#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nia h ILE 9 N 0.00 1.23 -1.41 0.00 1.08 -2.05 -3.09 117.51 113.26 1nia h ILE 9 Ca 0.00 -0.73 0.44 0.00 -0.39 0.00 0.00 64.86 64.18 1nia h ILE 9 Cb 0.00 0.67 -0.11 0.00 -3.07 0.00 0.00 36.82 34.32 1nia h ILE 9 CO 0.00 0.28 0.95 0.77 -0.69 0.00 0.00 178.15 179.46 1nia h SER 10 N 0.76 0.18 -0.09 1.72 4.64 -2.06 0.25 113.55 118.95 1nia h SER 10 Ca 0.18 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1nia h SER 10 Cb 0.23 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1nia h SER 10 CO -0.01 -0.10 0.00 0.41 -0.87 0.00 0.00 176.83 176.26 1nia n THR 11 N -4.48 0.10 -3.21 2.95 -1.04 -1.17 -4.95 114.28 102.49 1nia n THR 11 Ca 0.36 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 1nia n THR 11 Cb 1.48 0.50 -0.06 0.00 -1.82 0.00 0.00 70.33 70.43 1nia n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nia s LEU 12 N -1.81 4.18 0.19 -4.42 1.43 0.88 -5.06 118.68 114.07 1nia s LEU 12 Ca 0.35 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.37 1nia s LEU 12 Cb 0.20 -3.80 -0.08 0.00 0.03 0.00 0.00 46.19 42.53 1nia s LEU 12 CO 0.30 -0.09 1.27 -2.16 0.23 0.00 0.00 176.35 175.91 1nia s PRO 13 N -2.61 4.42 -0.09 1.29 0.04 -1.26 -4.82 135.00 131.97 1nia s PRO 13 Ca 0.48 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1nia s PRO 13 Cb -0.12 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1nia s PRO 13 CO 0.19 -0.20 -0.09 1.03 0.04 0.00 0.00 177.00 177.97 1nia s ARG 14 N -0.14 2.97 -0.07 4.56 0.52 -1.26 -1.17 118.95 124.35 1nia s ARG 14 Ca 0.55 -0.60 -0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1nia s ARG 14 Cb -0.35 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.54 1nia s ARG 14 CO 0.38 0.50 -0.04 0.54 0.02 0.00 0.00 175.30 176.69 1nia s VAL 15 N -0.38 0.66 -0.01 3.52 0.11 -0.29 -4.97 120.40 119.04 1nia s VAL 15 Ca 0.05 -0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.80 1nia s VAL 15 Cb -0.12 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1nia s VAL 15 CO 0.02 0.28 0.55 -0.75 -3.33 0.00 0.00 175.10 171.87 1nia s LYS 16 N 1.44 4.24 -0.07 1.54 2.47 -1.26 -1.04 119.74 127.06 1nia s LYS 16 Ca -0.02 0.65 0.03 0.00 -1.56 0.00 0.00 55.97 55.06 1nia s LYS 16 Cb -0.13 -3.32 0.01 0.00 -1.46 0.00 0.00 37.83 32.93 1nia s LYS 16 CO -0.03 0.43 -0.16 0.54 0.16 0.00 0.00 175.35 176.29 1nia s VAL 17 N -0.37 1.41 -0.40 4.02 0.11 -0.53 -4.93 120.40 119.71 1nia s VAL 17 Ca 0.29 -0.64 -0.22 0.00 -2.93 0.00 0.00 61.98 58.48 1nia s VAL 17 Cb -0.18 -1.26 0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1nia s VAL 17 CO 0.16 0.42 0.70 -1.81 -3.33 0.00 0.00 175.10 171.24 1nia s ASP 18 N 0.55 6.42 0.66 3.54 1.01 -1.26 -4.56 116.67 123.03 1nia s ASP 18 Ca -0.16 -0.00 -0.17 0.00 0.71 0.00 0.00 52.55 52.94 1nia s ASP 18 Cb -0.16 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1nia s ASP 18 CO 0.05 -0.74 1.20 -0.76 0.21 0.00 0.00 175.17 175.13 1nia s LEU 19 N 2.95 3.48 0.17 1.23 1.43 -1.26 -4.83 118.68 121.85 1nia s LEU 19 Ca 0.27 2.34 0.10 0.00 -1.03 0.00 0.00 54.13 55.80 1nia s LEU 19 Cb -0.14 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1nia s LEU 19 CO 0.18 -1.89 -0.18 -0.69 0.23 0.00 0.00 176.35 174.00 1nia s VAL 20 N -1.84 2.75 0.24 -1.59 1.01 -1.26 -5.01 120.40 114.69 1nia s VAL 20 Ca 0.75 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 1nia s VAL 20 Cb -0.29 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 1nia s VAL 20 CO 0.39 -0.05 1.04 -0.75 0.00 0.00 0.00 175.10 175.74 1nia s LYS 21 N -2.55 4.71 0.93 2.72 2.20 -1.26 -4.53 119.74 121.95 1nia s LYS 21 Ca 0.21 1.67 -0.10 0.00 -0.36 0.00 0.00 55.97 57.38 1nia s LYS 21 Cb -0.09 -3.25 0.15 0.00 -1.51 0.00 0.00 37.83 33.14 1nia s LYS 21 CO 0.11 0.28 1.13 -2.14 -0.36 0.00 0.00 175.35 174.38 1nia s PRO 22 N -1.08 0.91 0.00 4.03 0.02 -1.26 -2.29 135.00 135.33 1nia s PRO 22 Ca 0.44 1.46 0.14 0.00 0.02 0.00 0.00 61.00 63.07 1nia s PRO 22 Cb -0.29 -1.72 0.85 0.00 0.02 0.00 0.00 34.50 33.36 1nia s PRO 22 CO 0.36 -2.67 1.30 -0.35 -0.33 0.00 0.00 177.00 175.31 1nia n PRO 23 N -4.26 0.61 -2.05 5.54 -0.04 -1.26 -5.07 135.00 128.47 1nia n PRO 23 Ca 0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 1nia n PRO 23 Cb 0.52 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1nia n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nia s PHE 24 N -2.00 3.54 0.01 0.54 0.08 -0.97 -0.65 117.98 118.53 1nia s PHE 24 Ca 0.21 1.12 0.04 0.00 0.12 0.00 0.00 56.93 58.42 1nia s PHE 24 Cb 0.10 -2.71 -0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1nia s PHE 24 CO 0.16 -0.71 -0.13 0.08 -0.10 0.00 0.00 175.22 174.53 1nia s VAL 25 N -3.12 1.00 0.86 -0.44 1.01 -1.26 -4.60 120.40 113.85 1nia s VAL 25 Ca 0.54 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1nia s VAL 25 Cb -0.11 -0.87 0.12 0.00 0.00 0.00 0.00 36.38 35.52 1nia s VAL 25 CO 0.51 0.15 1.14 -1.38 0.00 0.00 0.00 175.10 175.53 1nia s HIS 26 N -0.52 1.86 0.40 5.22 -3.43 -1.26 -4.94 115.29 112.61 1nia s HIS 26 Ca 0.03 1.73 -0.27 0.00 -0.80 0.00 0.00 55.06 55.75 1nia s HIS 26 Cb -0.06 -3.30 -0.09 0.00 -1.43 0.00 0.00 32.58 27.70 1nia s HIS 26 CO 0.00 -2.59 1.38 0.00 -2.00 0.00 0.00 174.74 171.54 1nia s ALA 27 N -2.63 3.37 0.17 -1.38 0.00 -1.26 -5.00 121.76 115.04 1nia s ALA 27 Ca 0.66 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.77 1nia s ALA 27 Cb -0.22 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.41 1nia s ALA 27 CO 0.56 -0.94 0.83 -3.38 0.00 0.00 0.00 175.76 172.83 1nia s HIS 28 N -1.19 -0.22 -0.04 0.00 -3.43 -1.26 -5.05 115.29 104.09 1nia s HIS 28 Ca 0.55 -0.10 0.01 0.00 -0.80 0.00 0.00 55.06 54.72 1nia s HIS 28 Cb -0.42 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 1nia s HIS 28 CO 0.55 -0.93 -0.03 -0.51 -2.00 0.00 0.00 174.74 171.82 1nia s ASP 29 N -2.85 4.94 -0.03 7.38 1.01 -1.26 -5.03 116.67 120.83 1nia s ASP 29 Ca 0.10 0.00 -0.22 0.00 0.71 0.00 0.00 52.55 53.14 1nia s ASP 29 Cb -0.03 -1.28 -0.26 0.00 1.01 0.00 0.00 42.92 42.36 1nia s ASP 29 CO 0.01 0.33 1.01 1.56 0.21 0.00 0.00 175.17 178.28 1nia h GLN 30 N 4.82 0.32 -5.25 8.23 4.20 -1.97 -3.43 115.11 122.03 1nia h GLN 30 Ca -0.49 -0.40 -0.61 0.00 0.06 0.00 0.00 58.65 57.20 1nia h GLN 30 Cb 1.18 0.13 -0.15 0.00 0.30 0.00 0.00 27.48 28.93 1nia h GLN 30 CO 0.55 1.11 -0.55 0.08 -0.67 0.00 0.00 178.83 179.35 1nia s VAL 31 N -2.90 4.93 0.04 -0.54 1.01 -1.26 -3.23 120.40 118.45 1nia s VAL 31 Ca -0.14 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 1nia s VAL 31 Cb 0.02 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1nia s VAL 31 CO 0.81 0.44 1.46 0.00 0.00 0.00 0.00 175.10 177.81 1nia s ALA 32 N 0.48 3.61 -2.79 5.51 0.00 -0.10 -4.92 121.76 123.55 1nia s ALA 32 Ca 0.04 1.02 0.24 0.00 0.00 0.00 0.00 51.96 53.27 1nia s ALA 32 Cb -0.12 -3.61 0.41 0.00 0.00 0.00 0.00 23.12 19.80 1nia s ALA 32 CO 0.00 -0.90 1.38 1.63 0.00 0.00 0.00 175.76 177.88 1nia n LYS 33 N 5.13 2.22 -4.26 0.00 5.02 -1.26 -4.95 118.16 120.05 1nia n LYS 33 Ca 0.13 -1.78 -0.17 0.00 -2.02 0.00 0.00 58.31 54.47 1nia n LYS 33 Cb 0.42 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 1nia n LYS 33 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1nia s THR 34 N -1.90 0.02 0.00 -0.18 -4.23 -1.26 -5.18 115.64 102.91 1nia s THR 34 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1nia s THR 34 Cb 0.21 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1nia s THR 34 CO 0.31 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1nia n GLY 35 N -0.52 -0.51 3.66 3.99 0.00 -1.26 -4.99 105.19 105.57 1nia n GLY 35 Ca 0.06 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1nia n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nia n PRO 36 N -0.27 1.23 -4.20 1.61 -0.02 -1.26 -5.01 135.00 127.07 1nia n PRO 36 Ca 0.00 0.46 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1nia n PRO 36 Cb 0.00 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 1nia n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nia s ARG 37 N -2.75 1.05 -0.33 -0.52 0.52 -1.26 -4.48 118.95 111.18 1nia s ARG 37 Ca 0.73 -1.51 -0.08 0.00 -0.52 0.00 0.00 55.73 54.35 1nia s ARG 37 Cb -0.43 -0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.05 1nia s ARG 37 CO 0.48 -0.21 0.13 0.08 0.02 0.00 0.00 175.30 175.80 1nia s VAL 38 N -3.87 4.14 -0.24 3.52 1.01 -0.32 -0.10 120.40 124.54 1nia s VAL 38 Ca 0.26 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1nia s VAL 38 Cb 0.07 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1nia s VAL 38 CO 0.04 -0.07 0.12 -0.69 0.00 0.00 0.00 175.10 174.50 1nia s VAL 39 N 1.50 4.95 -0.15 2.92 1.01 -0.20 -1.14 120.40 129.29 1nia s VAL 39 Ca 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1nia s VAL 39 Cb -0.18 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1nia s VAL 39 CO 0.04 0.35 0.10 -1.61 0.00 0.00 0.00 175.10 173.97 1nia s GLU 40 N 1.22 3.69 0.08 2.72 2.02 -0.21 -0.97 118.70 127.25 1nia s GLU 40 Ca 0.06 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1nia s GLU 40 Cb -0.14 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 1nia s GLU 40 CO 0.05 0.52 -0.12 -0.06 0.02 0.00 0.00 175.26 175.67 1nia s PHE 41 N -0.31 1.10 -0.05 1.61 0.08 -0.01 -1.45 117.98 118.94 1nia s PHE 41 Ca 0.10 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.66 1nia s PHE 41 Cb -0.12 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 1nia s PHE 41 CO 0.01 0.03 -0.13 0.99 -0.10 0.00 0.00 175.22 176.02 1nia s THR 42 N -1.63 1.17 -0.04 0.64 2.01 -1.26 -1.09 115.64 115.43 1nia s THR 42 Ca -0.01 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1nia s THR 42 Cb -0.08 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1nia s THR 42 CO 0.01 0.36 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.21 1nia s MET 43 N 0.41 0.83 -0.17 4.92 -1.94 -0.25 -4.87 119.30 118.22 1nia s MET 43 Ca -0.10 -0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 53.71 1nia s MET 43 Cb -0.13 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 1nia s MET 43 CO 0.03 -0.05 -0.02 0.99 -0.01 0.00 0.00 175.02 175.96 1nia s THR 44 N 0.78 3.97 0.11 2.05 2.01 -1.26 -1.01 115.64 122.29 1nia s THR 44 Ca -0.11 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1nia s THR 44 Cb -0.13 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.56 1nia s THR 44 CO 0.00 0.47 0.99 -0.63 -0.69 0.00 0.00 174.62 174.76 1nia s ILE 45 N 0.55 4.43 -0.08 1.82 1.01 0.00 0.26 121.20 129.20 1nia s ILE 45 Ca -0.02 2.00 -0.02 0.00 0.00 0.00 0.00 60.65 62.61 1nia s ILE 45 Cb -0.14 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1nia s ILE 45 CO 0.02 0.30 0.01 -1.61 0.00 0.00 0.00 174.94 173.66 1nia s GLU 46 N 0.06 0.57 -0.22 2.79 2.02 -0.68 -4.45 118.70 118.80 1nia s GLU 46 Ca 0.48 0.06 -0.16 0.00 0.02 0.00 0.00 54.97 55.37 1nia s GLU 46 Cb -0.24 -1.