.92 1.01 0.11 -2.11 120.40 127.07 1s9f s VAL 287 Ca 0.06 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1s9f s VAL 287 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 1s9f s VAL 287 CO 0.04 0.50 -0.16 0.00 0.00 0.00 0.00 175.10 175.49 1s9f s ALA 288 N 0.32 1.38 -0.26 5.51 0.00 0.15 0.11 121.76 128.98 1s9f s ALA 288 Ca -0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 1s9f s ALA 288 Cb -0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1s9f s ALA 288 CO 0.04 0.27 0.08 0.08 0.00 0.00 0.00 175.76 176.23 1s9f s VAL 289 N -0.03 4.37 0.97 0.00 1.01 0.19 -0.21 120.40 126.70 1s9f s VAL 289 Ca -0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1s9f s VAL 289 Cb -0.10 -3.06 0.17 0.00 0.00 0.00 0.00 36.38 33.39 1s9f s VAL 289 CO 0.01 0.31 1.13 0.42 0.00 0.00 0.00 175.10 176.97 1s9f s THR 290 N 1.62 1.97 0.56 3.92 -4.23 0.12 -0.29 115.64 119.31 1s9f s THR 290 Ca 0.06 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.82 1s9f s THR 290 Cb -0.15 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.36 1s9f s THR 290 CO 0.04 0.00 2.21 1.05 -0.54 0.00 0.00 174.62 177.38 1s9f h GLU 291 N -1.74 0.00 -0.67 3.99 4.11 -1.37 0.69 114.58 119.59 1s9f h GLU 291 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1s9f h GLU 291 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1s9f h GLU 291 CO 0.58 0.01 0.00 -0.40 0.07 0.00 0.00 179.01 179.27 1s9f n ASP 292 N -4.06 4.48 -1.17 3.06 3.85 -1.26 -4.91 116.55 116.53 1s9f n ASP 292 Ca -0.03 -2.64 -0.14 0.00 -0.71 0.00 0.00 54.79 51.27 1s9f n ASP 292 Cb 0.10 -0.62 -0.05 0.00 -1.35 0.00 0.00 41.12 39.20 1s9f n ASP 292 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1s9f n LEU 293 N 0.55 -1.13 -4.87 -2.12 4.77 0.24 -5.01 117.00 109.43 1s9f n LEU 293 Ca 0.21 0.30 -0.32 0.00 -0.03 0.00 0.00 56.01 56.17 1s9f n LEU 293 Cb 0.93 -2.13 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 1s9f n LEU 293 CO 0.24 -0.66 0.32 -0.62 -1.33 0.00 0.00 177.39 175.33 1s9f s ASP 294 N -2.78 6.67 -0.23 -1.43 3.68 -1.26 -4.77 116.67 116.55 1s9f s ASP 294 Ca 0.00 1.07 -0.08 0.00 2.13 0.00 0.00 52.55 55.67 1s9f s ASP 294 Cb 0.00 -2.29 -0.04 0.00 -1.45 0.00 0.00 42.92 39.14 1s9f s ASP 294 CO 0.00 -0.16 0.10 -0.63 0.13 0.00 0.00 175.17 174.60 1s9f s ILE 295 N -1.95 4.79 -0.03 4.11 1.01 -1.26 0.13 121.20 127.99 1s9f s ILE 295 Ca 0.50 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1s9f s ILE 295 Cb -0.11 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1s9f s ILE 295 CO 0.21 0.37 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 1s9f s VAL 296 N 1.07 1.38 0.04 2.92 1.01 0.71 -5.00 120.40 122.52 1s9f s VAL 296 Ca 0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1s9f s VAL 296 Cb -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1s9f s VAL 296 CO 0.04 0.40 0.19 -0.94 0.00 0.00 0.00 175.10 174.78 1s9f s SER 297 N -0.07 0.04 -0.01 3.32 1.04 -1.26 0.34 113.70 117.10 1s9f s SER 297 Ca -0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1s9f s SER 297 Cb -0.10 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.32 