#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjm h ALA 6 N 0.00 1.02 -0.42 6.98 0.00 -2.05 -1.47 119.26 123.32 1sjm h ALA 6 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1sjm h ALA 6 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1sjm h ALA 6 CO 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.20 1sjm h ALA 7 N 1.39 0.96 -0.57 0.00 0.00 -2.05 -1.79 119.26 117.21 1sjm h ALA 7 Ca 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sjm h ALA 7 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1sjm h ALA 7 CO -0.20 0.61 0.28 0.93 0.00 0.00 0.00 179.25 180.86 1sjm h GLU 8 N 0.69 0.81 -0.43 0.00 5.08 -1.78 -1.16 114.58 117.80 1sjm h GLU 8 Ca 0.11 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1sjm h GLU 8 Cb 0.63 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1sjm h GLU 8 CO 0.04 0.66 0.05 0.82 -1.00 0.00 0.00 179.01 179.58 1sjm h ILE 9 N 0.77 1.25 0.00 3.13 2.04 -1.12 -2.74 117.51 120.83 1sjm h ILE 9 Ca 0.20 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1sjm h ILE 9 Cb 0.11 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1sjm h ILE 9 CO -0.03 0.32 -0.17 0.00 0.00 0.00 0.00 178.15 178.28 1sjm h ALA 10 N 0.92 1.42 0.00 1.87 0.00 -1.14 -2.80 119.26 119.54 1sjm h ALA 10 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sjm h ALA 10 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sjm h ALA 10 CO 0.01 0.21 -0.20 0.00 0.00 0.00 0.00 179.25 179.28 1sjm n ALA 11 N -2.37 2.73 -1.76 0.00 0.00 -0.46 -4.89 120.51 113.75 1sjm n ALA 11 Ca -0.02 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.85 1sjm n ALA 11 Cb 0.26 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.39 1sjm n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sjm s LEU 12 N -3.26 4.04 0.50 0.00 1.43 -1.06 -4.95 118.68 115.38 1sjm s LEU 12 Ca 0.12 2.81 -0.23 0.00 -1.03 0.00 0.00 54.13 55.81 1sjm s LEU 12 Cb 0.17 -4.06 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 1sjm s LEU 12 CO 0.60 -1.25 1.29 -2.84 0.23 0.00 0.00 176.35 174.38 1sjm s PRO 13 N -2.58 3.43 -0.14 1.29 0.02 -1.26 -4.77 135.00 130.99 1sjm s PRO 13 Ca 0.64 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.70 1sjm s PRO 13 Cb -0.41 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 1sjm s PRO 13 CO 0.52 -0.91 0.00 1.03 -0.33 0.00 0.00 177.00 177.31 1sjm s ARG 14 N -2.77 3.50 -0.07 5.54 3.00 -1.26 -1.08 118.95 125.81 1sjm s ARG 14 Ca 0.67 -0.43 -0.01 0.00 0.00 0.00 0.00 55.73 55.97 1sjm s ARG 14 Cb -0.36 -2.95 0.03 0.00 0.00 0.00 0.00 34.95 31.66 1sjm s ARG 14 CO 0.44 0.42 -0.02 -1.14 0.00 0.00 0.00 175.30 175.00 1sjm s GLN 15 N -0.11 0.79 0.14 3.54 0.74 -0.33 -4.97 119.66 119.46 1sjm s GLN 15 Ca 0.04 0.02 -0.27 0.00 0.05 0.00 0.00 55.36 55.20 1sjm s GLN 15 Cb -0.13 -1.05 -0.07 0.00 1.10 0.00 0.00 33.01 32.87 1sjm s GLN 15 CO 0.02 -0.26 0.82 0.15 -0.55 0.00 0.00 175.29 175.47 1sjm s LYS 16 N 1.76 4.61 -0.05 1.67 1.02 -1.26 -0.32 119.74 127.17 1sjm s LYS 16 Ca 0.02 1.22 0.04 0.00 0.02 0.00 0.00 55.97 57.28 1sjm s LYS 16 Cb -0.13 -3.31 -0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1sjm s LYS 16 CO -0.05 0.44 -0.19 0.08 -0.92 0.00 0.00 175.35 174.71 1sjm s VAL 17 N -0.71 1.57 -0.15 3.17 1.01 -0.58 -4.92 120.40 119.80 1sjm s VAL 17 Ca 0.39 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 1sjm s VAL 17 Cb -0.23 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1sjm s VAL 17 CO 0.27 0.45 0.80 -1.61 0.00 0.00 0.00 175.10 175.00 1sjm s GLU 18 N 0.06 4.32 0.60 2.72 2.02 -1.26 -4.68 118.70 122.47 1sjm s GLU 18 Ca -0.05 0.97 -0.14 0.00 0.02 0.00 0.00 54.97 55.76 1sjm s GLU 18 Cb -0.13 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 1sjm s GLU 18 CO 0.03 -0.25 1.03 -0.51 0.02 0.00 0.00 175.26 175.59 1sjm s LEU 19 N 1.88 3.40 0.14 1.80 1.43 -1.26 -4.67 118.68 121.39 1sjm s LEU 19 Ca 0.38 1.63 0.07 0.00 -1.03 0.00 0.00 54.13 55.18 1sjm s LEU 19 Cb -0.17 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1sjm s LEU 19 CO 0.14 -1.03 -0.15 0.68 0.23 0.00 0.00 176.35 176.22 1sjm s VAL 20 N -2.77 1.48 0.28 -1.59 -7.23 -1.26 -4.97 120.40 104.33 1sjm s VAL 20 Ca 0.59 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 1sjm s VAL 20 Cb -0.13 -1.67 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 1sjm s VAL 20 CO 0.43 -0.42 1.00 -1.81 -0.31 0.00 0.00 175.10 173.98 1sjm s ASP 21 N -2.61 7.41 0.66 4.85 1.01 -1.26 -4.58 116.67 122.15 1sjm s ASP 21 Ca 0.12 2.04 -0.17 0.00 0.71 0.00 0.00 52.55 55.25 1sjm s ASP 21 Cb -0.04 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 1sjm s ASP 21 CO 0.04 -0.02 1.13 -2.65 0.21 0.00 0.00 175.17 173.88 1sjm n PRO 22 N 1.13 0.89 -0.08 8.23 -0.02 -1.26 -2.00 135.00 141.88 1sjm n PRO 22 Ca -0.01 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1sjm n PRO 22 Cb 0.47 -2.36 0.32 0.00 -0.02 0.00 0.00 33.50 31.91 1sjm n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sjm n PRO 23 N -1.71 1.55 -1.76 0.52 -0.04 -1.26 -5.04 135.00 127.26 1sjm n PRO 23 Ca 0.15 -0.83 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 1sjm n PRO 23 Cb 0.48 -1.31 0.07 0.00 -0.04 0.00 0.00 33.50 32.70 1sjm n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sjm s PHE 24 N -1.79 3.12 -0.01 0.54 0.40 -0.85 -0.82 117.98 118.57 1sjm s PHE 24 Ca 0.26 1.07 0.02 0.00 -0.60 0.00 0.00 56.93 57.69 1sjm s PHE 24 Cb 0.14 -3.11 -0.01 0.00 0.51 0.00 0.00 43.02 40.55 1sjm s PHE 24 CO 0.21 -1.44 -0.08 0.08 0.70 0.00 0.00 175.22 174.69 1sjm s VAL 25 N -3.29 0.62 1.04 -0.44 1.01 -1.26 -4.58 120.40 113.50 1sjm s VAL 25 Ca 0.59 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1sjm s VAL 25 Cb -0.12 -0.52 0.21 0.00 0.00 0.00 0.00 36.38 35.95 1sjm s VAL 25 CO 0.53 0.18 1.07 -1.38 0.00 0.00 0.00 175.10 175.49 1sjm s HIS 26 N -0.18 1.83 0.14 5.22 -3.43 -1.26 -4.91 115.29 112.70 1sjm s HIS 26 Ca 0.03 1.16 -0.34 0.00 -0.80 0.00 0.00 55.06 55.11 1sjm s HIS 26 Cb -0.03 -3.19 -0.13 0.00 -1.43 0.00 0.00 32.58 27.80 1sjm s HIS 26 CO -0.00 -3.16 1.63 0.00 -2.00 0.00 0.00 174.74 171.20 1sjm n ALA 27 N -4.40 1.49 -3.61 -1.38 0.00 -1.26 -4.99 120.51 106.35 1sjm n ALA 27 Ca 0.05 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 1sjm n ALA 27 Cb 0.55 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 1sjm n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1sjm s HIS 28 N 1.28 -0.29 -0.07 0.00 -3.43 -1.26 -5.03 115.29 106.49 1sjm s HIS 28 Ca 0.80 -0.06 0.01 0.00 -0.80 0.00 0.00 55.06 55.00 1sjm s HIS 28 Cb -0.66 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.06 1sjm s HIS 28 CO 0.39 -1.05 -0.07 -1.54 -2.00 0.00 0.00 174.74 170.47 1sjm s SER 29 N -2.86 4.66 0.00 7.38 1.04 -1.26 -5.04 113.70 117.62 1sjm s SER 29 Ca 0.07 -0.02 -0.25 0.00 0.48 0.00 0.00 55.95 56.24 1sjm s SER 29 Cb -0.03 -1.17 -0.18 0.00 0.10 0.00 0.00 66.02 64.73 1sjm s SER 29 CO -0.01 0.36 1.32 1.56 0.98 0.00 0.00 173.24 177.45 1sjm h GLN 30 N 5.23 -0.10 -6.52 4.02 4.20 -1.97 -3.41 115.11 116.56 1sjm h GLN 30 Ca -0.49 0.01 -0.52 0.00 0.06 0.00 0.00 58.65 57.71 1sjm h GLN 30 Cb 1.17 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1sjm h GLN 30 CO 0.52 0.27 0.30 0.08 -0.67 0.00 0.00 178.83 179.33 1sjm s VAL 31 N -4.63 4.49 0.44 -0.54 1.01 -1.26 -3.43 120.40 116.48 1sjm s VAL 31 Ca -0.15 1.94 -0.25 0.00 0.00 0.00 0.00 61.98 63.52 1sjm s VAL 31 Cb 0.02 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1sjm s VAL 31 CO 0.63 0.37 1.36 0.00 0.00 0.00 0.00 175.10 177.46 1sjm n ALA 32 N 2.54 1.69 -2.85 5.51 0.00 0.29 -4.95 120.51 122.74 1sjm n ALA 32 Ca 0.00 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 1sjm n ALA 32 Cb 0.49 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.50 1sjm n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sjm s GLU 33 N -2.33 2.81 1.01 0.00 2.02 -1.26 -4.99 118.70 115.96 1sjm s GLU 33 Ca 0.61 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1sjm s GLU 33 Cb -0.48 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 29.95 1sjm s GLU 33 CO 0.58 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 175.49 1sjm n GLY 34 N 5.02 -2.08 2.62 -1.39 0.00 -1.26 -4.95 105.19 103.14 1sjm n GLY 34 Ca -0.11 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 1sjm n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 35 N 0.00 -0.85 3.65 -0.02 0.00 -1.26 -4.99 105.19 101.71 1sjm n GLY 35 Ca 0.00 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1sjm n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sjm n PRO 36 N -2.74 1.57 -4.20 1.61 -0.02 -1.26 -5.01 135.00 124.96 1sjm n PRO 36 Ca 0.11 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1sjm n PRO 36 Cb 0.39 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 1sjm n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1sjm s LYS 37 N -2.10 0.92 -0.44 -0.52 1.02 -1.26 -4.40 119.74 112.96 1sjm s LYS 37 Ca 0.62 -1.35 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 1sjm s LYS 37 Cb -0.54 -0.42 0.03 0.00 -0.52 0.00 0.00 37.83 36.38 1sjm s LYS 37 CO 0.57 0.04 0.52 0.08 -0.92 0.00 0.00 175.35 175.64 1sjm s VAL 38 N -3.29 4.99 -0.28 3.17 1.01 -0.24 -0.95 120.40 124.82 1sjm s VAL 38 Ca 0.12 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1sjm s VAL 38 Cb 0.03 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1sjm s VAL 38 CO -0.02 -0.55 0.38 -0.69 0.00 0.00 0.00 175.10 174.23 1sjm s VAL 39 N 2.37 5.16 -0.20 2.92 1.01 0.26 -1.19 120.40 130.73 1sjm s VAL 39 Ca 0.15 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 1sjm s VAL 39 Cb -0.17 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1sjm s VAL 39 CO 0.14 0.13 0.10 -1.61 0.00 0.00 0.00 175.10 173.86 1sjm s GLU 40 N 2.09 4.07 0.12 2.72 2.02 0.57 -0.88 118.70 129.40 1sjm s GLU 40 Ca 0.15 -0.29 0.07 0.00 0.02 0.00 0.00 54.97 54.92 1sjm s GLU 40 Cb -0.16 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1sjm s GLU 40 CO 0.10 0.25 -0.17 -0.06 0.02 0.00 0.00 175.26 175.40 1sjm s PHE 41 N 0.47 1.58 -0.04 1.61 0.40 -0.60 -1.52 117.98 119.88 1sjm s PHE 41 Ca 0.06 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1sjm s PHE 41 Cb -0.12 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.58 1sjm s PHE 41 CO -0.00 0.19 -0.13 0.99 0.70 0.00 0.00 175.22 176.97 1sjm s THR 42 N -1.75 1.13 -0.02 0.64 2.01 -1.26 -0.83 115.64 115.57 1sjm s THR 42 Ca 0.08 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1sjm s THR 42 Cb -0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1sjm s THR 42 CO 0.04 0.34 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.20 1sjm s MET 43 N 0.29 0.79 -0.17 4.92 -1.94 -0.34 -4.92 119.30 117.92 1sjm s MET 43 Ca -0.07 -0.24 -0.09 0.00 -1.71 0.00 0.00 55.69 53.58 1sjm s MET 43 Cb -0.12 -0.76 -0.05 0.00 2.01 0.00 0.00 34.83 35.92 1sjm s MET 43 CO 0.02 0.09 0.13 0.08 -0.01 0.00 0.00 175.02 175.33 1sjm s VAL 44 N 0.21 5.42 -0.03 -6.03 1.01 -1.26 -1.43 120.40 118.27 1sjm s VAL 44 Ca -0.03 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 1sjm s VAL 44 Cb -0.08 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1sjm s VAL 44 CO 0.00 0.50 0.78 -0.63 0.00 0.00 0.00 175.10 175.74 1sjm s ILE 45 N -0.07 4.96 -0.16 2.22 1.01 -0.25 -0.33 121.20 128.58 1sjm s ILE 45 Ca 0.10 1.62 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1sjm s ILE 45 Cb -0.11 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1sjm s ILE 45 CO -0.00 0.25 -0.18 -1.61 0.00 0.00 0.00 174.94 173.39 1sjm s GLU 46 N 0.72 3.09 -0.28 2.79 2.02 -0.34 -4.42 118.70 122.28 1sjm s