#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2a s VAL 8 N -2.29 2.36 -0.09 0.00 0.11 0.19 -4.89 120.40 115.79 1s2a s VAL 8 Ca 0.15 -1.12 -0.29 0.00 -2.93 0.00 0.00 61.98 57.80 1s2a s VAL 8 Cb -0.04 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1s2a s VAL 8 CO 0.06 0.50 0.97 -0.75 -3.33 0.00 0.00 175.10 172.54 1s2a s LYS 9 N -0.90 4.44 0.59 1.54 2.20 -1.26 -1.13 119.74 125.21 1s2a s LYS 9 Ca 0.11 1.33 -0.07 0.00 -0.36 0.00 0.00 55.97 56.98 1s2a s LYS 9 Cb -0.10 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1s2a s LYS 9 CO 0.01 -0.25 0.93 -0.51 -0.36 0.00 0.00 175.35 175.17 1s2a s LEU 10 N 1.78 3.26 0.00 5.43 1.43 0.57 -4.97 118.68 126.18 1s2a s LEU 10 Ca 0.47 0.93 0.17 0.00 -1.03 0.00 0.00 54.13 54.68 1s2a s LEU 10 Cb -0.19 -3.82 0.87 0.00 0.03 0.00 0.00 46.19 43.09 1s2a s LEU 10 CO 0.19 -0.98 1.50 -0.46 0.23 0.00 0.00 176.35 176.83 1s2a n ASN 11 N -2.61 0.00 -0.99 2.29 0.23 -1.26 -1.30 115.26 111.61 1s2a n ASN 11 Ca 0.04 0.01 0.09 0.00 -0.53 0.00 0.00 54.58 54.19 1s2a n ASN 11 Cb 0.56 -0.27 0.23 0.00 -2.08 0.00 0.00 39.78 38.22 1s2a n ASN 11 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1s2a n ASP 12 N -1.27 3.37 0.00 0.53 5.75 -1.26 -4.98 116.55 118.69 1s2a n ASP 12 Ca 0.08 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1s2a n ASP 12 Cb 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1s2a n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s2a n GLY 13 N 1.12 1.24 3.89 6.12 0.00 -0.42 -5.06 105.19 112.09 1s2a n GLY 13 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1s2a n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s2a s HIS 14 N -2.55 3.13 -0.02 1.61 3.76 -1.26 -4.80 115.29 115.17 1s2a s HIS 14 Ca 0.00 0.88 0.07 0.00 -0.15 0.00 0.00 55.06 55.87 1s2a s HIS 14 Cb 0.00 -3.28 -0.02 0.00 1.11 0.00 0.00 32.58 30.39 1s2a s HIS 14 CO 0.00 -1.47 -0.24 -0.06 -0.85 0.00 0.00 174.74 172.11 1s2a s PHE 15 N -3.46 2.20 -0.13 1.40 0.08 -1.26 -0.32 117.98 116.49 1s2a s PHE 15 Ca 0.60 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.24 1s2a s PHE 15 Cb -0.11 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1s2a s PHE 15 CO 0.50 -0.05 -0.18 1.41 -0.10 0.00 0.00 175.22 176.81 1s2a s MET 16 N -0.55 2.57 0.32 0.44 -2.45 -0.28 -4.94 119.30 114.40 1s2a s MET 16 Ca 0.09 -0.69 -0.29 0.00 -1.25 0.00 0.00 55.69 53.55 1s2a s MET 16 Cb -0.10 -2.14 -0.11 0.00 1.25 0.00 0.00 34.83 33.73 1s2a s MET 16 CO -0.01 -0.05 1.52 -2.14 1.05 0.00 0.00 175.02 175.38 1s2a s PRO 17 N 0.95 4.16 0.19 4.11 0.02 -1.26 -0.64 135.00 142.52 1s2a s PRO 17 Ca -0.06 2.51 0.25 0.00 0.02 0.00 0.00 61.00 63.72 1s2a s PRO 17 Cb -0.15 -3.02 0.89 0.00 0.02 0.00 0.00 34.50 32.24 1s2a s PRO 17 CO -0.02 -0.54 1.77 1.33 -0.33 0.00 0.00 177.00 179.21 1s2a n VAL 18 N 1.54 0.60 -4.28 3.83 0.24 -0.43 -4.54 118.33 115.29 1s2a n VAL 18 Ca 0.05 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 1s2a n VAL 18 Cb 0.39 -0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 31.89 1s2a n VAL 18 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1s2a s LEU 19 N -4.31 2.72 0.17 1.34 2.96 -1.26 -1.13 118.68 119.17 1s2a s LEU 19 Ca 0.09 -0.40 0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1s2a s LEU 19 Cb 0.12 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1s2a s LEU 19 CO 0.53 0.06 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.54 1s2a s GLY 20 N 1.00 1.66 -0.25 7.98 0.00 -0.11 -4.14 107.32 113.48 1s2a s GLY 20 Ca -0.01 -1.58 -0.15 0.00 0.00 0.00 0.00 44.72 42.98 1s2a s GLY 20 CO -0.01 -1.60 0.38 -0.12 0.00 0.00 0.00 173.10 171.75 1s2a s PHE 21 N -1.48 3.29 -0.07 1.90 2.19 0.66 -1.22 117.98 123.24 1s2a s PHE 21 Ca 0.18 0.48 -0.29 0.00 0.33 0.00 0.00 56.93 57.64 1s2a s PHE 21 Cb -0.09 -2.55 -0.02 0.00 -1.31 0.00 0.00 43.02 39.05 1s2a s PHE 21 CO 0.09 -0.15 0.96 0.20 1.83 0.00 0.00 175.22 178.15 1s2a s GLY 22 N 1.42 2.53 0.00 13.12 0.00 -0.53 -1.17 107.32 122.70 1s2a s GLY 22 Ca 0.16 0.38 0.18 0.00 0.00 0.00 0.00 44.72 45.45 1s2a s GLY 22 CO 0.09 1.77 0.94 -1.30 0.00 0.00 0.00 173.10 174.60 1s2a n THR 23 N 4.30 0.00 -2.13 0.90 -2.24 -1.05 -4.26 114.28 109.79 1s2a n THR 23 Ca 0.07 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1s2a n THR 23 Cb 0.50 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 1s2a n THR 23 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1s2a s TYR 24 N -1.98 3.21 0.04 4.78 5.04 -1.26 -4.98 117.35 122.19 1s2a s TYR 24 Ca 0.16 0.96 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 1s2a s TYR 24 Cb 0.14 -3.71 -0.02 0.00 0.35 0.00 0.00 41.96 38.72 1s2a s TYR 24 CO 0.42 -2.46 -0.08 0.00 -1.34 0.00 0.00 175.55 172.09 1s2a s ALA 25 N 0.85 0.60 0.84 3.97 0.00 -1.26 -4.99 121.76 121.77 1s2a s ALA 25 Ca 0.64 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1s2a s ALA 25 Cb -0.38 0.02 0.10 0.00 0.00 0.00 0.00 23.12 22.85 1s2a s ALA 25 CO 0.33 0.01 1.14 -1.25 0.00 0.00 0.00 175.76 175.98 1s2a s PRO 26 N -1.43 1.60 0.56 0.00 0.04 -1.26 -4.88 135.00 129.63 1s2a s PRO 26 Ca -0.08 1.46 0.25 0.00 0.04 0.00 0.00 61.00 62.68 1s2a s PRO 26 Cb -0.09 -1.80 1.50 0.00 0.04 0.00 0.00 34.50 34.15 1s2a s PRO 26 CO 0.00 -2.19 2.07 -1.00 0.04 0.00 0.00 177.00 175.93 1s2a h PRO 27 N -1.37 0.00 0.00 0.56 0.13 -2.01 -1.06 132.00 128.25 1s2a h PRO 27 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1s2a h PRO 27 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1s2a h PRO 27 CO 0.46 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.28 1s2a h GLU 28 N 0.00 0.00 -6.14 0.86 9.09 -2.05 -3.41 114.58 112.92 1s2a h GLU 28 Ca 0.12 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.97 1s2a h GLU 28 Cb 0.57 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.62 1s2a h GLU 28 CO -0.00 0.00 0.47 0.08 0.05 0.00 0.00 179.01 179.61 1s2a s VAL 29 N -3.68 4.84 0.43 -1.06 1.01 -0.40 -5.02 120.40 116.52 1s2a s VAL 29 Ca 0.00 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.61 1s2a s VAL 29 Cb 0.10 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1s2a s VAL 29 CO 0.47 0.03 1.07 -2.65 0.00 0.00 0.00 175.10 174.02 1s2a n PRO 30 N 4.96 1.45 0.18 2.72 -0.02 -1.26 -4.87 135.00 138.17 1s2a n PRO 30 Ca 0.07 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 1s2a n PRO 30 Cb 0.49 -2.12 0.50 0.00 -0.02 0.00 0.00 33.50 32.35 1s2a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s2a h ARG 31 N 1.61 0.12 0.00 -0.52 2.47 -1.95 -2.27 114.38 113.84 1s2a h ARG 31 Ca -0.45 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.23 1s2a h ARG 31 Cb 1.33 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1s2a h ARG 31 CO 0.57 0.20 -0.07 0.66 0.56 0.00 0.00 179.97 181.89 1s2a h SER 32 N 0.12 0.00 -0.59 7.04 4.64 -1.99 -2.88 113.55 119.88 1s2a h SER 32 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1s2a h SER 32 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1s2a h SER 32 CO 0.01 0.07 0.33 0.11 -0.87 0.00 0.00 176.83 176.49 1s2a h LYS 33 N 0.00 0.84 -0.58 4.77 1.79 -1.76 -2.51 116.57 119.11 1s2a h LYS 33 Ca -0.00 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1s2a h LYS 33 Cb 0.19 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1s2a h LYS 33 CO 0.01 0.62 0.38 0.00 -1.08 0.00 0.00 179.45 179.38 1s2a h ALA 34 N 1.52 1.76 -0.02 3.86 0.00 -1.70 -0.76 119.26 123.92 1s2a h ALA 34 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s2a h ALA 34 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1s2a h ALA 34 CO -0.04 0.16 0.00 1.25 0.00 0.00 0.00 179.25 180.63 1s2a h LEU 35 N 0.62 0.03 -0.04 0.00 5.85 -1.62 -2.22 115.31 117.93 1s2a h LEU 35 Ca 0.24 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s2a h LEU 35 Cb 0.17 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1s2a h LEU 35 CO -0.07 0.28 0.02 -0.33 -0.34 0.00 0.00 178.44 178.00 1s2a h GLU 36 N -0.21 0.06 0.00 1.25 5.08 -1.31 -2.65 114.58 116.80 1s2a h GLU 36 Ca 0.01 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1s2a h GLU 36 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1s2a h GLU 36 CO 0.00 0.10 -0.67 -0.39 -1.00 0.00 0.00 179.01 177.05 1s2a h VAL 37 N 0.00 1.38 -0.32 3.13 -1.51 -1.23 -1.95 116.25 115.77 1s2a h VAL 37 Ca 0.01 -2.35 -0.15 0.00 -1.23 0.00 0.00 66.70 62.98 1s2a h VAL 37 Cb 0.06 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1s2a h VAL 37 CO -0.00 0.65 -0.40 0.74 -1.23 0.00 0.00 177.57 177.33 1s2a h THR 38 N 0.00 1.29 -0.59 7.19 2.02 -1.35 0.13 112.91 121.59 1s2a h THR 38 Ca -0.01 -1.58 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 1s2a h THR 38 Cb 1.25 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1s2a h THR 38 CO 0.09 0.51 0.26 0.11 0.37 0.00 0.00 175.52 176.86 1s2a h LYS 39 N 0.63 0.87 -0.86 6.66 1.57 -1.28 -1.73 116.57 122.42 1s2a h LYS 39 Ca 0.05 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1s2a h LYS 39 Cb 0.96 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1s2a h LYS 39 CO 0.09 0.73 0.48 -0.07 -0.57 0.00 0.00 179.45 180.11 1s2a h LEU 40 N 0.82 1.08 -0.42 2.94 3.38 -1.01 -0.99 115.31 121.10 1s2a h LEU 40 Ca 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s2a h LEU 40 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1s2a h LEU 40 CO -0.02 0.86 0.25 0.00 0.09 0.00 0.00 178.44 179.62 1s2a h ALA 41 N 1.26 0.54 -0.60 1.53 0.00 -0.44 -0.50 119.26 121.05 1s2a h ALA 41 Ca 0.30 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1s2a h ALA 41 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1s2a h ALA 41 CO -0.05 0.03 -0.00 0.82 0.00 0.00 0.00 179.25 180.05 1s2a h ILE 42 N 0.56 1.26 -0.65 0.00 2.04 -1.07 -0.70 117.51 118.94 1s2a h ILE 42 Ca 0.15 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1s2a h ILE 42 Cb 0.01 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1s2a h ILE 42 CO -0.03 0.41 0.31 -0.33 0.00 0.00 0.00 178.15 178.52 1s2a h GLU 43 N 0.95 0.93 0.00 2.37 5.08 -0.89 -2.45 114.58 120.58 1s2a h GLU 43 Ca 0.17 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1s2a h GLU 43 Cb 0.55 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1s2a h GLU 43 CO 0.03 0.72 -0.03 0.00 -1.00 0.00 0.00 179.01 178.73 1s2a h ALA 44 N 1.42 1.00 0.00 3.43 0.00 -0.67 -3.47 119.26 120.97 1s2a h ALA 44 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1s2a h ALA 44 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1s2a h ALA 44 CO -0.03 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1s2a n GLY 45 N 0.34 0.89 3.76 0.00 0.00 -0.90 -4.93 105.19 104.36 1s2a n GLY 45 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1s2a n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s2a s PHE 46 N -1.72 2.99 0.00 1.61 0.08 -0.32 -4.90 117.98 115.72 1s2a s PHE 46 Ca 0.00 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1s2a s PHE 46 Cb 0.00 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1s2a s PHE 46 CO 0.00 -2.30 0.00 0.54 -0.10 0.00 0.00 175.22 173.36 1s2a n ARG 47 N 1.40 2.99 -3.83 0.44 5.12 -1.26 -4.20 116.66 117.31 