1s9f s SER 297 CO 0.01 -0.55 0.01 -0.13 0.98 0.00 0.00 173.24 173.57 1s9f s ARG 298 N -2.50 0.01 0.32 4.02 1.81 -0.90 -4.99 118.95 116.72 1s9f s ARG 298 Ca -0.06 0.07 0.06 0.00 -1.72 0.00 0.00 55.73 54.09 1s9f s ARG 298 Cb -0.01 -0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.32 1s9f s ARG 298 CO -0.04 -0.07 0.25 0.20 -0.68 0.00 0.00 175.30 174.96 1s9f s GLY 299 N 0.47 2.25 -0.20 -3.53 0.00 -1.26 -0.75 107.32 104.30 1s9f s GLY 299 Ca -0.04 -1.96 -0.17 0.00 0.00 0.00 0.00 44.72 42.55 1s9f s GLY 299 CO -0.01 -1.49 0.52 -1.60 0.00 0.00 0.00 173.10 170.51 1s9f s ARG 300 N -3.56 0.59 -0.16 2.90 3.52 0.04 -4.99 118.95 117.29 1s9f s ARG 300 Ca 0.39 0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 56.71 1s9f s ARG 300 Cb 0.03 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 1s9f s ARG 300 CO 0.25 -0.08 -0.04 0.99 -0.81 0.00 0.00 175.30 175.60 1s9f s THR 301 N 0.44 3.82 0.21 4.11 2.01 -1.26 -1.17 115.64 123.79 1s9f s THR 301 Ca -0.01 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1s9f s THR 301 Cb -0.04 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1s9f s THR 301 CO -0.01 0.49 0.30 -0.36 -0.69 0.00 0.00 174.62 174.35 1s9f s PHE 302 N 0.42 3.41 -1.75 4.92 0.40 0.23 -4.98 117.98 120.63 1s9f s PHE 302 Ca -0.04 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1s9f s PHE 302 Cb -0.14 -1.58 0.10 0.00 0.51 0.00 0.00 43.02 41.91 1s9f s PHE 302 CO 0.03 0.48 0.99 -0.35 0.70 0.00 0.00 175.22 177.07 1s9f n PRO 303 N -1.03 1.32 -4.01 0.24 -0.04 -1.26 -4.80 135.00 125.42 1s9f n PRO 303 Ca -0.08 -0.40 -0.11 0.00 -0.04 0.00 0.00 63.50 62.87 1s9f n PRO 303 Cb 0.56 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 1s9f n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1s9f s HIS 304 N -1.72 0.53 0.47 0.54 -3.43 -1.26 -5.15 115.29 105.26 1s9f s HIS 304 Ca 0.07 -0.89 -0.22 0.00 -0.80 0.00 0.00 55.06 53.22 1s9f s HIS 304 Cb 0.04 0.17 -0.07 0.00 -1.43 0.00 0.00 32.58 31.29 1s9f s HIS 304 CO 0.04 -1.08 1.14 0.20 -2.00 0.00 0.00 174.74 173.04 1s9f s GLY 305 N -3.08 2.74 -0.24 -1.38 0.00 -1.26 -4.44 107.32 99.65 1s9f s GLY 305 Ca 0.24 0.87 -0.17 0.00 0.00 0.00 0.00 44.72 45.66 1s9f s GLY 305 CO 0.12 1.31 0.48 -0.42 0.00 0.00 0.00 173.10 174.59 1s9f s ILE 306 N -1.61 5.10 0.70 0.90 1.01 0.11 -4.97 121.20 122.45 1s9f s ILE 306 Ca 0.64 0.84 -0.11 0.00 0.00 0.00 0.00 60.65 62.02 1s9f s ILE 306 Cb -0.27 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1s9f s ILE 306 CO 0.32 0.13 1.08 -0.94 0.00 0.00 0.00 174.94 175.53 1s9f s SER 307 N 1.43 5.32 0.20 3.58 1.04 -1.26 -4.69 113.70 119.31 1s9f s SER 307 Ca 0.21 1.00 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 1s9f s SER 307 Cb -0.15 -1.78 0.20 0.00 0.10 0.00 0.00 66.02 64.38 1s9f s SER 307 CO 0.09 -1.39 1.81 0.50 0.98 0.00 0.00 173.24 175.23 1s9f h LYS 308 N -0.64 0.65 -0.69 4.02 3.64 -1.99 -0.06 116.57 121.49 1s9f h LYS 308 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1s9f h LYS 308 Cb 1.27 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1s9f h LYS 308 CO 0.64 0.43 0.36 0.93 -2.27 