GLU 46 Ca 0.41 -0.80 -0.17 0.00 0.02 0.00 0.00 54.97 54.42 1sjm s GLU 46 Cb -0.19 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 1sjm s GLU 46 CO 0.21 -0.06 0.49 -1.21 0.02 0.00 0.00 175.26 174.71 1sjm s GLU 47 N 0.96 3.95 0.02 1.61 2.02 -1.26 -0.96 118.70 125.04 1sjm s GLU 47 Ca -0.03 0.15 -0.25 0.00 0.02 0.00 0.00 54.97 54.86 1sjm s GLU 47 Cb -0.15 -3.69 0.06 0.00 0.10 0.00 0.00 34.13 30.45 1sjm s GLU 47 CO -0.04 -0.41 0.57 -1.59 0.02 0.00 0.00 175.26 173.81 1sjm s LYS 48 N 2.29 1.04 0.08 1.61 -2.85 -0.75 -5.00 119.74 116.15 1sjm s LYS 48 Ca 0.19 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.79 1sjm s LYS 48 Cb -0.16 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.04 1sjm s LYS 48 CO 0.10 -0.36 1.14 0.15 0.10 0.00 0.00 175.35 176.48 1sjm s LYS 49 N -2.02 4.49 0.13 1.78 1.02 -1.26 -0.69 119.74 123.19 1sjm s LYS 49 Ca -0.07 1.70 0.09 0.00 0.02 0.00 0.00 55.97 57.70 1sjm s LYS 49 Cb -0.01 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1sjm s LYS 49 CO 0.02 -0.14 -0.22 0.96 -0.92 0.00 0.00 175.35 175.05 1sjm s ILE 50 N 0.75 1.91 -0.21 2.17 -4.36 -0.30 -4.92 121.20 116.24 1sjm s ILE 50 Ca 0.55 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.10 1sjm s ILE 50 Cb -0.28 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.61 1sjm s ILE 50 CO 0.30 -0.11 0.15 -0.69 0.24 0.00 0.00 174.94 174.83 1sjm s VAL 51 N -1.45 5.39 -0.85 8.37 1.01 -1.26 -1.10 120.40 130.51 1sjm s VAL 51 Ca 0.12 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.40 1sjm s VAL 51 Cb -0.09 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1sjm s VAL 51 CO 0.06 0.41 0.60 2.30 0.00 0.00 0.00 175.10 178.47 1sjm n ILE 52 N 3.73 0.00 -4.04 2.22 -5.35 -0.24 -4.87 119.36 110.81 1sjm n ILE 52 Ca -0.16 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 61.79 1sjm n ILE 52 Cb 0.52 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.50 1sjm n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1sjm n ASP 53 N -0.34 -1.48 0.00 7.28 3.85 -1.26 -0.96 116.55 123.64 1sjm n ASP 53 Ca 0.04 -2.91 0.13 0.00 -0.71 0.00 0.00 54.79 51.34 1sjm n ASP 53 Cb 0.20 2.73 0.75 0.00 -1.35 0.00 0.00 41.12 43.45 1sjm n ASP 53 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1sjm n ASP 54 N -1.60 0.00 -1.16 -1.12 5.68 -1.26 -3.23 116.55 113.86 1sjm n ASP 54 Ca -0.00 -0.57 0.09 0.00 -0.50 0.00 0.00 54.79 53.81 1sjm n ASP 54 Cb 0.60 -0.11 0.27 0.00 -1.14 0.00 0.00 41.12 40.75 1sjm n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sjm n ALA 55 N -1.11 2.47 -1.13 2.12 0.00 -1.26 -4.97 120.51 116.63 1sjm n ALA 55 Ca 0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 53.44 52.22 1sjm n ALA 55 Cb 0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1sjm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjm n GLY 56 N 1.11 0.71 3.73 0.00 0.00 -1.20 -4.99 105.19 104.55 1sjm n GLY 56 Ca 0.21 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1sjm n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjm s THR 57 N -2.09 2.52 -0.01 2.61 2.01 -1.26 -4.88 115.64 114.55 1sjm s THR 57 Ca 0.00 0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1sjm s THR 57 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1sjm s THR 57 CO 0.00 0.04 0.03 -1.61 -0.69 0.00 0.00 174.62 172.39 1sjm s GLU 58 N 0.51 2.90 -0.02 4.92 2.02 -1.26 -1.07 118.70 126.69 1sjm s GLU 58 Ca 0.66 -0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.16 1sjm s GLU 58 Cb -0.44 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 1sjm s GLU 58 CO 0.37 0.64 -0.20 0.08 0.02 0.00 0.00 175.26 176.16 1sjm s VAL 59 N -1.12 1.61 -0.95 2.63 1.01 -0.26 -4.97 120.40 118.36 1sjm s VAL 59 Ca 0.20 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 1sjm s VAL 59 Cb -0.12 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1sjm s VAL 59 CO 0.11 0.46 1.44 -1.00 0.00 0.00 0.00 175.10 176.10 1sjm s HIS 60 N -0.37 2.44 0.48 5.22 3.76 -1.26 -1.15 115.29 124.40 1sjm s HIS 60 Ca 0.05 -0.59 -0.21 0.00 -0.15 0.00 0.00 55.06 54.17 1sjm s HIS 60 Cb -0.09 -4.65 -0.08 0.00 1.11 0.00 0.00 32.58 28.87 1sjm s HIS 60 CO 0.00 -1.97 1.06 0.00 -0.85 0.00 0.00 174.74 172.98 1sjm s ALA 61 N 5.39 2.87 -0.30 -1.40 0.00 0.13 -4.87 121.76 123.58 1sjm s ALA 61 Ca 0.45 0.67 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1sjm s ALA 61 Cb -0.02 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 19.91 1sjm s ALA 61 CO -0.04 -0.39 0.03 -1.64 0.00 0.00 0.00 175.76 173.72 1sjm s MET 62 N -3.14 1.31 -0.22 0.00 -1.94 -0.61 -1.81 119.30 112.89 1sjm s MET 62 Ca 0.67 -1.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1sjm s MET 62 Cb -0.19 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 34.04 1sjm s MET 62 CO 0.22 -0.85 -0.10 0.00 -0.01 0.00 0.00 175.02 174.28 1sjm s ALA 63 N 1.26 2.13 0.11 3.03 0.00 -0.13 -2.33 121.76 125.83 1sjm s ALA 63 Ca 0.05 -1.34 -0.31 0.00 0.00 0.00 0.00 51.96 50.36 1sjm s ALA 63 Cb -0.18 -1.36 -0.10 0.00 0.00 0.00 0.00 23.12 21.47 1sjm s ALA 63 CO -0.13 -0.93 1.79 -0.06 0.00 0.00 0.00 175.76 176.43 1sjm s PHE 64 N 1.33 2.22 -1.51 0.00 0.08 -1.25 -1.20 117.98 117.65 1sjm s PHE 64 Ca -0.03 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1sjm s PHE 64 Cb -0.17 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.14 1sjm s PHE 64 CO -0.07 -4.64 0.00 -1.71 -0.10 0.00 0.00 175.22 168.69 1sjm n ASN 65 N 5.62 -5.32 0.00 1.36 5.15 0.54 -2.41 115.26 120.20 1sjm n ASN 65 Ca 0.17 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 1sjm n ASN 65 Cb 0.39 -4.07 0.00 0.00 -0.53 0.00 0.00 39.78 35.56 1sjm n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sjm n GLY 66 N -0.42 0.84 3.37 8.20 0.00 -0.88 -4.93 105.19 111.37 1sjm n GLY 66 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1sjm n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sjm s THR 67 N -3.33 2.03 -0.23 2.61 -4.23 -1.01 -4.96 115.64 106.51 1sjm s THR 67 Ca 0.00 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1sjm s THR 67 Cb 0.00 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.94 1sjm s THR 67 CO 0.00 -0.24 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.02 1sjm s VAL 68 N -1.91 2.07 0.98 2.29 1.01 -1.26 -2.91 120.40 120.67 1sjm s VAL 68 Ca 0.18 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1sjm s VAL 68 Cb -0.07 -2.11 0.17 0.00 0.00 0.00 0.00 36.38 34.38 1sjm s VAL 68 CO 0.08 0.13 1.11 -2.16 0.00 0.00 0.00 175.10 174.26 1sjm s PRO 69 N 1.18 0.61 0.97 2.72 0.04 -1.26 -2.50 135.00 136.77 1sjm s PRO 69 Ca -0.05 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1sjm s PRO 69 Cb -0.18 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1sjm s PRO 69 CO -0.07 -2.58 1.10 0.20 0.04 0.00 0.00 177.00 175.69 1sjm s GLY 70 N -3.70 1.63 0.67 0.56 0.00 0.12 -4.73 107.32 101.87 1sjm s GLY 70 Ca 0.65 0.24 -0.14 0.00 0.00 0.00 0.00 44.72 45.47 1sjm s GLY 70 CO 0.56 0.75 1.09 2.56 0.00 0.00 0.00 173.10 178.06 1sjm s PRO 71 N -4.67 2.84 -0.11 2.90 0.04 -1.26 -4.43 135.00 130.31 1sjm s PRO 71 Ca 0.66 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1sjm s PRO 71 Cb -0.22 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1sjm s PRO 71 CO 0.59 -1.20 1.06 -1.17 0.04 0.00 0.00 177.00 176.33 1sjm s LEU 72 N -5.04 4.24 -0.16 -3.56 2.96 -1.26 -4.31 118.68 111.55 1sjm s LEU 72 Ca 0.64 1.58 -0.09 0.00 -0.22 0.00 0.00 54.13 56.05 1sjm s LEU 72 Cb -0.18 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1sjm s LEU 72 CO 0.44 -0.51 0.14 -0.04 -1.32 0.00 0.00 176.35 175.06 1sjm s MET 73 N 2.24 3.80 -0.14 1.98 -1.94 -1.16 -4.58 119.30 119.49 1sjm s MET 73 Ca 0.50 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 54.33 1sjm s MET 73 Cb -0.19 -3.30 0.01 0.00 2.01 0.00 0.00 34.83 33.36 1sjm s MET 73 CO 0.17 0.55 -0.18 0.08 -0.01 0.00 0.00 175.02 175.63 1sjm s VAL 74 N -0.36 1.82 0.39 -6.03 1.01 -1.26 -0.56 120.40 115.41 1sjm s VAL 74 Ca 0.12 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1sjm s VAL 74 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1sjm s VAL 74 CO 0.01 0.50 0.20 1.33 0.00 0.00 0.00 175.10 177.15 1sjm n VAL 75 N 4.31 0.00 -4.30 2.92 0.24 -0.35 -4.99 118.33 116.17 1sjm n VAL 75 Ca -0.19 -2.46 -0.23 0.00 -2.04 0.00 0.00 64.34 59.41 1sjm n VAL 75 Cb 0.51 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1sjm n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1sjm s HIS 76 N -3.22 2.69 0.21 6.34 3.76 -1.26 -0.97 115.29 122.83 1sjm s HIS 76 Ca 0.28 -0.22 -0.32 0.00 -0.15 0.00 0.00 55.06 54.65 1sjm s HIS 76 Cb 0.01 -1.20 -0.14 0.00 1.11 0.00 0.00 32.58 32.37 1sjm s HIS 76 CO 0.20 0.61 1.48 0.94 -0.85 0.00 0.00 174.74 177.12 1sjm n GLN 77 N -0.78 2.09 -0.94 1.40 7.27 0.21 -1.30 117.38 125.33 1sjm n GLN 77 Ca -0.07 0.75 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1sjm n GLN 77 Cb 0.59 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1sjm n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1sjm n ASP 78 N 2.63 -1.87 -4.71 1.69 10.43 0.32 -4.73 116.55 120.31 1sjm n ASP 78 Ca 0.14 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.21 1sjm n ASP 78 Cb 0.30 -0.93 0.16 0.00 1.84 0.00 0.00 41.12 42.50 1sjm n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1sjm s ASP 79 N -2.38 2.89 -0.02 -2.24 -0.00 -0.42 -4.64 116.67 109.87 1sjm s ASP 79 Ca 0.00 1.11 0.03 0.00 -0.00 0.00 0.00 52.55 53.68 1sjm s ASP 79 Cb 0.00 -1.74 -0.03 0.00 -0.00 0.00 0.00 42.92 41.14 1sjm s ASP 79 CO 0.00 -2.95 -0.07 -0.31 -0.00 0.00 0.00 175.17 171.84 1sjm s TYR 80 N -3.07 2.90 -0.22 4.23 1.51 -0.12 -0.89 117.35 121.68 1sjm s TYR 80 Ca 0.65 -0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.62 1sjm s TYR 80 Cb -0.17 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1sjm s TYR 80 CO 0.56 0.36 0.04 -1.17 -1.11 0.00 0.00 175.55 174.23 1sjm s LEU 81 N -1.24 3.43 -0.32 -1.29 0.20 -0.19 -0.58 118.68 118.69 1sjm s LEU 81 Ca 0.16 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.85 1sjm s LEU 81 Cb -0.11 -1.89 0.09 0.00 -0.43 0.00 0.00 46.19 43.84 1sjm s LEU 81 CO 0.06 0.03 0.02 -0.70 -0.29 0.00 0.00 176.35 175.46 1sjm s GLU 82 N 1.21 1.59 -0.21 1.98 2.12 -0.06 -1.44 118.70 123.90 1sjm s GLU 82 Ca 0.04 -1.67 -0.09 0.00 0.36 0.00 0.00 54.97 53.61 1sjm s GLU 82 Cb -0.14 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1sjm s GLU 82 CO 0.03 -0.85 0.10 -1.17 -0.54 0.00 0.00 175.26 172.82 1sjm s LEU 83 N 1.02 3.91 -0.32 2.70 2.96 0.14 -1.55 118.68 127.54 1sjm s LEU 83 Ca 0.06 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 53.87 1sjm s LEU 83 Cb -0.19 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1sjm s LEU 83 CO -0.08 0.12 0.54 -0.89 -1.32 0.00 0.00 176.35 174.72 1sjm s THR 84 N 0.68 5.01 -0.14 3.68 2.01 -0.01 -1.37 115.64 125.50 1sjm s THR 84 Ca 0.05 0.60 -0.01 0.00 0.31 0.00 0.00 61.69 62.64 1sjm s THR 84 Cb -0.13 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1sjm s THR 84 CO 0.01 -0.13 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.49 1sjm s LEU 85 N 2.44 2.86 -0.10 4.42 2.96 -0.12 -1.20 118.68 129.93 1sjm s LEU 85 Ca 0.21 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1sjm s LEU 85 Cb -0.15 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1sjm s LEU 85 CO 0.12 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.46 1sjm s ILE 86 N 0.43 1.87 -0.46 6.68 1.01 -0.52 -1.52 121.20 128.70 1sjm s ILE 86 Ca -0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1sjm s ILE 86 Cb -0.15 -1.64 0.12 0.00 0.01 0.00 0.00 42.46 40.80 