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 1nia s GLU 46 CO 0.30 -0.34 0.43 -1.21 0.02 0.00 0.00 175.26 174.46 1nia s GLU 47 N 1.97 4.15 0.13 1.61 2.02 -1.26 -0.93 118.70 126.39 1nia s GLU 47 Ca 0.04 0.23 -0.18 0.00 0.02 0.00 0.00 54.97 55.09 1nia s GLU 47 Cb -0.13 -3.57 0.04 0.00 0.10 0.00 0.00 34.13 30.58 1nia s GLU 47 CO -0.06 -0.12 0.45 -1.59 0.02 0.00 0.00 175.26 173.97 1nia s LYS 48 N 1.58 1.12 0.34 1.61 -2.85 -0.13 -4.99 119.74 116.42 1nia s LYS 48 Ca 0.20 -0.63 -0.26 0.00 -1.00 0.00 0.00 55.97 54.27 1nia s LYS 48 Cb -0.15 0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 1nia s LYS 48 CO 0.09 -0.45 1.01 0.15 0.10 0.00 0.00 175.35 176.24 1nia s LYS 49 N -3.75 4.45 -0.00 1.78 1.02 -1.26 0.34 119.74 122.32 1nia s LYS 49 Ca 0.02 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.49 1nia s LYS 49 Cb 0.01 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1nia s LYS 49 CO -0.12 0.13 0.00 -1.17 -0.92 0.00 0.00 175.35 173.27 1nia s LEU 50 N -2.13 1.90 -0.28 3.17 2.96 0.23 -4.84 118.68 119.68 1nia s LEU 50 Ca 0.52 0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 54.31 1nia s LEU 50 Cb -0.22 -0.01 -0.05 0.00 0.50 0.00 0.00 46.19 46.41 1nia s LEU 50 CO 0.28 -0.01 0.23 -0.69 -1.32 0.00 0.00 176.35 174.84 1nia s VAL 51 N 0.12 5.28 -1.27 1.68 1.01 -1.26 -1.18 120.40 124.78 1nia s VAL 51 Ca -0.01 0.23 0.22 0.00 0.00 0.00 0.00 61.98 62.42 1nia s VAL 51 Cb -0.01 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 1nia s VAL 51 CO -0.00 0.22 1.03 2.30 0.00 0.00 0.00 175.10 178.65 1nia n ILE 52 N 5.07 0.00 -4.17 2.22 -5.35 -0.32 -4.83 119.36 111.98 1nia n ILE 52 Ca -0.13 -0.07 -0.14 0.00 -0.27 0.00 0.00 62.75 62.15 1nia n ILE 52 Cb 0.52 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 1nia n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1nia s ASP 53 N -2.86 0.63 0.50 7.28 1.47 -1.26 -1.46 116.67 120.96 1nia s ASP 53 Ca 0.11 -1.43 0.26 0.00 1.18 0.00 0.00 52.55 52.67 1nia s ASP 53 Cb 0.17 0.51 1.30 0.00 -0.34 0.00 0.00 42.92 44.55 1nia s ASP 53 CO 0.77 -1.02 2.01 0.03 0.68 0.00 0.00 175.17 177.64 1nia h ARG 54 N 2.35 0.00 -0.04 2.11 -0.00 -1.95 -2.74 114.38 114.11 1nia h ARG 54 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1nia h ARG 54 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1nia h ARG 54 CO 0.44 0.16 0.00 0.39 0.00 0.00 0.00 179.97 180.95 1nia n GLU 55 N -3.64 1.11 -1.03 0.04 1.02 -1.26 -4.89 120.64 111.99 1nia n GLU 55 Ca -0.01 -0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 56.95 1nia n GLU 55 Cb 0.28 -1.13 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1nia n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nia n GLY 56 N 0.67 0.49 3.74 0.62 0.00 -1.03 -4.99 105.19 104.68 1nia n GLY 56 Ca 0.06 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1nia n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nia s THR 57 N -2.00 2.13 0.02 2.61 2.01 -1.26 -4.90 115.64 114.25 1nia s THR 57 Ca 0.00 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.17 1nia s THR 57 Cb 0.00 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1nia s THR 57 CO 0.00 0.01 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.03 1nia s GLU 58 N 0.13 1.51 0.14 4.92 2.12 -1.26 -1.18 118.70 125.09 1nia s GLU 58 Ca 0.67 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 55.11 1nia s GLU 58 Cb -0.48 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 1nia s GLU 58 CO 0.42 0.41 0.06 0.96 -0.54 0.00 0.00 175.26 176.57 1nia s ILE 59 N -0.69 0.12 -0.58 -3.70 -4.36 -0.33 -4.83 121.20 106.84 1nia s ILE 59 Ca 0.08 -1.93 -0.17 0.00 -0.26 0.00 0.00 60.65 58.37 1nia s ILE 59 Cb -0.09 -2.12 0.13 0.00 1.25 0.00 0.00 42.46 41.63 1nia s ILE 59 CO 0.01 -0.39 0.58 -1.00 0.24 0.00 0.00 174.94 174.38 1nia s HIS 60 N -4.04 3.21 0.37 1.37 3.76 -1.26 -0.60 115.29 118.10 1nia s HIS 60 Ca 0.26 -1.25 -0.17 0.00 -0.15 0.00 0.00 55.06 53.76 1nia s HIS 60 Cb 0.07 -3.87 -0.09 0.00 1.11 0.00 0.00 32.58 29.80 1nia s HIS 60 CO 0.04 -1.10 0.82 0.00 -0.85 0.00 0.00 174.74 173.64 1nia s ALA 61 N 1.83 3.22 -0.24 -1.40 0.00 0.15 -4.89 121.76 120.43 1nia s ALA 61 Ca 0.07 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1nia s ALA 61 Cb -0.27 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1nia s ALA 61 CO 0.03 0.21 -0.13 -1.64 0.00 0.00 0.00 175.76 174.23 1nia s MET 62 N -3.17 2.47 0.33 0.00 -1.94 -0.78 -0.95 119.30 115.26 1nia s MET 62 Ca 0.57 -1.19 0.10 0.00 -1.71 0.00 0.00 55.69 53.46 1nia s MET 62 Cb -0.10 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.88 1nia s MET 62 CO 0.18 -0.46 -0.11 0.95 -0.01 0.00 0.00 175.02 175.56 1nia s THR 63 N 1.16 2.35 -0.28 2.05 -4.23 -0.10 -1.67 115.64 114.93 1nia s THR 63 Ca -0.05 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.16 1nia s THR 63 Cb -0.18 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 1nia s THR 63 CO -0.07 -0.25 0.08 -0.36 -0.54 0.00 0.00 174.62 173.47 1nia s PHE 64 N -2.57 3.12 -1.32 3.99 0.08 -1.25 -1.68 117.98 118.34 1nia s PHE 64 Ca 0.32 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.61 1nia s PHE 64 Cb 0.00 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 1nia s PHE 64 CO 0.16 -0.50 0.00 0.09 -0.10 0.00 0.00 175.22 174.88 1nia n ASN 65 N 4.89 -4.45 0.00 1.36 4.13 0.14 -3.34 115.26 117.99 1nia n ASN 65 Ca -0.15 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1nia n ASN 65 Cb 0.49 -3.38 0.00 0.00 -1.54 0.00 0.00 39.78 35.36 1nia n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nia n GLY 66 N -1.17 0.67 3.33 7.41 0.00 -1.26 -4.99 105.19 109.18 1nia n GLY 66 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 1nia n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nia s SER 67 N -2.40 2.09 -0.21 1.61 1.04 -1.21 -5.01 113.70 109.61 1nia s SER 67 Ca 0.00 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 1nia s SER 67 Cb 0.00 -0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.13 1nia s SER 67 CO 0.00 -0.39 -0.01 -0.69 0.98 0.00 0.00 173.24 173.13 1nia s VAL 68 N -3.26 0.98 0.96 5.02 1.01 -1.26 -3.79 120.40 120.06 1nia s VAL 68 Ca 0.25 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1nia s VAL 68 Cb 0.04 -1.37 0.19 0.00 0.00 0.00 0.00 36.38 35.24 1nia s VAL 68 CO 0.07 -0.15 1.29 -2.16 0.00 0.00 0.00 175.10 174.15 1nia s PRO 69 N 1.65 0.64 0.83 2.72 0.04 -1.26 -2.31 135.00 137.31 1nia s PRO 69 Ca -0.03 -0.32 -0.11 0.00 0.04 0.00 0.00 61.00 60.58 1nia s PRO 69 Cb -0.18 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1nia s PRO 69 CO -0.07 -2.43 1.09 0.20 0.04 0.00 0.00 177.00 175.83 1nia s GLY 70 N -4.77 1.64 0.72 0.56 0.00 0.34 -4.71 107.32 101.10 1nia s GLY 70 Ca 0.72 0.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.36 1nia s GLY 70 CO 0.53 0.49 1.25 2.56 0.00 0.00 0.00 173.10 177.94 1nia s PRO 71 N -4.94 2.12 -0.12 2.90 0.04 -1.26 -4.45 135.00 129.30 1nia s PRO 71 Ca 0.62 1.92 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 1nia s PRO 71 Cb -0.17 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1nia s PRO 71 CO 0.56 -1.89 0.90 -1.17 0.04 0.00 0.00 177.00 175.44 1nia s LEU 72 N -4.99 4.23 -0.08 -3.56 2.96 -1.26 -4.28 118.68 111.70 1nia s LEU 72 Ca 0.78 1.35 -0.10 0.00 -0.22 0.00 0.00 54.13 55.95 1nia s LEU 72 Cb -0.33 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1nia s LEU 72 CO 0.45 -0.37 0.23 -0.04 -1.32 0.00 0.00 176.35 175.29 1nia s MET 73 N 1.85 3.62 -0.09 1.98 -1.94 -0.86 -4.58 119.30 119.28 1nia s MET 73 Ca 0.43 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 1nia s MET 73 Cb -0.18 -3.21 0.02 0.00 2.01 0.00 0.00 34.83 33.48 1nia s MET 73 CO 0.16 0.73 -0.08 0.08 -0.01 0.00 0.00 175.02 175.91 1nia s VAL 74 N -0.99 0.94 0.34 -6.03 1.01 -1.26 0.18 120.40 114.60 1nia s VAL 74 Ca 0.18 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1nia s VAL 74 Cb -0.14 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1nia s VAL 74 CO 0.07 0.34 0.25 0.68 0.00 0.00 0.00 175.10 176.44 1nia s VAL 75 N 1.43 0.10 0.22 2.92 -7.23 -0.12 -4.99 120.40 112.73 1nia s VAL 75 Ca -0.01 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1nia s VAL 75 Cb -0.13 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1nia s VAL 75 CO -0.05 0.00 0.07 -1.00 -0.31 0.00 0.00 175.10 173.82 1nia s HIS 76 N -3.41 2.92 0.27 2.82 3.76 -1.26 -0.34 115.29 120.05 1nia s HIS 76 Ca 0.37 -0.13 -0.31 0.00 -0.15 0.00 0.00 55.06 54.84 1nia s HIS 76 Cb 0.02 -1.36 -0.12 0.00 1.11 0.00 0.00 32.58 32.23 1nia s HIS 76 CO 0.25 0.55 1.50 -1.91 -0.85 0.00 0.00 174.74 174.28 1nia n GLU 77 N -0.64 2.37 -0.94 1.40 2.13 0.35 -1.98 120.64 123.32 1nia n GLU 77 Ca -0.08 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1nia n GLU 77 Cb 0.57 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.71 1nia n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nia n ASN 78 N 2.18 -0.18 -4.85 4.31 5.03 0.37 -4.73 115.26 117.39 1nia n ASN 78 Ca 0.10 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.25 1nia n ASN 78 Cb 0.34 -0.03 0.06 0.00 -1.02 0.00 0.00 39.78 39.13 1nia n ASN 78 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1nia s ASP 79 N -2.94 5.23 -0.14 6.41 1.01 -0.84 -4.63 116.67 120.78 1nia s ASP 79 Ca 0.00 1.27 -0.04 0.00 0.71 0.00 0.00 52.55 54.49 1nia s ASP 79 Cb 0.00 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.81 1nia s ASP 79 CO 0.00 -1.49 -0.01 -0.31 0.21 0.00 0.00 175.17 173.57 1nia s TYR 80 N -3.24 3.10 -0.23 4.23 1.51 0.85 -1.89 117.35 121.69 1nia s TYR 80 Ca 0.59 -0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.45 1nia s TYR 80 Cb -0.12 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.74 1nia s TYR 80 CO 0.53 0.14 0.18 0.08 -1.11 0.00 0.00 175.55 175.37 1nia s VAL 81 N 0.02 5.35 -0.27 0.71 1.01 0.13 -1.03 120.40 126.32 1nia s VAL 81 Ca 0.02 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1nia s VAL 81 Cb -0.13 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.79 1nia s VAL 81 CO 0.02 0.36 -0.07 -0.70 0.00 0.00 0.00 175.10 174.71 1nia s GLU 82 N 0.92 2.25 -0.19 2.72 2.12 -0.14 -1.31 118.70 125.06 1nia s GLU 82 Ca 0.09 -1.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.03 1nia s GLU 82 Cb -0.13 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 1nia s GLU 82 CO 0.03 -0.60 -0.07 -1.17 -0.54 0.00 0.00 175.26 172.91 1nia s LEU 83 N 1.13 2.89 -0.36 2.70 2.96 0.02 -0.83 118.68 127.18 1nia s LEU 83 Ca -0.07 -0.34 -0.16 0.00 -0.22 0.00 0.00 54.13 53.34 1nia s LEU 83 Cb -0.20 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 1nia s LEU 83 CO -0.04 0.06 0.41 -0.60 -1.32 0.00 0.00 176.35 174.86 1nia s ARG 84 N 1.01 3.45 -0.22 1.98 3.52 -0.25 -1.33 118.95 127.10 1nia s ARG 84 Ca -0.00 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1nia s ARG 84 Cb -0.15 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.37 1nia s ARG 84 CO -0.00 -0.63 0.05 -1.17 -0.81 0.00 0.00 175.30 172.74 1nia s LEU 85 N 2.12 3.49 -0.13 -0.88 2.96 0.86 -1.09 118.68 126.00 1nia s LEU 85 Ca 0.13 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1nia s LEU 85 Cb -0.16 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1nia s LEU 85 CO 0.12 0.04 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.43 1nia s ILE 86 N 1.19 3.00 -0.58 6.68 1.01 -0.18 -1.36 121.20 130.96 1nia s ILE 86 Ca 0.04 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1nia s ILE 86 Cb -0.14 -2.26 0.15 0.00 0.01 0.00 0.00 42.46 40.22 1nia s ILE 86 CO 0.03 0.52 0.35 0.21 0.00 0.00 0.00 174.94 176.06 1nia s ASN 87 N 0.38 4.74 0.68 3.58 3.84 -0.21 -0.82 114.94 127.13 1nia s ASN 87 Ca -0.11 -3.00 -0.17 0.00 0.21 0.00 0.00 52.86 49.79 1nia s ASN 87 Cb -0.16 -1.73 -0.02 0.00 -0.55 0.00 0.00 41.25 38.78 1nia s ASN 87 CO 0.06 -0.28 0.84 -0.81 -2.79 0.00 0.00 177.10 174.12 1nia n PRO 88 N 3.20 0.57 0.00 0.43 -0.04 -1.26 0.66 135.00 138.56 1nia n PRO 88 Ca 0.07 0.24 0.02 0.00 -0.04 0.00 0.00 63.50 63.80 1nia n PRO 88 Cb 0.35 -2.09 0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1nia n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nia n ASP 89 N -0.99 0.00 0.20 3.54 5.68 -1.26 -1.90 116.55 121.83 1nia n ASP 89 Ca 0.13 0.34 0.10 0.00 -0.50 0.00 0.00 54.79 54.85 1nia n ASP 89 Cb 0.49 -0.38 0.14 0.00 -1.14 0.00 0.00 41.12 40.23 1nia n ASP 89 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1nia h THR 90 N 0.00 0.18 -4.34 2.12 1.35 -1.95 -3.45 112.91 106.81 1nia h THR 90 Ca 0.00 -1.25 -0.49 0.00 -0.55 0.00 0.00 66.41 64.12 1nia h THR 90 Cb 0.07 2.08 0.10 0.00 -1.73 0.00 0.00 68.15 68.67 1nia h THR 90 CO 0.00 0.10 0.36 0.20 -0.25 0.00 0.00 175.52 175.93 1nia s ASN 91 N -6.25 4.92 -0.00 5.36 0.01 -0.80 -5.00 114.94 113.17 1nia s ASN 91 Ca 0.06 1.34 0.06 0.00 -0.71 0.00 0.00 52.86 53.61 1nia s ASN 91 Cb 0.06 -2.13 -0.08 0.00 0.41 0.00 0.00 41.25 39.51 1nia s ASN 91 CO 0.69 -1.70 0.21 0.35 -1.51 0.00 0.00 177.10 175.13 1nia n THR 92 N -3.27 0.00 -4.33 1.60 -2.24 -1.26 -4.71 114.28 100.08 1nia n THR 92 Ca 0.07 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1nia n THR 92 Cb 0.56 0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1nia n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nia s LEU 93 N -2.82 3.04 0.31 3.22 1.43 -1.26 -4.90 118.68 117.70 1nia s LEU 93 Ca 0.00 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.15 1nia s LEU 93 Cb 0.04 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 1nia s LEU 93 CO 0.26 0.03 0.90 -0.22 0.23 0.00 0.00 176.35 177.55 1nia s LEU 94 N -3.48 4.31 0.24 1.79 2.96 -1.26 -4.21 118.68 119.02 1nia s LEU 94 Ca 0.30 1.74 -0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1nia s LEU 94 Cb -0.07 -3.98 -0.03 0.00 0.50 0.00 0.00 46.19 42.61 1nia s LEU 94 CO 0.18 -0.07 0.21 -1.00 -1.32 0.00 0.00 176.35 174.35 1nia s HIS 95 N -1.65 1.22 0.00 5.38 3.76 -0.02 -4.93 115.29 119.06 1nia s HIS 95 Ca 0.50 -1.