0.00 0.00 179.45 179.54 1s9f h GLU 309 N 0.67 0.98 -0.55 1.90 4.39 -2.00 -1.07 114.58 118.91 1s9f h GLU 309 Ca 0.27 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1s9f h GLU 309 Cb 0.14 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1s9f h GLU 309 CO -0.16 0.75 0.05 1.15 -1.16 0.00 0.00 179.01 179.64 1s9f h THR 310 N 0.96 1.25 -0.14 1.13 2.02 -1.74 -2.02 112.91 114.36 1s9f h THR 310 Ca 0.24 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1s9f h THR 310 Cb 0.07 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1s9f h THR 310 CO -0.04 0.36 0.08 0.00 0.37 0.00 0.00 175.52 176.30 1s9f h ALA 311 N 1.21 0.18 -0.06 6.16 0.00 -0.39 0.16 119.26 126.52 1s9f h ALA 311 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1s9f h ALA 311 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1s9f h ALA 311 CO 0.01 -0.30 -0.15 1.88 0.00 0.00 0.00 179.25 180.70 1s9f h TYR 312 N 0.15 -0.38 -0.27 0.00 0.05 -0.99 0.15 116.97 115.68 1s9f h TYR 312 Ca 0.05 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1s9f h TYR 312 Cb 0.04 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1s9f h TYR 312 CO -0.05 -0.22 0.18 1.03 -1.05 0.00 0.00 178.16 178.05 1s9f h SER 313 N -0.22 0.31 0.18 3.88 0.87 -1.18 -2.67 113.55 114.72 1s9f h SER 313 Ca 0.07 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 1s9f h SER 313 Cb 0.31 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1s9f h SER 313 CO -0.19 0.24 -0.49 -0.08 -0.53 0.00 0.00 176.83 175.78 1s9f h GLU 314 N 0.36 0.36 -0.74 2.24 4.57 -0.50 -2.94 114.58 117.93 1s9f h GLU 314 Ca 0.10 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1s9f h GLU 314 Cb -0.03 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1s9f h GLU 314 CO -0.02 0.78 0.45 0.66 -1.18 0.00 0.00 179.01 179.70 1s9f h SER 315 N 0.29 0.88 -0.72 1.04 4.64 -0.53 -0.61 113.55 118.54 1s9f h SER 315 Ca 0.01 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1s9f h SER 315 Cb 0.97 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1s9f h SER 315 CO 0.08 0.68 0.37 0.58 -0.87 0.00 0.00 176.83 177.67 1s9f h VAL 316 N 1.00 1.23 -0.61 0.95 2.07 -1.41 -0.63 116.25 118.86 1s9f h VAL 316 Ca 0.26 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1s9f h VAL 316 Cb -0.04 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1s9f h VAL 316 CO -0.05 0.26 0.17 0.11 0.02 0.00 0.00 177.57 178.08 1s9f h LYS 317 N 1.00 0.96 -0.27 1.57 1.57 -1.23 -1.54 116.57 118.62 1s9f h LYS 317 Ca 0.25 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1s9f h LYS 317 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1s9f h LYS 317 CO -0.04 0.87 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.36 1s9f h LEU 318 N 0.87 0.56 -0.34 2.94 3.38 -0.83 -2.14 115.31 119.76 1s9f h LEU 318 Ca 0.19 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1s9f h LEU 318 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1s9f h LEU 318 CO -0.00 0.82 -0.08 0.25 0.09 0.00 0.00 178.44 179.52 1s9f h LEU 319 N 0.48 0.66 -1.33 1.67 5.85 -0.91 -1.91 115.31 119.82 1s9f h LEU 319 Ca 0.06 