1sjm s ILE 86 CO 0.04 0.52 0.25 0.21 0.00 0.00 0.00 174.94 175.96 1sjm s ASN 87 N 0.53 5.09 0.78 3.58 2.47 -0.10 -1.09 114.94 126.20 1sjm s ASN 87 Ca -0.15 -2.36 -0.14 0.00 0.42 0.00 0.00 52.86 50.63 1sjm s ASN 87 Cb -0.17 -1.79 0.07 0.00 -1.45 0.00 0.00 41.25 37.91 1sjm s ASN 87 CO 0.05 -0.44 1.22 -2.84 -3.72 0.00 0.00 177.10 171.37 1sjm s PRO 88 N 0.66 1.77 0.44 0.43 0.02 -1.26 -0.13 135.00 136.93 1sjm s PRO 88 Ca 0.12 1.81 0.30 0.00 0.02 0.00 0.00 61.00 63.25 1sjm s PRO 88 Cb -0.22 -1.78 1.42 0.00 0.02 0.00 0.00 34.50 33.94 1sjm s PRO 88 CO -0.04 -2.13 1.91 1.05 -0.33 0.00 0.00 177.00 177.46 1sjm h GLU 89 N -0.68 0.00 0.00 5.54 4.11 -1.90 -1.74 114.58 119.91 1sjm h GLU 89 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1sjm h GLU 89 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1sjm h GLU 89 CO 0.47 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.34 1sjm h THR 90 N 0.00 0.00 -4.29 -1.06 1.35 -1.95 -3.44 112.91 103.52 1sjm h THR 90 Ca 0.00 -0.50 -0.49 0.00 -0.55 0.00 0.00 66.41 64.87 1sjm h THR 90 Cb 0.26 1.42 0.11 0.00 -1.73 0.00 0.00 68.15 68.22 1sjm h THR 90 CO 0.00 0.00 0.34 0.20 -0.25 0.00 0.00 175.52 175.81 1sjm s ASN 91 N -5.02 4.56 -0.01 5.36 0.01 -0.65 -5.02 114.94 114.18 1sjm s ASN 91 Ca 0.06 1.34 0.08 0.00 -0.71 0.00 0.00 52.86 53.63 1sjm s ASN 91 Cb 0.09 -2.09 -0.10 0.00 0.41 0.00 0.00 41.25 39.56 1sjm s ASN 91 CO 0.53 -1.93 0.22 0.35 -1.51 0.00 0.00 177.10 174.76 1sjm n THR 92 N -3.41 0.00 -4.30 1.60 -2.24 -1.26 -4.74 114.28 99.92 1sjm n THR 92 Ca 0.07 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1sjm n THR 92 Cb 0.56 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.25 1sjm n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sjm s LEU 93 N -3.11 2.80 0.38 3.22 1.43 -1.26 -4.91 118.68 117.23 1sjm s LEU 93 Ca -0.01 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.26 1sjm s LEU 93 Cb 0.05 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1sjm s LEU 93 CO 0.31 0.15 1.11 -0.32 0.23 0.00 0.00 176.35 177.83 1sjm s MET 94 N -2.41 4.20 0.18 1.70 -2.45 -1.26 -4.15 119.30 115.11 1sjm s MET 94 Ca 0.21 1.71 -0.00 0.00 -1.25 0.00 0.00 55.69 56.35 1sjm s MET 94 Cb -0.10 -2.72 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 1sjm s MET 94 CO 0.12 -0.16 0.07 -1.01 1.05 0.00 0.00 175.02 175.10 1sjm s HIS 95 N -1.46 1.12 0.00 4.11 0.09 -0.82 -4.90 115.29 113.43 1sjm s HIS 95 Ca 0.55 -1.23 0.00 0.00 -0.00 0.00 0.00 55.06 54.38 1sjm s HIS 95 Cb -0.28 -0.61 0.00 0.00 -0.00 0.00 0.00 32.58 31.69 1sjm s HIS 95 CO 0.35 -0.47 0.00 0.27 -0.00 0.00 0.00 174.74 174.89 1sjm n ASN 96 N -0.23 0.00 -3.75 1.40 6.94 -1.26 -0.87 115.26 117.49 1sjm n ASN 96 Ca -0.03 -0.55 -0.12 0.00 -0.02 0.00 0.00 54.58 53.86 1sjm n ASN 96 Cb 0.65 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.95 1sjm n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1sjm s ILE 97 N -2.60 -0.02 -0.24 1.53 2.07 -1.26 -4.19 121.20 116.50 1sjm s ILE 97 Ca 0.00 0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.28 1sjm s ILE 97 Cb 0.00 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.17 1sjm s ILE 97 CO 0.00 0.02 -0.07 -0.62 -1.91 0.00 0.00 174.94 172.36 1sjm s ASP 98 N 0.70 4.20 -0.35 4.50 3.68 0.40 -1.31 116.67 128.49 1sjm s ASP 98 Ca -0.04 -0.79 -0.17 0.00 2.13 0.00 0.00 52.55 53.68 1sjm s ASP 98 Cb -0.06 -1.66 -0.01 0.00 -1.45 0.00 0.00 42.92 39.75 1sjm s ASP 98 CO -0.04 -0.10 0.45 -0.36 0.13 0.00 0.00 175.17 175.25 1sjm s PHE 99 N 1.34 3.19 0.66 -5.34 0.40 0.32 -1.03 117.98 117.51 1sjm s PHE 99 Ca 0.01 0.10 0.42 0.00 -0.60 0.00 0.00 56.93 56.86 1sjm s PHE 99 Cb -0.16 -2.82 2.32 0.00 0.51 0.00 0.00 43.02 42.87 1sjm s PHE 99 CO -0.05 -0.49 2.35 0.45 0.70 0.00 0.00 175.22 178.17 1sjm h HIS 100 N 8.45 0.00 0.00 0.36 3.86 -1.50 -1.64 115.15 124.69 1sjm h HIS 100 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1sjm h HIS 100 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1sjm h HIS 100 CO 0.71 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.50 1sjm h ALA 101 N 1.98 1.00 -2.13 2.45 0.00 -1.90 -3.47 119.26 117.20 1sjm h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1sjm h ALA 101 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sjm h ALA 101 CO -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 1sjm s ALA 102 N -3.48 3.87 -0.16 0.00 0.00 -0.62 -4.56 121.76 116.82 1sjm s ALA 102 Ca 0.03 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1sjm s ALA 102 Cb 0.08 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1sjm s ALA 102 CO 0.54 0.02 -0.17 0.99 0.00 0.00 0.00 175.76 177.15 1sjm s THR 103 N -2.21 1.80 0.00 0.00 2.01 -1.26 -4.70 115.64 111.28 1sjm s THR 103 Ca 0.40 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1sjm s THR 103 Cb -0.09 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.76 1sjm s THR 103 CO 0.33 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1sjm n GLY 104 N 4.69 2.88 4.21 4.40 0.00 -1.26 -4.94 105.19 115.17 1sjm n GLY 104 Ca -0.19 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1sjm n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm n ALA 105 N 0.10 -1.85 -3.71 4.61 0.00 -1.26 -0.44 120.51 117.97 1sjm n ALA 105 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1sjm n ALA 105 Cb 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 19.45 18.02 1sjm n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sjm n LEU 106 N -4.45 -3.11 0.00 0.00 4.77 -1.26 -1.23 117.00 111.72 1sjm n LEU 106 Ca -0.23 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1sjm n LEU 106 Cb 0.65 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 1sjm n LEU 106 CO 0.83 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1sjm n GLY 107 N -1.85 0.45 0.00 -0.72 0.00 0.42 -2.75 105.19 100.74 1sjm n GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sjm n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 108 N -2.29 2.51 0.34 -0.02 0.00 -0.37 -0.53 105.19 104.83 1sjm n GLY 108 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1sjm n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sjm h GLY 109 N 0.00 0.81 2.00 -0.02 0.00 -0.67 -1.38 103.07 103.81 1sjm h GLY 109 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1sjm h GLY 109 CO 0.00 0.25 0.00 -1.33 0.00 0.00 0.00 176.54 175.46 1sjm h GLY 110 N 0.72 0.00 -0.83 4.60 0.00 -1.58 -3.09 103.07 102.88 1sjm h GLY 110 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1sjm h GLY 110 CO -0.07 0.00 -0.09 1.04 0.00 0.00 0.00 176.54 177.42 1sjm n LEU 111 N -2.59 1.78 -0.27 3.11 4.77 -0.54 -4.69 117.00 118.57 1sjm n LEU 111 Ca 0.01 -0.91 0.06 0.00 -0.03 0.00 0.00 56.01 55.14 1sjm n LEU 111 Cb 0.22 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1sjm n LEU 111 CO 0.21 0.34 0.44 0.35 -1.33 0.00 0.00 177.39 177.39 1sjm n THR 112 N 0.37 1.16 -2.14 -5.08 -2.24 -1.08 -4.95 114.28 100.31 1sjm n THR 112 Ca 0.06 -1.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.00 1sjm n THR 112 Cb 0.29 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1sjm n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sjm s GLU 113 N -1.76 3.33 -0.15 -0.78 2.02 -1.25 -4.18 118.70 115.93 1sjm s GLU 113 Ca 0.20 1.12 0.02 0.00 0.02 0.00 0.00 54.97 56.33 1sjm s GLU 113 Cb 0.18 -4.16 0.01 0.00 0.10 0.00 0.00 34.13 30.26 1sjm s GLU 113 CO 0.01 -1.87 -0.20 0.96 0.02 0.00 0.00 175.26 174.19 1sjm s ILE 114 N 6.62 1.97 0.72 -1.63 -4.36 -0.05 -4.98 121.20 119.49 1sjm s ILE 114 Ca 0.71 -0.91 -0.11 0.00 -0.26 0.00 0.00 60.65 60.08 1sjm s ILE 114 Cb -0.18 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.79 1sjm s ILE 114 CO 0.31 0.53 1.08 0.20 0.24 0.00 0.00 174.94 177.30 1sjm s ASN 115 N 1.04 5.24 0.10 4.36 0.02 -1.26 -1.94 114.94 122.50 1sjm s ASN 115 Ca -0.02 1.33 -0.35 0.00 -1.02 0.00 0.00 52.86 52.80 1sjm s ASN 115 Cb -0.14 -2.17 -0.15 0.00 0.02 0.00 0.00 41.25 38.81 1sjm s ASN 115 CO -0.06 -1.50 1.49 -2.65 0.02 0.00 0.00 177.10 174.40 1sjm n PRO 116 N -3.13 1.67 -0.25 -0.60 -0.02 -1.26 -1.24 135.00 130.16 1sjm n PRO 116 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1sjm n PRO 116 Cb 0.56 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1sjm n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjm n GLY 117 N 3.10 0.74 3.47 -1.23 0.00 0.82 -4.70 105.19 107.39 1sjm n GLY 117 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1sjm n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjm s GLU 118 N -0.75 1.69 0.24 1.61 2.02 -0.37 -4.89 118.70 118.25 1sjm s GLU 118 Ca 0.00 -1.63 0.02 0.00 0.02 0.00 0.00 54.97 53.38 1sjm s GLU 118 Cb 0.00 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 1sjm s GLU 118 CO 0.00 0.36 0.05 -1.59 0.02 0.00 0.00 175.26 174.10 1sjm s LYS 119 N -3.18 1.37 0.08 1.61 -2.85 -1.26 -0.93 119.74 114.58 1sjm s LYS 119 Ca 0.26 -1.72 -0.18 0.00 -1.00 0.00 0.00 55.97 53.34 1sjm s LYS 119 Cb -0.06 -0.42 0.04 0.00 -2.06 0.00 0.00 37.83 35.32 1sjm s LYS 119 CO 0.13 -0.21 0.42 -0.08 0.10 0.00 0.00 175.35 175.72 1sjm s THR 120 N -3.60 0.06 -0.11 3.79 -1.32 -0.57 -5.00 115.64 108.88 1sjm s THR 120 Ca 0.33 -0.48 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1sjm s THR 120 Cb 0.07 -1.04 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 1sjm s THR 120 CO 0.11 -0.26 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.51 1sjm s ILE 121 N -3.00 1.29 -0.10 5.08 1.01 -1.26 -0.95 121.20 123.28 1sjm s ILE 121 Ca -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1sjm s ILE 121 Cb 0.00 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1sjm s ILE 121 CO -0.06 0.41 -0.16 -0.22 0.00 0.00 0.00 174.94 174.90 1sjm s LEU 122 N 1.30 2.55 -0.06 2.97 2.96 -0.47 -4.97 118.68 122.97 1sjm s LEU 122 Ca -0.01 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1sjm s LEU 122 Cb -0.14 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1sjm s LEU 122 CO -0.05 0.21 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.42 1sjm s ARG 123 N 0.05 2.59 0.03 1.98 3.52 -1.26 -0.68 118.95 125.18 1sjm s ARG 123 Ca -0.06 -0.76 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1sjm s ARG 123 Cb -0.15 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 1sjm s ARG 123 CO 0.05 0.51 0.04 -0.59 -0.81 0.00 0.00 175.30 174.50 1sjm s PHE 124 N -0.45 0.24 -0.12 5.12 -0.12 -0.52 -4.99 117.98 117.15 1sjm s PHE 124 Ca 0.05 -0.54 -0.23 0.00 -0.05 0.00 0.00 56.93 56.16 1sjm s PHE 124 Cb -0.12 -0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 1sjm s PHE 124 CO 0.02 -0.29 0.70 0.21 -0.05 0.00 0.00 175.22 175.80 1sjm s LYS 125 N -2.21 4.35 -1.24 1.99 2.20 -1.26 -1.02 119.74 122.55 1sjm s LYS 125 Ca -0.09 0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 56.18 1sjm s LYS 125 Cb -0.04 -3.50 0.12 0.00 -1.51 0.00 0.00 37.83 32.90 1sjm s LYS 125 CO -0.03 -0.08 1.57 0.00 -0.36 0.00 0.00 175.35 176.45 1sjm s ALA 126 N 1.30 3.64 -0.49 3.13 0.00 -0.07 -4.78 121.76 124.49 1sjm s ALA 126 Ca 0.35 -3.11 0.24 0.00 0.00 0.00 0.00 51.96 49.44 1sjm s ALA 126 Cb -0.17 -4.37 0.53 0.00 0.00 0.00 0.00 23.12 19.10 1sjm s ALA 126 CO 0.15 -3.04 1.67 1.79 0.00 0.00 0.00 175.76 176.33 1sjm h THR 127 N 5.17 0.00 -3.32 0.00 1.35 -1.85 0.93 112.91 115.19 1sjm h THR 127 Ca 0.37 -0.82 -0.63 0.00 -0.55 0.00 0.00 66.41 64.78 1sjm h THR 127 Cb 0.88 1.82 -0.34 0.00 -1.73 0.00 0.00 68.15 68.78 1sjm h THR 127 CO 1.34 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.22 1sjm s LYS 128 N -3.21 2.60 0.17 4.72 1.02 -1.26 -4.74 