1s2a n ARG 47 Ca 0.03 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.59 1s2a n ARG 47 Cb 0.41 -0.66 -0.10 0.00 -1.16 0.00 0.00 32.46 30.94 1s2a n ARG 47 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1s2a s HIS 48 N -1.15 3.22 -0.10 -1.55 2.46 -1.26 -0.25 115.29 116.67 1s2a s HIS 48 Ca 0.00 -0.01 0.01 0.00 0.47 0.00 0.00 55.06 55.53 1s2a s HIS 48 Cb 0.00 -2.19 0.02 0.00 -0.13 0.00 0.00 32.58 30.28 1s2a s HIS 48 CO 0.00 -0.02 -0.12 0.42 -2.47 0.00 0.00 174.74 172.55 1s2a s ILE 49 N 0.95 1.25 -0.27 0.89 1.01 0.25 -0.25 121.20 125.03 1s2a s ILE 49 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 1s2a s ILE 49 Cb -0.14 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1s2a s ILE 49 CO 0.03 0.39 0.03 -0.62 0.00 0.00 0.00 174.94 174.78 1s2a s ASP 50 N 1.10 4.86 0.01 3.58 2.15 -0.32 -1.27 116.67 126.79 1s2a s ASP 50 Ca -0.05 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.23 1s2a s ASP 50 Cb -0.14 -1.82 -0.00 0.00 -0.30 0.00 0.00 42.92 40.66 1s2a s ASP 50 CO -0.02 -0.15 0.00 -0.24 -0.17 0.00 0.00 175.17 174.59 1s2a n SER 51 N 4.81 1.11 -3.59 -0.34 2.88 -0.23 -2.55 113.62 115.71 1s2a n SER 51 Ca -0.15 -1.07 -0.05 0.00 -1.33 0.00 0.00 58.87 56.26 1s2a n SER 51 Cb 0.48 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1s2a n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s2a s ALA 52 N -2.03 -2.04 0.22 -1.46 0.00 -1.26 -4.00 121.76 111.18 1s2a s ALA 52 Ca 0.01 1.61 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 1s2a s ALA 52 Cb 0.00 -0.45 0.28 0.00 0.00 0.00 0.00 23.12 22.95 1s2a s ALA 52 CO 0.00 -0.48 1.80 1.25 0.00 0.00 0.00 175.76 178.33 1s2a h HIS 53 N 2.11 0.69 -0.56 0.00 -0.00 -1.94 -2.59 115.15 112.86 1s2a h HIS 53 Ca -0.11 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.40 1s2a h HIS 53 Cb 1.18 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.35 1s2a h HIS 53 CO 0.26 0.31 0.38 1.25 -0.00 0.00 0.00 177.93 180.14 1s2a h LEU 54 N 0.68 0.20 -0.23 0.26 5.85 -1.96 -2.82 115.31 117.29 1s2a h LEU 54 Ca 0.32 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1s2a h LEU 54 Cb 0.24 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1s2a h LEU 54 CO -0.21 0.11 0.00 -1.22 -0.34 0.00 0.00 178.44 176.79 1s2a n TYR 55 N -4.44 0.56 -3.78 1.25 0.53 -0.97 -4.89 117.16 105.41 1s2a n TYR 55 Ca 0.10 0.19 -0.27 0.00 -1.02 0.00 0.00 57.90 56.89 1s2a n TYR 55 Cb 0.47 -0.81 0.05 0.00 -1.03 0.00 0.00 39.34 38.03 1s2a n TYR 55 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1s2a n ASN 56 N -1.98 -5.30 0.00 7.72 4.05 -1.07 -4.83 115.26 113.85 1s2a n ASN 56 Ca 0.04 -0.68 0.00 0.00 0.45 0.00 0.00 54.58 54.39 1s2a n ASN 56 Cb 0.30 -4.36 0.00 0.00 1.23 0.00 0.00 39.78 36.95 1s2a n ASN 56 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1s2a n ASN 57 N -2.92 0.05 -0.00 1.20 0.23 -1.26 -4.92 115.26 107.63 1s2a n ASN 57 Ca 0.02 -1.02 -0.01 0.00 -0.53 0.00 0.00 54.58 53.04 1s2a n ASN 57 Cb 0.55 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.51 1s2a n ASN 57 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1s2a h GLU 58 N 0.00 0.53 -0.54 -3.83 5.08 -1.89 -0.55 114.58 113.39 1s2a h GLU 58 Ca 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1s2a h GLU 58 Cb 0.84 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1s2a h GLU 58 CO 0.00 0.60 0.31 0.93 -1.00 0.00 0.00 179.01 179.85 1s2a h GLU 59 N 0.50 0.75 -0.16 2.33 5.08 -1.92 0.27 114.58 121.43 1s2a h GLU 59 Ca 0.10 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1s2a h GLU 59 Cb 0.41 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s2a h GLU 59 CO 0.02 0.56 -0.29 1.96 -1.00 0.00 0.00 179.01 180.26 1s2a h GLN 60 N 0.73 0.48 -0.38 2.33 7.50 -1.72 -1.18 115.11 122.87 1s2a h GLN 60 Ca 0.19 -0.30 -0.04 0.00 0.50 0.00 0.00 58.65 59.00 1s2a h GLN 60 Cb 0.02 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 1s2a h GLN 60 CO -0.03 0.90 0.07 0.28 -1.50 0.00 0.00 178.83 178.55 1s2a h VAL 61 N 0.11 1.24 -0.73 -0.54 2.07 -1.08 -1.41 116.25 115.90 1s2a h VAL 61 Ca 0.01 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1s2a h VAL 61 Cb 0.87 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1s2a h VAL 61 CO 0.06 0.28 0.48 1.23 0.02 0.00 0.00 177.57 179.65 1s2a h GLY 62 N 0.46 1.03 1.27 2.17 0.00 -0.94 -2.00 103.07 105.05 1s2a h GLY 62 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1s2a h GLY 62 CO 0.01 0.36 0.08 -2.00 0.00 0.00 0.00 176.54 174.98 1s2a h LEU 63 N 0.97 0.86 -0.48 3.11 5.85 -0.94 -0.63 115.31 124.04 1s2a h LEU 63 Ca 0.27 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1s2a h LEU 63 Cb -0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1s2a h LEU 63 CO -0.07 0.88 0.31 0.00 -0.34 0.00 0.00 178.44 179.22 1s2a h ALA 64 N 1.23 0.61 -0.17 1.25 0.00 -0.83 0.20 119.26 121.54 1s2a h ALA 64 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1s2a h ALA 64 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s2a h ALA 64 CO 0.01 0.04 0.07 0.82 0.00 0.00 0.00 179.25 180.19 1s2a h ILE 65 N 0.63 1.15 -0.18 0.00 2.04 -1.01 -2.41 117.51 117.75 1s2a h ILE 65 Ca 0.18 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1s2a h ILE 65 Cb -0.05 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1s2a h ILE 65 CO -0.05 0.14 -0.08 0.03 0.00 0.00 0.00 178.15 178.19 1s2a h ARG 66 N 0.13 0.27 -0.29 2.37 3.08 -0.86 -1.15 114.38 117.94 1s2a h ARG 66 Ca 0.06 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1s2a h ARG 66 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1s2a h ARG 66 CO -0.01 0.37 -0.47 1.03 -1.07 0.00 0.00 179.97 179.82 1s2a h SER 67 N 0.26 0.84 1.59 7.04 0.87 -0.78 -0.42 113.55 122.95 1s2a h SER 67 Ca 0.06 -0.41 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1s2a h SER 67 Cb 0.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1s2a h SER 67 CO 0.02 1.17 -0.18 0.11 -0.53 0.00 0.00 176.83 177.41 1s2a h LYS 68 N 0.61 0.00 -0.03 2.24 1.79 -0.98 -2.29 116.57 117.91 1s2a h LYS 68 Ca 0.03 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 1s2a h LYS 68 Cb 1.04 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.70 1s2a h LYS 68 CO 0.10 0.18 -0.63 0.82 -1.08 0.00 0.00 179.45 178.84 1s2a h ILE 69 N 0.00 1.39 0.00 1.86 2.04 -1.04 -1.39 117.51 120.37 1s2a h ILE 69 Ca -0.00 -2.03 -0.08 0.00 1.00 0.00 0.00 64.86 63.75 1s2a h ILE 69 Cb 1.03 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1s2a h ILE 69 CO 0.02 0.60 -0.39 0.00 0.00 0.00 0.00 178.15 178.39 1s2a h ALA 70 N 0.37 1.35 -0.04 1.87 0.00 -0.95 -2.56 119.26 119.31 1s2a h ALA 70 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s2a h ALA 70 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s2a h ALA 70 CO 0.13 0.49 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1s2a n ASP 71 N -4.07 2.22 0.00 0.00 5.68 -0.87 -4.96 116.55 114.55 1s2a n ASP 71 Ca -0.02 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1s2a n ASP 71 Cb 0.42 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1s2a n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s2a n GLY 72 N 1.26 0.76 0.26 6.12 0.00 -0.96 -4.96 105.19 107.68 1s2a n GLY 72 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1s2a n GLY 72 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s2a h SER 73 N 0.00 0.96 -5.40 1.61 0.02 -1.51 -3.46 113.55 105.77 1s2a h SER 73 Ca 0.00 -0.43 -0.17 0.00 -0.84 0.00 0.00 61.79 60.34 1s2a h SER 73 Cb 0.00 -0.27 -0.15 0.00 0.14 0.00 0.00 62.40 62.12 1s2a h SER 73 CO 0.00 1.22 -0.60 0.68 -1.14 0.00 0.00 176.83 177.00 1s2a s VAL 74 N -4.40 0.10 0.22 2.27 -7.23 -0.91 -5.04 120.40 105.41 1s2a s VAL 74 Ca -0.11 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1s2a s VAL 74 Cb 0.11 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1s2a s VAL 74 CO 0.88 -0.44 0.20 -0.54 -0.31 0.00 0.00 175.10 174.89 1s2a s LYS 75 N -4.04 3.00 0.28 4.82 1.02 -1.26 -4.10 119.74 119.46 1s2a s LYS 75 Ca 0.23 -0.96 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 1s2a s LYS 75 Cb 0.07 -2.64 0.46 0.00 -0.52 0.00 0.00 37.83 35.20 1s2a s LYS 75 CO 0.01 0.43 1.89 -0.09 -0.92 0.00 0.00 175.35 176.68 1s2a h ARG 76 N 1.71 1.09 0.00 1.68 9.65 -1.96 -1.24 114.38 125.31 1s2a h ARG 76 Ca -0.49 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1s2a h ARG 76 Cb 1.23 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1s2a h ARG 76 CO 0.62 0.72 0.00 1.05 2.80 0.00 0.00 179.97 185.16 1s2a h GLU 77 N 1.12 0.00 0.00 0.20 4.11 -2.04 -2.11 114.58 115.86 1s2a h GLU 77 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1s2a h GLU 77 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1s2a h GLU 77 CO -0.17 0.00 -0.46 -0.44 0.07 0.00 0.00 179.01 178.01 1s2a h ASP 78 N 0.00 0.00 -2.72 3.06 3.32 -1.62 -3.46 116.42 115.00 1s2a h ASP 78 Ca 0.00 -0.04 -0.66 0.00 0.02 0.00 0.00 57.03 56.35 1s2a h ASP 78 Cb 0.21 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1s2a h ASP 78 CO 0.00 0.02 -0.45 -0.63 -1.72 0.00 0.00 179.24 176.46 1s2a s ILE 79 N -3.24 5.45 -0.32 0.35 -1.09 -0.80 -4.84 121.20 116.72 1s2a s ILE 79 Ca 0.05 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1s2a s ILE 79 Cb 0.09 -3.44 0.07 0.00 -1.58 0.00 0.00 42.46 37.60 1s2a s ILE 79 CO 0.71 0.60 0.02 0.12 -1.23 0.00 0.00 174.94 175.17 1s2a s PHE 80 N -0.95 3.37 -0.17 3.97 5.36 0.66 -4.94 117.98 125.29 1s2a s PHE 80 Ca 0.16 -2.16 -0.03 0.00 -0.96 0.00 0.00 56.93 53.94 1s2a s PHE 80 Cb -0.12 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1s2a s PHE 80 CO 0.05 -0.86 -0.05 -0.47 -1.46 0.00 0.00 175.22 172.42 1s2a s TYR 81 N 1.17 2.97 -0.11 10.12 5.04 -1.26 -0.59 117.35 134.69 1s2a s TYR 81 Ca -0.02 -0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1s2a s TYR 81 Cb -0.20 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 1s2a s TYR 81 CO -0.03 -0.18 -0.08 0.99 -1.34 0.00 0.00 175.55 174.91 1s2a s THR 82 N 0.61 3.52 0.46 4.34 2.01 -0.40 -0.63 115.64 125.55 1s2a s THR 82 Ca -0.03 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1s2a s THR 82 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1s2a s THR 82 CO 0.03 0.54 0.09 -0.55 -0.69 0.00 0.00 174.62 174.04 1s2a s SER 83 N -0.09 3.33 -0.03 3.53 0.15 -0.75 -1.07 113.70 118.78 1s2a s SER 83 Ca 0.00 -1.71 -0.06 0.00 0.70 0.00 0.00 55.95 54.88 1s2a s SER 83 Cb -0.13 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1s2a s SER 83 CO 0.03 -0.95 0.14 -0.54 1.20 0.00 0.00 173.24 173.12 1s2a s LYS 84 N -3.74 0.34 -0.25 5.44 1.02 -1.26 -1.94 119.74 119.35 1s2a s LYS 84 Ca 0.15 -0.11 -0.27 0.00 0.02 0.00 0.00 55.97 55.77 1s2a s LYS 84 Cb 0.01 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1s2a s LYS 84 CO 0.10 -0.07 0.93 -1.17 -0.92 0.00 0.00 175.35 174.22 1s2a s LEU 85 N -0.69 4.07 0.64 3.17 2.96 0.80 -3.26 118.68 126.37 1s2a s LEU 85 Ca -0.08 1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.83 1s2a s LEU 85 Cb -0.05 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1s2a s LEU 85 CO 0.01 -0.62 1.06 0.86 -1.32 0.00 