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1s9f h LEU 319 Cb 0.73 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1s9f h LEU 319 CO 0.06 0.87 0.24 1.56 -0.34 0.00 0.00 178.44 180.83 1s9f h GLN 320 N 0.45 0.70 -0.51 1.25 4.20 -1.14 -1.08 115.11 118.98 1s9f h GLN 320 Ca 0.09 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1s9f h GLN 320 Cb 0.57 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1s9f h GLN 320 CO 0.03 0.54 0.10 -0.22 -0.67 0.00 0.00 178.83 178.62 1s9f h LYS 321 N 0.70 0.82 -0.61 1.46 3.64 -1.08 0.29 116.57 121.80 1s9f h LYS 321 Ca 0.18 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1s9f h LYS 321 Cb 0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1s9f h LYS 321 CO -0.02 0.81 0.28 0.82 -2.27 0.00 0.00 179.45 179.06 1s9f h ILE 322 N 0.71 1.22 -0.24 2.00 2.04 -0.72 -0.48 117.51 122.04 1s9f h ILE 322 Ca 0.16 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1s9f h ILE 322 Cb 0.37 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1s9f h ILE 322 CO 0.01 0.26 0.11 -0.07 0.00 0.00 0.00 178.15 178.45 1s9f h LEU 323 N 0.84 0.32 -1.63 1.44 3.38 -0.92 0.14 115.31 118.88 1s9f h LEU 323 Ca 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1s9f h LEU 323 Cb 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1s9f h LEU 323 CO -0.02 0.37 -0.16 -0.33 0.09 0.00 0.00 178.44 178.39 1s9f h GLU 324 N 0.25 0.00 -0.01 1.13 5.08 -0.74 -3.12 114.58 117.16 1s9f h GLU 324 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1s9f h GLU 324 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1s9f h GLU 324 CO -0.01 0.16 -0.44 0.39 -1.00 0.00 0.00 179.01 178.11 1s9f n GLU 325 N -3.52 1.49 -3.89 2.33 1.02 -0.20 -4.92 120.64 112.94 1s9f n GLU 325 Ca -0.01 -0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 56.19 1s9f n GLU 325 Cb 0.31 -1.34 -0.16 0.00 -0.02 0.00 0.00 31.44 30.22 1s9f n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s9f s ASP 326 N -2.17 0.53 0.13 1.62 2.15 0.47 -5.04 116.67 114.34 1s9f s ASP 326 Ca 0.14 -0.02 0.06 0.00 0.43 0.00 0.00 52.55 53.16 1s9f s ASP 326 Cb 0.15 -0.22 -0.18 0.00 -0.30 0.00 0.00 42.92 42.37 1s9f s ASP 326 CO 0.50 -0.12 1.29 1.05 -0.17 0.00 0.00 175.17 177.71 1s9f h GLU 327 N 7.41 0.04 -7.01 4.34 4.11 -1.86 -3.41 114.58 118.21 1s9f h GLU 327 Ca -0.39 -0.06 -0.53 0.00 0.07 0.00 0.00 59.36 58.45 1s9f h GLU 327 Cb 1.13 0.02 0.21 0.00 0.50 0.00 0.00 28.75 30.61 1s9f h GLU 327 CO 0.44 1.00 -0.17 0.54 0.07 0.00 0.00 179.01 180.89 1s9f n ARG 328 N -3.41 -0.30 -2.43 1.06 1.74 -1.26 -5.01 116.66 107.05 1s9f n ARG 328 Ca -0.01 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 1s9f n ARG 328 Cb 0.93 -2.11 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 1s9f n ARG 328 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1s9f s LYS 329 N -4.04 3.68 -0.14 5.56 1.02 -1.26 -4.87 119.74 119.68 1s9f s LYS 329 Ca 0.63 0.54 -0.07 0.00 0.02 0.00 0.00 55.97 57.08 1s9f s LYS 329 Cb -0.23 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1s9f s LYS 329 CO 0.62 -0.28 0.12 0.42 -0.92 0.00 0.00 175.35 175.31 1s9f s