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1nia s HIS 95 Cb -0.17 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1nia s HIS 95 CO 0.22 -0.75 0.00 0.27 -0.85 0.00 0.00 174.74 173.64 1nia n ASN 96 N -0.63 0.00 -3.75 1.40 6.94 -1.26 -0.20 115.26 117.77 1nia n ASN 96 Ca 0.03 -0.76 -0.13 0.00 -0.02 0.00 0.00 54.58 53.70 1nia n ASN 96 Cb 0.65 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.96 1nia n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1nia s ILE 97 N -2.95 0.00 -0.12 1.53 2.07 -1.26 -4.36 121.20 116.10 1nia s ILE 97 Ca 0.00 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1nia s ILE 97 Cb 0.00 -0.53 0.02 0.00 0.13 0.00 0.00 42.46 42.09 1nia s ILE 97 CO 0.00 -0.01 -0.11 -0.62 -1.91 0.00 0.00 174.94 172.29 1nia s ASP 98 N 0.15 2.36 -0.20 4.50 -1.08 0.39 -0.71 116.67 122.07 1nia s ASP 98 Ca -0.00 -0.38 -0.08 0.00 -0.52 0.00 0.00 52.55 51.56 1nia s ASP 98 Cb -0.03 -0.99 -0.04 0.00 -1.46 0.00 0.00 42.92 40.41 1nia s ASP 98 CO 0.01 -0.07 0.08 -0.36 0.52 0.00 0.00 175.17 175.35 1nia s PHE 99 N 1.48 3.24 -0.90 -5.34 0.40 0.85 -0.92 117.98 116.79 1nia s PHE 99 Ca 0.02 0.03 0.21 0.00 -0.60 0.00 0.00 56.93 56.60 1nia s PHE 99 Cb -0.13 -2.14 0.88 0.00 0.51 0.00 0.00 43.02 42.14 1nia s PHE 99 CO -0.08 0.05 1.67 0.72 0.70 0.00 0.00 175.22 178.29 1nia n HIS 100 N 3.91 0.20 0.72 0.36 8.25 -0.52 -2.70 115.22 125.44 1nia n HIS 100 Ca -0.16 0.07 0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1nia n HIS 100 Cb 0.52 -0.61 0.31 0.00 1.12 0.00 0.00 29.99 31.33 1nia n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nia n ALA 101 N -1.56 2.79 -2.94 -1.41 0.00 -1.26 -4.91 120.51 111.21 1nia n ALA 101 Ca 0.05 -0.19 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 1nia n ALA 101 Cb 0.26 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1nia n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nia s ALA 102 N -3.10 3.92 -0.19 0.00 0.00 -1.10 -4.46 121.76 116.83 1nia s ALA 102 Ca 0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1nia s ALA 102 Cb 0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1nia s ALA 102 CO 0.66 0.42 -0.05 0.99 0.00 0.00 0.00 175.76 177.78 1nia s THR 103 N -1.84 3.45 0.00 0.00 2.01 -1.26 -4.58 115.64 113.42 1nia s THR 103 Ca 0.34 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1nia s THR 103 Cb -0.10 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1nia s THR 103 CO 0.28 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 1nia n GLY 104 N 4.36 1.66 4.26 4.40 0.00 -1.26 -4.90 105.19 113.72 1nia n GLY 104 Ca -0.18 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1nia n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia n ALA 105 N 1.99 -1.77 -3.88 4.61 0.00 -1.26 0.17 120.51 120.37 1nia n ALA 105 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 1nia n ALA 105 Cb 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 19.45 17.86 1nia n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nia n LEU 106 N -4.42 -2.66 -0.46 0.00 4.32 -1.26 -0.57 117.00 111.95 1nia n LEU 106 Ca -0.19 -0.75 -0.06 0.00 -0.02 0.00 0.00 56.01 54.99 1nia n LEU 106 Cb 0.62 -2.62 -0.03 0.00 -1.62 0.00 0.00 43.42 39.78 1nia n LEU 106 CO 0.85 0.49 -0.06 0.61 -1.22 0.00 0.00 177.39 178.07 1nia n GLY 107 N -1.73 0.81 0.00 -0.72 0.00 0.13 -2.88 105.19 100.79 1nia n GLY 107 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1nia n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nia n GLY 108 N -1.61 2.57 0.39 -0.02 0.00 0.27 -0.10 105.19 106.68 1nia n GLY 108 Ca -0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.13 1nia n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nia h GLY 109 N 0.00 0.77 2.00 -0.02 0.00 -0.72 0.19 103.07 105.30 1nia h GLY 109 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1nia h GLY 109 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1nia h ALA 110 N 1.63 1.00 -0.00 3.60 0.00 -1.70 -3.09 119.26 120.69 1nia h ALA 110 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nia h ALA 110 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nia h ALA 110 CO -0.14 0.00 -0.41 1.28 0.00 0.00 0.00 179.25 179.98 1nia n LEU 111 N -2.34 1.02 -0.43 0.00 4.32 -0.01 -4.69 117.00 114.86 1nia n LEU 111 Ca 0.03 -0.64 0.09 0.00 -0.02 0.00 0.00 56.01 55.47 1nia n LEU 111 Cb 0.30 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.29 1nia n LEU 111 CO 0.24 0.21 0.63 0.35 -1.22 0.00 0.00 177.39 177.60 1nia n THR 112 N -0.70 2.00 -2.12 -5.08 -2.24 -0.80 -4.98 114.28 100.36 1nia n THR 112 Ca 0.04 -2.02 -0.43 0.00 -2.27 0.00 0.00 64.05 59.37 1nia n THR 112 Cb 0.23 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1nia n THR 112 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nia s GLN 113 N -2.73 3.93 -0.06 -0.78 -0.21 -1.25 -4.17 119.66 114.38 1nia s GLN 113 Ca 0.35 1.78 0.03 0.00 0.02 0.00 0.00 55.36 57.54 1nia s GLN 113 Cb 0.29 -4.00 0.01 0.00 1.00 0.00 0.00 33.01 30.31 1nia s GLN 113 CO 0.06 -1.13 -0.14 0.14 -2.12 0.00 0.00 175.29 172.09 1nia s VAL 114 N 4.77 1.27 0.56 1.09 -7.23 0.72 -4.97 120.40 116.61 1nia s VAL 114 Ca 0.70 -0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1nia s VAL 114 Cb -0.26 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.57 1nia s VAL 114 CO 0.28 0.38 0.81 0.20 -0.31 0.00 0.00 175.10 176.46 1nia s ASN 115 N 0.43 5.40 0.27 4.85 0.01 -1.26 -0.84 114.94 123.81 1nia s ASN 115 Ca -0.11 0.28 -0.31 0.00 -0.71 0.00 0.00 52.86 52.01 1nia s ASN 115 Cb -0.14 -1.24 -0.12 0.00 0.41 0.00 0.00 41.25 40.15 1nia s ASN 115 CO 0.04 -1.09 1.57 -2.65 -1.51 0.00 0.00 177.10 173.45 1nia n PRO 116 N -2.42 2.54 -0.19 -0.60 -0.02 -1.26 -1.67 135.00 131.39 1nia n PRO 116 Ca 0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1nia n PRO 116 Cb 0.59 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1nia n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nia n GLY 117 N 2.36 0.62 3.48 -1.23 0.00 0.21 -4.68 105.19 105.95 1nia n GLY 117 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1nia n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nia s GLU 118 N -0.81 1.69 0.16 1.61 2.02 -0.67 -4.90 118.70 117.79 1nia s GLU 118 Ca 0.00 -1.80 -0.09 0.00 0.02 0.00 0.00 54.97 53.10 1nia s GLU 118 Cb 0.00 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.53 1nia s GLU 118 CO 0.00 0.27 0.28 -1.83 0.02 0.00 0.00 175.26 173.99 1nia s GLU 119 N -3.55 1.15 0.16 1.61 -1.05 -1.26 -1.04 118.70 114.71 1nia s GLU 119 Ca 0.30 -1.17 -0.22 0.00 -0.15 0.00 0.00 54.97 53.73 1nia s GLU 119 Cb -0.03 0.37 0.06 0.00 -0.44 0.00 0.00 34.13 34.10 1nia s GLU 119 CO 0.15 -0.42 0.57 -0.08 0.95 0.00 0.00 175.26 176.43 1nia s THR 120 N -3.97 0.01 -0.16 1.83 -1.32 -0.47 -5.00 115.64 106.57 1nia s THR 120 Ca 0.17 -0.09 -0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1nia s THR 120 Cb 0.03 -1.03 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1nia s THR 120 CO -0.00 -0.05 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.40 1nia s THR 121 N -3.76 1.22 -0.06 5.08 2.01 -1.26 -0.10 115.64 118.77 1nia s THR 121 Ca 0.01 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1nia s THR 121 Cb -0.01 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1nia s THR 121 CO -0.13 0.19 0.06 -0.22 -0.69 0.00 0.00 174.62 173.83 1nia s LEU 122 N 1.59 3.86 -0.03 4.42 2.96 -0.44 -4.94 118.68 126.11 1nia s LEU 122 Ca 0.01 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1nia s LEU 122 Cb -0.15 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1nia s LEU 122 CO -0.08 0.34 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.53 1nia s ARG 123 N -1.26 1.49 -0.04 1.98 3.52 -1.26 -0.80 118.95 122.58 1nia s ARG 123 Ca 0.17 -0.57 -0.13 0.00 -0.13 0.00 0.00 55.73 55.08 1nia s ARG 123 Cb -0.12 -1.36 0.02 0.00 -1.56 0.00 0.00 34.95 31.93 1nia s ARG 123 CO 0.07 0.28 0.30 -0.59 -0.81 0.00 0.00 175.30 174.55 1nia s PHE 124 N -0.14 -0.21 -0.05 5.12 -0.12 -0.43 -4.97 117.98 117.19 1nia s PHE 124 Ca 0.01 0.40 -0.25 0.00 -0.05 0.00 0.00 56.93 57.03 1nia s PHE 124 Cb -0.09 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1nia s PHE 124 CO 0.01 -0.32 0.76 0.21 -0.05 0.00 0.00 175.22 175.83 1nia s LYS 125 N -0.93 4.47 -1.24 1.99 2.20 -1.26 -0.70 119.74 124.27 1nia s LYS 125 Ca -0.10 1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 1nia s LYS 125 Cb -0.05 -3.45 0.14 0.00 -1.51 0.00 0.00 37.83 32.96 1nia s LYS 125 CO 0.03 0.05 1.54 0.00 -0.36 0.00 0.00 175.35 176.61 1nia n ALA 126 N 3.77 3.80 0.38 3.13 0.00 -0.79 -4.68 120.51 126.11 1nia n ALA 126 Ca 0.00 -4.12 0.13 0.00 0.00 0.00 0.00 53.44 49.46 1nia n ALA 126 Cb 0.51 -3.24 0.35 0.00 0.00 0.00 0.00 19.45 17.07 1nia n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1nia h THR 127 N 4.93 0.00 -3.86 0.00 1.35 -1.87 0.11 112.91 113.56 1nia h THR 127 Ca 0.36 -0.69 -0.62 0.00 -0.55 0.00 0.00 66.41 64.92 1nia h THR 127 Cb 0.87 1.66 -0.32 0.00 -1.73 0.00 0.00 68.15 68.63 1nia h THR 127 CO 1.32 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.20 1nia s LYS 128 N -3.25 2.17 0.27 4.72 1.02 -1.26 -4.79 119.74 118.62 1nia s LYS 128 Ca 0.07 -0.73 -0.22 0.00 0.02 0.00 0.00 55.97 55.11 1nia s LYS 128 Cb 0.08 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.47 1nia s LYS 128 CO 0.60 0.28 0.83 -1.25 -0.92 0.00 0.00 175.35 174.88 1nia s PRO 129 N 0.03 4.39 0.00 -1.68 0.04 -1.26 -4.81 135.00 131.71 1nia s PRO 129 Ca -0.06 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1nia s PRO 129 Cb -0.13 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1nia s PRO 129 CO 0.03 0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.81 1nia n GLY 130 N 0.60 0.75 3.80 0.56 0.00 0.52 -2.95 105.19 108.47 1nia n GLY 130 Ca -0.00 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1nia n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nia s VAL 131 N -1.21 5.41 0.17 1.61 -7.23 0.70 -0.59 120.40 119.25 1nia s VAL 131 Ca 0.00 0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.41 1nia s VAL 131 Cb 0.00 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1nia s VAL 131 CO 0.00 0.53 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.84 