0.00 176.35 176.33 1s2a s TRP 86 N 3.08 3.05 -0.32 5.38 -0.00 -1.26 -1.97 118.94 126.89 1s2a s TRP 86 Ca 0.39 1.47 0.26 0.00 -0.00 0.00 0.00 56.10 58.22 1s2a s TRP 86 Cb -0.15 -2.95 1.10 0.00 -0.00 0.00 0.00 33.47 31.48 1s2a s TRP 86 CO 0.08 -1.15 1.77 0.77 -0.00 0.00 0.00 176.95 178.42 1s2a h SER 87 N -0.05 0.00 -0.01 5.86 0.02 -1.89 -1.11 113.55 116.37 1s2a h SER 87 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1s2a h SER 87 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s2a h SER 87 CO 0.57 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.61 1s2a n THR 88 N -2.42 0.00 -1.31 -2.27 -2.24 -1.26 -1.05 114.28 103.74 1s2a n THR 88 Ca 0.01 -0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1s2a n THR 88 Cb 0.23 -0.21 0.19 0.00 -2.10 0.00 0.00 70.33 68.43 1s2a n THR 88 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1s2a n PHE 89 N -0.66 0.30 0.18 4.78 3.01 -0.42 -4.25 117.46 120.40 1s2a n PHE 89 Ca 0.22 -1.26 0.03 0.00 1.01 0.00 0.00 57.45 57.46 1s2a n PHE 89 Cb 0.18 -0.26 0.32 0.00 -0.01 0.00 0.00 39.48 39.70 1s2a n PHE 89 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1s2a h HIS 90 N 0.74 0.00 -2.69 1.38 3.86 -1.70 -3.34 115.15 113.39 1s2a h HIS 90 Ca 0.04 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.72 1s2a h HIS 90 Cb 1.17 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.70 1s2a h HIS 90 CO 0.50 0.43 0.97 0.54 0.86 0.00 0.00 177.93 181.24 1s2a n ARG 91 N -3.73 2.71 -0.29 2.45 1.74 -1.26 -4.35 116.66 113.93 1s2a n ARG 91 Ca -0.01 0.98 0.10 0.00 -0.77 0.00 0.00 57.85 58.14 1s2a n ARG 91 Cb 0.50 -2.81 0.33 0.00 -1.02 0.00 0.00 32.46 29.47 1s2a n ARG 91 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1s2a h PRO 92 N 6.43 0.77 0.00 5.56 0.10 -1.85 0.14 132.00 143.16 1s2a h PRO 92 Ca -0.44 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1s2a h PRO 92 Cb 1.21 -0.17 0.00 0.00 0.10 0.00 0.00 31.00 32.14 1s2a h PRO 92 CO 0.93 0.51 0.00 1.05 0.10 0.00 0.00 178.00 180.59 1s2a h GLU 93 N 0.80 0.00 -0.00 1.05 9.09 -1.92 -2.59 114.58 121.00 1s2a h GLU 93 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1s2a h GLU 93 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1s2a h GLU 93 CO -0.21 0.00 -0.62 1.28 0.05 0.00 0.00 179.01 179.51 1s2a n LEU 94 N -2.61 1.08 0.06 3.06 4.77 0.04 -4.56 117.00 118.84 1s2a n LEU 94 Ca -0.01 -0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 55.49 1s2a n LEU 94 Cb 0.10 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1s2a n LEU 94 CO 0.16 0.23 0.42 0.58 -1.33 0.00 0.00 177.39 177.45 1s2a h VAL 95 N 0.73 0.86 -0.44 4.08 2.07 -1.52 -2.13 116.25 119.89 1s2a h VAL 95 Ca 0.00 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1s2a h VAL 95 Cb 0.55 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1s2a h VAL 95 CO 0.00 0.22 0.19 -0.09 0.02 0.00 0.00 177.57 177.91 1s2a h ARG 96 N -0.84 0.65 -0.88 1.57 2.43 -1.80 -1.56 114.38 113.95 1s2a h ARG 96 Ca -0.02 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1s2a h ARG 96 Cb 0.53 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1s2a h ARG 96 CO 0.04 0.58 0.57 -1.35 -1.51 0.00 0.00 179.97 178.30 1s2a h PRO 97 N 0.57 0.96 -0.57 0.20 0.11 -1.80 0.95 132.00 132.42 1s2a h PRO 97 Ca 0.15 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1s2a h PRO 97 Cb 0.16 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 1s2a h PRO 97 CO -0.02 0.64 0.24 0.00 -0.21 0.00 0.00 178.00 178.65 1s2a h ALA 98 N 1.52 0.74 -0.41 -0.75 0.00 -0.86 -1.04 119.26 118.46 1s2a h ALA 98 Ca 0.38 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1s2a h ALA 98 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1s2a h ALA 98 CO -0.14 0.33 0.01 1.25 0.00 0.00 0.00 179.25 180.71 1s2a h LEU 99 N 0.77 0.70 -1.25 0.00 5.85 -0.71 -1.84 115.31 118.84 1s2a h LEU 99 Ca 0.19 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1s2a h LEU 99 Cb 0.18 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1s2a h LEU 99 CO -0.02 0.82 0.51 -0.33 -0.34 0.00 0.00 178.44 179.09 1s2a h GLU 100 N 0.55 1.01 -0.55 1.25 5.08 -0.63 -0.59 114.58 120.69 1s2a h GLU 100 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1s2a h GLU 100 Cb 0.46 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1s2a h GLU 100 CO 0.02 0.67 0.14 -0.97 -1.00 0.00 0.00 179.01 177.87 1s2a h ASN 101 N 1.04 0.83 -0.67 1.42 -1.24 -0.98 -0.58 115.58 115.38 1s2a h ASN 101 Ca 0.29 -0.23 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 1s2a h ASN 101 Cb -0.10 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.70 1s2a h ASN 101 CO -0.07 0.84 0.14 0.28 -1.29 0.00 0.00 177.43 177.33 1s2a h SER 102 N 0.78 1.05 -0.56 1.15 0.02 -0.48 -0.64 113.55 114.86 1s2a h SER 102 Ca 0.17 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1s2a h SER 102 Cb 0.33 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1s2a h SER 102 CO 0.00 1.02 0.07 -0.07 -1.14 0.00 0.00 176.83 176.71 1s2a h LEU 103 N 1.04 0.91 -0.63 5.07 3.38 -0.95 -1.51 115.31 122.62 1s2a h LEU 103 Ca 0.21 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1s2a h LEU 103 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1s2a h LEU 103 CO 0.01 0.95 0.16 0.50 0.09 0.00 0.00 178.44 180.15 1s2a h LYS 104 N 0.83 1.00 -0.27 1.13 3.64 -0.81 0.10 116.57 122.19 1s2a h LYS 104 Ca 0.17 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1s2a h LYS 104 Cb 0.44 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1s2a h LYS 104 CO 0.02 0.90 0.08 -0.22 -2.27 0.00 0.00 179.45 177.95 1s2a h LYS 105 N 0.92 0.18 0.00 1.90 1.63 -0.92 -2.72 116.57 117.56 1s2a h LYS 105 Ca 0.20 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1s2a h LYS 105 Cb 0.34 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1s2a h LYS 105 CO 0.00 0.12 -0.19 0.00 -3.45 0.00 0.00 179.45 175.94 1s2a n ALA 106 N -2.30 2.71 -3.71 5.00 0.00 -0.59 -3.78 120.51 117.84 1s2a n ALA 106 Ca -0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 1s2a n ALA 106 Cb 0.10 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.26 1s2a n ALA 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1s2a n GLN 107 N -1.63 -6.37 -4.29 0.00 1.13 0.29 -4.39 117.38 102.12 1s2a n GLN 107 Ca 0.06 0.71 -0.27 0.00 -1.94 0.00 0.00 57.00 55.56 1s2a n GLN 107 Cb 0.36 -5.61 -0.10 0.00 0.11 0.00 0.00 30.24 25.00 1s2a n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1s2a s LEU 108 N -7.07 2.91 0.16 1.08 1.43 -0.80 -5.04 118.68 111.35 1s2a s LEU 108 Ca 0.43 -0.58 0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1s2a s LEU 108 Cb -0.21 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 1s2a s LEU 108 CO 0.78 0.12 1.20 0.44 0.23 0.00 0.00 176.35 179.12 1s2a h ASP 109 N 3.06 0.00 -5.09 2.29 3.32 -1.95 -3.42 116.42 114.63 1s2a h ASP 109 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1s2a h ASP 109 Cb 1.20 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 1s2a h ASP 109 CO 0.53 0.72 -0.17 -0.72 -1.72 0.00 0.00 179.24 177.87 1s2a s TYR 110 N -2.84 -0.11 0.04 4.55 1.13 -1.26 -4.76 117.35 114.09 1s2a s TYR 110 Ca 0.01 -0.17 -0.00 0.00 -1.41 0.00 0.00 57.07 55.50 1s2a s TYR 110 Cb 0.09 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 1s2a s TYR 110 CO 0.79 -0.62 0.16 0.14 -2.51 0.00 0.00 175.55 173.51 1s2a s VAL 111 N -3.47 5.14 0.29 -3.49 -7.23 -0.53 -5.01 120.40 106.10 1s2a s VAL 111 Ca 0.01 -0.40 0.09 0.00 -1.81 0.00 0.00 61.98 59.88 1s2a s VAL 111 Cb 0.02 -3.45 -0.00 0.00 0.56 0.00 0.00 36.38 33.51 1s2a s VAL 111 CO -0.09 0.22 1.65 0.44 -0.31 0.00 0.00 175.10 177.01 1s2a h ASP 112 N 3.47 0.07 -3.47 4.85 3.32 -1.20 -0.78 116.42 122.69 1s2a h ASP 112 Ca -0.47 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.35 1s2a h ASP 112 Cb 1.17 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 1s2a h ASP 112 CO 0.70 0.61 -0.50 -0.22 -1.72 0.00 0.00 179.24 178.11 1s2a s LEU 113 N -7.83 0.63 -0.10 1.55 2.96 -0.94 -1.05 118.68 113.91 1s2a s LEU 113 Ca -0.02 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1s2a s LEU 113 Cb 0.13 0.68 0.01 0.00 0.50 0.00 0.00 46.19 47.50 1s2a s LEU 113 CO 0.76 -0.14 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.99 1s2a s TYR 114 N 0.99 2.18 0.03 5.38 5.04 -0.67 -1.81 117.35 128.49 1s2a s TYR 114 Ca -0.07 -0.96 0.07 0.00 -2.44 0.00 0.00 57.07 53.67 1s2a s TYR 114 Cb -0.09 -1.51 -0.03 0.00 0.35 0.00 0.00 41.96 40.68 1s2a s TYR 114 CO -0.06 -0.44 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.02 1s2a s LEU 115 N 0.67 2.59 -0.17 6.97 1.43 -0.82 -1.55 118.68 127.81 1s2a s LEU 115 Ca -0.13 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 1s2a s LEU 115 Cb -0.16 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1s2a s LEU 115 CO 0.03 0.27 1.55 -0.63 0.23 0.00 0.00 176.35 177.80 1s2a s ILE 116 N -0.89 3.79 0.34 -0.59 1.01 -0.84 -0.14 121.20 123.88 1s2a s ILE 116 Ca 0.14 0.92 0.05 0.00 0.00 0.00 0.00 60.65 61.76 1s2a s ILE 116 Cb -0.10 -3.71 0.16 0.00 0.01 0.00 0.00 42.46 38.82 1s2a s ILE 116 CO 0.04 -0.21 1.87 -0.74 0.00 0.00 0.00 174.94 175.91 1s2a h HIS 117 N 9.86 0.53 -1.98 3.97 2.76 -1.67 -0.76 115.15 127.86 1s2a h HIS 117 Ca -0.34 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 57.73 1s2a h HIS 117 Cb 1.15 -0.15 -0.19 0.00 1.55 0.00 0.00 27.41 29.76 1s2a h HIS 117 CO 0.88 0.53 0.20 0.45 -1.30 0.00 0.00 177.93 178.69 1s2a s SER 118 N -6.75 -0.65 0.00 3.26 0.15 -1.24 -4.27 113.70 104.21 1s2a s SER 118 Ca -0.07 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.53 1s2a s SER 118 Cb 0.15 0.56 1.12 0.00 -1.71 0.00 0.00 66.02 66.14 1s2a s SER 118 CO 0.76 -0.59 1.74 -0.81 1.20 0.00 0.00 173.24 175.55 1s2a n PRO 119 N 0.96 0.27 -2.88 5.44 -0.04 -1.26 -4.63 135.00 132.86 1s2a n PRO 119 Ca -0.18 0.08 -0.44 0.00 -0.04 0.00 0.00 63.50 62.92 1s2a n PRO 119 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1s2a n PRO 119 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1s2a s MET 120 N -2.65 3.85 0.37 0.54 -1.94 -1.26 -4.82 119.30 113.39 1s2a s MET 120 Ca 0.20 -2.10 -0.28 0.00 -1.71 0.00 0.00 55.69 51.80 1s2a s MET 120 Cb 0.15 -5.06 -0.11 0.00 2.01 0.00 0.00 34.83 31.82 1s2a s MET 120 CO 0.36 -1.84 1.49 -1.12 -0.01 0.00 0.00 175.02 173.90 1s2a s SER 121 N 3.42 6.36 0.19 3.03 0.01 -1.26 -4.84 113.70 120.62 1s2a s SER 121 Ca 0.40 3.03 0.10 0.00 1.31 0.00 0.00 55.95 60.79 1s2a s SER 121 Cb -0.03 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1s2a s SER 121 CO -0.04 -0.86 -0.21 -0.76 0.41 0.00 0.00 173.24 171.78 1s2a s LEU 122 N -1.94 2.45 -0.06 2.44 1.43 -0.21 -2.01 118.68 120.78 1s2a s LEU 122 Ca 0.54 -0.88 -0.37 0.00 -1.03 0.00 0.00 54.13 52.38 1s2a s LEU 122 Cb -0.46 -1.00 -0.15 0.00 0.03 0.00 0.00 46.19 44.61 1s2a s LEU 122 CO 0.61 0.04 1.61 1.17 0.23 0.00 0.00 176.35 180.01 1s2a n LYS 123 N 0.19 1.49 -1.90 1.70 4.81 -0.61 -4.20 118.16 119.65 1s2a n LYS 123 Ca -0.12 0.54 -0.38 0.00 -0.87 0.00 0.00 58.31 57.48 1s2a n LYS 123 Cb 0.57 -2.26 0.03 0.00 0.02 0.00 0.00 35.03 33.39 1s2a