119.74 119.04 1sjm s LYS 128 Ca 0.08 -0.72 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 1sjm s LYS 128 Cb 0.07 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 1sjm s LYS 128 CO 0.64 0.07 0.88 -1.25 -0.92 0.00 0.00 175.35 174.77 1sjm s PRO 129 N 0.61 4.70 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.61 1sjm s PRO 129 Ca -0.14 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1sjm s PRO 129 Cb -0.17 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1sjm s PRO 129 CO 0.04 0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.94 1sjm n GLY 130 N 1.78 -0.15 3.86 0.56 0.00 0.19 -2.10 105.19 109.33 1sjm n GLY 130 Ca -0.02 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1sjm n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjm s VAL 131 N -1.84 5.25 -0.02 1.61 -7.23 0.45 0.02 120.40 118.63 1sjm s VAL 131 Ca 0.00 0.47 -0.03 0.00 -1.81 0.00 0.00 61.98 60.62 1sjm s VAL 131 Cb 0.00 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.37 1sjm s VAL 131 CO 0.00 0.53 0.07 -0.36 -0.31 0.00 0.00 175.10 175.03 1sjm s PHE 132 N -1.13 -0.06 0.51 2.82 0.08 -0.30 -4.46 117.98 115.46 1sjm s PHE 132 Ca 0.22 0.14 -0.21 0.00 0.12 0.00 0.00 56.93 57.20 1sjm s PHE 132 Cb -0.14 0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.26 1sjm s PHE 132 CO 0.11 -0.06 1.18 0.08 -0.10 0.00 0.00 175.22 176.44 1sjm s VAL 133 N -0.09 2.93 0.13 -0.44 1.01 -1.26 -0.63 120.40 122.03 1sjm s VAL 133 Ca -0.01 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1sjm s VAL 133 Cb -0.01 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1sjm s VAL 133 CO 0.00 -0.06 -0.19 -0.72 0.00 0.00 0.00 175.10 174.13 1sjm s TYR 134 N -1.58 1.77 0.09 5.22 -0.85 -0.71 -1.33 117.35 119.96 1sjm s TYR 134 Ca 0.69 -0.44 -0.25 0.00 -0.52 0.00 0.00 57.07 56.54 1sjm s TYR 134 Cb -0.29 -0.93 0.07 0.00 0.38 0.00 0.00 41.96 41.19 1sjm s TYR 134 CO 0.34 0.25 0.65 -3.38 -1.52 0.00 0.00 175.55 171.89 1sjm s HIS 135 N -1.54 -0.54 0.57 -3.49 -3.43 -0.20 -0.84 115.29 105.82 1sjm s HIS 135 Ca 0.10 0.49 -0.18 0.00 -0.80 0.00 0.00 55.06 54.67 1sjm s HIS 135 Cb -0.08 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 1sjm s HIS 135 CO 0.05 -0.76 1.09 0.00 -2.00 0.00 0.00 174.74 173.12 1sjm n ALA 137 N -1.69 -1.16 -2.33 0.00 0.00 -1.26 -4.52 120.51 109.55 1sjm n ALA 137 Ca 0.10 -1.49 -0.42 0.00 0.00 0.00 0.00 53.44 51.63 1sjm n ALA 137 Cb 0.52 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1sjm n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sjm s PRO 138 N 0.54 4.35 0.17 0.00 0.02 -1.26 -4.86 135.00 133.96 1sjm s PRO 138 Ca 0.31 1.85 -0.33 0.00 0.02 0.00 0.00 61.00 62.84 1sjm s PRO 138 Cb 0.24 -3.47 -0.15 0.00 0.02 0.00 0.00 34.50 31.14 1sjm s PRO 138 CO -0.21 -0.44 1.37 -2.30 -0.33 0.00 0.00 177.00 175.09 1sjm n PRO 139 N 4.75 1.65 -0.35 5.54 -0.02 -1.26 -0.99 135.00 144.32 1sjm n PRO 139 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1sjm n PRO 139 Cb 0.45 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1sjm n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjm n GLY 140 N 2.48 1.87 1.59 -1.23 0.00 -1.26 -4.80 105.19 103.84 1sjm n GLY 140 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1sjm n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sjm n MET 141 N -2.00 0.18 0.42 1.61 2.81 -0.16 -4.98 117.12 115.00 1sjm n MET 141 Ca 0.00 -2.15 -0.18 0.00 -1.81 0.00 0.00 57.70 53.56 1sjm n MET 141 Cb 0.00 -0.17 -0.09 0.00 -0.71 0.00 0.00 33.22 32.26 1sjm n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1sjm h VAL 142 N 6.76 0.12 -0.24 2.03 2.07 -1.82 -2.79 116.25 122.38 1sjm h VAL 142 Ca -0.22 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1sjm h VAL 142 Cb 1.83 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1sjm h VAL 142 CO 0.11 0.01 0.06 1.55 0.02 0.00 0.00 177.57 179.31 1sjm h PRO 143 N -1.20 0.34 -0.47 1.57 0.13 -1.92 -2.45 132.00 128.00 1sjm h PRO 143 Ca -0.11 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1sjm h PRO 143 Cb 0.83 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1sjm h PRO 143 CO 0.18 0.32 0.29 2.35 -0.23 0.00 0.00 178.00 180.91 1sjm h TRP 144 N 0.34 0.61 -0.50 1.56 7.01 -1.94 0.50 115.95 123.53 1sjm h TRP 144 Ca 0.08 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.01 1sjm h TRP 144 Cb 0.14 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1sjm h TRP 144 CO 0.00 0.42 0.01 0.45 -2.79 0.00 0.00 178.44 176.53 1sjm h HIS 145 N 0.63 0.95 -0.23 2.65 3.86 -1.20 -2.13 115.15 119.68 1sjm h HIS 145 Ca 0.17 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1sjm h HIS 145 Cb -0.02 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 1sjm h HIS 145 CO -0.03 0.89 0.09 0.28 0.86 0.00 0.00 177.93 180.01 1sjm h VAL 146 N 0.74 1.17 -0.01 2.45 2.07 -0.99 -2.29 116.25 119.39 1sjm h VAL 146 Ca 0.14 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sjm h VAL 146 Cb 0.50 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1sjm h VAL 146 CO 0.02 0.17 0.00 1.33 0.02 0.00 0.00 177.57 179.11 1sjm n VAL 147 N -4.80 0.01 0.72 2.57 0.24 0.13 -1.53 118.33 115.66 1sjm n VAL 147 Ca -0.03 -0.03 0.07 0.00 -2.04 0.00 0.00 64.34 62.31 1sjm n VAL 147 Cb 0.13 -0.35 0.21 0.00 -1.47 0.00 0.00 33.84 32.36 1sjm n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1sjm n SER 148 N -0.82 2.22 0.00 -1.34 7.64 -0.80 -4.63 113.62 115.88 1sjm n SER 148 Ca 0.21 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1sjm n SER 148 Cb 0.13 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1sjm n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sjm n GLY 149 N 1.18 0.82 2.82 0.23 0.00 -0.58 -1.57 105.19 108.09 1sjm n GLY 149 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1sjm n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sjm n MET 150 N -2.04 3.80 -3.49 1.61 0.00 -0.91 -4.52 117.12 111.57 1sjm n MET 150 Ca 0.00 -3.59 -0.14 0.00 0.00 0.00 0.00 57.70 53.98 1sjm n MET 150 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 33.22 30.32 1sjm n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1sjm s ASN 151 N 0.61 -0.54 0.00 6.12 2.20 -1.26 -1.70 114.94 120.37 1sjm s ASN 151 Ca 0.41 0.17 0.00 0.00 -0.94 0.00 0.00 52.86 52.50 1sjm s ASN 151 Cb 0.10 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1sjm s ASN 151 CO 0.00 -0.83 0.00 0.61 -2.94 0.00 0.00 177.10 173.94 1sjm n GLY 152 N 0.08 3.48 3.40 0.45 0.00 -0.02 -0.70 105.19 111.88 1sjm n GLY 152 Ca -0.18 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1sjm n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm s ALA 153 N -1.05 -0.75 0.25 4.61 0.00 -1.26 -1.73 121.76 121.83 1sjm s ALA 153 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1sjm s ALA 153 Cb 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 1sjm s ALA 153 CO 0.00 -0.71 -0.14 0.96 0.00 0.00 0.00 175.76 175.87 1sjm s ILE 154 N -3.86 1.96 -0.13 0.00 -4.36 0.19 -3.01 121.20 112.00 1sjm s ILE 154 Ca 0.08 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.24 1sjm s ILE 154 Cb 0.01 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.51 1sjm s ILE 154 CO -0.06 -0.46 -0.19 -0.32 0.24 0.00 0.00 174.94 174.15 1sjm s MET 155 N -3.62 2.68 -0.55 0.37 -2.45 0.28 -1.15 119.30 114.87 1sjm s MET 155 Ca 0.26 -0.73 -0.10 0.00 -1.25 0.00 0.00 55.69 53.88 1sjm s MET 155 Cb -0.01 -2.22 0.14 0.00 1.25 0.00 0.00 34.83 33.99 1sjm s MET 155 CO 0.11 -0.06 0.44 0.08 1.05 0.00 0.00 175.02 176.64 1sjm s VAL 156 N 0.95 4.51 0.42 10.11 1.01 0.10 -1.21 120.40 136.29 1sjm s VAL 156 Ca -0.05 -1.97 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 1sjm s VAL 156 Cb -0.15 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1sjm s VAL 156 CO -0.03 -0.84 1.07 -0.76 0.00 0.00 0.00 175.10 174.54 1sjm s LEU 157 N 1.08 4.10 0.63 3.92 1.43 -0.15 -0.64 118.68 129.04 1sjm s LEU 157 Ca 0.08 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.08 1sjm s LEU 157 Cb -0.24 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1sjm s LEU 157 CO -0.02 -0.59 1.18 -2.65 0.23 0.00 0.00 176.35 174.51 1sjm n PRO 158 N -0.21 1.07 0.26 1.29 -0.02 -1.26 -0.62 135.00 135.51 1sjm n PRO 158 Ca 0.06 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1sjm n PRO 158 Cb 0.50 -2.41 0.67 0.00 -0.02 0.00 0.00 33.50 32.24 1sjm n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sjm h ARG 159 N 0.57 0.00 -0.66 -0.52 3.08 -1.88 -1.05 114.38 113.91 1sjm h ARG 159 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1sjm h ARG 159 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1sjm h ARG 159 CO 0.52 0.08 0.00 0.39 -1.07 0.00 0.00 179.97 179.89 1sjm n GLU 160 N -4.19 3.81 -0.14 0.04 -0.58 -1.26 -0.55 120.64 117.77 1sjm n GLU 160 Ca -0.03 -2.40 0.02 0.00 -0.42 0.00 0.00 57.16 54.33 1sjm n GLU 160 Cb 0.16 -2.01 -0.00 0.00 -0.57 0.00 0.00 31.44 29.02 1sjm n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sjm n GLY 161 N 0.62 -1.95 3.85 0.62 0.00 -0.40 -4.76 105.19 103.17 1sjm n GLY 161 Ca 0.21 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 1sjm n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjm s LEU 162 N 0.00 3.80 0.04 0.99 1.43 -1.26 -4.46 118.68 119.22 1sjm s LEU 162 Ca 0.00 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 1sjm s LEU 162 Cb 0.00 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1sjm s LEU 162 CO 0.00 -0.44 -0.01 -1.00 0.23 0.00 0.00 176.35 175.12 1sjm s HIS 163 N -2.39 0.38 0.62 0.29 3.76 -1.26 -1.50 115.29 115.19 1sjm s HIS 163 Ca 0.56 -0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 1sjm s HIS 163 Cb -0.10 -0.28 0.14 0.00 1.11 0.00 0.00 32.58 33.45 1sjm s HIS 163 CO 0.27 -0.30 0.81 -0.40 -0.85 0.00 0.00 174.74 174.26 1sjm n ASP 164 N 0.77 -0.10 0.07 1.40 3.85 0.48 -4.83 116.55 118.18 1sjm n ASP 164 Ca -0.18 -1.26 0.09 0.00 -0.71 0.00 0.00 54.79 52.73 1sjm n ASP 164 Cb 0.58 -0.63 0.40 0.00 -1.35 0.00 0.00 41.12 40.12 1sjm n ASP 164 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sjm n GLY 165 N -0.55 -1.12 0.97 6.12 0.00 -1.26 -2.19 105.19 107.16 1sjm n GLY 165 Ca 0.10 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1sjm n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sjm n LYS 166 N -1.89 3.13 -0.99 1.61 5.02 -1.26 -4.98 118.16 118.80 1sjm n LYS 166 Ca 0.03 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 1sjm n LYS 166 Cb 0.19 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1sjm n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sjm n GLY 167 N -0.09 0.54 3.74 0.72 0.00 -0.93 -5.02 105.19 104.15 1sjm n GLY 167 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1sjm n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjm s LYS 168 N -0.22 4.69 0.38 1.61 -0.14 -1.26 -4.79 119.74 120.01 1sjm s LYS 168 Ca 0.00 1.57 -0.27 0.00 -1.36 0.00 0.00 55.97 55.91 1sjm s LYS 168 Cb 0.00 -3.31 -0.09 0.00 -1.68 0.00 0.00 37.83 32.74 1sjm s LYS 168 CO 0.00 0.23 1.32 0.00 -0.76 0.00 0.00 175.35 176.14 1sjm s ALA 169 N -0.39 3.37 -0.24 5.17 0.00 -1.26 -0.39 121.76 128.02 1sjm s ALA 169 Ca 0.46 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.72 1sjm s ALA 169 Cb -0.26 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.41 1sjm s ALA 169 CO 0.33 -0.79 -0.11 -0.51 0.00 0.00 0.00 175.76 174.68 1sjm s LEU 170 N -2.18 3.01 -0.22 0.00 1.43 -0.56 -4.80 118.68 115.37 1sjm s LEU 170 Ca 0.54 -1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1sjm s LEU 170 Cb -0.39 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1sjm