1nia s PHE 132 N -0.34 1.45 0.11 2.82 0.40 0.11 -4.48 117.98 118.05 1nia s PHE 132 Ca 0.11 -0.67 -0.07 0.00 -0.60 0.00 0.00 56.93 55.70 1nia s PHE 132 Cb -0.12 -0.71 -0.06 0.00 0.51 0.00 0.00 43.02 42.65 1nia s PHE 132 CO 0.01 0.19 0.38 0.08 0.70 0.00 0.00 175.22 176.59 1nia s VAL 133 N -3.09 5.14 0.03 -0.44 1.01 -1.26 -0.00 120.40 121.79 1nia s VAL 133 Ca 0.18 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1nia s VAL 133 Cb 0.01 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1nia s VAL 133 CO 0.03 0.15 -0.10 -0.72 0.00 0.00 0.00 175.10 174.46 1nia s TYR 134 N -1.54 0.88 0.22 5.22 -0.85 0.13 -1.45 117.35 119.96 1nia s TYR 134 Ca 0.37 -0.34 -0.22 0.00 -0.52 0.00 0.00 57.07 56.36 1nia s TYR 134 Cb -0.13 -0.53 0.04 0.00 0.38 0.00 0.00 41.96 41.73 1nia s TYR 134 CO 0.21 -0.01 0.67 -3.38 -1.52 0.00 0.00 175.55 171.53 1nia s HIS 135 N -0.85 -0.35 0.34 -3.49 -3.43 -0.10 -0.10 115.29 107.31 1nia s HIS 135 Ca -0.02 0.01 -0.26 0.00 -0.80 0.00 0.00 55.06 53.99 1nia s HIS 135 Cb -0.07 0.64 -0.10 0.00 -1.43 0.00 0.00 32.58 31.62 1nia s HIS 135 CO 0.01 -1.04 0.97 0.00 -2.00 0.00 0.00 174.74 172.67 1nia n ALA 137 N 0.44 0.04 -2.29 0.00 0.00 -1.26 -4.41 120.51 113.03 1nia n ALA 137 Ca 0.02 -2.15 -0.42 0.00 0.00 0.00 0.00 53.44 50.90 1nia n ALA 137 Cb 0.50 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1nia n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nia s PRO 138 N -0.11 4.45 -0.24 0.00 0.02 -1.26 -4.88 135.00 132.98 1nia s PRO 138 Ca 0.32 1.81 -0.39 0.00 0.02 0.00 0.00 61.00 62.76 1nia s PRO 138 Cb 0.22 -3.31 -0.15 0.00 0.02 0.00 0.00 34.50 31.29 1nia s PRO 138 CO -0.18 -0.20 1.79 -1.91 -0.33 0.00 0.00 177.00 176.17 1nia n GLU 139 N 3.46 1.40 0.00 5.54 4.07 -1.26 -1.25 120.64 132.60 1nia n GLU 139 Ca 0.07 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1nia n GLU 139 Cb 0.46 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 1nia n GLU 139 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nia n GLY 140 N 4.29 3.19 2.21 8.31 0.00 -1.26 -4.85 105.19 117.08 1nia n GLY 140 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 1nia n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nia n MET 141 N -0.79 1.84 0.27 1.61 0.00 -0.38 -4.94 117.12 114.73 1nia n MET 141 Ca 0.00 -3.37 -0.13 0.00 0.00 0.00 0.00 57.70 54.20 1nia n MET 141 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 33.22 31.68 1nia n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1nia h VAL 142 N 4.66 0.00 -0.84 3.17 2.07 -1.85 -2.17 116.25 121.30 1nia h VAL 142 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 1nia h VAL 142 Cb 1.43 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1nia h VAL 142 CO 0.29 0.00 0.55 1.55 0.02 0.00 0.00 177.57 179.97 1nia h PRO 143 N -0.78 0.54 -0.43 1.57 0.13 -1.92 -1.70 132.00 129.41 1nia h PRO 143 Ca -0.06 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1nia h PRO 143 Cb 0.64 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1nia h PRO 143 CO 0.04 0.36 0.10 2.35 -0.23 0.00 0.00 178.00 180.62 1nia h TRP 144 N 0.56 0.73 -0.36 1.56 7.01 -1.91 0.26 115.95 123.80 1nia h TRP 144 Ca 0.42 -0.09 -0.14 0.00 2.11 0.00 0.00 58.89 61.19 1nia h TRP 144 Cb 0.81 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1nia h TRP 144 CO -0.00 0.69 -0.30 0.45 -2.79 0.00 0.00 178.44 176.48 1nia h HIS 145 N 0.57 1.00 -0.47 2.65 3.86 -0.76 -2.47 115.15 119.52 1nia h HIS 145 Ca 0.13 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1nia h HIS 145 Cb 0.33 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1nia h HIS 145 CO 0.02 1.08 0.03 0.28 0.86 0.00 0.00 177.93 180.20 1nia h VAL 146 N 0.64 1.26 0.00 2.45 2.07 -1.13 -2.40 116.25 119.14 1nia h VAL 146 Ca 0.07 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1nia h VAL 146 Cb 0.88 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1nia h VAL 146 CO 0.08 0.35 0.00 0.35 0.02 0.00 0.00 177.57 178.37 1nia n THR 147 N -4.39 0.53 1.10 2.57 -2.24 0.06 -2.04 114.28 109.88 1nia n THR 147 Ca 0.01 0.13 0.09 0.00 -2.27 0.00 0.00 64.05 62.01 1nia n THR 147 Cb 0.28 -0.79 0.30 0.00 -2.10 0.00 0.00 70.33 68.03 1nia n THR 147 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nia n SER 148 N -1.43 1.76 0.00 3.42 7.64 -0.93 -4.63 113.62 119.44 1nia n SER 148 Ca 0.06 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.14 1nia n SER 148 Cb 0.21 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1nia n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nia n GLY 149 N 1.11 0.67 2.96 0.23 0.00 -0.86 -1.86 105.19 107.44 1nia n GLY 149 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1nia n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nia n MET 150 N -2.01 3.13 -3.53 1.61 0.00 -0.67 -4.62 117.12 111.03 1nia n MET 150 Ca 0.00 -3.03 -0.12 0.00 0.00 0.00 0.00 57.70 54.55 1nia n MET 150 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 33.22 29.96 1nia n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1nia s ASN 151 N 2.79 -0.42 0.00 6.12 2.20 -1.26 -2.02 114.94 122.34 1nia s ASN 151 Ca 0.46 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.33 1nia s ASN 151 Cb 0.10 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1nia s ASN 151 CO -0.03 -0.86 0.00 0.61 -2.94 0.00 0.00 177.10 173.88 1nia n GLY 152 N -0.10 2.77 3.16 0.45 0.00 0.86 -0.51 105.19 111.81 1nia n GLY 152 Ca -0.17 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 1nia n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia s ALA 153 N -1.01 -0.44 -0.04 4.61 0.00 -1.26 -0.69 121.76 122.92 1nia s ALA 153 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1nia s ALA 153 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1nia s ALA 153 CO 0.00 -0.27 -0.15 -1.50 0.00 0.00 0.00 175.76 173.84 1nia s ILE 154 N -1.72 1.31 -0.21 0.00 2.07 1.00 -2.04 121.20 121.61 1nia s ILE 154 Ca -0.12 -0.64 -0.05 0.00 -1.41 0.00 0.00 60.65 58.43 1nia s ILE 154 Cb -0.05 -1.14 -0.02 0.00 0.13 0.00 0.00 42.46 41.38 1nia s ILE 154 CO 0.01 0.38 -0.01 -0.32 -1.91 0.00 0.00 174.94 173.09 1nia s MET 155 N 0.13 3.55 -0.43 3.50 -2.45 0.13 0.06 119.30 123.79 1nia s MET 155 Ca -0.05 -0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 53.77 1nia s MET 155 Cb -0.12 -3.08 0.10 0.00 1.25 0.00 0.00 34.83 32.98 1nia s MET 155 CO 0.02 -0.07 0.26 0.08 1.05 0.00 0.00 175.02 176.36 1nia s VAL 156 N 1.21 3.86 0.33 10.11 1.01 0.24 -0.95 120.40 136.21 1nia s VAL 156 Ca 0.03 -1.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 1nia s VAL 156 Cb -0.15 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 1nia s VAL 156 CO 0.01 -0.64 0.95 -0.76 0.00 0.00 0.00 175.10 174.66 1nia s LEU 157 N 1.30 4.32 0.50 3.92 1.43 0.54 -0.36 118.68 130.34 1nia s LEU 157 Ca 0.05 1.84 -0.22 0.00 -1.03 0.00 0.00 54.13 54.76 1nia s LEU 157 Cb -0.24 -4.04 -0.06 0.00 0.03 0.00 0.00 46.19 41.88 1nia s LEU 157 CO -0.01 -0.09 1.26 -2.84 0.23 0.00 0.00 176.35 174.90 1nia s PRO 158 N -2.10 3.49 0.63 1.29 0.02 -1.26 -0.49 135.00 136.56 1nia s PRO 158 Ca 0.51 2.00 0.30 0.00 0.02 0.00 0.00 61.00 63.83 1nia s PRO 158 Cb -0.18 -2.35 1.65 0.00 0.02 0.00 0.00 34.50 33.63 1nia s PRO 158 CO 0.23 -0.84 1.98 0.00 -0.33 0.00 0.00 177.00 178.04 1nia h ARG 159 N 1.81 0.00 -0.45 5.54 3.08 -1.88 -0.66 114.38 121.83 1nia h ARG 159 Ca -0.50 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.46 1nia h ARG 159 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.27 1nia h ARG 159 CO 0.59 0.00 0.07 -0.40 -1.07 0.00 0.00 179.97 179.16 1nia n ASP 160 N -3.31 4.15 -0.28 7.04 5.75 -1.26 -0.93 116.55 127.70 1nia n ASP 160 Ca 0.02 -3.19 0.03 0.00 -0.01 0.00 0.00 54.79 51.63 1nia n ASP 160 Cb 0.43 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.88 1nia n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nia n GLY 161 N -0.39 -2.06 3.84 6.12 0.00 -0.25 -4.85 105.19 107.60 1nia n GLY 161 Ca 0.30 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1nia n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nia s LEU 162 N 0.00 3.63 0.09 0.99 1.43 -1.26 -4.43 118.68 119.13 1nia s LEU 162 Ca 0.00 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1nia s LEU 162 Cb 0.00 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1nia s LEU 162 CO 0.00 -0.61 -0.10 -0.54 0.23 0.00 0.00 176.35 175.33 1nia s LYS 163 N -4.04 0.82 0.00 1.70 -0.14 -1.26 -1.31 119.74 115.50 1nia s LYS 163 Ca 0.59 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 1nia s LYS 163 Cb -0.10 -0.55 0.00 0.00 -1.68 0.00 0.00 37.83 35.50 1nia s LYS 163 CO 0.31 0.09 0.00 -0.40 -0.76 0.00 0.00 175.35 174.59 1nia n ASP 164 N 0.70 0.00 0.05 2.83 5.68 0.96 -4.79 116.55 121.98 1nia n ASP 164 Ca -0.17 -0.74 0.05 0.00 -0.50 0.00 0.00 54.79 53.43 1nia n ASP 164 Cb 0.57 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.02 1nia n ASP 164 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nia h GLU 165 N 0.00 0.42 -0.63 0.11 9.09 -1.88 -1.12 114.58 120.58 1nia h GLU 165 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1nia h GLU 165 Cb 0.00 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1nia h GLU 165 CO 0.00 0.28 0.00 1.63 0.05 0.00 0.00 179.01 180.97 1nia n LYS 166 N -4.49 3.19 -0.97 1.06 5.02 -1.26 -4.89 118.16 115.82 1nia n LYS 166 Ca 0.02 -2.34 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1nia n LYS 166 Cb 0.08 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1nia n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nia n GLY 167 N 1.03 0.59 3.81 0.72 0.00 -0.42 -5.02 105.19 105.90 1nia n GLY 167 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1nia n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nia s GLN 168 N -0.24 4.32 0.49 1.61 -1.52 -1.26 -4.73 119.66 118.34 1nia s GLN 168 Ca 0.00 0.96 -0.23 0.00 -1.95 0.00 0.00 55.36 54.14 1nia s GLN 168 Cb 0.00 -2.88 -0.08 0.00 -0.22 0.00 0.00 33.01 29.83 1nia s GLN 168 CO 0.00 0.38 1.15 -2.30 -0.25 0.00 0.00 175.29 174.27 1nia n PRO 169 N 0.73 1.47 -3.91 2.91 -0.02 -1.26 -0.03 135.00 134.90 1nia n PRO 169 Ca -0.02 0.54 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 1nia n PRO 169 Cb 0.51 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1nia n PRO 169 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nia s LEU 170 N -1.86 1.56 -0.16 2.45 1.43 -0.43 -4.67 118.68 117.00 1nia s LEU 170 Ca 0.68 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1nia s LEU 170 Cb -0.48 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1nia s LEU 170 CO 0.53 -0.15 -0.16 -0.89 0.23 0.00 0.00 176.35 175.91 1nia s THR 171 N 1.62 2.60 0.22 5.49 2.01 -1.26 -4.17 115.64 122.14 1nia s THR 171 Ca 0.02 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1nia s THR 171 Cb -0.14 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1nia s THR 171 CO -0.08 0.52 0.46 -0.72 -0.69 0.00 0.00 174.62 174.10 1nia s TYR 172 N 0.87 3.47 -0.15 4.92 -0.85 -1.26 -4.79 117.35 119.56 1nia s TYR 172 Ca -0.04 0.56 0.18 0.00 -0.52 0.00 0.00 57.07 57.25 1nia s TYR 172 Cb -0.15 -2.02 -0.25 0.00 0.38 0.00 0.00 41.96 39.91 1nia s TYR 172 CO -0.01 0.32 0.26 -0.25 -1.52 0.00 0.00 175.55 174.35 1nia n ASP 173 N -0.47 0.15 -3.96 -0.18 8.00 0.10 -4.98 116.55 115.22 1nia n ASP 173 Ca -0.02 0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 1nia n ASP 173 Cb 0.53 1.01 -0.12 0.00 -0.02 0.00 0.00 41.12 42.52 1nia n ASP 173 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nia s LYS 174 N -2.72 0.25 -0.03 -1.24 1.02 -1.05 -5.02 119.74 110.94 1nia s LYS 174 Ca -0.09 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1nia s LYS 174 Cb 0.08 