n LYS 123 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1s2a s PRO 124 N 2.24 3.26 0.00 1.64 0.02 -1.26 -4.75 135.00 136.15 1s2a s PRO 124 Ca 0.90 2.11 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1s2a s PRO 124 Cb -0.90 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1s2a s PRO 124 CO 0.53 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 1s2a n GLY 125 N 0.66 -0.04 0.09 0.52 0.00 -1.26 -4.98 105.19 100.18 1s2a n GLY 125 Ca 0.10 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1s2a n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s2a h GLU 126 N 0.00 0.09 -6.61 1.61 3.07 -1.99 -3.46 114.58 107.29 1s2a h GLU 126 Ca 0.00 -0.16 -0.51 0.00 -0.50 0.00 0.00 59.36 58.19 1s2a h GLU 126 Cb 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1s2a h GLU 126 CO 0.00 0.80 0.38 -1.21 -1.40 0.00 0.00 179.01 177.59 1s2a s GLU 127 N -2.61 4.70 0.20 2.33 2.02 -1.26 -4.96 118.70 119.11 1s2a s GLU 127 Ca -0.07 1.52 -0.10 0.00 0.02 0.00 0.00 54.97 56.33 1s2a s GLU 127 Cb 0.08 -3.34 0.13 0.00 0.10 0.00 0.00 34.13 31.09 1s2a s GLU 127 CO 0.82 0.23 1.79 -0.07 0.02 0.00 0.00 175.26 178.05 1s2a h LEU 128 N 5.27 0.92 -6.90 1.80 3.38 -1.97 -3.37 115.31 114.44 1s2a h LEU 128 Ca -0.43 -0.13 -0.61 0.00 0.09 0.00 0.00 57.88 56.80 1s2a h LEU 128 Cb 1.21 -0.24 -0.40 0.00 0.09 0.00 0.00 40.66 41.32 1s2a h LEU 128 CO 0.71 0.79 -0.74 -0.55 0.09 0.00 0.00 178.44 178.75 1s2a s SER 129 N -6.11 3.54 -0.09 -0.43 0.15 -1.26 -4.79 113.70 104.71 1s2a s SER 129 Ca -0.13 -3.11 -0.30 0.00 0.70 0.00 0.00 55.95 53.12 1s2a s SER 129 Cb 0.14 -1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 63.31 1s2a s SER 129 CO 0.80 -0.19 1.35 -2.16 1.20 0.00 0.00 173.24 174.24 1s2a s PRO 130 N -0.28 4.25 0.08 5.44 0.04 -1.26 -4.99 135.00 138.29 1s2a s PRO 130 Ca 0.23 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.16 1s2a s PRO 130 Cb -0.12 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 1s2a s PRO 130 CO -0.09 -0.66 -0.20 0.95 0.04 0.00 0.00 177.00 177.04 1s2a s THR 131 N 3.15 1.61 0.75 1.26 -4.23 -1.26 -0.20 115.64 116.71 1s2a s THR 131 Ca 0.60 -1.39 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 1s2a s THR 131 Cb -0.26 -1.45 0.18 0.00 1.34 0.00 0.00 72.50 72.31 1s2a s THR 131 CO 0.21 0.00 0.93 -0.90 -0.54 0.00 0.00 174.62 174.32 1s2a n ASP 132 N 1.37 -0.34 0.07 3.99 3.85 -0.75 -4.85 116.55 119.89 1s2a n ASP 132 Ca -0.19 -1.27 0.11 0.00 -0.71 0.00 0.00 54.79 52.73 1s2a n ASP 132 Cb 0.54 -0.74 0.44 0.00 -1.35 0.00 0.00 41.12 40.01 1s2a n ASP 132 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1s2a n GLU 133 N -3.24 0.12 0.00 0.11 -0.58 -1.26 -2.33 120.64 113.45 1s2a n GLU 133 Ca 0.12 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.25 1s2a n GLU 133 Cb 0.42 -1.69 0.23 0.00 -0.57 0.00 0.00 31.44 29.83 1s2a n GLU 133 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1s2a n ASN 134 N -1.90 0.85 0.00 1.62 3.02 -1.26 -4.98 115.26 112.61 1s2a n ASN 134 Ca 0.04 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1s2a n ASN 134 Cb 0.26 0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1s2a n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s2a n GLY 135 N 1.44 0.67 3.72 7.41 0.00 -0.98 -5.03 105.19 112.42 1s2a n GLY 135 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1s2a n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s2a s LYS 136 N -0.68 4.52 0.59 1.61 1.02 -1.26 -4.43 119.74 121.11 1s2a s LYS 136 Ca 0.00 1.18 -0.20 0.00 0.02 0.00 0.00 55.97 56.97 1s2a s LYS 136 Cb 0.00 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1s2a s LYS 136 CO 0.00 0.07 1.33 0.28 -0.92 0.00 0.00 175.35 176.12 1s2a n VAL 137 N 3.55 4.26 -2.79 3.17 0.31 -0.66 -1.81 118.33 124.36 1s2a n VAL 137 Ca 0.02 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.42 1s2a n VAL 137 Cb 0.51 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.80 1s2a n VAL 137 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s2a s ILE 138 N -1.32 4.51 0.65 2.52 1.01 0.72 -4.77 121.20 124.51 1s2a s ILE 138 Ca 0.76 1.05 -0.11 0.00 0.00 0.00 0.00 60.65 62.35 1s2a s ILE 138 Cb -0.40 -4.40 -0.02 0.00 0.01 0.00 0.00 42.46 37.65 1s2a s ILE 138 CO 0.46 -0.68 1.06 0.72 0.00 0.00 0.00 174.94 176.49 1s2a s PHE 139 N 3.67 3.51 0.04 3.97 -0.71 -1.26 -1.57 117.98 125.63 1s2a s PHE 139 Ca 0.39 1.20 0.07 0.00 -1.04 0.00 0.00 56.93 57.55 1s2a s PHE 139 Cb -0.11 -2.85 -0.02 0.00 -1.21 0.00 0.00 43.02 38.83 1s2a s PHE 139 CO 0.22 -0.88 -0.19 0.34 -1.34 0.00 0.00 175.22 173.38 1s2a s ASP 140 N -4.24 2.28 -0.50 1.98 2.15 -0.85 -4.36 116.67 113.14 1s2a s ASP 140 Ca 0.56 -0.49 -0.17 0.00 0.43 0.00 0.00 52.55 52.88 1s2a s ASP 140 Cb -0.11 -0.19 0.07 0.00 -0.30 0.00 0.00 42.92 42.39 1s2a s ASP 140 CO 0.53 0.14 0.51 -0.63 -0.17 0.00 0.00 175.17 175.56 1s2a s ILE 141 N -0.77 5.06 -0.06 4.11 -1.09 -1.26 -4.49 121.20 122.70 1s2a s ILE 141 Ca 0.06 -0.84 0.04 0.00 -2.23 0.00 0.00 60.65 57.68 1s2a s ILE 141 Cb -0.08 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1s2a s ILE 141 CO 0.01 -0.72 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.14 1s2a s VAL 142 N 2.11 1.54 -0.36 2.92 1.01 -1.26 -5.08 120.40 121.28 1s2a s VAL 142 Ca 0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1s2a s VAL 142 Cb -0.22 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1s2a s VAL 142 CO 0.09 0.44 1.50 -0.62 0.00 0.00 0.00 175.10 176.51 1s2a s ASP 143 N 0.22 6.29 0.35 3.32 -1.08 -1.26 -4.88 116.67 119.64 1s2a s ASP 143 Ca -0.09 1.07 0.27 0.00 -0.52 0.00 0.00 52.55 53.28 1s2a s ASP 143 Cb -0.14 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.91 1s2a s ASP 143 CO 0.04 -1.42 1.80 -0.07 0.52 0.00 0.00 175.17 176.04 1s2a h LEU 144 N 12.27 0.00 -1.42 -1.34 3.38 -1.97 -0.81 115.31 125.42 1s2a h LEU 144 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1s2a h LEU 144 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1s2a h LEU 144 CO 1.06 0.00 0.03 0.00 0.09 0.00 0.00 178.44 179.62 1s2a h THR 146 N 0.41 1.33 -0.69 0.00 1.35 -1.54 -1.63 112.91 112.13 1s2a h THR 146 Ca 0.09 -1.99 -0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1s2a h THR 146 Cb 0.22 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 1s2a h THR 146 CO 0.00 0.61 0.42 0.74 -0.25 0.00 0.00 175.52 177.05 1s2a h THR 147 N 0.41 1.20 -0.64 6.82 2.02 -1.41 -2.63 112.91 118.68 1s2a h THR 147 Ca -0.03 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1s2a h THR 147 Cb 1.28 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1s2a h THR 147 CO 0.13 0.20 0.20 -0.25 0.37 0.00 0.00 175.52 176.17 1s2a h TRP 148 N 0.94 1.04 -0.94 3.16 2.91 -0.75 -1.55 115.95 120.77 1s2a h TRP 148 Ca 0.25 -0.11 0.04 0.00 1.13 0.00 0.00 58.89 60.20 1s2a h TRP 148 Cb -0.03 -0.30 -0.06 0.00 -0.51 0.00 0.00 29.16 28.26 1s2a h TRP 148 CO -0.01 0.85 0.61 0.93 -1.03 0.00 0.00 178.44 179.79 1s2a h GLU 149 N 0.93 1.11 -0.43 2.65 5.08 -1.11 -0.27 114.58 122.56 1s2a h GLU 149 Ca 0.21 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1s2a h GLU 149 Cb 0.30 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1s2a h GLU 149 CO -0.01 0.74 -0.06 0.00 -1.00 0.00 0.00 179.01 178.68 1s2a h ALA 150 N 1.46 1.09 -0.52 3.43 0.00 -1.06 -2.13 119.26 121.53 1s2a h ALA 150 Ca 0.38 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1s2a h ALA 150 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s2a h ALA 150 CO -0.13 0.57 0.16 0.52 0.00 0.00 0.00 179.25 180.37 1s2a h MET 151 N 0.67 0.82 -0.98 0.00 2.86 -0.25 -2.54 114.93 115.51 1s2a h MET 151 Ca 0.12 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1s2a h MET 151 Cb 0.51 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 1s2a h MET 151 CO 0.03 0.76 0.63 0.93 1.06 0.00 0.00 176.91 180.31 1s2a h GLU 152 N 0.72 1.11 -0.17 1.72 5.08 -0.82 -1.20 114.58 121.03 1s2a h GLU 152 Ca 0.17 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1s2a h GLU 152 Cb 0.28 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1s2a h GLU 152 CO -0.00 0.74 -0.16 0.87 -1.00 0.00 0.00 179.01 179.45 1s2a h LYS 153 N 1.15 0.28 -0.55 2.33 1.57 -1.14 -1.22 116.57 118.98 1s2a h LYS 153 Ca 0.42 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1s2a h LYS 153 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1s2a h LYS 153 CO -0.17 0.44 0.03 0.00 -0.57 0.00 0.00 179.45 179.18 1s2a h LYS 155 N 0.86 0.46 -0.08 0.00 3.64 -0.77 -1.95 116.57 118.72 1s2a h LYS 155 Ca 0.16 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1s2a h LYS 155 Cb 0.47 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1s2a h LYS 155 CO 0.02 0.63 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.32 1s2a h ASP 156 N 0.24 0.11 1.07 4.20 3.32 -1.10 -1.64 116.42 122.62 1s2a h ASP 156 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1s2a h ASP 156 Cb 0.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1s2a h ASP 156 CO 0.01 0.21 -0.01 0.00 -1.72 0.00 0.00 179.24 177.73 1s2a n ALA 157 N -2.51 2.35 -0.77 3.45 0.00 -0.54 -4.92 120.51 117.58 1s2a n ALA 157 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1s2a n ALA 157 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1s2a n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s2a n GLY 158 N 1.47 0.63 0.15 0.00 0.00 -0.62 -4.94 105.19 101.89 1s2a n GLY 158 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1s2a n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s2a h LEU 159 N 0.00 0.14 -7.98 0.99 3.38 -1.59 -3.43 115.31 106.82 1s2a h LEU 159 Ca 0.00 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.39 1s2a h LEU 159 Cb 0.00 -0.04 -0.33 0.00 0.09 0.00 0.00 40.66 40.38 1s2a h LEU 159 CO 0.00 0.71 -0.81 0.00 0.09 0.00 0.00 178.44 178.43 1s2a s ALA 160 N -3.71 1.18 0.12 1.53 0.00 -1.19 -1.45 121.76 118.25 1s2a s ALA 160 Ca -0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 1s2a s ALA 160 Cb 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1s2a s ALA 160 CO 0.78 0.12 1.48 0.87 0.00 0.00 0.00 175.76 179.01 1s2a h LYS 161 N 6.86 0.80 -4.85 0.00 1.79 -1.19 -3.38 116.57 116.60 1s2a h LYS 161 Ca -0.32 -0.38 -0.29 0.00 -2.18 0.00 0.00 60.65 57.48 1s2a h LYS 161 Cb 1.18 -0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.65 1s2a h LYS 161 CO 0.48 1.01 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.01 1s2a s SER 162 N -6.57 1.32 0.06 0.86 0.01 -0.21 -5.00 113.70 104.17 1s2a s SER 162 Ca -0.12 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.37 1s2a s SER 162 Cb 0.10 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 1s2a s SER 162 CO 0.84 -0.30 -0.17 0.27 0.41 0.00 0.00 173.24 174.29 1s2a s ILE 163 N -2.60 1.36 0.00 1.44 -4.36 -1.26 -1.67 121.20 114.11 1s2a s ILE 163 Ca 0.05 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1s2a s ILE 163 Cb -0.02 -1.23 0.00 0.00 1.25 0.00 0.00 42.46 42.46 1s2a s ILE 163 CO -0.01 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1s2a n GLY 164 N 1.61 2.71 3.41 6.27 0.00 -0.59 -1.08 105.19 