s LEU 170 CO 0.52 -0.17 -0.11 -0.89 0.23 0.00 0.00 176.35 175.92 1sjm s THR 171 N 1.21 2.61 0.39 5.49 2.01 -1.26 -4.11 115.64 121.99 1sjm s THR 171 Ca -0.06 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1sjm s THR 171 Cb -0.19 -2.24 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1sjm s THR 171 CO -0.06 0.35 0.83 -0.72 -0.69 0.00 0.00 174.62 174.32 1sjm s TYR 172 N 1.32 3.39 0.02 4.92 -0.85 -1.26 -4.87 117.35 120.03 1sjm s TYR 172 Ca 0.02 1.30 0.09 0.00 -0.52 0.00 0.00 57.07 57.96 1sjm s TYR 172 Cb -0.15 -2.62 -0.23 0.00 0.38 0.00 0.00 41.96 39.34 1sjm s TYR 172 CO -0.07 -0.06 0.90 -0.44 -1.52 0.00 0.00 175.55 174.36 1sjm h ASP 173 N 1.75 0.04 -5.11 -0.18 3.32 -0.96 -3.49 116.42 111.79 1sjm h ASP 173 Ca -0.48 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 1sjm h ASP 173 Cb 1.18 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 1sjm h ASP 173 CO 0.63 1.05 -0.06 -1.59 -1.72 0.00 0.00 179.24 177.55 1sjm s LYS 174 N -2.64 1.24 -0.00 3.56 -2.85 -1.06 -5.03 119.74 112.96 1sjm s LYS 174 Ca -0.03 -0.86 0.01 0.00 -1.00 0.00 0.00 55.97 54.09 1sjm s LYS 174 Cb 0.09 0.48 -0.00 0.00 -2.06 0.00 0.00 37.83 36.33 1sjm s LYS 174 CO 0.82 -0.50 -0.04 -1.50 0.10 0.00 0.00 175.35 174.23 1sjm s ILE 175 N -3.86 0.35 0.11 3.79 2.07 -1.26 -1.47 121.20 120.92 1sjm s ILE 175 Ca 0.08 -0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1sjm s ILE 175 Cb 0.01 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 1sjm s ILE 175 CO -0.06 0.10 -0.19 -0.31 -1.91 0.00 0.00 174.94 172.58 1sjm s TYR 176 N -0.08 1.68 -0.25 3.50 2.02 -0.43 -4.52 117.35 119.26 1sjm s TYR 176 Ca 0.01 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1sjm s TYR 176 Cb -0.02 -0.90 0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1sjm s TYR 176 CO -0.00 0.20 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.63 1sjm s TYR 177 N -1.42 3.13 -0.43 2.71 5.04 -0.00 -0.96 117.35 125.42 1sjm s TYR 177 Ca 0.07 -1.87 -0.12 0.00 -2.44 0.00 0.00 57.07 52.71 1sjm s TYR 177 Cb -0.09 -2.01 0.06 0.00 0.35 0.00 0.00 41.96 40.27 1sjm s TYR 177 CO 0.04 -0.80 0.30 0.08 -1.34 0.00 0.00 175.55 173.83 1sjm s VAL 178 N 1.24 4.72 -0.19 3.14 1.01 0.34 -4.21 120.40 126.45 1sjm s VAL 178 Ca -0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 1sjm s VAL 178 Cb -0.18 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1sjm s VAL 178 CO -0.05 -0.45 0.42 -0.83 0.00 0.00 0.00 175.10 174.19 1sjm s GLY 179 N 2.11 2.12 -0.18 4.51 0.00 -1.26 -1.90 107.32 112.72 1sjm s GLY 179 Ca 0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1sjm s GLY 179 CO 0.05 0.84 0.08 1.85 0.00 0.00 0.00 173.10 175.93 1sjm s GLU 180 N 1.25 3.94 -0.12 2.90 2.12 -0.61 -2.09 118.70 126.09 1sjm s GLU 180 Ca 0.21 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.26 1sjm s GLU 180 Cb -0.15 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.01 1sjm s GLU 180 CO 0.08 0.35 -0.16 -1.14 -0.54 0.00 0.00 175.26 173.85 1sjm s GLN 181 N 0.17 2.38 -0.22 4.30 2.00 0.56 -4.51 119.66 124.33 1sjm s GLN 181 Ca 0.06 -0.61 -0.22 0.00 -2.00 0.00 0.00 55.36 52.59 1sjm s GLN 181 Cb -0.12 -2.01 -0.02 0.00 0.80 0.00 0.00 33.01 31.66 1sjm s GLN 181 CO -0.00 -0.07 0.67 0.16 -0.50 0.00 0.00 175.29 175.55 1sjm s ASP 182 N 1.01 6.70 0.13 6.67 3.84 -1.26 -1.00 116.67 132.76 1sjm s ASP 182 Ca -0.05 0.85 0.07 0.00 -0.00 0.00 0.00 52.55 53.42 1sjm s ASP 182 Cb -0.15 -2.37 -0.04 0.00 -1.38 0.00 0.00 42.92 38.99 1sjm s ASP 182 CO -0.03 -0.34 -0.04 -0.36 -0.00 0.00 0.00 175.17 174.40 1sjm s PHE 183 N 2.21 2.83 -0.53 2.11 0.08 -0.25 -4.74 117.98 119.68 1sjm s PHE 183 Ca 0.30 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.27 1sjm s PHE 183 Cb -0.16 -1.43 0.17 0.00 -0.57 0.00 0.00 43.02 41.03 1sjm s PHE 183 CO 0.10 0.47 0.40 0.71 -0.10 0.00 0.00 175.22 176.80 1sjm s TYR 184 N -1.43 2.17 -0.24 0.36 1.51 -1.26 -0.95 117.35 117.50 1sjm s TYR 184 Ca 0.25 -2.75 -0.16 0.00 -1.01 0.00 0.00 57.07 53.40 1sjm s TYR 184 Cb -0.11 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1sjm s TYR 184 CO 0.16 -0.71 0.41 0.08 -1.11 0.00 0.00 175.55 174.38 1sjm s VAL 185 N -0.54 5.17 0.54 0.71 1.01 -1.26 -4.78 120.40 121.25 1sjm s VAL 185 Ca 0.28 0.68 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 1sjm s VAL 185 Cb -0.02 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1sjm s VAL 185 CO -0.17 0.19 1.29 -2.65 0.00 0.00 0.00 175.10 173.75 1sjm n PRO 186 N 5.00 1.58 -4.35 2.72 -0.02 -1.26 -4.89 135.00 133.78 1sjm n PRO 186 Ca -0.08 0.58 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 1sjm n PRO 186 Cb 0.51 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 1sjm n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sjm s ARG 187 N -2.80 1.79 0.80 -0.52 0.52 -1.26 -1.08 118.95 116.40 1sjm s ARG 187 Ca 0.71 -1.37 -0.09 0.00 -0.52 0.00 0.00 55.73 54.47 1sjm s ARG 187 Cb -0.43 -2.02 0.18 0.00 0.52 0.00 0.00 34.95 33.20 1sjm s ARG 187 CO 0.50 0.43 1.10 -0.40 0.02 0.00 0.00 175.30 176.94 1sjm n ASP 188 N 0.23 0.58 0.30 0.23 5.68 -0.05 -4.85 116.55 118.67 1sjm n ASP 188 Ca -0.12 -1.70 0.18 0.00 -0.50 0.00 0.00 54.79 52.65 1sjm n ASP 188 Cb 0.55 -0.79 0.92 0.00 -1.14 0.00 0.00 41.12 40.66 1sjm n ASP 188 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1sjm h GLU 189 N 0.00 0.00 -0.14 0.11 4.11 -2.02 -1.34 114.58 115.31 1sjm h GLU 189 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1sjm h GLU 189 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1sjm h GLU 189 CO 0.30 0.03 0.00 0.09 0.07 0.00 0.00 179.01 179.50 1sjm n ASN 190 N -3.27 1.47 0.00 3.06 3.02 -1.26 -4.94 115.26 113.34 1sjm n ASN 190 Ca -0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 1sjm n ASN 190 Cb 0.19 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1sjm n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sjm n GLY 191 N 1.09 0.65 3.78 7.41 0.00 -0.50 -5.04 105.19 112.58 1sjm n GLY 191 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1sjm n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjm s LYS 192 N -0.22 4.32 0.29 1.61 3.01 -1.26 -4.80 119.74 122.69 1sjm s LYS 192 Ca 0.00 0.80 -0.29 0.00 -1.01 0.00 0.00 55.97 55.46 1sjm s LYS 192 Cb 0.00 -3.31 -0.10 0.00 -1.01 0.00 0.00 37.83 33.41 1sjm s LYS 192 CO 0.00 0.45 1.39 0.71 0.51 0.00 0.00 175.35 178.41 1sjm s TYR 193 N -0.50 3.00 0.37 3.18 1.51 -1.26 -0.87 117.35 122.78 1sjm s TYR 193 Ca 0.31 1.18 -0.15 0.00 -1.01 0.00 0.00 57.07 57.40 1sjm s TYR 193 Cb -0.19 -3.78 -0.09 0.00 -0.11 0.00 0.00 41.96 37.79 1sjm s TYR 193 CO 0.19 -2.38 0.79 0.15 -1.11 0.00 0.00 175.55 173.19 1sjm s LYS 194 N -0.99 4.00 0.13 -0.62 1.02 -0.24 -4.86 119.74 118.18 1sjm s LYS 194 Ca 0.55 0.73 0.09 0.00 0.02 0.00 0.00 55.97 57.36 1sjm s LYS 194 Cb -0.41 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1sjm s LYS 194 CO 0.48 0.07 -0.18 0.15 -0.92 0.00 0.00 175.35 174.95 1sjm s LYS 195 N -3.23 1.79 0.05 1.68 1.02 -1.26 -4.75 119.74 115.04 1sjm s LYS 195 Ca 0.55 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 55.35 1sjm s LYS 195 Cb -0.10 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1sjm s LYS 195 CO 0.20 0.47 -0.09 0.71 -0.92 0.00 0.00 175.35 175.71 1sjm s TYR 196 N -1.24 0.81 0.04 3.18 2.02 -1.26 -5.07 117.35 115.81 1sjm s TYR 196 Ca 0.19 -0.49 -0.19 0.00 -0.37 0.00 0.00 57.07 56.20 1sjm s TYR 196 Cb -0.10 -0.47 -0.16 0.00 -0.40 0.00 0.00 41.96 40.83 1sjm s TYR 196 CO 0.11 -0.05 1.28 0.93 -1.57 0.00 0.00 175.55 176.25 1sjm h GLU 197 N 4.44 0.42 -5.17 -0.62 5.08 -2.01 -3.47 114.58 113.26 1sjm h GLU 197 Ca -0.37 -0.27 -0.36 0.00 -1.00 0.00 0.00 59.36 57.35 1sjm h GLU 197 Cb 1.20 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 1sjm h GLU 197 CO 0.41 0.88 -0.74 0.00 -1.00 0.00 0.00 179.01 178.55 1sjm s ALA 198 N -3.99 1.30 0.24 3.43 0.00 -1.26 -5.07 121.76 116.41 1sjm s ALA 198 Ca -0.14 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 1sjm s ALA 198 Cb 0.05 -0.02 0.32 0.00 0.00 0.00 0.00 23.12 23.47 1sjm s ALA 198 CO 0.78 0.02 1.85 -1.00 0.00 0.00 0.00 175.76 177.41 1sjm h PRO 199 N 3.50 0.93 0.00 0.00 0.13 -1.96 -2.12 132.00 132.49 1sjm h PRO 199 Ca -0.38 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1sjm h PRO 199 Cb 1.19 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1sjm h PRO 199 CO 0.52 0.62 -0.14 0.78 -0.23 0.00 0.00 178.00 179.55 1sjm h GLY 200 N 0.96 0.00 2.00 1.56 0.00 -2.00 -2.34 103.07 103.24 1sjm h GLY 200 Ca 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1sjm h GLY 200 CO -0.17 0.00 -0.01 -0.55 0.00 0.00 0.00 176.54 175.81 1sjm h ASP 201 N 0.00 0.00 0.29 0.19 3.45 -1.80 -2.09 116.42 116.46 1sjm h ASP 201 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1sjm h ASP 201 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1sjm h ASP 201 CO 0.02 0.01 -0.27 0.00 -1.57 0.00 0.00 179.24 177.43 1sjm n ALA 202 N -2.40 3.10 0.20 3.45 0.00 -0.88 -4.59 120.51 119.37 1sjm n ALA 202 Ca -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1sjm n ALA 202 Cb 0.10 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 1sjm n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sjm h TYR 203 N 0.96 -0.89 -0.43 0.00 5.03 -1.46 -0.00 116.97 120.17 1sjm h TYR 203 Ca 0.00 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1sjm h TYR 203 Cb 0.49 0.35 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 1sjm h TYR 203 CO 0.00 -0.46 0.16 1.49 -1.32 0.00 0.00 178.16 178.02 1sjm h GLU 204 N -0.67 0.66 -0.52 1.82 4.81 -1.81 -0.78 114.58 118.08 1sjm h GLU 204 Ca -0.01 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 1sjm h GLU 204 Cb 0.62 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1sjm h GLU 204 CO -0.08 0.62 0.09 -0.44 -0.73 0.00 0.00 179.01 178.47 1sjm h ASP 205 N 0.56 0.77 -0.28 1.04 3.45 -1.83 -2.64 116.42 117.50 1sjm h ASP 205 Ca 0.14 -0.15 -0.13 0.00 0.43 0.00 0.00 57.03 57.32 1sjm h ASP 205 Cb 0.22 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1sjm h ASP 205 CO -0.01 0.79 -0.35 0.74 -1.57 0.00 0.00 179.24 178.84 1sjm h THR 206 N 0.79 1.30 -0.55 0.35 2.02 -0.56 -2.90 112.91 113.35 1sjm h THR 206 Ca 0.17 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 1sjm h THR 206 Cb 0.34 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1sjm h THR 206 CO 0.00 0.49 0.28 0.58 0.37 0.00 0.00 175.52 177.24 1sjm h VAL 207 N 0.47 1.18 -0.76 3.16 2.07 -1.02 0.07 116.25 121.42 1sjm h VAL 207 Ca 0.04 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1sjm h VAL 207 Cb 0.93 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1sjm h VAL 207 CO 0.08 0.20 0.50 0.50 0.02 0.00 0.00 177.57 178.87 1sjm h LYS 208 N 0.77 0.96 -0.40 1.57 3.64 -1.35 -1.12 116.57 120.65 1sjm h LYS 208 Ca 0.20 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1sjm h LYS 208 Cb 0.06 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1sjm h LYS 208 CO -0.03 0.64 -0.03 0.28 -2.27 0.00 0.00 179.45 178.04 1sjm h VAL 209 N 0.99 1.27 -0.85 2.00 2.07 -1.10 -3.08 116.25 117.55 1sjm h VAL 209 Ca 0.29 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.82 1sjm h VAL 209 Cb -0.06 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1sjm h VAL 209 CO -0.08 0.36 0.50 0.24 0.02 0.00 0.00 177.57 178.61 1sjm h MET 210 N 0.55 0.84 0.00 1.57 2.86 -0.58 -1.84 114.93 118.33 1sjm h MET 210 Ca 0.11 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1sjm h MET 210 Cb 0.53 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1sjm h MET 210 CO 0.03 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.55 1sjm h ARG 211 N 0.86 0.00 0.00 1.72 3.08 -1.13 0.59 114.38 119.50 1sjm h ARG 211 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1sjm h ARG 211 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1sjm h ARG 211 CO -0.23 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.92 1sjm n THR 212 N -2.45 0.78 -1.85 2.04 -2.24 -0.69 -4.90 114.28 104.97 1sjm n THR 212 Ca 0.02 0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 1sjm n THR 212 Cb 0.24 -1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 1sjm n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sjm n LEU 213 N -2.10 -1.64 -3.91 3.22 4.77 0.20 -4.95 117.00 112.58 1sjm n LEU 213 Ca 0.03 0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 56.05 1sjm n LEU 213 Cb 0.26 -2.87 -0.15 0.00 -2.33 0.00 0.00 43.42 38.33 1sjm n LEU 213 CO 0.21 -0.81 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.21 1sjm s THR 214 N -2.85 1.66 0.56 -5.08 2.01 -1.26 -5.11 115.64 105.57 1sjm s THR 214 Ca 0.00 -1.