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1nia s LYS 174 CO 0.84 -0.03 -0.04 -1.50 -0.92 0.00 0.00 175.35 173.70 1nia s ILE 175 N -1.10 0.43 0.12 2.17 2.07 -1.26 -1.00 121.20 122.63 1nia s ILE 175 Ca -0.12 -0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.11 1nia s ILE 175 Cb -0.08 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1nia s ILE 175 CO -0.01 0.18 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.70 1nia s TYR 176 N 0.72 1.76 -0.19 3.50 2.02 -0.50 -4.49 117.35 120.17 1nia s TYR 176 Ca -0.09 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1nia s TYR 176 Cb -0.12 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 1nia s TYR 176 CO -0.00 0.23 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.57 1nia s TYR 177 N -1.46 2.86 -0.28 2.71 5.04 0.18 -1.34 117.35 125.05 1nia s TYR 177 Ca 0.09 -1.67 -0.01 0.00 -2.44 0.00 0.00 57.07 53.03 1nia s TYR 177 Cb -0.09 -1.94 0.04 0.00 0.35 0.00 0.00 41.96 40.33 1nia s TYR 177 CO 0.05 -0.80 -0.03 0.08 -1.34 0.00 0.00 175.55 173.51 1nia s VAL 178 N 1.28 2.87 -0.23 3.14 1.01 0.31 -4.23 120.40 124.56 1nia s VAL 178 Ca 0.03 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 1nia s VAL 178 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1nia s VAL 178 CO -0.11 0.01 0.13 -0.83 0.00 0.00 0.00 175.10 174.31 1nia s GLY 179 N 1.27 1.95 -0.16 4.51 0.00 -1.26 -1.40 107.32 112.23 1nia s GLY 179 Ca -0.04 -0.88 -0.10 0.00 0.00 0.00 0.00 44.72 43.70 1nia s GLY 179 CO -0.03 0.34 0.17 1.85 0.00 0.00 0.00 173.10 175.44 1nia s GLU 180 N 0.97 3.96 -0.08 2.90 2.12 -0.19 -1.75 118.70 126.63 1nia s GLU 180 Ca 0.07 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.31 1nia s GLU 180 Cb -0.13 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1nia s GLU 180 CO 0.03 0.45 -0.17 -1.14 -0.54 0.00 0.00 175.26 173.89 1nia s GLN 181 N -0.11 2.30 -0.27 4.30 2.00 0.53 -4.52 119.66 123.89 1nia s GLN 181 Ca 0.12 -0.62 -0.11 0.00 -2.00 0.00 0.00 55.36 52.76 1nia s GLN 181 Cb -0.12 -1.82 -0.05 0.00 0.80 0.00 0.00 33.01 31.83 1nia s GLN 181 CO 0.01 0.08 0.17 0.16 -0.50 0.00 0.00 175.29 175.22 1nia s ASP 182 N 0.56 5.92 0.01 6.67 -4.77 -1.26 -1.26 116.67 122.54 1nia s ASP 182 Ca -0.16 -0.03 0.02 0.00 -3.30 0.00 0.00 52.55 49.08 1nia s ASP 182 Cb -0.17 -2.10 -0.04 0.00 -1.09 0.00 0.00 42.92 39.53 1nia s ASP 182 CO 0.05 -0.04 0.00 -0.36 0.70 0.00 0.00 175.17 175.52 1nia s PHE 183 N 1.72 3.06 -0.60 2.11 0.08 0.25 -4.77 117.98 119.83 1nia s PHE 183 Ca 0.07 0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.24 1nia s PHE 183 Cb -0.16 -1.65 0.21 0.00 -0.57 0.00 0.00 43.02 40.85 1nia s PHE 183 CO 0.10 0.46 0.59 0.66 -0.10 0.00 0.00 175.22 176.93 1nia n TYR 184 N 1.30 2.44 -2.31 0.36 4.02 -1.26 -0.96 117.16 120.75 1nia n TYR 184 Ca -0.14 -4.03 -0.42 0.00 -0.01 0.00 0.00 57.90 53.29 1nia n TYR 184 Cb 0.53 -0.46 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1nia n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1nia s VAL 185 N -1.67 4.02 0.58 -0.72 1.01 -1.26 -4.71 120.40 117.65 1nia s VAL 185 Ca 0.33 1.30 -0.20 0.00 0.00 0.00 0.00 61.98 63.41 1nia s VAL 185 Cb 0.08 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1nia s VAL 185 CO -0.10 -0.06 1.33 -2.84 0.00 0.00 0.00 175.10 173.42 1nia s PRO 186 N 3.05 2.94 0.12 2.72 0.02 -1.26 -4.89 135.00 137.71 1nia s PRO 186 Ca 0.60 2.16 0.06 0.00 0.02 0.00 0.00 61.00 63.84 1nia s PRO 186 Cb -0.27 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 1nia s PRO 186 CO 0.21 -1.32 -0.14 0.15 -0.33 0.00 0.00 177.00 175.58 1nia s LYS 187 N -3.08 1.02 0.57 5.54 1.02 -1.26 -1.39 119.74 122.16 1nia s LYS 187 Ca 0.75 -1.25 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 1nia s LYS 187 Cb -0.39 -0.89 0.12 0.00 -0.52 0.00 0.00 37.83 36.14 1nia s LYS 187 CO 0.44 0.17 0.77 -0.40 -0.92 0.00 0.00 175.35 175.42 1nia n ASP 188 N 0.50 0.79 -0.33 2.83 5.68 -0.50 -4.91 116.55 120.62 1nia n ASP 188 Ca -0.15 -1.73 0.15 0.00 -0.50 0.00 0.00 54.79 52.56 1nia n ASP 188 Cb 0.57 -0.52 0.38 0.00 -1.14 0.00 0.00 41.12 40.41 1nia n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1nia h GLU 189 N 0.00 0.63 0.00 0.11 3.07 -2.02 -0.18 114.58 116.20 1nia h GLU 189 Ca -0.25 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.50 1nia h GLU 189 Cb 0.88 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1nia h GLU 189 CO 0.25 0.42 -0.32 0.00 -1.40 0.00 0.00 179.01 177.96 1nia h ALA 190 N 1.63 0.81 0.00 3.43 0.00 -2.06 -3.47 119.26 119.61 1nia h ALA 190 Ca 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nia h ALA 190 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1nia h ALA 190 CO -0.33 0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1nia n GLY 191 N 1.07 1.44 3.72 0.00 0.00 -0.08 -5.10 105.19 106.25 1nia n GLY 191 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1nia n GLY 191 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nia s ASN 192 N -2.00 6.80 0.33 1.61 0.01 -1.26 -4.80 114.94 115.63 1nia s ASN 192 Ca 0.00 0.96 -0.29 0.00 -0.71 0.00 0.00 52.86 52.82 1nia s ASN 192 Cb 0.00 -2.33 -0.11 0.00 0.41 0.00 0.00 41.25 39.22 1nia s ASN 192 CO 0.00 -0.05 1.51 -0.31 -1.51 0.00 0.00 177.10 176.74 1nia s TYR 193 N 0.70 2.72 0.58 2.20 2.02 -1.26 -1.41 117.35 122.90 1nia s TYR 193 Ca 0.30 1.03 -0.09 0.00 -0.37 0.00 0.00 57.07 57.94 1nia s TYR 193 Cb -0.16 -4.00 -0.04 0.00 -0.40 0.00 0.00 41.96 37.37 1nia s TYR 193 CO 0.13 -3.10 0.96 0.15 -1.57 0.00 0.00 175.55 172.12 1nia s LYS 194 N -1.33 3.53 0.03 -0.62 3.01 -0.48 -4.90 119.74 118.98 1nia s LYS 194 Ca 0.57 0.55 0.04 0.00 -1.01 0.00 0.00 55.97 56.12 1nia s LYS 194 Cb -0.46 -2.17 -0.02 0.00 -1.01 0.00 0.00 37.83 34.17 1nia s LYS 194 CO 0.55 -0.49 -0.12 0.15 0.51 0.00 0.00 175.35 175.95 1nia s LYS 195 N -5.05 0.81 0.15 1.68 1.02 -1.26 -4.82 119.74 112.27 1nia s LYS 195 Ca 0.53 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.85 1nia s LYS 195 Cb -0.11 -0.78 -0.05 0.00 -0.52 0.00 0.00 37.83 36.38 1nia s LYS 195 CO 0.51 0.19 -0.04 0.71 -0.92 0.00 0.00 175.35 175.80 1nia s TYR 196 N -0.85 1.17 0.02 3.18 1.51 -1.26 -5.07 117.35 116.06 1nia s TYR 196 Ca -0.00 -0.92 -0.11 0.00 -1.01 0.00 0.00 57.07 55.03 1nia s TYR 196 Cb -0.07 -0.65 -0.32 0.00 -0.11 0.00 0.00 41.96 40.80 1nia s TYR 196 CO 0.01 -0.11 0.96 1.05 -1.11 0.00 0.00 175.55 176.35 1nia h GLU 197 N 2.77 0.43 -4.69 -0.62 9.09 -2.02 -3.48 114.58 116.05 1nia h GLU 197 Ca -0.36 -0.73 -0.25 0.00 0.05 0.00 0.00 59.36 58.07 1nia h GLU 197 Cb 1.19 0.27 -0.15 0.00 -1.65 0.00 0.00 28.75 28.42 1nia h GLU 197 CO 0.64 1.34 -0.67 0.95 0.05 0.00 0.00 179.01 181.31 1nia s THR 198 N -2.61 0.61 0.19 -1.06 -4.23 -1.26 -5.06 115.64 102.22 1nia s THR 198 Ca -0.09 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 1nia s THR 198 Cb 0.05 -1.95 0.10 0.00 1.34 0.00 0.00 72.50 72.05 1nia s THR 198 CO 0.91 -0.62 1.78 -0.65 -0.54 0.00 0.00 174.62 175.50 1nia h PRO 199 N 2.82 0.51 -0.99 3.99 0.11 -1.94 -2.74 132.00 133.76 1nia h PRO 199 Ca -0.36 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.81 1nia h PRO 199 Cb 1.19 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 1nia h PRO 199 CO 0.63 0.34 0.63 0.78 -0.21 0.00 0.00 178.00 180.17 1nia h GLY 200 N 0.53 1.56 0.93 -0.55 0.00 -1.99 -1.56 103.07 101.99 1nia h GLY 200 Ca 0.25 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 47.21 1nia h GLY 200 CO -0.18 0.24 0.54 -2.09 0.00 0.00 0.00 176.54 175.05 1nia h GLU 201 N 1.07 0.88 0.00 4.80 4.81 -1.91 -2.43 114.58 121.80 1nia h GLU 201 Ca 0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1nia h GLU 201 Cb 0.33 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1nia h GLU 201 CO -0.22 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 178.64 1nia h ALA 202 N 1.55 1.00 -0.23 2.92 0.00 -1.30 -3.40 119.26 119.80 1nia h ALA 202 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1nia h ALA 202 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1nia h ALA 202 CO -0.13 0.00 -0.45 -0.92 0.00 0.00 0.00 179.25 177.75 1nia h TYR 203 N 0.00 -1.37 -0.71 0.00 3.20 -1.30 0.99 116.97 117.78 1nia h TYR 203 Ca 0.00 0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.07 1nia h TYR 203 Cb 0.70 0.63 -0.10 0.00 1.54 0.00 0.00 36.73 39.51 1nia h TYR 203 CO 0.00 -0.42 0.21 0.93 -1.64 0.00 0.00 178.16 177.24 1nia h GLU 204 N -0.40 0.33 -0.35 1.82 4.39 -1.79 -1.54 114.58 117.03 1nia h GLU 204 Ca 0.04 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1nia h GLU 204 Cb 0.52 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1nia h GLU 204 CO -0.43 0.22 -0.42 -0.44 -1.16 0.00 0.00 179.01 176.77 1nia h ASP 205 N 0.34 0.96 -0.77 1.42 3.32 -1.74 -3.08 116.42 116.87 1nia h ASP 205 Ca 0.39 -0.46 0.06 0.00 0.02 0.00 0.00 57.03 57.04 1nia h ASP 205 Cb 0.62 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 1nia h ASP 205 CO -0.44 1.25 0.46 0.00 -1.72 0.00 0.00 179.24 178.79 1nia h ALA 206 N 0.79 1.05 -0.58 3.45 0.00 0.02 -0.34 119.26 123.65 1nia h ALA 206 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nia h ALA 206 Cb 1.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1nia h ALA 206 CO 0.10 0.19 0.23 0.28 0.00 0.00 0.00 179.25 180.04 1nia h VAL 207 N 0.85 1.23 -0.37 0.00 2.07 -1.28 -0.23 116.25 118.51 1nia h VAL 207 Ca 0.34 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1nia h VAL 207 Cb 0.16 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1nia h VAL 207 CO -0.17 0.27 -0.05 0.11 0.02 0.00 0.00 177.57 177.76 1nia h LYS 208 N 0.80 0.61 -0.17 1.57 1.57 -1.27 -1.89 116.57 117.78 1nia h LYS 208 Ca 0.19 -0.16 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1nia h LYS 208 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nia h LYS 208 CO -0.02 0.66 -0.69 0.00 -0.57 0.00 0.00 179.45 178.84 1nia h ALA 209 N 1.38 0.46 -0.54 3.86 0.00 -0.66 -3.26 119.26 120.50 1nia h ALA 209 Ca 0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1nia h ALA 209 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1nia h ALA 209 CO 0.02 0.70 0.23 0.52 0.00 0.00 0.00 179.25 180.72 1nia h MET 210 N 0.50 0.80 0.00 0.00 2.86 -0.75 -2.95 114.93 115.39 1nia h MET 210 Ca -0.03 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1nia h MET 210 Cb 1.29 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1nia h MET 210 CO 0.14 0.69 0.00 0.54 1.06 0.00 0.00 176.91 179.33 1nia n ARG 211 N -4.53 0.00 0.16 1.72 1.74 -0.74 -0.73 116.66 114.27 1nia n ARG 211 Ca 0.03 0.44 0.12 0.00 -0.77 0.00 0.00 57.85 57.67 1nia n ARG 211 Cb 0.15 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.31 1nia n ARG 211 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1nia h THR 212 N 0.00 0.00 -0.50 0.55 1.35 -1.64 -3.47 112.91 109.19 1nia h THR 212 Ca 0.00 -0.79 -0.22 0.00 -0.55 0.00 0.00 66.41 64.85 1nia h THR 212 Cb 0.01 1.69 -0.09 0.00 -1.73 0.00 0.00 68.15 68.03 1nia h THR 212 CO 0.00 0.00 -0.20 0.18 -0.25 0.00 0.00 175.52 175.25 1nia n LEU 213 N -2.70 -0.50 -4.03 3.87 4.32 0.09 -4.96 117.00 113.09 1nia n LEU 213 Ca 0.04 0.26 -0.31 0.00 -0.02 0.00 0.00 56.01 55.98 1nia n LEU 213 Cb 0.49 -2.24 -0.15 0.00 -1.62 0.00 0.00 43.42 39.90 1nia n LEU 213 CO 0.34 -0.83 -0.43 -0.89 -1.22 0.00 0.00 177.39 174.36 1nia s THR 214 N -2.12 2.05 0.59 -5.08 2.01 -1.26 -5.11 115.64 106.71 1nia s THR 214 Ca 0.00 -1.68 -0.19 0.00 0.31 0.00 0.00 61.69 60.13 1nia s THR 214 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1nia s THR 214 CO 0.00 -0.15 1.20 -2.84 -0.69 0.00 0.00 174.62 172.14 1nia s PRO 215 N 1.13 3.00 -0.07 4.92 0.02 -1.26 -4.93 135.00 137.81 1nia s PRO 215 Ca -0.05 1.81 0.14 0.00 0.02 0.00 0.00 