117.51 1s2a n GLY 164 Ca -0.19 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 1s2a n GLY 164 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s2a s VAL 165 N -2.71 0.96 -0.06 1.61 -7.23 -0.82 -1.99 120.40 110.16 1s2a s VAL 165 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1s2a s VAL 165 Cb 0.00 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1s2a s VAL 165 CO 0.00 0.00 0.21 -0.55 -0.31 0.00 0.00 175.10 174.45 1s2a s SER 166 N -3.43 -0.18 -1.66 4.85 0.15 -0.29 -1.53 113.70 111.61 1s2a s SER 166 Ca 0.37 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1s2a s SER 166 Cb 0.08 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1s2a s SER 166 CO 0.15 -0.15 0.00 0.59 1.20 0.00 0.00 173.24 175.03 1s2a n ASN 167 N 2.57 -4.94 -4.79 5.45 3.02 -0.10 -3.60 115.26 112.86 1s2a n ASN 167 Ca -0.15 0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 54.33 1s2a n ASN 167 Cb 0.58 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.78 1s2a n ASN 167 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1s2a s PHE 168 N -2.65 3.86 0.82 3.10 0.40 -1.26 -4.50 117.98 117.76 1s2a s PHE 168 Ca 0.00 1.47 -0.07 0.00 -0.60 0.00 0.00 56.93 57.74 1s2a s PHE 168 Cb 0.00 -2.64 0.16 0.00 0.51 0.00 0.00 43.02 41.05 1s2a s PHE 168 CO 0.00 0.55 1.13 0.54 0.70 0.00 0.00 175.22 178.14 1s2a s ASN 169 N -1.13 3.79 0.19 1.36 2.20 -1.26 -4.87 114.94 115.21 1s2a s ASN 169 Ca 0.33 -0.18 -0.12 0.00 -0.94 0.00 0.00 52.86 51.95 1s2a s ASN 169 Cb -0.21 -0.03 0.18 0.00 -2.00 0.00 0.00 41.25 39.18 1s2a s ASN 169 CO 0.23 -2.25 1.77 0.03 -2.94 0.00 0.00 177.10 173.94 1s2a h ARG 170 N -0.99 0.47 -0.40 3.55 3.08 -1.96 -1.52 114.38 116.59 1s2a h ARG 170 Ca -0.39 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 1s2a h ARG 170 Cb 1.25 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1s2a h ARG 170 CO 0.38 0.31 0.22 -0.09 -1.07 0.00 0.00 179.97 179.72 1s2a h ARG 171 N 0.48 0.56 -0.77 0.04 9.65 -1.98 0.70 114.38 123.06 1s2a h ARG 171 Ca 0.25 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 59.02 1s2a h ARG 171 Cb 0.20 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1s2a h ARG 171 CO -0.20 0.45 0.30 1.96 2.80 0.00 0.00 179.97 185.28 1s2a h GLN 172 N 0.52 1.17 -0.40 0.20 4.20 -1.87 -1.21 115.11 117.72 1s2a h GLN 172 Ca 0.14 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1s2a h GLN 172 Cb 0.05 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1s2a h GLN 172 CO -0.02 0.96 -0.07 1.25 -0.67 0.00 0.00 178.83 180.27 1s2a h LEU 173 N 1.13 0.76 -0.90 1.46 5.85 -1.07 -2.98 115.31 119.56 1s2a h LEU 173 Ca 0.26 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.73 1s2a h LEU 173 Cb 0.24 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 1s2a h LEU 173 CO -0.02 0.93 0.54 -0.33 -0.34 0.00 0.00 178.44 179.22 1s2a h GLU 174 N 0.57 0.86 -0.86 1.25 4.39 -0.43 -1.31 114.58 119.05 1s2a h GLU 174 Ca 0.10 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1s2a h GLU 174 Cb 0.59 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1s2a h GLU 174 CO 0.04 0.57 0.56 0.52 -1.16 0.00 0.00 179.01 179.53 1s2a h MET 175 N 0.88 1.07 -0.23 2.33 2.86 -1.08 -0.55 114.93 120.22 1s2a h MET 175 Ca 0.44 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.95 1s2a h MET 175 Cb 0.40 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1s2a h MET 175 CO -0.25 0.71 -0.09 0.82 1.06 0.00 0.00 176.91 179.16 1s2a h ILE 176 N 1.10 1.30 0.00 -1.22 1.08 -1.34 -2.92 117.51 115.52 1s2a h ILE 176 Ca 0.33 -1.13 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 1s2a h ILE 176 Cb -0.04 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1s2a h ILE 176 CO -0.10 0.35 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.55 1s2a h LEU 177 N 0.18 0.00 -1.59 1.44 3.38 -0.75 -2.14 115.31 115.83 1s2a h LEU 177 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1s2a h LEU 177 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1s2a h LEU 177 CO 0.03 0.09 0.00 0.59 0.09 0.00 0.00 178.44 179.24 1s2a n ASN 178 N -3.75 2.46 -4.68 -0.43 3.02 -0.26 -4.96 115.26 106.65 1s2a n ASN 178 Ca -0.02 -1.81 -0.45 0.00 -0.03 0.00 0.00 54.58 52.27 1s2a n ASN 178 Cb 0.20 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 1s2a n ASN 178 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1s2a n LYS 179 N 0.91 2.36 -1.83 3.52 4.81 -0.81 -4.92 118.16 122.21 1s2a n LYS 179 Ca 0.16 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 58.04 1s2a n LYS 179 Cb 0.50 -2.65 -0.03 0.00 0.02 0.00 0.00 35.03 32.87 1s2a n LYS 179 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1s2a s PRO 180 N 1.21 4.17 -0.30 1.64 0.02 -1.26 -2.56 135.00 137.91 1s2a s PRO 180 Ca 0.78 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.30 1s2a s PRO 180 Cb -0.62 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 30.80 1s2a s PRO 180 CO 0.37 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1s2a n GLY 181 N 3.62 0.56 3.68 0.52 0.00 -1.26 -4.98 105.19 107.33 1s2a n GLY 181 Ca 0.14 -0.92 -0.46 0.00 0.00 0.00 0.00 46.02 44.78 1s2a n GLY 181 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s2a n LEU 182 N -0.35 3.34 -0.09 0.99 7.94 -1.06 -4.91 117.00 122.87 1s2a n LEU 182 Ca -0.03 1.04 -0.22 0.00 -1.11 0.00 0.00 56.01 55.68 1s2a n LEU 182 Cb 0.16 -1.43 -0.12 0.00 0.53 0.00 0.00 43.42 42.56 1s2a n LEU 182 CO 0.04 -0.15 -0.65 1.17 -1.11 0.00 0.00 177.39 176.70 1s2a n LYS 183 N 4.60 0.60 -4.25 1.96 4.81 -1.26 -4.95 118.16 119.68 1s2a n LYS 183 Ca 0.19 0.50 -0.25 0.00 -0.87 0.00 0.00 58.31 57.88 1s2a n LYS 183 Cb 0.30 -1.72 -0.17 0.00 0.02 0.00 0.00 35.03 33.47 1s2a n LYS 183 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1s2a s TYR 184 N -2.41 1.37 0.61 5.64 2.02 -1.26 -5.13 117.35 118.19 1s2a s TYR 184 Ca -0.29 -0.57 -0.17 0.00 -0.37 0.00 0.00 57.07 55.66 1s2a s TYR 184 Cb 0.07 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1s2a s TYR 184 CO 0.61 -0.36 1.14 0.15 -1.57 0.00 0.00 175.55 175.52 1s2a s LYS 185 N 1.14 3.00 0.31 -0.62 1.02 -1.26 -4.98 119.74 118.35 1s2a s LYS 185 Ca -0.06 1.58 -0.29 0.00 0.02 0.00 0.00 55.97 57.22 1s2a s LYS 185 Cb -0.14 -1.96 -0.12 0.00 -0.52 0.00 0.00 37.83 35.09 1s2a s LYS 185 CO -0.02 -1.12 1.44 -2.30 -0.92 0.00 0.00 175.35 172.43 1s2a n PRO 186 N -1.84 2.35 0.17 -1.68 -0.02 -1.26 -4.87 135.00 127.85 1s2a n PRO 186 Ca 0.12 0.83 0.06 0.00 -2.02 0.00 0.00 63.50 62.48 1s2a n PRO 186 Cb 0.51 -2.51 0.19 0.00 -0.02 0.00 0.00 33.50 31.66 1s2a n PRO 186 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1s2a h VAL 187 N 2.97 0.72 -3.34 -1.45 -1.51 -1.46 -3.45 116.25 108.74 1s2a h VAL 187 Ca -0.47 -1.75 -0.03 0.00 -1.23 0.00 0.00 66.70 63.22 1s2a h VAL 187 Cb 1.26 2.16 -0.10 0.00 -2.13 0.00 0.00 31.29 32.47 1s2a h VAL 187 CO 0.71 0.37 0.01 0.00 -1.23 0.00 0.00 177.57 177.43 1s2a s ASN 189 N -2.87 3.41 -0.30 0.00 2.47 -0.19 -1.95 114.94 115.51 1s2a s ASN 189 Ca 0.09 -1.06 -0.23 0.00 0.42 0.00 0.00 52.86 52.08 1s2a s ASN 189 Cb -0.01 -0.87 -0.00 0.00 -1.45 0.00 0.00 41.25 38.93 1s2a s ASN 189 CO -0.04 -0.29 0.76 -1.58 -3.72 0.00 0.00 177.10 172.24 1s2a s GLN 190 N 1.64 3.98 0.10 0.43 0.74 -0.58 -1.80 119.66 124.17 1s2a s GLN 190 Ca -0.02 0.57 -0.01 0.00 0.05 0.00 0.00 55.36 55.96 1s2a s GLN 190 Cb -0.18 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 1s2a s GLN 190 CO -0.09 -0.64 0.01 0.14 -0.55 0.00 0.00 175.29 174.17 1s2a s VAL 191 N 2.88 0.23 0.05 1.34 -7.23 0.31 -0.93 120.40 117.04 1s2a s VAL 191 Ca 0.31 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 1s2a s VAL 191 Cb -0.14 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 1s2a s VAL 191 CO 0.12 -0.68 1.55 -0.70 -0.31 0.00 0.00 175.10 175.07 1s2a s GLU 192 N -3.98 4.23 -0.30 4.82 2.12 -1.26 -1.14 118.70 123.19 1s2a s GLU 192 Ca 0.17 2.19 -0.09 0.00 0.36 0.00 0.00 54.97 57.60 1s2a s GLU 192 Cb 0.07 -3.56 0.13 0.00 0.26 0.00 0.00 34.13 31.04 1s2a s GLU 192 CO -0.03 -0.66 0.64 0.00 -0.54 0.00 0.00 175.26 174.67 1s2a s HIS 194 N 2.89 -0.11 0.64 0.00 -3.43 -1.00 -3.74 115.29 110.53 1s2a s HIS 194 Ca -0.03 -0.29 0.34 0.00 -0.80 0.00 0.00 55.06 54.28 1s2a s HIS 194 Cb -0.12 0.69 1.88 0.00 -1.43 0.00 0.00 32.58 33.59 1s2a s HIS 194 CO -0.19 -1.03 2.12 -1.35 -2.00 0.00 0.00 174.74 172.29 1s2a h PRO 195 N 2.00 0.00 -0.00 -0.38 0.11 -1.90 -0.37 132.00 131.46 1s2a h PRO 195 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1s2a h PRO 195 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1s2a h PRO 195 CO 0.27 0.00 -0.25 0.66 -0.21 0.00 0.00 178.00 178.47 1s2a n TYR 196 N -3.31 0.00 -2.84 0.65 4.01 -1.26 -1.73 117.16 112.68 1s2a n TYR 196 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1s2a n TYR 196 Cb 0.27 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1s2a n TYR 196 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1s2a n PHE 197 N -1.14 -3.04 1.21 -0.72 7.35 -0.20 -1.25 117.46 119.68 1s2a n PHE 197 Ca 0.10 -1.92 0.14 0.00 -0.76 0.00 0.00 57.45 55.00 1s2a n PHE 197 Cb 0.32 1.27 0.52 0.00 0.35 0.00 0.00 39.48 41.94 1s2a n PHE 197 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1s2a n ASN 198 N 2.04 0.39 -3.00 -2.13 2.04 -0.91 -2.38 115.26 111.30 1s2a n ASN 198 Ca 0.14 -0.26 -0.22 0.00 -0.44 0.00 0.00 54.58 53.80 1s2a n ASN 198 Cb 0.59 -0.09 0.03 0.00 -2.53 0.00 0.00 39.78 37.78 1s2a n ASN 198 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1s2a n ARG 199 N -1.20 -4.47 -0.19 -3.83 5.12 -1.26 -4.80 116.66 106.03 1s2a n ARG 199 Ca 0.11 0.87 -0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1s2a n ARG 199 Cb 0.31 -5.70 0.10 0.00 -1.16 0.00 0.00 32.46 26.01 1s2a n ARG 199 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1s2a h SER 200 N -1.22 0.10 -0.53 0.55 0.02 -1.99 0.18 113.55 110.66 1s2a h SER 200 Ca -0.51 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.43 1s2a h SER 200 Cb 1.36 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 1s2a h SER 200 CO 0.56 0.07 -0.05 0.11 -1.14 0.00 0.00 176.83 176.38 1s2a h LYS 201 N 0.32 0.98 -0.45 3.45 1.79 -2.00 -1.21 116.57 119.44 1s2a h LYS 201 Ca 0.29 -0.34 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 1s2a h LYS 201 Cb 0.40 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1s2a h LYS 201 CO -0.34 1.01 -0.10 1.25 -1.08 0.00 0.00 179.45 180.19 1s2a h LEU 202 N 0.85 0.86 -0.37 2.94 5.85 -1.80 -2.14 115.31 121.49 1s2a h LEU 202 Ca 0.14 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1s2a h LEU 202 Cb 0.60 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1s2a h LEU 202 CO 0.04 1.01 0.14 0.25 -0.34 0.00 0.00 178.44 179.55 1s2a h LEU 203 N 0.69 0.17 -0.76 2.25 5.85 -0.50 0.41 115.31 123.42 1s2a h LEU 203 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1s2a h LEU 203 Cb 0.63 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1s2a h LEU 203 CO 0.04 0.14 0.48 0.44 -0.34 0.00 0.00 178.44 179.20 1s2a h ASP 204 N 0.31 0.80 -0.17 1.25 3.32 -1.10 -0.22 116.42 120.61 1s2a h ASP 204 Ca 0.17 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1s2a h ASP 204 Cb 0.