ILE 330 N -2.76 5.31 -0.21 2.17 1.01 0.98 -0.99 121.20 126.71 1s9f s ILE 330 Ca 0.52 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 1s9f s ILE 330 Cb -0.10 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 1s9f s ILE 330 CO 0.42 0.56 -0.23 -1.14 0.00 0.00 0.00 174.94 174.55 1s9f n ARG 331 N 2.49 0.48 -4.43 2.79 0.63 0.61 -1.72 116.66 117.50 1s9f n ARG 331 Ca -0.19 0.16 -0.23 0.00 -0.92 0.00 0.00 57.85 56.68 1s9f n ARG 331 Cb 0.54 -1.33 -0.13 0.00 0.45 0.00 0.00 32.46 31.99 1s9f n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s9f s ARG 332 N -2.40 1.13 0.01 -0.14 0.52 -0.91 -1.62 118.95 115.54 1s9f s ARG 332 Ca -0.29 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 1s9f s ARG 332 Cb 0.09 -1.23 -0.01 0.00 0.52 0.00 0.00 34.95 34.32 1s9f s ARG 332 CO 0.42 0.30 -0.02 -1.50 0.02 0.00 0.00 175.30 174.52 1s9f s ILE 333 N -0.93 0.10 0.15 1.52 1.10 -0.53 -0.64 121.20 121.97 1s9f s ILE 333 Ca 0.04 -0.34 -0.10 0.00 -0.51 0.00 0.00 60.65 59.74 1s9f s ILE 333 Cb -0.09 -0.14 0.04 0.00 0.15 0.00 0.00 42.46 42.41 1s9f s ILE 333 CO 0.02 -0.15 0.49 0.61 -2.11 0.00 0.00 174.94 173.80 1s9f n GLY 334 N 2.55 1.16 3.03 1.50 0.00 0.12 -1.42 105.19 112.14 1s9f n GLY 334 Ca -0.16 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1s9f n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9f s VAL 335 N -2.40 0.26 -0.02 1.61 0.11 -0.08 0.08 120.40 119.95 1s9f s VAL 335 Ca 0.11 -1.21 -0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1s9f s VAL 335 Cb -0.02 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1s9f s VAL 335 CO 0.04 -0.61 0.03 -0.13 -3.33 0.00 0.00 175.10 171.10 1s9f s ARG 336 N -2.19 -0.01 -0.09 1.54 0.52 -0.21 -1.01 118.95 117.50 1s9f s ARG 336 Ca -0.08 0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.31 1s9f s ARG 336 Cb -0.05 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.07 1s9f s ARG 336 CO -0.03 -0.19 0.04 -0.06 0.02 0.00 0.00 175.30 175.08 1s9f s PHE 337 N 1.24 3.27 0.06 -0.53 0.08 0.19 -1.27 117.98 121.03 1s9f s PHE 337 Ca -0.07 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 1s9f s PHE 337 Cb -0.13 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1s9f s PHE 337 CO -0.03 0.54 0.08 -1.13 -0.10 0.00 0.00 175.22 174.59 1s9f n SER 338 N 2.01 -0.24 -3.49 1.36 3.41 -0.69 -1.23 113.62 114.77 1s9f n SER 338 Ca -0.18 -1.30 -0.23 0.00 -0.26 0.00 0.00 58.87 56.90 1s9f n SER 338 Cb 0.54 0.43 0.04 0.00 -0.26 0.00 0.00 64.21 64.97 1s9f n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s9f n LYS 339 N -0.09 -1.53 -2.24 4.33 5.02 -1.25 -1.91 118.16 120.48 1s9f n LYS 339 Ca -0.00 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.64 1s9f n LYS 339 Cb 0.09 -4.69 -0.00 0.00 -0.02 0.00 0.00 35.03 30.41 1s9f n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s9f s PHE 340 N -3.35 2.80 -2.00 2.13 0.08 -1.26 -1.46 117.98 114.92 1s9f s PHE 340 Ca 0.38 1.53 0.24 0.00 0.12 0.00 0.00 56.93 59.21 1s9f s PHE 340 Cb -0.11 -3.37 1.46 0.00 -0.57 0.00 0.00 43.02 40.43 1s9f s PHE 340 CO 0.82 -1.57 1.82 -0.89 -0.10 0.00 0.00 175.22 175.29