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.01 1sjm s THR 214 Cb 0.00 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1sjm s THR 214 CO 0.00 -0.51 1.22 -2.16 -0.69 0.00 0.00 174.62 172.49 1sjm s PRO 215 N 1.24 3.17 0.21 4.92 0.04 -1.26 -4.91 135.00 138.41 1sjm s PRO 215 Ca 0.07 1.88 0.13 0.00 0.04 0.00 0.00 61.00 63.11 1sjm s PRO 215 Cb -0.18 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1sjm s PRO 215 CO -0.13 -1.06 1.33 1.79 0.04 0.00 0.00 177.00 178.97 1sjm h THR 216 N 1.19 1.09 -3.56 1.26 1.35 -1.40 -3.47 112.91 109.37 1sjm h THR 216 Ca -0.50 -2.57 -0.20 0.00 -0.55 0.00 0.00 66.41 62.58 1sjm h THR 216 Cb 1.29 2.52 -0.26 0.00 -1.73 0.00 0.00 68.15 69.97 1sjm h THR 216 CO 0.57 0.62 -0.62 -1.00 -0.25 0.00 0.00 175.52 174.84 1sjm s HIS 217 N -2.87 -0.06 -0.16 4.73 3.76 -1.15 -4.88 115.29 114.65 1sjm s HIS 217 Ca 0.02 0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1sjm s HIS 217 Cb 0.08 0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.83 1sjm s HIS 217 CO 0.77 -0.07 -0.00 0.08 -0.85 0.00 0.00 174.74 174.67 1sjm s VAL 218 N -0.17 0.70 0.13 -0.90 1.01 -0.28 -1.09 120.40 119.80 1sjm s VAL 218 Ca -0.02 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1sjm s VAL 218 Cb -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1sjm s VAL 218 CO 0.00 -0.01 -0.08 0.68 0.00 0.00 0.00 175.10 175.70 1sjm s VAL 219 N 1.80 0.91 -0.08 2.92 -7.23 -0.17 -0.73 120.40 117.82 1sjm s VAL 219 Ca 0.01 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1sjm s VAL 219 Cb -0.16 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1sjm s VAL 219 CO -0.07 -0.78 0.00 -0.36 -0.31 0.00 0.00 175.10 173.58 1sjm s PHE 220 N -3.49 3.15 -1.42 2.82 0.08 -1.26 -0.32 117.98 117.54 1sjm s PHE 220 Ca 0.15 0.18 -0.08 0.00 0.12 0.00 0.00 56.93 57.31 1sjm s PHE 220 Cb 0.04 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1sjm s PHE 220 CO -0.02 0.47 0.60 -1.71 -0.10 0.00 0.00 175.22 174.46 1sjm n ASN 221 N 2.10 -4.92 0.00 1.36 4.05 -0.89 -3.12 115.26 113.83 1sjm n ASN 221 Ca -0.18 -0.38 0.00 0.00 0.45 0.00 0.00 54.58 54.47 1sjm n ASN 221 Cb 0.54 -4.00 0.00 0.00 1.23 0.00 0.00 39.78 37.54 1sjm n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sjm n GLY 222 N -1.39 0.94 3.51 8.20 0.00 -1.04 -4.77 105.19 110.63 1sjm n GLY 222 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1sjm n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm s ALA 223 N -3.75 -1.77 0.24 4.61 0.00 -1.18 -4.70 121.76 115.20 1sjm s ALA 223 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 1sjm s ALA 223 Cb 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 23.12 23.12 1sjm s ALA 223 CO 0.00 -0.50 1.55 0.28 0.00 0.00 0.00 175.76 177.09 1sjm n VAL 224 N 0.39 0.63 -1.05 0.00 0.31 -0.13 -2.15 118.33 116.33 1sjm n VAL 224 Ca -0.15 -0.16 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 1sjm n VAL 224 Cb 0.60 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 31.79 1sjm n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sjm n GLY 225 N 2.70 0.39 0.27 2.92 0.00 -1.26 -4.85 105.19 105.35 1sjm n GLY 225 Ca 0.12 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1sjm n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm h ALA 226 N 0.00 1.74 -0.38 4.61 0.00 -1.64 -2.57 119.26 121.03 1sjm h ALA 226 Ca -0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1sjm h ALA 226 Cb 0.55 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.16 1sjm h ALA 226 CO 0.05 0.05 -0.37 1.28 0.00 0.00 0.00 179.25 180.26 1sjm n LEU 227 N -4.20 4.08 -4.65 0.00 4.77 -1.26 -4.75 117.00 110.99 1sjm n LEU 227 Ca -0.03 -4.13 -0.29 0.00 -0.03 0.00 0.00 56.01 51.53 1sjm n LEU 227 Cb 0.12 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1sjm n LEU 227 CO 0.32 1.56 -0.26 0.42 -1.33 0.00 0.00 177.39 178.10 1sjm s THR 228 N -3.71 1.37 0.00 -5.08 -4.23 -0.97 -0.75 115.64 102.27 1sjm s THR 228 Ca 0.45 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1sjm s THR 228 Cb 0.40 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1sjm s THR 228 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1sjm n GLY 229 N -1.06 3.46 0.00 3.99 0.00 -1.26 -1.22 105.19 109.10 1sjm n GLY 229 Ca -0.11 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1sjm n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjm n ASP 230 N 6.69 0.00 -0.94 1.61 10.43 -1.26 -2.30 116.55 130.78 1sjm n ASP 230 Ca 0.00 -0.04 0.08 0.00 2.57 0.00 0.00 54.79 57.41 1sjm n ASP 230 Cb 0.00 -0.29 0.26 0.00 1.84 0.00 0.00 41.12 42.93 1sjm n ASP 230 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1sjm n LYS 231 N -1.29 3.06 -1.73 -1.24 5.02 -0.35 -5.01 118.16 116.63 1sjm n LYS 231 Ca 0.11 -2.78 -0.38 0.00 -2.02 0.00 0.00 58.31 53.24 1sjm n LYS 231 Cb 0.18 -1.81 0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1sjm n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjm n ALA 232 N -0.30 1.28 -1.45 7.82 0.00 -0.97 -4.05 120.51 122.84 1sjm n ALA 232 Ca 0.21 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1sjm n ALA 232 Cb 0.86 -2.32 0.09 0.00 0.00 0.00 0.00 19.45 18.07 1sjm n ALA 232 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sjm s MET 233 N -3.09 2.25 0.11 0.00 -1.94 -0.49 -4.82 119.30 111.32 1sjm s MET 233 Ca 0.77 0.86 0.04 0.00 -1.71 0.00 0.00 55.69 55.65 1sjm s MET 233 Cb -0.40 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1sjm s MET 233 CO 0.45 -1.56 -0.11 0.95 -0.01 0.00 0.00 175.02 174.74 1sjm s THR 234 N -3.04 1.04 0.39 2.05 -4.23 -1.26 -0.39 115.64 110.19 1sjm s THR 234 Ca 0.60 -1.69 -0.15 0.00 -1.18 0.00 0.00 61.69 59.27 1sjm s THR 234 Cb -0.15 -1.43 0.05 0.00 1.34 0.00 0.00 72.50 72.31 1sjm s THR 234 CO 0.55 -0.54 0.78 0.00 -0.54 0.00 0.00 174.62 174.87 1sjm s ALA 235 N -2.44 -0.67 0.10 3.99 0.00 -0.88 -4.92 121.76 116.94 1sjm s ALA 235 Ca 0.07 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1sjm s ALA 235 Cb -0.03 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1sjm s ALA 235 CO 0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 175.76 174.65 1sjm s ALA 236 N -2.31 1.36 0.16 0.00 0.00 -1.26 -1.73 121.76 117.99 1sjm s ALA 236 Ca 0.16 -1.18 -0.34 0.00 0.00 0.00 0.00 51.96 50.61 1sjm s ALA 236 Cb -0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 23.12 22.85 1sjm s ALA 236 CO 0.12 0.13 1.52 0.28 0.00 0.00 0.00 175.76 177.81 1sjm n VAL 237 N 0.83 0.12 0.00 0.00 0.31 0.06 -1.10 118.33 118.55 1sjm n VAL 237 Ca -0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1sjm n VAL 237 Cb 0.56 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1sjm n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sjm n GLY 238 N 3.14 1.33 3.78 2.92 0.00 0.48 -4.98 105.19 111.85 1sjm n GLY 238 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1sjm n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjm s GLU 239 N -0.74 4.58 -0.27 1.61 2.12 -0.26 -4.80 118.70 120.94 1sjm s GLU 239 Ca 0.00 1.18 -0.11 0.00 0.36 0.00 0.00 54.97 56.40 1sjm s GLU 239 Cb 0.00 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1sjm s GLU 239 CO 0.00 0.54 0.18 0.15 -0.54 0.00 0.00 175.26 175.59 1sjm s LYS 240 N -1.26 3.98 -0.07 4.30 1.02 -1.26 -1.63 119.74 124.82 1sjm s LYS 240 Ca 0.38 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.10 1sjm s LYS 240 Cb -0.23 -3.61 -0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1sjm s LYS 240 CO 0.26 -0.10 -0.20 0.08 -0.92 0.00 0.00 175.35 174.47 1sjm s VAL 241 N 1.53 1.73 -0.22 3.17 1.01 0.01 -0.19 120.40 127.44 1sjm s VAL 241 Ca 0.07 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 1sjm s VAL 241 Cb -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1sjm s VAL 241 CO 0.09 0.49 0.13 -0.22 0.00 0.00 0.00 175.10 175.59 1sjm s LEU 242 N 0.24 4.09 -0.31 3.92 2.96 -0.55 -1.28 118.68 127.75 1sjm s LEU 242 Ca -0.12 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1sjm s LEU 242 Cb -0.15 -2.07 0.06 0.00 0.50 0.00 0.00 46.19 44.52 1sjm s LEU 242 CO 0.05 0.12 0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 1sjm s ILE 243 N 0.73 2.93 -0.04 6.68 1.01 0.53 -1.32 121.20 131.71 1sjm s ILE 243 Ca 0.07 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 1sjm s ILE 243 Cb -0.12 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1sjm s ILE 243 CO 0.02 -0.15 0.56 -0.69 0.00 0.00 0.00 174.94 174.67 1sjm s VAL 244 N 1.23 5.01 -0.04 2.92 1.01 -0.14 -1.43 120.40 128.97 1sjm s VAL 244 Ca -0.04 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1sjm s VAL 244 Cb -0.20 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1sjm s VAL 244 CO -0.02 0.39 -0.09 -2.28 0.00 0.00 0.00 175.10 173.10 1sjm s HIS 245 N 0.07 1.03 0.14 5.22 2.46 -0.38 -0.51 115.29 123.33 1sjm s HIS 245 Ca 0.30 -0.29 0.05 0.00 0.47 0.00 0.00 55.06 55.58 1sjm s HIS 245 Cb -0.17 -0.77 -0.04 0.00 -0.13 0.00 0.00 32.58 31.47 1sjm s HIS 245 CO 0.15 -0.15 -0.12 -1.54 -2.47 0.00 0.00 174.74 170.60 1sjm s SER 246 N 0.43 1.95 -0.27 9.88 1.04 -0.80 -0.84 113.70 125.09 1sjm s SER 246 Ca -0.07 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.42 1sjm s SER 246 Cb -0.11 -0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.12 1sjm s SER 246 CO 0.01 -0.24 0.43 -1.58 0.98 0.00 0.00 173.24 172.84 1sjm s GLN 247 N -3.34 0.42 0.28 4.02 -0.44 -0.82 -1.57 119.66 118.21 1sjm s GLN 247 Ca 0.14 0.46 0.26 0.00 -2.50 0.00 0.00 55.36 53.72 1sjm s GLN 247 Cb -0.01 -0.23 0.81 0.00 -1.64 0.00 0.00 33.01 31.95 1sjm s GLN 247 CO 0.02 -0.80 1.75 0.00 0.50 0.00 0.00 175.29 176.76 1sjm h ALA 248 N 8.14 1.00 0.00 1.58 0.00 -1.81 0.14 119.26 128.31 1sjm h ALA 248 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sjm h ALA 248 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sjm h ALA 248 CO 0.26 0.00 -0.64 -1.71 0.00 0.00 0.00 179.25 177.16 1sjm n ASN 249 N -2.45 3.20 -3.74 0.00 5.15 -1.26 -2.91 115.26 113.24 1sjm n ASN 249 Ca 0.04 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.89 1sjm n ASN 249 Cb 0.39 0.55 -0.09 0.00 -0.53 0.00 0.00 39.78 40.10 1sjm n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1sjm s ARG 250 N -1.38 0.58 0.70 1.20 3.52 -1.26 -4.66 118.95 117.64 1sjm s ARG 250 Ca 0.00 0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.61 1sjm s ARG 250 Cb 0.00 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1sjm s ARG 250 CO 0.00 -0.13 1.26 -0.25 -0.81 0.00 0.00 175.30 175.37 1sjm n ASP 251 N 2.03 1.73 -4.05 -2.12 10.43 -1.26 -3.56 116.55 119.75 1sjm n ASP 251 Ca -0.17 0.75 -0.10 0.00 2.57 0.00 0.00 54.79 57.84 1sjm n ASP 251 Cb 0.57 -1.54 -0.08 0.00 1.84 0.00 0.00 41.12 41.90 1sjm n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1sjm s THR 252 N -1.61 0.08 -0.40 -3.53 -1.32 -0.47 -4.84 115.64 103.55 1sjm s THR 252 Ca 0.80 -1.