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1s2a h ASP 204 CO -0.16 0.56 0.05 0.15 -1.72 0.00 0.00 179.24 178.11 1s2a h PHE 205 N 0.95 0.28 -0.72 4.55 3.57 -0.99 -1.56 116.94 123.02 1s2a h PHE 205 Ca 0.30 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1s2a h PHE 205 Cb -0.00 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1s2a h PHE 205 CO -0.03 0.40 0.48 0.00 -2.23 0.00 0.00 178.31 176.92 1s2a h LYS 207 N 0.97 1.26 0.00 0.00 1.57 -0.90 0.05 116.57 119.52 1s2a h LYS 207 Ca 0.27 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1s2a h LYS 207 Cb -0.10 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 31.95 1s2a h LYS 207 CO -0.06 0.89 -0.06 0.66 -0.57 0.00 0.00 179.45 180.30 1s2a h SER 208 N 1.28 0.00 -0.44 0.86 4.64 -0.39 -2.13 113.55 117.36 1s2a h SER 208 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1s2a h SER 208 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1s2a h SER 208 CO -0.06 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1s2a n LYS 209 N -3.41 2.90 -3.90 4.77 4.76 -0.80 -4.98 118.16 117.49 1s2a n LYS 209 Ca -0.02 -2.28 -0.26 0.00 -2.87 0.00 0.00 58.31 52.87 1s2a n LYS 209 Cb 0.20 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1s2a n LYS 209 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1s2a n ASP 210 N 0.74 -1.78 -4.42 4.39 4.64 -0.80 -5.00 116.55 114.32 1s2a n ASP 210 Ca 0.16 -0.91 -0.33 0.00 -1.38 0.00 0.00 54.79 52.33 1s2a n ASP 210 Cb 0.53 -3.48 -0.13 0.00 -1.04 0.00 0.00 41.12 37.00 1s2a n ASP 210 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1s2a s ILE 211 N -3.67 3.45 0.06 5.18 1.01 -0.06 -4.40 121.20 122.77 1s2a s ILE 211 Ca 0.22 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 1s2a s ILE 211 Cb -0.11 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1s2a s ILE 211 CO 0.86 0.50 1.03 -0.69 0.00 0.00 0.00 174.94 176.64 1s2a s VAL 212 N 0.49 4.50 -0.12 2.92 1.01 -0.48 -3.97 120.40 124.75 1s2a s VAL 212 Ca -0.06 1.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 1s2a s VAL 212 Cb -0.15 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1s2a s VAL 212 CO 0.03 0.20 0.68 -0.22 0.00 0.00 0.00 175.10 175.79 1s2a s LEU 213 N 0.62 4.24 -0.18 3.92 0.20 -1.26 -1.03 118.68 125.19 1s2a s LEU 213 Ca 0.52 1.05 -0.02 0.00 0.69 0.00 0.00 54.13 56.36 1s2a s LEU 213 Cb -0.24 -3.01 -0.01 0.00 -0.43 0.00 0.00 46.19 42.50 1s2a s LEU 213 CO 0.29 -0.19 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.39 1s2a s VAL 214 N 1.30 3.21 -0.22 1.68 1.01 -0.75 -1.88 120.40 124.76 1s2a s VAL 214 Ca 0.34 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1s2a s VAL 214 Cb -0.17 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1s2a s VAL 214 CO 0.14 0.47 0.62 0.00 0.00 0.00 0.00 175.10 176.33 1s2a s ALA 215 N 1.02 3.57 0.27 5.51 0.00 0.43 -0.53 121.76 132.03 1s2a s ALA 215 Ca -0.00 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.68 1s2a s ALA 215 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1s2a s ALA 215 CO -0.01 -0.64 0.20 1.52 0.00 0.00 0.00 175.76 176.84 1s2a s TYR 216 N 2.10 3.05 -1.39 0.00 1.13 -0.29 -1.57 117.35 120.38 1s2a s TYR 216 Ca 0.27 -0.15 -0.09 0.00 -1.41 0.00 0.00 57.07 55.69 1s2a s TYR 216 Cb -0.16 -1.46 0.06 0.00 -1.10 0.00 0.00 41.96 39.30 1s2a s TYR 216 CO 0.10 0.46 0.59 0.43 -2.51 0.00 0.00 175.55 174.62 1s2a n SER 217 N -1.20 -4.48 0.29 -0.18 7.64 -1.26 -1.98 113.62 112.45 1s2a n SER 217 Ca -0.07 -0.42 0.19 0.00 1.01 0.00 0.00 58.87 59.59 1s2a n SER 217 Cb 0.58 -3.66 0.90 0.00 -1.01 0.00 0.00 64.21 61.03 1s2a n SER 217 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s2a h ALA 218 N 0.98 1.00 -0.48 -0.43 0.00 -1.79 -1.05 119.26 117.49 1s2a h ALA 218 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1s2a h ALA 218 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1s2a h ALA 218 CO 0.56 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1s2a n LEU 219 N -3.01 3.67 0.00 0.00 4.77 -1.26 -4.73 117.00 116.45 1s2a n LEU 219 Ca -0.01 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 1s2a n LEU 219 Cb 0.19 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1s2a n LEU 219 CO 0.23 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1s2a n GLY 220 N 0.73 1.00 0.34 -0.72 0.00 -0.40 -4.42 105.19 101.71 1s2a n GLY 220 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1s2a n GLY 220 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s2a n SER 221 N 0.00 -2.00 -0.37 1.61 3.41 -1.24 -4.54 113.62 110.50 1s2a n SER 221 Ca 0.00 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1s2a n SER 221 Cb 0.00 -1.11 0.52 0.00 -0.26 0.00 0.00 64.21 63.37 1s2a n SER 221 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s2a n GLN 222 N -2.86 1.50 -3.56 4.33 6.02 -1.26 -4.95 117.38 116.60 1s2a n GLN 222 Ca -0.01 -0.74 -0.22 0.00 -0.01 0.00 0.00 57.00 56.02 1s2a n GLN 222 Cb 0.16 -1.42 0.08 0.00 1.02 0.00 0.00 30.24 30.08 1s2a n GLN 222 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s2a n ARG 223 N -0.07 -7.38 -1.89 -1.09 1.74 -1.26 -4.88 116.66 101.83 1s2a n ARG 223 Ca 0.18 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.66 1s2a n ARG 223 Cb 0.27 -5.85 -0.03 0.00 -1.02 0.00 0.00 32.46 25.83 1s2a n ARG 223 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1s2a s ASP 224 N -3.69 6.55 0.64 0.55 3.68 -1.26 -4.81 116.67 118.33 1s2a s ASP 224 Ca 0.38 2.64 0.38 0.00 2.13 0.00 0.00 52.55 58.08 1s2a s ASP 224 Cb -0.17 -2.59 2.11 0.00 -1.45 0.00 0.00 42.92 40.83 1s2a s ASP 224 CO 0.74 -0.87 2.27 0.11 0.13 0.00 0.00 175.17 177.55 1s2a h LYS 225 N 7.19 0.00 -0.08 4.34 1.57 -1.90 -0.39 116.57 127.30 1s2a h LYS 225 Ca -0.43 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.27 1s2a h LYS 225 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1s2a h LYS 225 CO 0.93 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 179.47 1s2a h ARG 226 N 0.00 0.15 0.00 3.15 3.08 -2.02 -3.38 114.38 115.36 1s2a h ARG 226 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1s2a h ARG 226 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1s2a h ARG 226 CO -0.00 0.47 -0.66 0.91 -1.07 0.00 0.00 179.97 179.62 1s2a n TRP 227 N -4.11 0.00 -4.78 3.04 8.01 -0.78 -4.88 117.44 113.95 1s2a n TRP 227 Ca -0.01 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.85 1s2a n TRP 227 Cb 0.40 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.56 1s2a n TRP 227 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1s2a s VAL 228 N -1.36 2.92 -0.05 -0.99 1.01 -0.23 -1.11 120.40 120.59 1s2a s VAL 228 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1s2a s VAL 228 Cb 0.00 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1s2a s VAL 228 CO 0.00 0.52 1.56 -0.62 0.00 0.00 0.00 175.10 176.56 1s2a s ASP 229 N 0.42 6.73 0.61 3.32 2.15 -1.26 -4.59 116.67 124.05 1s2a s ASP 229 Ca -0.11 2.15 0.37 0.00 0.43 0.00 0.00 52.55 55.40 1s2a s ASP 229 Cb -0.16 -2.54 2.01 0.00 -0.30 0.00 0.00 42.92 41.93 1s2a s ASP 229 CO 0.05 -0.87 2.25 1.55 -0.17 0.00 0.00 175.17 177.99 1s2a h PRO 230 N 8.98 0.00 0.00 4.34 0.13 -1.96 -1.45 132.00 142.04 1s2a h PRO 230 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1s2a h PRO 230 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s2a h PRO 230 CO 0.95 0.02 -0.06 -0.91 -0.23 0.00 0.00 178.00 177.77 1s2a h ASN 231 N 0.00 0.00 -2.84 1.44 2.35 -2.04 -3.45 115.58 111.04 1s2a h ASN 231 Ca -0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.19 1s2a h ASN 231 Cb 0.12 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.56 1s2a h ASN 231 CO 0.00 0.06 0.80 -1.54 -1.65 0.00 0.00 177.43 175.11 1s2a n SER 232 N -3.21 3.42 -4.59 5.81 3.41 -0.55 -4.90 113.62 113.00 1s2a n SER 232 Ca -0.00 1.12 -0.46 0.00 -0.26 0.00 0.00 58.87 59.28 1s2a n SER 232 Cb 0.30 -1.51 -0.02 0.00 -0.26 0.00 0.00 64.21 62.71 1s2a n SER 232 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1s2a n PRO 233 N 2.58 1.37 -2.78 4.33 -0.02 -1.26 -4.93 135.00 134.28 1s2a n PRO 233 Ca 0.12 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 1s2a n PRO 233 Cb 0.34 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1s2a n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s2a s VAL 234 N -0.75 4.63 0.17 -1.45 1.01 -1.26 -4.95 120.40 117.80 1s2a s VAL 234 Ca 0.63 1.44 -0.16 0.00 0.00 0.00 0.00 61.98 63.88 1s2a s VAL 234 Cb -0.73 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 31.46 1s2a s VAL 234 CO 0.57 -0.40 1.67 0.25 0.00 0.00 0.00 175.10 177.19 1s2a h LEU 235 N 9.83 -0.37 0.00 3.92 5.85 -1.86 -1.08 115.31 131.60 1s2a h LEU 235 Ca -0.22 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1s2a h LEU 235 Cb 1.08 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1s2a h LEU 235 CO 0.97 -0.13 0.00 0.18 -0.34 0.00 0.00 178.44 179.12 1s2a n LEU 236 N -5.31 0.00 -0.75 2.25 4.77 -1.26 -1.53 117.00 115.18 1s2a n LEU 236 Ca 0.03 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1s2a n LEU 236 Cb 0.23 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.32 1s2a n LEU 236 CO 0.14 -0.11 0.74 -0.62 -1.33 0.00 0.00 177.39 176.22 1s2a n GLU 237 N -1.32 1.98 -2.04 3.23 1.02 -0.41 -4.84 120.64 118.26 1s2a n GLU 237 Ca 0.09 -1.48 -0.42 0.00 -0.02 0.00 0.00 57.16 55.33 1s2a n GLU 237 Cb 0.17 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1s2a n GLU 237 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s2a s ASP 238 N -1.52 6.69 0.37 1.62 2.15 -0.58 -4.90 116.67 120.50 1s2a s ASP 238 Ca 0.34 2.50 0.06 0.00 0.43 0.00 0.00 52.55 55.88 1s2a s ASP 238 Cb 0.19 -2.59 0.73 0.00 -0.30 0.00 0.00 42.92 40.95 1s2a s ASP 238 CO 0.27 -0.74 1.97 -0.65 -0.17 0.00 0.00 175.17 175.86 1s2a h PRO 239 N 6.57 0.55 -0.29 4.34 0.11 -1.93 -0.95 132.00 140.40 1s2a h PRO 239 Ca -0.43 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1s2a h PRO 239 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1s2a h PRO 239 CO 0.88 0.46 -0.15 0.28 -0.21 0.00 0.00 178.00 179.26 1s2a h VAL 240 N 0.55 1.30 -0.61 3.15 2.07 -1.98 -0.37 116.25 120.35 1s2a h VAL 240 Ca 0.14 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1s2a h VAL 240 Cb 0.11 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1s2a h VAL 240 CO -0.01 0.40 0.16 -0.07 0.02 0.00 0.00 177.57 178.06 1s2a h LEU 241 N 0.35 0.88 -0.54 2.57 3.38 -1.85 -1.21 115.31 118.89 1s2a h LEU 241 Ca 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1s2a h LEU 241 Cb 0.67 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1s2a h LEU 241 CO 0.04 0.85 0.18 0.00 0.09 0.00 0.00 178.44 179.61 1s2a h ALA 243 N 1.04 0.92 -0.36 0.00 0.00 -0.71 -1.15 119.26 119.00 1s2a h ALA 243 Ca 0.18 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1s2a h ALA 243 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s2a h ALA 243 CO -0.01 0.66 -0.22 -0.07 0.00 0.00 0.00 179.25 179.62 1s2a h LEU 244 N 1.06 0.71 -0.67 0.00 3.38 -1.05 -0.77 115.31 117.97 1s2a h LEU 244 Ca 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1s2a h LEU 244 Cb 0.41 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1s2a h LEU 244 CO 0.01 0.92 0.31 0.00 0.09 0.00 0.00 178.44 179.76 1s2a h ALA 245 N 1.14 0.86 -0.40 1.53 0.00 -0.56 -1.81 119.26 120.02 1s2a h ALA 245 Ca 0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1s2a h ALA 245 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1s2a h ALA 245 CO 0.05 0.44 -0.36 0.87 0.00 0.00 0.00 179.25 180.25 1s2a h LYS 246 N 0.93 0.95 -0.87 0.00 1.57 -0.96 0.38 116.57 118.56 1s2a h LYS 246 Ca 0.23 -0.49 0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1s2a h LYS 246 Cb 0.14 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1s2a h LYS 246 CO -0.03 1.15 0.55 -0.22 -0.57 0.00 0.00 179.45 180.33 1s2a h LYS 247 N 0.77 0.97 -0.02 3.15 3.64 -0.91 -2.62 116.57 121.54 1s2a h LYS 247 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1s2a h LYS 247 Cb 0.96 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1s2a h LYS 247 CO 0.09 0.64 -0.09 0.72 -2.27 0.00 0.00 179.45 178.54 1s2a n HIS 248 N -4.60 0.00 -4.06 1.91 8.25 -0.70 -4.96 115.22 111.06 1s2a n HIS 248 Ca 0.13 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.30 1s2a n HIS 248 Cb 0.17 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 1s2a n HIS 248 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s2a n LYS 249 N 0.64 -2.26 0.00 -0.41 5.02 -0.06 -4.99 118.16 116.10 1s2a n LYS 249 Ca 0.15 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1s2a n LYS 249 Cb 0.49 -4.