61.00 62.93 1nia s PRO 215 Cb -0.20 -1.93 -0.23 0.00 0.02 0.00 0.00 34.50 32.16 1nia s PRO 215 CO -0.06 -1.18 0.53 0.25 -0.33 0.00 0.00 177.00 176.21 1nia n THR 216 N -1.57 1.52 -3.95 0.99 -2.24 -0.13 -4.93 114.28 103.97 1nia n THR 216 Ca 0.13 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 1nia n THR 216 Cb 0.50 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 1nia n THR 216 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nia s HIS 217 N -2.60 0.19 -0.20 4.78 3.76 -1.14 -4.89 115.29 115.20 1nia s HIS 217 Ca -0.06 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 1nia s HIS 217 Cb 0.08 -0.15 0.09 0.00 1.11 0.00 0.00 32.58 33.71 1nia s HIS 217 CO 0.83 -0.20 0.19 0.42 -0.85 0.00 0.00 174.74 175.13 1nia s ILE 218 N -1.36 -0.27 0.15 0.60 1.01 -0.87 -0.58 121.20 119.88 1nia s ILE 218 Ca -0.15 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1nia s ILE 218 Cb -0.09 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1nia s ILE 218 CO -0.00 -0.23 -0.11 0.68 0.00 0.00 0.00 174.94 175.28 1nia s VAL 219 N 2.28 1.24 -0.12 2.92 -7.23 -0.39 0.05 120.40 119.16 1nia s VAL 219 Ca 0.06 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1nia s VAL 219 Cb -0.16 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1nia s VAL 219 CO -0.12 -0.66 0.12 -0.36 -0.31 0.00 0.00 175.10 173.77 1nia s PHE 220 N -3.03 3.52 -1.36 2.82 0.08 -1.26 -0.35 117.98 118.41 1nia s PHE 220 Ca 0.15 0.46 -0.03 0.00 0.12 0.00 0.00 56.93 57.63 1nia s PHE 220 Cb 0.01 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1nia s PHE 220 CO 0.02 0.66 0.27 -1.71 -0.10 0.00 0.00 175.22 174.35 1nia n ASN 221 N 2.16 -4.73 0.00 1.36 4.05 -0.72 -3.16 115.26 114.21 1nia n ASN 221 Ca -0.19 -0.10 0.00 0.00 0.45 0.00 0.00 54.58 54.73 1nia n ASN 221 Cb 0.55 -3.92 0.00 0.00 1.23 0.00 0.00 39.78 37.63 1nia n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nia n GLY 222 N -1.11 3.33 3.45 8.20 0.00 -0.98 -4.76 105.19 113.32 1nia n GLY 222 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1nia n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia s ALA 223 N -2.43 -1.67 0.05 4.61 0.00 -1.19 -4.66 121.76 116.47 1nia s ALA 223 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1nia s ALA 223 Cb 0.00 0.63 -0.09 0.00 0.00 0.00 0.00 23.12 23.67 1nia s ALA 223 CO 0.00 -0.69 1.86 0.08 0.00 0.00 0.00 175.76 177.01 1nia s VAL 224 N -3.20 3.00 0.00 0.00 1.01 -0.54 -1.50 120.40 119.17 1nia s VAL 224 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1nia s VAL 224 Cb -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1nia s VAL 224 CO -0.09 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1nia n GLY 225 N 4.35 0.43 0.20 4.51 0.00 -1.26 -4.79 105.19 108.63 1nia n GLY 225 Ca 0.19 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.50 1nia n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia h ALA 226 N 0.00 1.30 -0.41 4.61 0.00 -1.48 -3.06 119.26 120.23 1nia h ALA 226 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 1nia h ALA 226 Cb 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.61 1nia h ALA 226 CO 0.00 0.40 -0.07 1.28 0.00 0.00 0.00 179.25 180.86 1nia n LEU 227 N -3.92 4.34 -4.54 0.00 4.77 -1.26 -4.73 117.00 111.67 1nia n LEU 227 Ca -0.02 -3.84 -0.25 0.00 -0.03 0.00 0.00 56.01 51.87 1nia n LEU 227 Cb 0.39 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1nia n LEU 227 CO 0.37 1.31 -0.32 0.42 -1.33 0.00 0.00 177.39 177.84 1nia s THR 228 N -3.35 1.84 0.00 -5.08 -4.23 -1.16 -0.37 115.64 103.29 1nia s THR 228 Ca 0.46 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1nia s THR 228 Cb 0.41 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1nia s THR 228 CO -0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1nia n GLY 229 N -0.81 3.34 0.00 3.99 0.00 -1.26 -1.64 105.19 108.81 1nia n GLY 229 Ca -0.05 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1nia n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nia n ASP 230 N 4.09 0.00 -0.59 1.61 5.68 -1.26 -2.05 116.55 124.04 1nia n ASP 230 Ca 0.00 -0.29 0.06 0.00 -0.50 0.00 0.00 54.79 54.06 1nia n ASP 230 Cb 0.00 -0.04 0.10 0.00 -1.14 0.00 0.00 41.12 40.05 1nia n ASP 230 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1nia n HIS 231 N -1.04 0.21 -1.62 2.11 -0.00 -0.65 -5.03 115.22 109.21 1nia n HIS 231 Ca 0.08 -0.21 -0.39 0.00 -0.00 0.00 0.00 57.72 57.21 1nia n HIS 231 Cb 0.04 -0.01 0.04 0.00 -0.00 0.00 0.00 29.99 30.07 1nia n HIS 231 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nia n ALA 232 N 0.67 0.28 -1.78 -1.41 0.00 -0.87 -4.40 120.51 113.00 1nia n ALA 232 Ca 0.10 0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1nia n ALA 232 Cb 0.37 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 1nia n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nia s LEU 233 N -1.69 3.78 0.14 0.00 1.43 0.44 -4.82 118.68 117.95 1nia s LEU 233 Ca 0.72 1.88 0.08 0.00 -1.03 0.00 0.00 54.13 55.77 1nia s LEU 233 Cb -0.45 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.18 1nia s LEU 233 CO 0.50 -0.81 -0.17 0.42 0.23 0.00 0.00 176.35 176.52 1nia s THR 234 N -2.10 1.62 0.27 5.49 -4.23 -1.26 -0.67 115.64 114.77 1nia s THR 234 Ca 0.66 -1.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.20 1nia s THR 234 Cb -0.15 -1.67 0.06 0.00 1.34 0.00 0.00 72.50 72.07 1nia s THR 234 CO 0.23 -0.30 0.87 0.00 -0.54 0.00 0.00 174.62 174.88 1nia s ALA 235 N -1.90 -1.21 0.06 3.99 0.00 -1.01 -4.95 121.76 116.74 1nia s ALA 235 Ca 0.11 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1nia s ALA 235 Cb -0.06 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1nia s ALA 235 CO 0.05 -1.03 -0.12 0.00 0.00 0.00 0.00 175.76 174.66 1nia s ALA 236 N -2.75 0.95 0.10 0.00 0.00 -1.26 -1.58 121.76 117.22 1nia s ALA 236 Ca 0.16 -0.90 -0.35 0.00 0.00 0.00 0.00 51.96 50.87 1nia s ALA 236 Cb -0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 23.12 22.89 1nia s ALA 236 CO 0.07 0.10 1.55 0.28 0.00 0.00 0.00 175.76 177.76 1nia n VAL 237 N 1.39 0.06 0.00 0.00 0.31 0.19 -1.16 118.33 119.12 1nia n VAL 237 Ca -0.22 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1nia n VAL 237 Cb 0.54 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1nia n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nia n GLY 238 N 3.30 2.13 3.77 2.92 0.00 0.10 -4.98 105.19 112.43 1nia n GLY 238 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1nia n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nia s GLU 239 N -0.81 4.49 -0.25 1.61 2.02 -0.31 -4.82 118.70 120.62 1nia s GLU 239 Ca 0.00 1.06 -0.17 0.00 0.02 0.00 0.00 54.97 55.87 1nia s GLU 239 Cb 0.00 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1nia s GLU 239 CO 0.00 0.51 0.49 1.03 0.02 0.00 0.00 175.26 177.31 1nia s ARG 240 N -0.87 4.09 -0.04 1.61 3.00 -1.26 -2.24 118.95 123.24 1nia s ARG 240 Ca 0.35 0.29 0.05 0.00 0.00 0.00 0.00 55.73 56.42 1nia s ARG 240 Cb -0.22 -3.63 -0.02 0.00 0.00 0.00 0.00 34.95 31.08 1nia s ARG 240 CO 0.24 -0.28 -0.19 0.08 0.00 0.00 0.00 175.30 175.15 1nia s VAL 241 N 2.08 2.67 -0.17 3.52 1.01 0.12 0.02 120.40 129.64 1nia s VAL 241 Ca 0.21 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1nia s VAL 241 Cb -0.16 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1nia s VAL 241 CO 0.09 0.59 -0.07 -0.22 0.00 0.00 0.00 175.10 175.49 1nia s LEU 242 N -0.69 2.96 -0.31 3.92 2.96 -0.17 -1.01 118.68 126.33 1nia s LEU 242 Ca 0.11 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1nia s LEU 242 Cb -0.10 -1.71 0.06 0.00 0.50 0.00 0.00 46.19 44.93 1nia s LEU 242 CO -0.00 0.11 0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 1nia s VAL 243 N 0.71 2.90 0.02 1.68 1.01 0.06 -1.40 120.40 125.38 1nia s VAL 243 Ca -0.03 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.19 1nia s VAL 243 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1nia s VAL 243 CO 0.02 -0.18 0.70 -0.69 0.00 0.00 0.00 175.10 174.95 1nia s VAL 244 N 1.21 4.82 -0.04 2.92 1.01 -0.45 -1.85 120.40 128.02 1nia s VAL 244 Ca -0.03 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1nia s VAL 244 Cb -0.20 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1nia s VAL 244 CO -0.02 0.37 -0.08 -2.28 0.00 0.00 0.00 175.10 173.09 1nia s HIS 245 N -0.02 0.98 0.13 5.22 5.04 -0.28 -0.53 115.29 125.83 1nia s HIS 245 Ca 0.36 -0.30 0.06 0.00 -1.54 0.00 0.00 55.06 53.64 1nia s HIS 245 Cb -0.19 -0.77 -0.04 0.00 0.04 0.00 0.00 32.58 31.62 1nia s HIS 245 CO 0.20 -0.18 -0.15 -1.54 -2.34 0.00 0.00 174.74 170.74 1nia s SER 246 N 0.62 2.12 -0.27 9.88 1.04 -0.49 -0.69 113.70 125.91 1nia s SER 246 Ca -0.10 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1nia s SER 246 Cb -0.13 -0.08 0.15 0.00 0.10 0.00 0.00 66.02 66.06 1nia s SER 246 CO 0.01 -0.13 0.41 -1.58 0.98 0.00 0.00 173.24 172.93 1nia s GLN 247 N -2.76 0.40 0.00 4.02 -0.44 -0.83 -1.02 119.66 119.03 1nia s GLN 247 Ca 0.11 0.35 0.29 0.00 -2.50 0.00 0.00 55.36 53.61 1nia s GLN 247 Cb -0.05 -0.31 1.43 0.00 -1.64 0.00 0.00 33.01 32.45 1nia s GLN 247 CO 0.04 -0.86 2.00 0.00 0.50 0.00 0.00 175.29 176.97 1nia n ALA 248 N 5.36 2.42 -0.00 1.58 0.00 -1.26 0.43 120.51 129.04 1nia n ALA 248 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1nia n ALA 248 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1nia n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nia n ASN 249 N -1.32 0.00 -3.87 0.00 5.15 -1.26 -3.10 115.26 110.85 1nia n ASN 249 Ca 0.13 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.00 1nia n ASN 249 Cb 0.25 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.40 1nia n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1nia s ARG 250 N 0.00 0.45 0.44 1.20 3.52 -1.26 -4.69 118.95 118.61 1nia s ARG 250 Ca 0.00 -0.36 -0.25 0.00 -0.13 0.00 0.00 55.73 54.99 1nia s ARG 250 Cb 0.00 0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.50 1nia s ARG 250 CO 0.00 -0.10 1.32 -0.51 -0.81 0.00 0.00 175.30 175.19 1nia s ASP 251 N -1.27 6.05 0.16 -2.12 1.01 -1.26 -3.69 116.67 115.54 1nia s ASP 251 Ca -0.14 2.68 -0.02 0.00 0.71 0.00 0.00 52.55 55.78 1nia s ASP 251 Cb -0.07 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1nia s ASP 251 CO 0.01 -1.03 0.12 0.28 0.21 0.00 0.00 175.17 174.76 1nia s THR 252 N -1.29 0.07 -0.42 -1.27 -1.32 -0.68 -4.90 115.64 105.84 1nia s THR 252 Ca 0.61 -1.86 0.04 0.00 -1.21 0.00 0.00 61.69 59.27 1nia s THR 252 Cb -0.38 -2.15 0.17 0.00 -1.51 0.00 0.00 72.50 68.62 1nia s THR 252 CO 0.48 -0.30 0.39 0.00 -2.21 0.00 0.00 174.62 172.99 1nia s ARG 253 N -4.07 0.85 0.72 7.08 1.70 -1.26 -1.04 118.95 122.95 1nia s ARG 253 Ca 0.27 -1.69 -0.16 0.00 -0.47 0.00 0.00 55.73 53.69 1nia s ARG 253 Cb 0.07 -1.09 0.02 0.00 -0.57 0.00 0.00 34.95 33.38 1nia s ARG 253 CO 0.05 -1.33 1.14 -2.30 -1.08 0.00 0.00 175.30 171.77 1nia n PRO 254 N 3.18 0.60 -3.63 3.89 -0.02 -1.18 -0.26 135.00 137.58 1nia n PRO 254 Ca 0.24 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1nia n PRO 254 Cb 0.48 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1nia n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nia s HIS 255 N -1.77 -0.88 -0.46 6.00 2.46 0.20 -2.95 115.29 117.89 1nia s HIS 255 Ca 0.76 1.94 -0.12 0.00 0.47 0.00 0.00 55.06 58.11 1nia s HIS 255 Cb -0.34 0.43 0.09 0.00 -0.13 0.00 0.00 32.58 32.63 1nia s HIS 255 CO 0.47 -0.43 0.35 -1.17 -2.47 0.00 0.00 174.74 171.50 1nia s LEU 256 N 0.91 5.57 -0.14 8.88 2.96 -1.26 -0.83 118.68 134.77 1nia s LEU 256 Ca -0.04 -1.59 -0.29 0.00 -0.22 0.00 0.00 54.13 51.98 1nia s LEU 256 Cb -0.05 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1nia s LEU 256 CO -0.08 -0.65 1.85 -0.63 -1.32 0.00 0.00 176.35 175.51 1nia s ILE 257 N 1.50 3.35 0.00 6.68 1.01 0.21 -1.21 121.20 132.73 1nia s ILE 257 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1nia s ILE 257 Cb -0.25 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1nia s ILE 257 CO 0.03 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1nia n GLY 258 N 4.84 0.28 0.00 6.18 0.00 -1.26 -3.64 105.19 111.59 1nia n GLY 258 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1nia n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nia n GLY 259 N -1.76 5.48 1.80 -0.02 0.00 -0.35 -5.02 105.19 105.32 1nia n GLY 259 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 1nia n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nia n HIS 260 N 0.00 -1.62 -3.90 1.61 -0.00 -1.26 -4.76 115.22 105.28 1nia n HIS 260 Ca 0.00 -0.91 -0.33 0.00 -0.00 0.00 0.00 57.72 56.48 1nia n HIS 260 Cb 0.00 0.44 -0.13 0.00 -0.00 0.00 0.00 29.99 30.30 1nia n HIS 260 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1nia s GLY 261 N -2.00 2.19 0.16 -1.41 0.00 0.28 -4.77 107.32 101.77 1nia s GLY 261 Ca 0.08 -2.87 -0.16 0.00 0.00 0.00 0.00 44.72 41.77 1nia s GLY 261 CO 0.06 1.00 1.73 -0.55 0.00 0.00 0.00 173.10 175.35 1nia h ASP 262 N 7.28 0.05 -3.21 1.64 3.32 -1.58 0.48 116.42 124.40 1nia h ASP 262 Ca -0.07 0.06 -0.50 0.00 0.02 0.00 0.00 57.03 56.54 1nia h ASP 262 Cb 0.98 0.07 -0.37 0.00 0.22 0.00 0.00 39.33 40.22 1nia h ASP 262 CO 0.64 0.06 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.12 1nia s TYR 263 N -6.16 1.20 -0.03 4.55 2.02 -1.08 -1.65 117.35 116.19 1nia s TYR 263 Ca -0.13 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1nia s TYR 263 Cb 0.13 -1.08 -0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1nia s TYR 263 CO 0.71 -0.45 -0.15 0.08 -1.57 0.00 0.00 175.55 174.18 1nia s VAL 264 N 1.78 1.20 -0.80 0.71 1.01 0.43 -0.25 120.40 124.48 1nia s VAL 264 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1nia s VAL 264 Cb -0.12 -1.03 0.20 0.00 0.00 0.00 0.00 36.38 35.42 1nia s VAL 264 CO -0.07 0.35 0.64 0.26 0.00 0.00 0.00 175.10 176.28 1nia s TRP 265 N -0.06 3.74 0.28 5.22 0.51 0.41 -0.04 118.94 128.99 1nia s TRP 265 Ca -0.00 -3.15 0.01 0.00 -2.12 0.00 0.00 56.10 50.85 1nia s TRP 265 Cb -0.09 -3.02 0.64 0.00 -0.81 0.00 0.00 33.47 30.18 1nia s TRP 265 CO 0.01 -0.67 1.72 0.00 -0.51 0.00 0.00 176.95 177.51 1nia h ALA 266 N 5.82 1.35 -0.35 0.98 0.00 -1.88 0.30 119.26 125.48 1nia h ALA 266 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nia h ALA 266 Cb 0.80 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nia h ALA 266 CO 0.79 -0.23 0.00 0.25 0.00 0.00 0.00 179.25 180.06 1nia n THR 267 N -4.97 0.45 -1.51 0.00 -2.24 -1.26 -4.21 114.28 100.55 1nia n THR 267 Ca 0.20 -0.62 -0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1nia n THR 267 Cb 0.55 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 1nia n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nia n GLY 268 N 1.36 1.71 3.34 3.38 0.00 0.99 -4.66 105.19 111.32 1nia n GLY 268 Ca 0.18 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1nia n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nia s LYS 269 N -3.47 2.86 0.21 1.61 -0.14 -1.26 -0.22 119.74 119.33 1nia s LYS 269 Ca 0.00 -1.04 0.17 0.00 -1.36 0.00 0.00 55.97 53.74 1nia s LYS 269 Cb 0.00 -3.56 0.83 0.00 -1.68 0.00 0.00 37.83 33.42 1nia s LYS 269 CO 0.00 -0.61 1.51 1.19 -0.76 0.00 0.00 175.35 176.68 1nia n PHE 270 N 4.91 0.53 0.45 3.18 3.72 -1.15 -2.42 117.46 126.67 1nia n PHE 270 Ca -0.13 0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.66 1nia n PHE 270 Cb 0.46 -0.91 0.45 0.00 -0.94 0.00 0.00 39.48 38.54 1nia n PHE 270 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nia h ARG 271 N 0.00 0.00 -6.32 -1.08 3.08 -1.94 -3.44 114.38 104.68 1nia h ARG 271 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1nia h ARG 271 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1nia h ARG 271 CO 0.00 0.00 -0.18 -0.80 -1.07 0.00 0.00 179.97 177.92 1nia s ASN 272 N -4.74 6.60 0.49 7.04 0.01 -1.02 -5.07 114.94 118.25 1nia s ASN 272 Ca 0.07 0.82 -0.21 0.00 -0.71 0.00 0.00 52.86 52.83 1nia s ASN 272 Cb 0.10 -2.18 -0.08 0.00 0.41 0.00 0.00 41.25 39.50 1nia s ASN 272 CO 0.52 -0.00 1.07 -2.16 -1.51 0.00 0.00 177.10 175.02 1nia s PRO 273 N -2.64 3.71 0.67 -0.60 0.04 -1.26 -4.98 135.00 129.94 1nia s PRO 273 Ca 0.44 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1nia s PRO 273 Cb -0.12 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1nia s PRO 273 CO 0.22 -0.52 1.06 -1.25 0.04 0.00 0.00 177.00 176.54 1nia s PRO 274 N -3.14 3.05 -0.00 0.56 0.04 -1.26 -4.95 135.00 129.30 1nia s PRO 274 Ca 0.68 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 1nia s PRO 274 Cb -0.20 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1nia s PRO 274 CO 0.23 -1.01 0.62 -0.51 0.04 0.00 0.00 177.00 176.38 1nia s ASP 275 N -3.51 7.00 0.28 6.66 1.01 0.95 -4.77 116.67 124.29 1nia s ASP 275 Ca 0.60 1.20 -0.03 0.00 0.71 0.00 0.00 52.55 55.02 1nia s ASP 275 Cb -0.14 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1nia s ASP 275 CO 0.50 0.08 0.52 -0.76 0.21 0.00 0.00 175.17 175.72 1nia s LEU 276 N -0.10 4.08 -1.61 1.23 1.43 -1.26 -0.43 118.68 122.02 1nia s LEU 276 Ca 0.32 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1nia s LEU 276 Cb -0.18 -3.44 0.10 0.00 0.03 0.00 0.00 46.19 42.70 1nia s LEU 276 CO 0.18 -0.18 0.67 0.47 0.23 0.00 0.00 176.35 177.71 1nia n ASP 277 N -1.00 -2.39 -4.77 2.29 8.00 -0.66 -4.94 116.55 113.08 1nia n ASP 277 Ca -0.03 -1.01 -0.39 0.00 0.71 0.00 0.00 54.79 54.08 1nia n ASP 277 Cb 0.54 -2.87 -0.04 0.00 -0.02 0.00 0.00 41.12 38.73 1nia n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nia s GLN 278 N -6.82 4.43 -0.20 -1.24 -1.52 0.14 -4.80 119.66 109.65 1nia s GLN 278 Ca 0.50 1.66 -0.08 0.00 -1.95 0.00 0.00 55.36 55.49 1nia s GLN 278 Cb -0.27 -2.90 -0.20 0.00 -0.22 0.00 0.00 33.01 29.41 1nia s GLN 278 CO 0.91 0.06 0.05 -0.85 -0.25 0.00 0.00 175.29 175.22 1nia n GLU 279 N 0.64 0.67 -3.80 2.91 0.28 -1.26 -0.55 120.64 119.52 1nia n GLU 279 Ca 0.02 0.28 -0.13 0.00 -0.16 0.00 0.00 57.16 57.18 1nia n GLU 279 Cb 0.47 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.60 1nia n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1nia s THR 280 N -2.51 0.02 0.08 3.84 2.01 -1.26 -4.31 115.64 113.51 1nia s THR 280 Ca -0.30 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1nia s THR 280 Cb 0.08 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1nia s THR 280 CO 0.65 -0.08 -0.09 -1.66 -0.69 0.00 0.00 174.62 172.74 1nia s TRP 281 N -0.25 0.91 -0.20 4.92 -2.14 -1.15 -5.03 118.94 116.01 1nia s TRP 281 Ca -0.04 -0.67 -0.08 0.00 2.66 0.00 0.00 56.10 57.97 1nia s TRP 281 Cb -0.03 -0.52 -0.04 0.00 -3.10 0.00 0.00 33.47 29.78 1nia s TRP 281 CO 0.01 -0.06 0.08 -1.17 -2.66 0.00 0.00 176.95 173.15 1nia s LEU 282 N -2.33 3.88 -0.33 -4.66 1.98 -1.26 -3.08 118.68 112.88 1nia s LEU 282 Ca 0.02 0.08 -0.03 0.00 -2.89 0.00 0.00 54.13 51.32 1nia s LEU 282 Cb -0.03 -2.00 0.06 0.00 0.66 0.00 0.00 46.19 44.88 1nia s LEU 282 CO -0.01 0.15 0.07 -0.63 -1.89 0.00 0.00 176.35 174.03 1nia s ILE 283 N 0.55 3.23 0.63 6.68 1.01 -0.20 -4.65 121.20 128.44 1nia s ILE 283 Ca 0.04 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 1nia s ILE 283 Cb -0.13 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1nia s ILE 283 CO 0.01 -0.25 1.21 -2.84 0.00 0.00 0.00 174.94 173.06 1nia s PRO 284 N 1.26 2.75 0.28 2.79 0.02 -1.26 -1.68 135.00 139.16 1nia s PRO 284 Ca -0.01 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 1nia s PRO 284 Cb -0.20 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.30 1nia s PRO 284 CO -0.01 -1.37 1.56 0.20 -0.33 0.00 0.00 177.00 177.05 1nia s GLY 285 N -1.75 2.15 0.00 0.52 0.00 -1.24 -1.96 107.32 105.04 1nia s GLY 285 Ca 0.76 1.52 0.00 0.00 0.00 0.00 0.00 44.72 47.00 1nia s GLY 285 CO 0.37 2.49 0.00 0.61 0.00 0.00 0.00 173.10 176.57 1nia n GLY 286 N 2.19 0.73 3.18 0.20 0.00 0.17 -4.75 105.19 106.90 1nia n GLY 286 Ca 0.08 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1nia n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nia s THR 287 N -2.00 0.59 -0.02 2.61 2.01 -0.83 -4.78 115.64 113.22 1nia s THR 287 Ca 0.00 -1.93 0.04 0.00 0.31 0.00 0.00 61.69 60.11 1nia s THR 287 Cb 0.00 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1nia s THR 287 CO 0.00 -0.75 -0.14 0.00 -0.69 0.00 0.00 174.62 173.04 1nia s ALA 288 N -3.70 1.23 0.40 7.40 0.00 -1.26 -1.96 121.76 123.87 1nia s ALA 288 Ca 0.15 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1nia s ALA 288 Cb 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1nia s ALA 288 CO -0.03 0.26 0.06 0.20 0.00 0.00 0.00 175.76 176.25 1nia s GLY 289 N -0.13 2.48 -0.07 0.00 0.00 0.13 -3.01 107.32 106.72 1nia s GLY 289 Ca 0.01 -1.55 -0.05 0.00 0.00 0.00 0.00 44.72 43.13 1nia s GLY 289 CO 0.00 -1.94 0.19 0.00 0.00 0.00 0.00 173.10 171.35 1nia s ALA 290 N -3.10 -0.43 -0.03 3.20 0.00 -0.88 -1.13 121.76 119.39 1nia s ALA 290 Ca 0.27 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1nia s ALA 290 Cb 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1nia s ALA 290 CO 0.13 -0.12 -0.20 0.00 0.00 0.00 0.00 175.76 175.57 1nia s ALA 291 N 0.55 1.70 -0.15 0.00 0.00 -0.77 -0.45 121.76 122.64 1nia s ALA 291 Ca -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1nia s ALA 291 Cb -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1nia s ALA 291 CO -0.03 0.36 -0.07 0.12 0.00 0.00 0.00 175.76 176.14 1nia s PHE 292 N -0.20 2.96 -0.06 0.00 2.19 0.66 -0.76 117.98 122.76 1nia s PHE 292 Ca 0.01 -0.39 -0.08 0.00 0.33 0.00 0.00 56.93 56.79 1nia s PHE 292 Cb -0.10 -1.92 0.02 0.00 -1.31 0.00 0.00 43.02 39.71 1nia s PHE 292 CO 0.01 -0.08 0.22 -0.47 1.83 0.00 0.00 175.22 176.73 1nia s TYR 293 N 0.32 -0.18 -0.24 10.12 5.04 -0.18 -1.61 117.35 130.61 1nia s TYR 293 Ca -0.06 0.43 -0.05 0.00 -2.44 0.00 0.00 57.07 54.95 1nia s TYR 293 Cb -0.15 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.22 1nia s TYR 293 CO 0.04 -0.18 -0.00 0.99 -1.34 0.00 0.00 175.55 175.05 1nia s THR 294 N -0.33 3.63 0.18 4.34 2.01 -1.26 0.10 115.64 124.31 1nia s THR 294 Ca -0.04 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1nia s THR 294 Cb -0.03 -2.71 -0.08 0.00 0.01 0.00 0.00 72.50 69.69 1nia s THR 294 CO 0.01 0.34 1.29 -0.36 -0.69 0.00 0.00 174.62 175.22 1nia s PHE 295 N 1.50 3.29 -0.06 4.92 0.08 -0.95 -4.89 117.98 121.87 1nia s PHE 295 Ca 0.05 1.23 0.03 0.00 0.12 0.00 0.00 56.93 58.37 1nia s PHE 295 Cb -0.15 -3.57 -0.05 0.00 -0.57 0.00 0.00 43.02 38.68 1nia s PHE 295 CO -0.01 -1.79 0.10 0.54 -0.10 0.00 0.00 175.22 173.96 1nia n ARG 296 N 2.78 2.35 -4.32 0.44 1.74 -1.26 0.03 116.66 118.43 1nia n ARG 296 Ca 0.06 -0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.94 1nia n ARG 296 Cb 0.43 -0.92 -0.14 0.00 -1.02 0.00 0.00 32.46 30.82 1nia n ARG 296 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nia s GLN 297 N -1.88 0.79 0.86 5.56 -1.52 -1.26 -4.72 119.66 117.49 1nia s GLN 297 Ca -0.00 -0.58 -0.11 0.00 -1.95 0.00 0.00 55.36 52.71 1nia s GLN 297 Cb 0.02 -0.75 0.15 0.00 -0.22 0.00 0.00 33.01 32.21 1nia s GLN 297 CO 0.14 0.19 1.20 -1.25 -0.25 0.00 0.00 175.29 175.32 1nia s PRO 298 N -0.83 1.28 0.00 2.91 0.04 -1.26 -4.82 135.00 132.32 1nia s PRO 298 Ca 0.01 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1nia s PRO 298 Cb -0.06 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1nia s PRO 298 CO 0.00 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1nia n