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 1sjm s THR 252 Cb -0.35 -1.96 0.16 0.00 -1.51 0.00 0.00 72.50 68.84 1sjm s THR 252 CO 0.43 -0.35 0.32 0.00 -2.21 0.00 0.00 174.62 172.81 1sjm s ARG 253 N -4.01 0.83 0.57 7.08 1.70 -1.26 -1.44 118.95 122.41 1sjm s ARG 253 Ca 0.21 -1.93 -0.19 0.00 -0.47 0.00 0.00 55.73 53.35 1sjm s ARG 253 Cb 0.05 -1.37 -0.05 0.00 -0.57 0.00 0.00 34.95 33.02 1sjm s ARG 253 CO 0.01 -1.35 1.17 -2.14 -1.08 0.00 0.00 175.30 171.92 1sjm s PRO 254 N 0.28 3.16 -0.20 3.89 0.02 -1.04 -0.82 135.00 140.29 1sjm s PRO 254 Ca 0.30 1.74 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 1sjm s PRO 254 Cb -0.02 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.59 1sjm s PRO 254 CO -0.15 -1.03 0.51 -1.58 -0.33 0.00 0.00 177.00 174.41 1sjm s HIS 255 N -1.67 -0.72 -0.46 6.54 2.46 -0.13 -1.73 115.29 119.59 1sjm s HIS 255 Ca 0.75 1.53 -0.16 0.00 0.47 0.00 0.00 55.06 57.64 1sjm s HIS 255 Cb -0.28 0.35 0.05 0.00 -0.13 0.00 0.00 32.58 32.57 1sjm s HIS 255 CO 0.30 -0.38 0.44 -1.17 -2.47 0.00 0.00 174.74 171.47 1sjm s LEU 256 N 1.22 5.29 -0.22 8.88 2.96 -1.26 -0.99 118.68 134.56 1sjm s LEU 256 Ca -0.08 -1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 52.47 1sjm s LEU 256 Cb -0.06 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1sjm s LEU 256 CO -0.12 -0.66 1.61 -0.63 -1.32 0.00 0.00 176.35 175.24 1sjm s ILE 257 N 1.94 3.70 0.00 6.68 1.01 0.12 -1.15 121.20 133.49 1sjm s ILE 257 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1sjm s ILE 257 Cb -0.21 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1sjm s ILE 257 CO 0.09 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1sjm n GLY 258 N 4.65 0.36 0.00 6.18 0.00 -1.26 -3.62 105.19 111.49 1sjm n GLY 258 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1sjm n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 259 N -2.00 6.32 3.55 -0.02 0.00 -0.30 -5.00 105.19 107.74 1sjm n GLY 259 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1sjm n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjm s HIS 260 N 0.79 0.54 -0.53 1.61 0.09 -1.26 -4.75 115.29 111.79 1sjm s HIS 260 Ca 0.00 -0.88 -0.16 0.00 -0.00 0.00 0.00 55.06 54.02 1sjm s HIS 260 Cb 0.00 0.11 0.11 0.00 -0.00 0.00 0.00 32.58 32.80 1sjm s HIS 260 CO 0.00 -1.01 0.50 0.20 -0.00 0.00 0.00 174.74 174.42 1sjm s GLY 261 N -3.07 2.05 0.17 -2.22 0.00 -0.24 -4.73 107.32 99.28 1sjm s GLY 261 Ca 0.25 -2.41 -0.13 0.00 0.00 0.00 0.00 44.72 42.43 1sjm s GLY 261 CO 0.11 1.20 1.78 -0.55 0.00 0.00 0.00 173.10 175.65 1sjm h ASP 262 N 8.89 0.72 -3.43 1.64 3.32 -1.37 -0.18 116.42 126.01 1sjm h ASP 262 Ca -0.30 -0.10 -0.45 0.00 0.02 0.00 0.00 57.03 56.20 1sjm h ASP 262 Cb 1.10 -0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.13 1sjm h ASP 262 CO 1.01 0.61 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.04 1sjm s TYR 263 N -5.84 1.05 -0.12 4.55 1.51 -0.97 -1.92 117.35 115.61 1sjm s TYR 263 Ca -0.13 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1sjm s TYR 263 Cb 0.13 -0.84 0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1sjm s TYR 263 CO 0.77 -0.24 -0.03 0.08 -1.11 0.00 0.00 175.55 175.03 1sjm s VAL 264 N 0.85 0.74 -1.15 0.71 1.01 0.38 -0.35 120.40 122.60 1sjm s VAL 264 Ca -0.12 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1sjm s VAL 264 Cb -0.15 -0.91 0.12 0.00 0.00 0.00 0.00 36.38 35.44 1sjm s VAL 264 CO 0.01 0.20 1.46 0.26 0.00 0.00 0.00 175.10 177.03 1sjm s TRP 265 N 1.81 3.09 0.32 5.22 0.51 -0.10 -0.77 118.94 129.02 1sjm s TRP 265 Ca 0.03 -1.66 0.06 0.00 -2.12 0.00 0.00 56.10 52.41 1sjm s TRP 265 Cb -0.14 -4.49 0.55 0.00 -0.81 0.00 0.00 33.47 28.59 1sjm s TRP 265 CO -0.07 -1.61 1.78 0.00 -0.51 0.00 0.00 176.95 176.54 1sjm h ALA 266 N 7.98 1.24 0.00 0.98 0.00 -1.90 -0.30 119.26 127.26 1sjm h ALA 266 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sjm h ALA 266 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sjm h ALA 266 CO 1.30 0.51 0.00 0.25 0.00 0.00 0.00 179.25 181.31 1sjm n THR 267 N -4.13 0.14 -0.93 0.00 -2.24 -1.26 -4.51 114.28 101.34 1sjm n THR 267 Ca -0.01 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1sjm n THR 267 Cb 0.39 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1sjm n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjm n GLY 268 N 1.27 0.96 3.43 3.38 0.00 -0.16 -4.75 105.19 109.31 1sjm n GLY 268 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1sjm n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjm s LYS 269 N -0.07 3.58 0.35 1.61 -0.14 -1.26 -0.41 119.74 123.40 1sjm s LYS 269 Ca 0.00 -0.54 0.26 0.00 -1.36 0.00 0.00 55.97 54.33 1sjm s LYS 269 Cb 0.00 -3.06 0.80 0.00 -1.68 0.00 0.00 37.83 33.89 1sjm s LYS 269 CO 0.00 -0.02 1.75 0.74 -0.76 0.00 0.00 175.35 177.07 1sjm h PHE 270 N 7.58 0.00 -0.00 3.18 0.05 -1.79 -2.04 116.94 123.91 1sjm h PHE 270 Ca -0.36 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.43 1sjm h PHE 270 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.13 1sjm h PHE 270 CO 0.59 0.00 -0.08 0.09 -0.18 0.00 0.00 178.31 178.73 1sjm n ASN 271 N -2.66 0.23 -4.61 2.17 3.02 -1.26 -4.62 115.26 107.51 1sjm n ASN 271 Ca 0.04 -0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 53.97 1sjm n ASN 271 Cb 0.40 -0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 1sjm n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sjm s THR 272 N -2.63 5.10 0.41 3.41 2.01 -0.77 -5.05 115.64 118.12 1sjm s THR 272 Ca 0.25 0.78 -0.26 0.00 0.31 0.00 0.00 61.69 62.77 1sjm s THR 272 Cb 0.20 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 1sjm s THR 272 CO 0.50 0.11 1.30 -2.65 -0.69 0.00 0.00 174.62 173.19 1sjm n PRO 273 N 5.46 2.04 -2.39 4.92 -0.02 -1.26 -4.84 135.00 138.91 1sjm n PRO 273 Ca -0.05 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 1sjm n PRO 273 Cb 0.50 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1sjm n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sjm s PRO 274 N -2.16 4.00 0.75 0.52 0.04 -1.26 -4.92 135.00 131.97 1sjm s PRO 274 Ca 0.59 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1sjm s PRO 274 Cb -0.51 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.55 1sjm s PRO 274 CO 0.59 -0.32 1.13 -0.51 0.04 0.00 0.00 177.00 177.93 1sjm s ASP 275 N -1.40 4.40 0.12 6.66 1.01 0.05 -4.77 116.67 122.75 1sjm s ASP 275 Ca 0.60 2.03 0.07 0.00 0.71 0.00 0.00 52.55 55.95 1sjm s ASP 275 Cb -0.26 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.08 1sjm s ASP 275 CO 0.32 -2.11 -0.16 0.68 0.21 0.00 0.00 175.17 174.12 1sjm s VAL 276 N -2.52 1.45 -1.49 -1.27 -7.23 -1.26 -0.47 120.40 107.61 1sjm s VAL 276 Ca 0.66 -1.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1sjm s VAL 276 Cb -0.21 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1sjm s VAL 276 CO 0.50 -0.34 0.50 0.47 -0.31 0.00 0.00 175.10 175.92 1sjm n ASP 277 N 0.62 -5.83 -4.75 4.85 10.43 -0.81 -4.93 116.55 116.13 1sjm n ASP 277 Ca -0.16 -0.24 -0.41 0.00 2.57 0.00 0.00 54.79 56.56 1sjm n ASP 277 Cb 0.56 -4.68 -0.04 0.00 1.84 0.00 0.00 41.12 38.80 1sjm n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1sjm s GLN 278 N -5.54 4.61 -0.18 -1.24 -1.52 -0.09 -4.84 119.66 110.86 1sjm s GLN 278 Ca 0.25 1.80 -0.24 0.00 -1.95 0.00 0.00 55.36 55.21 1sjm s GLN 278 Cb -0.11 -3.21 -0.22 0.00 -0.22 0.00 0.00 33.01 29.25 1sjm s GLN 278 CO 0.31 0.14 0.44 1.05 -0.25 0.00 0.00 175.29 176.98 1sjm h GLU 279 N 4.28 0.00 -3.20 2.91 4.11 -1.91 -0.62 114.58 120.14 1sjm h GLU 279 Ca -0.46 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.72 1sjm h GLU 279 Cb 1.21 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.14 1sjm h GLU 279 CO 0.69 0.97 -0.60 0.99 0.07 0.00 0.00 179.01 181.14 1sjm s THR 280 N -2.29 -0.09 0.46 -1.06 2.01 -1.26 -4.34 115.64 109.06 1sjm s THR 280 Ca -0.24 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1sjm s THR 280 Cb 0.02 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1sjm s THR 280 CO 0.62 0.09 0.34 -1.66 -0.69 0.00 0.00 174.62 173.32 1sjm s TRP 281 N 1.39 2.31 -0.06 4.92 -2.14 -0.71 -4.97 118.94 119.68 1sjm s TRP 281 Ca -0.07 -0.64 0.01 0.00 2.66 0.00 0.00 56.10 58.06 1sjm s TRP 281 Cb -0.12 -2.03 0.02 0.00 -3.10 0.00 0.00 33.47 28.24 1sjm s TRP 281 CO -0.06 -0.17 -0.06 0.12 -2.66 0.00 0.00 176.95 174.12 1sjm s PHE 282 N -2.61 0.99 -0.20 1.66 5.36 -1.26 -2.49 117.98 119.44 1sjm s PHE 282 Ca 0.42 -0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 1sjm s PHE 282 Cb -0.01 -0.86 0.04 0.00 -0.34 0.00 0.00 43.02 41.84 1sjm s PHE 282 CO 0.24 -0.29 -0.15 0.42 -1.46 0.00 0.00 175.22 173.99 1sjm s ILE 283 N 1.19 1.92 0.54 3.12 1.01 -0.52 -4.72 121.20 123.73 1sjm s ILE 283 Ca -0.06 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.32 1sjm s ILE 283 Cb -0.14 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 1sjm s ILE 283 CO -0.02 0.30 1.09 -2.16 0.00 0.00 0.00 174.94 174.15 1sjm s PRO 284 N 1.30 3.46 0.20 2.79 0.04 -1.26 -1.37 135.00 140.16 1sjm s PRO 284 Ca 0.00 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.17 1sjm s PRO 284 Cb -0.15 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 1sjm s PRO 284 CO -0.10 -0.73 1.31 0.41 0.04 0.00 0.00 177.00 177.94 1sjm n GLY 285 N -0.19 0.48 0.86 0.56 0.00 -1.23 -2.10 105.19 103.57 1sjm n GLY 285 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1sjm n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 286 N 2.21 0.74 3.30 -0.02 0.00 0.47 -4.73 105.19 107.15 1sjm n GLY 286 Ca 0.14 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1sjm n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm s ALA 287 N -2.00 -0.09 0.18 4.61 0.00 -0.89 -4.75 121.76 118.82 1sjm s ALA 287 Ca 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1sjm s ALA 287 Cb 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1sjm s ALA 287 CO 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 175.76 175.03 1sjm s ALA 288 N -3.93 2.86 0.26 0.00 0.00 -1.26 -1.95 121.76 117.73 1sjm s ALA 288 Ca 0.13 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1sjm s ALA 288 Cb 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1sjm s ALA 288 CO -0.04 0.46 0.10 0.20 0.00 0.00 0.00 175.76 176.49 1sjm s GLY 289 N -2.77 1.75 -0.07 0.00 0.00 -0.02 -3.07 107.32 103.13 1sjm s GLY 289 Ca 0.24 -1.