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.41 1s2a n LYS 249 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s2a n ARG 250 N -4.48 3.50 -4.22 1.97 5.12 -0.16 -5.03 116.66 113.35 1s2a n ARG 250 Ca -0.29 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.48 1s2a n ARG 250 Cb 0.68 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.87 1s2a n ARG 250 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1s2a s THR 251 N 2.40 1.08 0.28 0.55 -4.23 -1.26 -4.65 115.64 109.80 1s2a s THR 251 Ca 0.00 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1s2a s THR 251 Cb 0.00 -1.64 0.27 0.00 1.34 0.00 0.00 72.50 72.47 1s2a s THR 251 CO 0.00 -0.66 1.79 -0.65 -0.54 0.00 0.00 174.62 174.56 1s2a h PRO 252 N 3.12 0.78 -0.40 3.99 0.11 -1.89 -1.74 132.00 135.97 1s2a h PRO 252 Ca -0.37 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.73 1s2a h PRO 252 Cb 1.19 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1s2a h PRO 252 CO 0.59 0.51 0.19 0.00 -0.21 0.00 0.00 178.00 179.08 1s2a h ALA 253 N 1.57 0.49 -0.63 -0.75 0.00 -1.94 -1.19 119.26 116.81 1s2a h ALA 253 Ca 0.50 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1s2a h ALA 253 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1s2a h ALA 253 CO -0.33 -0.18 0.21 -0.07 0.00 0.00 0.00 179.25 178.89 1s2a h LEU 254 N 0.39 0.87 -0.40 0.00 3.38 -1.75 -1.12 115.31 116.68 1s2a h LEU 254 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s2a h LEU 254 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1s2a h LEU 254 CO -0.13 0.81 0.21 0.40 0.09 0.00 0.00 178.44 179.82 1s2a h ILE 255 N 0.91 1.16 -0.59 1.22 1.08 -0.94 -0.65 117.51 119.70 1s2a h ILE 255 Ca 0.21 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1s2a h ILE 255 Cb 0.24 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1s2a h ILE 255 CO -0.01 0.17 0.22 0.00 -0.69 0.00 0.00 178.15 177.84 1s2a h ALA 256 N 1.06 1.28 -0.10 1.87 0.00 -0.59 -1.16 119.26 121.62 1s2a h ALA 256 Ca 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1s2a h ALA 256 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s2a h ALA 256 CO -0.02 0.53 -0.41 -0.07 0.00 0.00 0.00 179.25 179.28 1s2a h LEU 257 N 0.85 0.53 -0.97 0.00 3.38 -1.03 -3.23 115.31 114.83 1s2a h LEU 257 Ca 0.20 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1s2a h LEU 257 Cb 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1s2a h LEU 257 CO -0.02 1.07 0.31 -0.09 0.09 0.00 0.00 178.44 179.80 1s2a h ARG 258 N 0.02 1.05 -0.70 1.13 9.65 -0.92 -2.12 114.38 122.49 1s2a h ARG 258 Ca -0.02 -0.17 0.15 0.00 -1.10 0.00 0.00 59.98 58.84 1s2a h ARG 258 Cb 1.05 -0.18 -0.12 0.00 -1.39 0.00 0.00 29.97 29.32 1s2a h ARG 258 CO 0.09 0.83 -0.06 -0.92 2.80 0.00 0.00 179.97 182.71 1s2a h TYR 259 N 1.03 -0.15 -0.28 2.20 3.20 -1.26 -1.72 116.97 119.98 1s2a h TYR 259 Ca 0.24 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 1s2a h TYR 259 Cb 0.16 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1s2a h TYR 259 CO 0.01 -0.24 -0.07 1.96 -1.64 0.00 0.00 178.16 178.18 1s2a h GLN 260 N 0.07 0.55 -1.00 1.82 1.08 -1.41 -2.83 115.11 113.40 1s2a h GLN 260 Ca 0.36 -0.21 0.07 0.00 -1.45 0.00 0.00 58.65 57.42 1s2a h GLN 260 Cb 0.61 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.94 1s2a h GLN 260 CO -0.65 0.75 0.65 -0.07 -0.95 0.00 0.00 178.83 178.56 1s2a h LEU 261 N 0.31 1.03 -0.49 1.46 3.38 -1.13 -1.47 115.31 118.41 1s2a h LEU 261 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1s2a h LEU 261 Cb 0.55 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1s2a h LEU 261 CO 0.03 0.66 0.00 1.56 0.09 0.00 0.00 178.44 180.78 1s2a h GLN 262 N 1.17 0.00 -0.01 1.13 4.20 -1.19 -2.15 115.11 118.26 1s2a h GLN 262 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1s2a h GLN 262 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1s2a h GLN 262 CO -0.17 0.00 -0.06 0.54 -0.67 0.00 0.00 178.83 178.47 1s2a n ARG 263 N -2.42 1.52 -1.22 1.46 1.74 -0.64 -4.94 116.66 112.17 1s2a n ARG 263 Ca 0.03 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 1s2a n ARG 263 Cb 0.33 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1s2a n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s2a n GLY 264 N 1.23 0.50 3.70 -0.13 0.00 -0.81 -5.06 105.19 104.62 1s2a n GLY 264 Ca 0.17 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1s2a n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s2a s VAL 265 N -2.00 4.94 0.12 1.61 1.01 -0.71 -4.70 120.40 120.66 1s2a s VAL 265 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1s2a s VAL 265 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 1s2a s VAL 265 CO 0.00 0.51 0.95 -0.69 0.00 0.00 0.00 175.10 175.87 1s2a s VAL 266 N -0.05 4.48 -0.07 2.92 1.01 -0.79 -3.65 120.40 124.25 1s2a s VAL 266 Ca 0.07 2.05 0.04 0.00 0.00 0.00 0.00 61.98 64.15 1s2a s VAL 266 Cb -0.12 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1s2a s VAL 266 CO 0.01 0.33 -0.20 0.54 0.00 0.00 0.00 175.10 175.78 1s2a s VAL 267 N -0.10 1.74 0.28 2.92 0.11 -0.28 -0.43 120.40 124.63 1s2a s VAL 267 Ca 0.46 -0.86 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1s2a s VAL 267 Cb -0.23 -1.50 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 1s2a s VAL 267 CO 0.30 0.49 0.52 -0.76 -3.33 0.00 0.00 175.10 172.31 1s2a s LEU 268 N 0.23 4.09 -0.16 2.54 1.43 -0.61 -0.93 118.68 125.27 1s2a s LEU 268 Ca -0.11 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1s2a s LEU 268 Cb -0.15 -3.42 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1s2a s LEU 268 CO 0.05 -0.17 0.28 0.00 0.23 0.00 0.00 176.35 176.74 1s2a s ALA 269 N -2.06 -0.62 -0.12 4.21 0.00 -0.36 -4.49 121.76 118.31 1s2a s ALA 269 Ca 0.42 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1s2a s ALA 269 Cb -0.11 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1s2a s ALA 269 CO 0.30 -0.83 0.48 0.21 0.00 0.00 0.00 175.76 175.93 1s2a s LYS 270 N 2.44 4.34 -0.12 0.00 2.36 -1.26 -1.45 119.74 126.05 1s2a s LYS 270 Ca 0.03 0.45 -0.10 0.00 -2.55 0.00 0.00 55.97 53.80 1s2a s LYS 270 Cb -0.13 -3.44 0.03 0.00 -1.05 0.00 0.00 37.83 33.25 1s2a s LYS 270 CO -0.10 0.16 0.31 0.45 1.55 0.00 0.00 175.35 177.71 1s2a s SER 271 N 0.63 -0.33 -0.17 1.43 0.15 -1.26 -4.95 113.70 109.20 1s2a s SER 271 Ca 0.26 0.63 0.16 0.00 0.70 0.00 0.00 55.95 57.69 1s2a s SER 271 Cb -0.15 0.62 0.58 0.00 -1.71 0.00 0.00 66.02 65.36 1s2a s SER 271 CO 0.10 -0.12 1.49 -1.22 1.20 0.00 0.00 173.24 174.69 1s2a n TYR 272 N 3.11 1.17 -4.46 3.44 4.02 -1.26 -4.82 117.16 118.36 1s2a n TYR 272 Ca -0.15 -0.79 -0.34 0.00 -0.01 0.00 0.00 57.90 56.62 1s2a n TYR 272 Cb 0.57 -0.32 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 1s2a n TYR 272 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1s2a s ASN 273 N -1.54 4.24 0.22 7.72 3.84 -1.26 -4.98 114.94 123.17 1s2a s ASN 273 Ca 0.44 -0.31 -0.08 0.00 0.21 0.00 0.00 52.86 53.12 1s2a s ASN 273 Cb 0.34 -1.68 0.26 0.00 -0.55 0.00 0.00 41.25 39.61 1s2a s ASN 273 CO 0.12 0.12 1.84 -0.08 -2.79 0.00 0.00 177.10 176.31 1s2a h GLU 274 N 7.08 0.83 -0.38 0.43 4.81 -2.00 -0.57 114.58 124.78 1s2a h GLU 274 Ca -0.31 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1s2a h GLU 274 Cb 1.19 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1s2a h GLU 274 CO 0.59 0.55 0.10 0.37 -0.73 0.00 0.00 179.01 179.89 1s2a h GLN 275 N 0.86 0.60 -0.18 1.92 4.15 -2.00 -2.65 115.11 117.81 1s2a h GLN 275 Ca 0.32 -0.14 -0.14 0.00 0.77 0.00 0.00 58.65 59.46 1s2a h GLN 275 Cb 0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1s2a h GLN 275 CO -0.15 0.63 -0.47 0.00 -1.93 0.00 0.00 178.83 176.90 1s2a h ARG 276 N 0.46 0.45 -0.36 1.69 3.08 -1.87 -0.11 114.38 117.74 1s2a h ARG 276 Ca 0.12 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.94 1s2a h ARG 276 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1s2a h ARG 276 CO -0.00 0.83 0.17 0.82 -1.07 0.00 0.00 179.97 180.73 1s2a h ILE 277 N 0.36 0.97 -0.51 2.04 2.04 -1.05 -0.37 117.51 121.00 1s2a h ILE 277 Ca 0.02 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1s2a h ILE 277 Cb 0.97 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1s2a h ILE 277 CO 0.08 0.07 -0.11 0.03 0.00 0.00 0.00 178.15 178.22 1s2a h ARG 278 N 0.36 0.94 -0.81 2.37 3.08 -1.28 -2.97 114.38 116.06 1s2a h ARG 278 Ca 0.15 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.89 1s2a h ARG 278 Cb 0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1s2a h ARG 278 CO -0.11 0.99 0.53 0.37 -1.07 0.00 0.00 179.97 180.68 1s2a h GLN 279 N 0.84 1.02 0.00 0.04 4.15 -0.54 -3.11 115.11 117.50 1s2a h GLN 279 Ca 0.13 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1s2a h GLN 279 Cb 0.64 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1s2a h GLN 279 CO 0.04 0.67 -0.13 -0.91 -1.93 0.00 0.00 178.83 176.57 1s2a h ASN 280 N 1.05 0.00 0.74 -0.69 2.35 -0.91 -0.90 115.58 117.22 1s2a h ASN 280 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1s2a h ASN 280 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1s2a h ASN 280 CO -0.09 0.13 0.00 1.33 -1.65 0.00 0.00 177.43 177.15 1s2a n VAL 281 N -3.72 0.71 0.68 2.81 0.24 -1.17 -2.55 118.33 115.33 1s2a n VAL 281 Ca -0.02 0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.50 1s2a n VAL 281 Cb 0.25 -0.89 0.36 0.00 -1.47 0.00 0.00 33.84 32.09 1s2a n VAL 281 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s2a n GLN 282 N -1.71 0.22 0.08 7.34 6.02 -0.34 -3.14 117.38 125.84 1s2a n GLN 282 Ca 0.04 0.14 0.20 0.00 -0.01 0.00 0.00 57.00 57.37 1s2a n GLN 282 Cb 0.24 -1.50 0.75 0.00 1.02 0.00 0.00 30.24 30.75 1s2a n GLN 282 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1s2a h VAL 283 N 0.00 0.47 -0.01 5.09 3.04 -1.68 -0.58 116.25 122.58 1s2a h VAL 283 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1s2a h VAL 283 Cb 0.12 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1s2a h VAL 283 CO 0.00 0.00 -0.04 0.49 -1.01 0.00 0.00 177.57 177.01 1s2a n PHE 284 N -3.89 0.00 1.06 3.17 3.72 -1.19 -4.09 117.46 116.24 1s2a n PHE 284 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 1s2a n PHE 284 Cb 0.59 -0.06 0.13 0.00 -0.94 0.00 0.00 39.48 39.20 1s2a n PHE 284 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1s2a n GLU 285 N -0.60 0.46 -4.05 -1.08 1.02 -0.23 -4.98 120.64 111.18 1s2a n GLU 285 Ca 0.19 -0.33 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 1s2a n GLU 285 Cb 0.25 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1s2a n GLU 285 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1s2a s PHE 286 N -2.77 0.59 0.12 -0.32 -0.12 -1.26 -5.17 117.98 109.05 1s2a s PHE 286 Ca 0.15 -0.91 0.05 0.00 -0.05 0.00 0.00 56.93 56.17 1s2a s PHE 286 Cb 0.18 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 1s2a s PHE 286 CO 0.67 -0.92 -0.12 -0.65 -0.05 0.00 0.00 175.22 174.15 1s2a s GLN 287 N -4.00 0.98 -0.06 1.99 -0.21 -1.26 -5.01 119.66 112.09 1s2a s GLN 287 Ca 0.27 -1.