GLY 299 N -3.41 -0.32 3.80 0.56 0.00 0.75 -4.92 105.19 101.64 1nia n GLY 299 Ca 0.13 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1nia n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nia s VAL 300 N -0.08 5.21 0.10 1.61 1.01 -1.26 -0.57 120.40 126.41 1nia s VAL 300 Ca 0.00 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.71 1nia s VAL 300 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1nia s VAL 300 CO 0.00 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 1nia s TYR 301 N -0.45 1.82 -0.17 5.22 1.51 -0.03 -4.98 117.35 120.27 1nia s TYR 301 Ca 0.20 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1nia s TYR 301 Cb -0.15 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1nia s TYR 301 CO 0.09 0.20 -0.07 0.00 -1.11 0.00 0.00 175.55 174.65 1nia s ALA 302 N -1.10 2.82 -0.28 3.71 0.00 -1.24 -1.12 121.76 124.55 1nia s ALA 302 Ca 0.07 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1nia s ALA 302 Cb -0.10 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1nia s ALA 302 CO 0.04 0.04 0.17 -0.47 0.00 0.00 0.00 175.76 175.55 1nia s TYR 303 N 0.67 3.20 0.22 0.00 5.04 -0.01 -0.62 117.35 125.85 1nia s TYR 303 Ca -0.04 0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.64 1nia s TYR 303 Cb -0.15 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 1nia s TYR 303 CO 0.02 -0.18 0.17 0.14 -1.34 0.00 0.00 175.55 174.36 1nia s VAL 304 N 1.73 0.00 -0.33 3.14 -7.23 -0.01 -0.47 120.40 117.23 1nia s VAL 304 Ca 0.07 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 1nia s VAL 304 Cb -0.16 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 1nia s VAL 304 CO 0.10 0.00 0.58 0.21 -0.31 0.00 0.00 175.10 175.68 1nia s ASN 305 N -3.18 6.41 0.00 4.85 3.84 -1.03 -0.63 114.94 125.21 1nia s ASN 305 Ca 0.38 0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.68 1nia s ASN 305 Cb 0.06 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.46 1nia s ASN 305 CO 0.14 -0.48 0.33 1.57 -2.79 0.00 0.00 177.10 175.87 1nia n HIS 306 N 5.83 0.00 -3.11 0.43 -0.00 0.64 -4.01 115.22 115.00 1nia n HIS 306 Ca -0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.25 1nia n HIS 306 Cb 0.49 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.99 30.42 1nia n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1nia s ASN 307 N -1.16 6.27 0.52 0.26 3.04 -1.26 -4.91 114.94 117.69 1nia s ASN 307 Ca 0.00 -1.59 0.26 0.00 0.04 0.00 0.00 52.86 51.57 1nia s ASN 307 Cb 0.00 -2.30 1.37 0.00 -1.54 0.00 0.00 41.25 38.77 1nia s ASN 307 CO 0.00 -1.07 1.95 -0.07 -3.04 0.00 0.00 177.10 174.87 1nia h LEU 308 N 9.84 0.06 -0.23 3.21 3.38 -1.99 -0.33 115.31 129.25 1nia h LEU 308 Ca -0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nia h LEU 308 Cb 1.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1nia h LEU 308 CO 1.07 0.03 0.05 0.40 0.09 0.00 0.00 178.44 180.08 1nia h ILE 309 N 0.07 1.21 -0.35 1.22 2.04 -1.91 0.25 117.51 120.04 1nia h ILE 309 Ca 0.32 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1nia h ILE 309 Cb 1.19 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1nia h ILE 309 CO -0.02 0.22 -0.04 -0.33 0.00 0.00 0.00 178.15 177.98 1nia h GLU 310 N 0.19 0.56 0.08 2.37 5.08 -1.48 0.16 114.58 121.53 1nia h GLU 310 Ca 0.07 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1nia h GLU 310 Cb 0.29 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nia h GLU 310 CO 0.00 0.61 -0.04 0.00 -1.00 0.00 0.00 179.01 178.59 1nia h ALA 311 N 1.44 -0.11 0.00 3.43 0.00 -0.85 -2.16 119.26 121.01 1nia h ALA 311 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nia h ALA 311 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nia h ALA 311 CO 0.02 -0.14 -1.02 1.19 0.00 0.00 0.00 179.25 179.30 1nia n PHE 312 N -4.80 0.85 -0.13 0.00 3.72 0.85 -2.80 117.46 115.15 1nia n PHE 312 Ca -0.06 0.25 -0.22 0.00 -0.05 0.00 0.00 57.45 57.36 1nia n PHE 312 Cb 0.26 -0.88 -0.11 0.00 -0.94 0.00 0.00 39.48 37.81 1nia n PHE 312 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nia n GLU 313 N -2.56 0.62 0.07 -1.08 -0.58 0.49 -4.65 120.64 112.94 1nia n GLU 313 Ca 0.00 0.19 0.12 0.00 -0.42 0.00 0.00 57.16 57.05 1nia n GLU 313 Cb 0.53 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.98 1nia n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nia n LEU 314 N -3.61 0.71 0.00 -4.62 4.32 -0.84 -5.01 117.00 107.96 1nia n LEU 314 Ca -0.48 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 1nia n LEU 314 Cb 0.94 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 1nia n LEU 314 CO 0.17 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1nia n GLY 315 N 1.29 1.37 2.85 -0.72 0.00 -1.00 -2.04 105.19 106.95 1nia n GLY 315 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1nia n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia n ALA 316 N -0.11 5.08 -3.27 4.61 0.00 0.11 -4.23 120.51 122.70 1nia n ALA 316 Ca 0.00 -3.80 -0.13 0.00 0.00 0.00 0.00 53.44 49.51 1nia n ALA 316 Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 19.45 15.79 1nia n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nia s ALA 317 N 3.59 -0.89 0.30 0.00 0.00 -1.25 -2.46 121.76 121.05 1nia s ALA 317 Ca 0.49 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.52 1nia s ALA 317 Cb 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1nia s ALA 317 CO -0.05 -0.17 0.26 0.20 0.00 0.00 0.00 175.76 176.00 1nia s GLY 318 N 0.24 2.05 0.18 0.00 0.00 0.38 -4.52 107.32 105.65 1nia s GLY 318 Ca -0.00 -1.94 0.08 0.00 0.00 0.00 0.00 44.72 42.85 1nia s GLY 318 CO -0.00 -1.41 -0.16 0.30 0.00 0.00 0.00 173.10 171.83 1nia s HIS 319 N -3.59 1.70 -0.07 1.90 3.76 0.50 -0.83 115.29 118.65 1nia s HIS 319 Ca 0.39 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1nia s HIS 319 Cb 0.03 -0.82 0.02 0.00 1.11 0.00 0.00 32.58 32.92 1nia s HIS 319 CO 0.23 0.31 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.32 1nia s PHE 320 N -2.52 1.06 -0.27 1.40 0.08 -0.28 -0.42 117.98 117.03 1nia s PHE 320 Ca 0.18 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 1nia s PHE 320 Cb -0.03 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1nia s PHE 320 CO 0.06 -0.32 0.03 0.15 -0.10 0.00 0.00 175.22 175.04 1nia s LYS 321 N 1.31 3.15 -0.11 0.44 1.02 0.16 -0.85 119.74 124.85 1nia s LYS 321 Ca -0.04 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1nia s LYS 321 Cb -0.14 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 1nia s LYS 321 CO -0.03 -0.37 -0.14 0.08 -0.92 0.00 0.00 175.35 173.98 1nia s VAL 322 N 1.47 3.01 0.31 3.17 1.01 0.26 -2.41 120.40 127.22 1nia s VAL 322 Ca 0.03 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1nia s VAL 322 Cb -0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1nia s VAL 322 CO 0.00 0.54 0.47 0.42 0.00 0.00 0.00 175.10 176.53 1nia s THR 323 N 0.11 4.93 -3.98 3.92 -4.23 -0.61 -0.18 115.64 115.59 1nia s THR 323 Ca -0.06 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1nia s THR 323 Cb -0.15 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1nia s THR 323 CO 0.05 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1nia n GLY 324 N -1.64 0.96 3.85 3.99 0.00 -1.26 -0.64 105.19 110.45 1nia n GLY 324 Ca -0.05 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1nia n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nia s GLU 325 N -1.14 3.89 0.35 1.61 2.12 -1.26 -4.68 118.70 119.58 1nia s GLU 325 Ca 0.00 0.36 -0.27 0.00 0.36 0.00 0.00 54.97 55.42 1nia s GLU 325 Cb 0.00 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.20 1nia s GLU 325 CO 0.00 0.61 1.18 -0.46 -0.54 0.00 0.00 175.26 176.05 1nia s TRP 326 N -1.25 3.21 -0.34 5.30 -0.11 -1.26 -4.40 118.94 120.07 1nia s TRP 326 Ca 0.29 1.56 -0.03 0.00 1.22 0.00 0.00 56.10 59.14 1nia s TRP 326 Cb -0.16 -3.43 0.07 0.00 -1.50 0.00 0.00 33.47 28.45 1nia s TRP 326 CO 0.16 -1.23 0.09 1.21 -4.62 0.00 0.00 176.95 172.56 1nia s ASN 327 N -0.91 5.11 0.48 5.86 3.84 -1.26 -4.97 114.94 123.09 1nia s ASN 327 Ca 0.52 -1.49 0.27 0.00 0.21 0.00 0.00 52.86 52.37 1nia s ASN 327 Cb -0.33 -1.79 1.11 0.00 -0.55 0.00 0.00 41.25 39.69 1nia s ASN 327 CO 0.43 -0.37 1.90 0.44 -2.79 0.00 0.00 177.10 176.71 1nia h ASP 328 N 8.07 0.00 -0.41 -4.21 3.32 -1.96 -2.76 116.42 118.46 1nia h ASP 328 Ca -0.19 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 1nia h ASP 328 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1nia h ASP 328 CO 0.60 0.14 -0.19 -0.78 -1.72 0.00 0.00 179.24 177.30 1nia h ASP 329 N 0.00 0.91 0.51 6.45 3.58 -2.02 -3.15 116.42 122.71 1nia h ASP 329 Ca -0.00 -0.32 -0.20 0.00 0.42 0.00 0.00 57.03 56.93 1nia h ASP 329 Cb 0.64 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1nia h ASP 329 CO 0.02 1.08 -0.86 -0.07 -2.88 0.00 0.00 179.24 176.53 1nia h LEU 330 N 0.79 0.31 -7.00 2.28 4.07 -1.95 -3.46 115.31 110.35 1nia h LEU 330 Ca 0.11 -0.24 0.08 0.00 0.08 0.00 0.00 57.88 57.91 1nia h LEU 330 Cb 0.73 -0.09 -0.27 0.00 1.08 0.00 0.00 40.66 42.11 1nia h LEU 330 CO 0.06 1.03 0.49 -0.32 -1.08 0.00 0.00 178.44 178.62 1nia s MET 331 N -3.28 0.45 0.00 1.13 1.75 -1.06 -5.14 119.30 113.15 1nia s MET 331 Ca -0.04 0.55 -0.22 0.00 -1.25 0.00 0.00 55.69 54.74 1nia s MET 331 Cb 0.10 0.20 0.05 0.00 2.84 0.00 0.00 34.83 38.02 1nia s MET 331 CO 0.83 -0.06 0.48 -0.08 -0.65 0.00 0.00 175.02 175.54 1nia s THR 332 N 0.34 0.04 -0.57 10.11 -1.32 -1.26 -4.07 115.64 118.91 1nia s THR 332 Ca 0.02 -0.29 -0.20 0.00 -1.21 0.00 0.00 61.69 60.01 1nia s THR 332 Cb -0.05 -0.88 0.07 0.00 -1.51 0.00 0.00 72.50 70.14 1nia s THR 332 CO -0.08 -0.16 0.75 -0.55 -2.21 0.00 0.00 174.62 172.37 1nia s SER 333 N -1.61 6.21 0.17 8.08 0.15 -1.26 -4.91 113.70 120.54 1nia s SER 333 Ca -0.09 -1.06 -0.12 0.00 0.70 0.00 0.00 55.95 55.38 1nia s SER 333 Cb -0.02 -2.33 0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1nia s SER 333 CO 0.03 -1.11 1.73 0.58 1.20 0.00 0.00 173.24 175.67 1nia h VAL 334 N 5.92 1.22 -3.07 4.45 2.07 -2.02 -3.40 116.25 121.43 1nia h VAL 334 Ca -0.28 -0.69 -0.49 0.00 0.82 0.00 0.00 66.70 66.06 1nia h VAL 334 Cb 1.09 0.58 -0.41 0.00 -1.52 0.00 0.00 31.29 31.03 1nia h VAL 334 CO 1.07 0.27 -0.76 -0.69 0.02 0.00 0.00 177.57 177.48 1nia s VAL 335 N -5.58 0.09 0.58 2.57 1.01 -1.26 -5.13 120.40 112.68 1nia s VAL 335 Ca -0.13 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1nia s VAL 335 Cb 0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1nia s VAL 335 CO 0.79 -0.34 1.33 -0.54 0.00 0.00 0.00 175.10 176.34 1nia s LYS 336 N 2.05 2.96 -0.05 2.72 1.02 -1.26 -4.83 119.74 122.35 1nia s LYS 336 Ca 0.03 2.17 -0.39 0.00 0.02 0.00 0.00 55.97 57.80 1nia s LYS 336 Cb -0.16 -2.12 -0.17 0.00 -0.52 0.00 0.00 37.83 34.85 1nia s LYS 336 CO -0.13 -1.31 1.42 -2.30 -0.92 0.00 0.00 175.35 172.11 1nia n PRO 337 N -1.30 0.94 -3.78 -1.68 -0.02 -1.26 -4.95 135.00 122.94 1nia n PRO 337 Ca 0.12 0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1nia n PRO 337 Cb 0.46 -1.97 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 1nia n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nia s ALA 338 N 1.31 -0.63 0.16 3.55 0.00 -1.26 -5.13 121.76 119.76 1nia s ALA 338 Ca 0.90 0.03 -0.32 0.00 0.00 0.00 0.00 51.96 52.57 1nia s ALA 338 Cb -1.05 0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.20 1nia s ALA 338 CO 0.55 -0.35 1.62 -1.12 0.00 0.00 0.00 175.76 176.45 1nia s SER 339 N -1.84 6.54 0.00 0.00 0.01 -1.26 -5.26 113.70 111.88 1nia s SER 339 Ca -0.08 2.66 0.00 0.00 1.31 0.00 0.00 55.95 59.85 1nia s SER 339 Cb -0.02 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1nia s SER 339 CO -0.01 -0.87 0.27 0.23 0.41 0.00 0.00 173.24 173.27