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.34 1s2a s GLN 287 Cb 0.01 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.25 1s2a s GLN 287 CO 0.10 0.12 0.14 -0.51 -2.12 0.00 0.00 175.29 173.03 1s2a s LEU 288 N -2.61 4.27 0.83 2.90 1.43 -1.26 -5.11 118.68 119.13 1s2a s LEU 288 Ca 0.10 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1s2a s LEU 288 Cb -0.03 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.99 1s2a s LEU 288 CO 0.02 0.33 1.18 0.42 0.23 0.00 0.00 176.35 178.52 1s2a s THR 289 N -1.17 2.06 0.27 5.49 -4.23 -1.26 -4.86 115.64 111.93 1s2a s THR 289 Ca 0.21 -0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1s2a s THR 289 Cb -0.12 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.00 1s2a s THR 289 CO 0.11 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.12 1s2a h ALA 290 N -1.11 1.35 -0.31 3.99 0.00 -1.99 -1.08 119.26 120.11 1s2a h ALA 290 Ca -0.45 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1s2a h ALA 290 Cb 1.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1s2a h ALA 290 CO 0.56 0.57 -0.36 0.93 0.00 0.00 0.00 179.25 180.96 1s2a h GLU 291 N 1.25 0.71 -0.30 0.00 3.07 -1.99 -0.98 114.58 116.35 1s2a h GLU 291 Ca 0.38 -0.34 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1s2a h GLU 291 Cb -0.05 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1s2a h GLU 291 CO -0.10 0.95 0.19 -0.44 -1.40 0.00 0.00 179.01 178.21 1s2a h ASP 292 N 0.59 0.32 -0.64 1.42 3.45 -1.79 -1.62 116.42 118.16 1s2a h ASP 292 Ca 0.06 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.46 1s2a h ASP 292 Cb 0.88 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.55 1s2a h ASP 292 CO 0.08 0.24 0.19 0.24 -1.57 0.00 0.00 179.24 178.42 1s2a h MET 293 N 0.39 1.02 -0.65 3.56 2.86 -0.90 -1.33 114.93 119.89 1s2a h MET 293 Ca 0.11 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1s2a h MET 293 Cb -0.03 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1s2a h MET 293 CO -0.03 0.89 0.23 -0.22 1.06 0.00 0.00 176.91 178.84 1s2a h LYS 294 N 0.99 0.98 -0.71 1.72 3.64 -1.06 0.18 116.57 122.31 1s2a h LYS 294 Ca 0.22 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1s2a h LYS 294 Cb 0.30 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1s2a h LYS 294 CO -0.01 0.84 0.42 0.00 -2.27 0.00 0.00 179.45 178.44 1s2a h ALA 295 N 1.09 0.91 -0.34 5.00 0.00 -0.75 -1.85 119.26 123.31 1s2a h ALA 295 Ca 0.21 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1s2a h ALA 295 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s2a h ALA 295 CO -0.01 0.39 -0.38 0.82 0.00 0.00 0.00 179.25 180.07 1s2a h ILE 296 N 0.97 1.28 -0.29 0.00 2.04 -0.91 -2.78 117.51 117.82 1s2a h ILE 296 Ca 0.25 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.60 1s2a h ILE 296 Cb -0.02 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1s2a h ILE 296 CO -0.05 0.51 0.20 0.44 0.00 0.00 0.00 178.15 179.25 1s2a h ASP 297 N 0.67 0.20 0.47 1.72 3.32 -0.62 -1.91 116.42 120.27 1s2a h ASP 297 Ca 0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1s2a h ASP 297 Cb 0.94 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1s2a h ASP 297 CO 0.09 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.35 1s2a n GLY 298 N -1.53 -1.01 0.08 2.75 0.00 -0.73 -2.90 105.19 101.85 1s2a n GLY 298 Ca 0.03 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1s2a n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s2a n LEU 299 N -1.79 0.70 -4.66 0.99 4.77 -0.72 -4.91 117.00 111.38 1s2a n LEU 299 Ca 0.02 0.49 -0.48 0.00 -0.03 0.00 0.00 56.01 56.01 1s2a n LEU 299 Cb 0.16 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1s2a n LEU 299 CO 0.13 -0.13 1.24 -0.67 -1.33 0.00 0.00 177.39 176.63 1s2a n ASP 300 N -2.14 2.96 -0.43 -1.43 2.03 -0.70 -4.41 116.55 112.43 1s2a n ASP 300 Ca 0.05 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1s2a n ASP 300 Cb 0.42 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1s2a n ASP 300 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1s2a n ARG 301 N 4.21 0.00 -2.59 -0.67 1.85 -0.38 -4.97 116.66 114.10 1s2a n ARG 301 Ca 0.19 -0.83 -0.21 0.00 -1.00 0.00 0.00 57.85 56.00 1s2a n ARG 301 Cb 0.27 -0.45 0.00 0.00 -1.05 0.00 0.00 32.46 31.24 1s2a n ARG 301 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1s2a n ASN 302 N 0.00 -5.87 -4.36 2.89 5.15 -0.81 -4.93 115.26 107.33 1s2a n ASN 302 Ca 0.00 -0.09 -0.46 0.00 -0.60 0.00 0.00 54.58 53.43 1s2a n ASN 302 Cb 0.65 -4.84 -0.04 0.00 -0.53 0.00 0.00 39.78 35.02 1s2a n ASN 302 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1s2a s LEU 303 N -6.22 5.96 -0.33 1.20 0.20 -0.72 -4.99 118.68 113.79 1s2a s LEU 303 Ca 0.09 -2.01 -0.24 0.00 0.69 0.00 0.00 54.13 52.67 1s2a s LEU 303 Cb -0.04 -2.27 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 1s2a s LEU 303 CO 0.11 -0.88 0.82 -1.38 -0.29 0.00 0.00 176.35 174.73 1s2a s HIS 304 N 1.63 3.16 0.28 5.38 -3.43 -1.26 -4.34 115.29 116.71 1s2a s HIS 304 Ca 0.15 0.75 -0.03 0.00 -0.80 0.00 0.00 55.06 55.13 1s2a s HIS 304 Cb -0.18 -3.34 0.40 0.00 -1.43 0.00 0.00 32.58 28.03 1s2a s HIS 304 CO -0.02 -0.65 1.94 1.88 -2.00 0.00 0.00 174.74 175.90 1s2a h TYR 305 N 8.26 1.12 -2.82 0.38 0.05 -1.94 -3.37 116.97 118.65 1s2a h TYR 305 Ca -0.24 0.03 -0.57 0.00 0.05 0.00 0.00 58.73 57.99 1s2a h TYR 305 Cb 1.09 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 1s2a h TYR 305 CO 0.79 0.68 1.18 0.12 -1.05 0.00 0.00 178.16 179.88 1s2a s PHE 306 N -5.99 2.03 -0.48 4.88 5.36 -1.26 -4.07 117.98 118.45 1s2a s PHE 306 Ca -0.12 0.60 0.06 0.00 -0.96 0.00 0.00 56.93 56.52 1s2a s PHE 306 Cb 0.18 -4.11 0.25 0.00 -0.34 0.00 0.00 43.02 39.00 1s2a s PHE 306 CO 0.80 -2.77 0.88 -1.71 -1.46 0.00 0.00 175.22 170.96 1s2a n ASN 307 N 9.34 -2.50 -4.26 6.13 5.15 -0.27 -5.04 115.26 123.82 1s2a n ASN 307 Ca 0.20 -3.29 -0.26 0.00 -0.60 0.00 0.00 54.58 50.63 1s2a n ASN 307 Cb 0.46 1.58 -0.14 0.00 -0.53 0.00 0.00 39.78 41.15 1s2a n ASN 307 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1s2a s SER 308 N -1.61 2.54 0.47 1.20 0.15 -1.25 -4.79 113.70 110.41 1s2a s SER 308 Ca 0.31 -0.51 0.28 0.00 0.70 0.00 0.00 55.95 56.73 1s2a s SER 308 Cb 0.23 -0.22 1.34 0.00 -1.71 0.00 0.00 66.02 65.66 1s2a s SER 308 CO -0.21 0.18 1.79 0.44 1.20 0.00 0.00 173.24 176.64 1s2a h ASP 309 N 4.95 0.21 -0.19 5.45 3.45 -1.95 -1.04 116.42 127.29 1s2a h ASP 309 Ca -0.43 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.08 1s2a h ASP 309 Cb 1.16 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 1s2a h ASP 309 CO 0.44 0.03 0.13 0.77 -1.57 0.00 0.00 179.24 179.04 1s2a h SER 310 N 0.18 0.21 0.00 6.45 4.64 -1.95 -3.18 113.55 119.90 1s2a h SER 310 Ca 0.57 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1s2a h SER 310 Cb 1.87 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1s2a h SER 310 CO -0.15 0.15 -1.10 0.49 -0.87 0.00 0.00 176.83 175.36 1s2a n PHE 311 N -4.51 0.00 0.30 4.77 3.01 -1.03 -1.66 117.46 118.35 1s2a n PHE 311 Ca -0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1s2a n PHE 311 Cb 0.08 -0.11 0.68 0.00 -0.01 0.00 0.00 39.48 40.12 1s2a n PHE 311 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s2a h ALA 312 N 0.59 1.00 -0.03 4.37 0.00 -1.17 -1.24 119.26 122.78 1s2a h ALA 312 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s2a h ALA 312 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s2a h ALA 312 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1s2a n SER 313 N -2.59 2.54 -4.75 0.00 7.64 -1.25 -4.90 113.62 110.30 1s2a n SER 313 Ca 0.00 -1.85 -0.41 0.00 1.01 0.00 0.00 58.87 57.62 1s2a n SER 313 Cb 0.18 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1s2a n SER 313 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1s2a s HIS 314 N -1.99 2.99 0.56 1.43 5.04 -0.47 -4.90 115.29 117.96 1s2a s HIS 314 Ca 0.31 1.12 0.27 0.00 -1.54 0.00 0.00 55.06 55.22 1s2a s HIS 314 Cb 0.20 -3.81 1.50 0.00 0.04 0.00 0.00 32.58 30.52 1s2a s HIS 314 CO 0.31 -2.53 2.02 -1.35 -2.34 0.00 0.00 174.74 170.85 1s2a h PRO 315 N 4.52 0.00 -0.42 2.88 0.11 -1.92 -1.60 132.00 135.58 1s2a h PRO 315 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1s2a h PRO 315 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s2a h PRO 315 CO 0.74 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.62 1s2a n ASN 316 N -4.03 4.04 -4.69 -2.05 4.13 -1.26 -4.99 115.26 106.41 1s2a n ASN 316 Ca 0.06 -2.59 -0.55 0.00 1.68 0.00 0.00 54.58 53.18 1s2a n ASN 316 Cb 0.50 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 38.19 1s2a n ASN 316 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s2a n TYR 317 N 0.30 2.05 0.41 3.10 9.36 -0.61 -4.52 117.16 127.25 1s2a n TYR 317 Ca 0.21 0.43 0.13 0.00 3.32 0.00 0.00 57.90 61.99 1s2a n TYR 317 Cb 0.80 -2.49 0.45 0.00 -0.63 0.00 0.00 39.34 37.47 1s2a n TYR 317 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1s2a h PRO 318 N 7.25 0.00 -6.00 2.98 0.13 -1.91 -3.45 132.00 131.00 1s2a h PRO 318 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1s2a h PRO 318 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1s2a h PRO 318 CO 0.93 0.00 -0.34 0.71 -0.23 0.00 0.00 178.00 179.07 1s2a s TYR 319 N -3.31 3.56 -2.92 1.56 2.02 -1.26 -4.68 117.35 112.33 1s2a s TYR 319 Ca 0.06 0.62 0.23 0.00 -0.37 0.00 0.00 57.07 57.61 1s2a s TYR 319 Cb 0.09 -2.03 0.18 0.00 -0.40 0.00 0.00 41.96 39.80 1s2a s TYR 319 CO 0.54 0.56 1.24 0.43 -1.57 0.00 0.00 175.55 176.74