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.05 1sjm s GLY 289 CO 0.14 -1.59 0.18 0.00 0.00 0.00 0.00 173.10 171.83 1sjm s ALA 290 N -3.76 -0.42 -0.04 3.20 0.00 -0.96 -1.25 121.76 118.53 1sjm s ALA 290 Ca 0.38 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.95 1sjm s ALA 290 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1sjm s ALA 290 CO 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 175.76 175.60 1sjm s ALA 291 N 0.34 1.67 -0.15 0.00 0.00 -0.51 -0.92 121.76 122.20 1sjm s ALA 291 Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1sjm s ALA 291 Cb -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1sjm s ALA 291 CO -0.01 0.34 -0.08 0.12 0.00 0.00 0.00 175.76 176.12 1sjm s PHE 292 N -0.15 2.91 -0.02 0.00 2.19 0.53 -0.35 117.98 123.09 1sjm s PHE 292 Ca -0.00 -0.51 -0.02 0.00 0.33 0.00 0.00 56.93 56.73 1sjm s PHE 292 Cb -0.11 -1.91 0.01 0.00 -1.31 0.00 0.00 43.02 39.70 1sjm s PHE 292 CO 0.01 -0.15 0.06 -0.47 1.83 0.00 0.00 175.22 176.50 1sjm s TYR 293 N 0.42 -0.06 -0.33 10.12 5.04 -0.40 -1.01 117.35 131.12 1sjm s TYR 293 Ca -0.07 0.17 -0.12 0.00 -2.44 0.00 0.00 57.07 54.61 1sjm s TYR 293 Cb -0.15 -0.00 -0.02 0.00 0.35 0.00 0.00 41.96 42.14 1sjm s TYR 293 CO 0.04 -0.04 0.22 0.99 -1.34 0.00 0.00 175.55 175.42 1sjm s THR 294 N 0.17 5.17 0.26 4.34 2.01 -1.26 -0.81 115.64 125.51 1sjm s THR 294 Ca -0.01 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1sjm s THR 294 Cb -0.02 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1sjm s THR 294 CO -0.00 0.01 1.39 -0.36 -0.69 0.00 0.00 174.62 174.96 1sjm s PHE 295 N 1.70 3.07 -0.01 4.92 0.40 -0.64 -4.88 117.98 122.54 1sjm s PHE 295 Ca 0.06 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.54 1sjm s PHE 295 Cb -0.17 -3.75 -0.00 0.00 0.51 0.00 0.00 43.02 39.61 1sjm s PHE 295 CO 0.10 -2.34 0.01 1.04 0.70 0.00 0.00 175.22 174.73 1sjm n GLN 296 N 2.08 5.21 -4.14 0.44 1.13 -1.26 -0.39 117.38 120.46 1sjm n GLN 296 Ca 0.05 -0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.96 1sjm n GLN 296 Cb 0.41 -0.63 -0.14 0.00 0.11 0.00 0.00 30.24 29.99 1sjm n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1sjm s GLN 297 N -1.27 0.44 0.82 -1.09 -1.52 -1.26 -4.62 119.66 111.15 1sjm s GLN 297 Ca 0.00 -0.30 -0.12 0.00 -1.95 0.00 0.00 55.36 52.99 1sjm s GLN 297 Cb 0.00 -0.38 0.09 0.00 -0.22 0.00 0.00 33.01 32.50 1sjm s GLN 297 CO 0.01 0.10 1.18 -1.25 -0.25 0.00 0.00 175.29 175.08 1sjm s PRO 298 N -0.41 1.83 0.00 2.91 0.04 -1.26 -4.77 135.00 133.34 1sjm s PRO 298 Ca -0.00 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1sjm s PRO 298 Cb -0.04 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1sjm s PRO 298 CO -0.00 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.79 1sjm n GLY 299 N -3.33 -0.11 3.74 0.56 0.00 0.21 -4.94 105.19 101.33 1sjm n GLY 299 Ca 0.09 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1sjm n GLY 299 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1sjm s ILE 300 N 0.00 4.16 0.13 -0.61 1.10 -1.26 -1.31 121.20 123.42 1sjm s ILE 300 Ca 0.00 1.97 0.09 0.00 -0.51 0.00 0.00 60.65 62.20 1sjm s ILE 300 Cb 0.00 -4.26 -0.04 0.00 0.15 0.00 0.00 42.46 38.32 1sjm s ILE 300 CO 0.00 0.39 -0.20 -0.31 -2.11 0.00 0.00 174.94 172.70 1sjm s TYR 301 N -0.58 1.86 0.09 3.50 1.51 -0.10 -4.99 117.35 118.64 1sjm s TYR 301 Ca 0.45 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.12 1sjm s TYR 301 Cb -0.26 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1sjm s TYR 301 CO 0.32 0.28 0.02 0.00 -1.11 0.00 0.00 175.55 175.06 1sjm s ALA 302 N -1.55 3.35 -0.12 3.71 0.00 -1.24 -1.31 121.76 124.61 1sjm s ALA 302 Ca 0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1sjm s ALA 302 Cb -0.08 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1sjm s ALA 302 CO 0.06 0.70 -0.08 -0.47 0.00 0.00 0.00 175.76 175.97 1sjm s TYR 303 N -1.35 1.54 0.09 0.00 5.04 0.28 0.13 117.35 123.08 1sjm s TYR 303 Ca 0.27 -0.80 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1sjm s TYR 303 Cb -0.12 -1.26 -0.04 0.00 0.35 0.00 0.00 41.96 40.89 1sjm s TYR 303 CO 0.19 -0.53 -0.05 0.14 -1.34 0.00 0.00 175.55 173.96 1sjm s VAL 304 N 1.69 0.57 -0.21 3.14 -7.23 -0.16 -0.43 120.40 117.77 1sjm s VAL 304 Ca 0.05 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.02 1sjm s VAL 304 Cb -0.13 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1sjm s VAL 304 CO -0.08 -0.88 1.22 0.21 -0.31 0.00 0.00 175.10 175.26 1sjm s ASN 305 N -3.02 6.91 -0.10 4.85 3.84 -1.02 -0.95 114.94 125.45 1sjm s ASN 305 Ca 0.12 1.51 0.03 0.00 0.21 0.00 0.00 52.86 54.72 1sjm s ASN 305 Cb 0.06 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.45 1sjm s ASN 305 CO -0.05 -0.82 1.04 1.57 -2.79 0.00 0.00 177.10 176.04 1sjm n HIS 306 N 6.78 0.74 -2.71 0.43 -0.00 -0.00 -3.85 115.22 116.61 1sjm n HIS 306 Ca 0.14 -0.50 -0.42 0.00 -0.00 0.00 0.00 57.72 56.94 1sjm n HIS 306 Cb 0.45 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.99 30.09 1sjm n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1sjm s ASN 307 N -0.00 6.31 0.54 0.26 3.84 -1.26 -4.92 114.94 119.72 1sjm s ASN 307 Ca 0.16 -0.32 0.34 0.00 0.21 0.00 0.00 52.86 53.26 1sjm s ASN 307 Cb 0.13 -2.49 1.49 0.00 -0.55 0.00 0.00 41.25 39.82 1sjm s ASN 307 CO 0.04 -1.45 2.02 -0.07 -2.79 0.00 0.00 177.10 174.84 1sjm h LEU 308 N 11.71 0.00 -0.16 3.21 3.38 -1.99 -0.04 115.31 131.42 1sjm h LEU 308 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1sjm h LEU 308 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1sjm h LEU 308 CO 1.17 0.00 -0.07 0.40 0.09 0.00 0.00 178.44 180.03 1sjm h ILE 309 N 0.00 1.31 -0.87 1.22 2.04 -1.91 -0.39 117.51 118.92 1sjm h ILE 309 Ca 0.00 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1sjm h ILE 309 Cb 0.43 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1sjm h ILE 309 CO 0.00 0.33 0.56 -0.33 0.00 0.00 0.00 178.15 178.71 1sjm h GLU 310 N 0.02 1.09 0.13 2.37 5.08 -1.42 0.27 114.58 122.11 1sjm h GLU 310 Ca 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1sjm h GLU 310 Cb 0.54 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1sjm h GLU 310 CO 0.02 0.72 -0.06 0.00 -1.00 0.00 0.00 179.01 178.69 1sjm h ALA 311 N 1.34 -0.17 0.00 3.43 0.00 -1.00 -1.46 119.26 121.40 1sjm h ALA 311 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sjm h ALA 311 Cb -0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sjm h ALA 311 CO -0.10 -0.42 -0.61 1.19 0.00 0.00 0.00 179.25 179.31 1sjm n PHE 312 N -5.01 0.00 -0.09 0.00 3.01 -0.16 -2.06 117.46 113.15 1sjm n PHE 312 Ca -0.09 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.26 1sjm n PHE 312 Cb 0.22 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.58 1sjm n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sjm n GLU 313 N -1.31 0.72 -0.00 -1.08 -0.58 -0.01 -4.81 120.64 113.58 1sjm n GLU 313 Ca 0.02 0.08 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1sjm n GLU 313 Cb 0.19 -1.38 -0.10 0.00 -0.57 0.00 0.00 31.44 29.58 1sjm n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sjm n LEU 314 N -2.94 0.83 0.00 -4.62 4.77 -0.67 -5.01 117.00 109.36 1sjm n LEU 314 Ca -0.31 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1sjm n LEU 314 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1sjm n LEU 314 CO 0.22 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1sjm n GLY 315 N 1.42 0.86 2.73 -0.72 0.00 -0.69 -1.12 105.19 107.67 1sjm n GLY 315 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1sjm n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm n ALA 316 N 0.00 5.91 -3.74 4.61 0.00 0.09 -4.28 120.51 123.09 1sjm n ALA 316 Ca 0.00 -4.33 -0.14 0.00 0.00 0.00 0.00 53.44 48.97 1sjm n ALA 316 Cb 0.00 -2.75 -0.14 0.00 0.00 0.00 0.00 19.45 16.56 1sjm n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjm s ALA 317 N -1.03 -0.29 0.38 0.00 0.00 -1.24 -2.44 121.76 117.13 1sjm s ALA 317 Ca 0.43 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.19 1sjm s ALA 317 Cb 0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 1sjm s ALA 317 CO -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 175.76 175.53 1sjm s ALA 318 N 1.21 3.07 0.13 0.00 0.00 0.43 -4.53 121.76 122.06 1sjm s ALA 318 Ca -0.09 -2.21 0.09 0.00 0.00 0.00 0.00 51.96 49.75 1sjm s ALA 318 Cb -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1sjm s ALA 318 CO -0.06 -0.03 -0.22 -1.01 0.00 0.00 0.00 175.76 174.43 1sjm s HIS 319 N -2.67 1.96 -0.05 0.00 3.76 0.07 -0.56 115.29 117.79 1sjm s HIS 319 Ca 0.34 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.87 1sjm s HIS 319 Cb 0.07 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.69 1sjm s HIS 319 CO 0.17 0.28 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.13 1sjm s PHE 320 N -1.34 2.66 -0.23 1.40 0.08 -0.42 -1.39 117.98 118.73 1sjm s PHE 320 Ca 0.11 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 1sjm s PHE 320 Cb -0.09 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1sjm s PHE 320 CO 0.06 0.10 0.01 0.15 -0.10 0.00 0.00 175.22 175.44 1sjm s LYS 321 N -0.58 3.53 -0.12 0.44 1.02 0.47 -0.93 119.74 123.57 1sjm s LYS 321 Ca 0.08 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1sjm s LYS 321 Cb -0.11 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1sjm s LYS 321 CO 0.01 -0.15 -0.20 0.08 -0.92 0.00 0.00 175.35 174.17 1sjm s VAL 322 N 1.44 1.87 0.46 3.17 1.01 -0.43 -2.08 120.40 125.84 1sjm s VAL 322 Ca 0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1sjm s VAL 322 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1sjm s VAL 322 CO 0.00 0.51 0.72 0.42 0.00 0.00 0.00 175.10 176.76 1sjm s THR 323 N 0.77 4.44 -2.31 3.92 -4.23 -0.70 -0.62 115.64 116.91 1sjm s THR 323 Ca -0.09 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1sjm s THR 323 Cb -0.16 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1sjm s THR 323 CO 0.00 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1sjm n GLY 324 N -2.16 0.59 3.75 3.99 0.00 -1.26 -0.76 105.19 109.34 1sjm n GLY 324 Ca 0.00 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 1sjm n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjm s GLU 325 N -0.92 4.22 0.34 1.61 2.12 -1.26 -4.65 118.70 120.15 1sjm s GLU 325 Ca 0.00 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 1sjm s GLU 325 Cb 0.00 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 30.91 1sjm s GLU 325 CO 0.00 0.31 1.33 -0.46 -0.54 0.00 0.00 175.26 175.90 1sjm s TRP 326 N 0.16 2.99 -0.41 5.30 -0.11 -1.26 -4.43 118.94 121.18 1sjm s TRP 326 Ca 0.23 1.39 -0.05 0.00 1.22 0.00 0.00 56.10 58.89 1sjm s TRP 326 Cb -0.15 -3.72 0.10 0.00 -1.50 0.00 0.00 33.47 28.20 1sjm s TRP 326 CO 0.10 -1.98 0.22 1.21 -4.62 0.00 0.00 176.95 171.88 1sjm s ASN 327 N -0.45 5.39 0.45 5.86 3.84 -1.26 -4.96 114.94 123.79 1sjm s ASN 327 Ca 0.49 -1.81 0.29 0.00 0.21 0.00 0.00 52.86 52.04 1sjm s ASN 327 Cb -0.40 -1.89 1.05 0.00 -0.55 0.00 0.00 41.25 39.46 1sjm s ASN 327 CO 0.54 -0.54 1.84 0.44 -2.79 0.00 0.00 177.10 176.59 1sjm h ASP 328 N 8.20 0.00 -0.07 -4.21 5.19 -1.96 -2.64 116.42 120.93 1sjm h ASP 328 Ca -0.18 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1sjm h ASP 328 Cb 1.06 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 1sjm h ASP 328 CO 0.72 0.00 0.02 -0.78 -3.12 0.00 0.00 179.24 176.08 1sjm h ASP 329 N 0.00 0.11 -0.62 6.45 -0.00 -2.02 -3.17 116.42 117.18 1sjm h ASP 329 Ca 0.00 -0.24 -0.09 0.00 -0.00 0.00 0.00 57.03 56.71 1sjm h ASP 329 Cb 0.60 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.87 1sjm h ASP 329 CO 0.00 0.32 0.05 -0.07 -0.00 0.00 0.00 179.24 179.54 1sjm h LEU 330 N -0.10 1.03 -7.01 2.28 3.38 -1.94 -3.45 115.31 109.50 1sjm h LEU 330 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1sjm h LEU 330 Cb 0.25 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.52 1sjm h LEU 330 CO 0.00 1.05 0.05 -0.32 0.09 0.00 0.00 178.44 179.32 1sjm s MET 331 N -5.11 0.75 -0.01 1.13 0.00 -1.02 -5.14 119.30 109.91 1sjm s MET 331 Ca -0.12 1.10 -0.09 0.00 0.00 0.00 0.00 55.69 56.58 1sjm s MET 331 Cb 0.14 0.26 0.01 0.00 0.00 0.00 0.00 34.83 35.24 1sjm s MET 331 CO 0.85 -0.13 0.19 -0.08 0.00 0.00 0.00 175.02 175.85 1sjm s THR 332 N 1.03 0.07 -0.60 10.11 -1.32 -1.25 -4.06 115.64 119.61 1sjm s THR 332 Ca -0.05 -0.55 -0.24 0.00 -1.21 0.00 0.00 61.69 59.63 1sjm s THR 332 Cb -0.05 -0.46 0.05 0.00 -1.51 0.00 0.00 72.50 70.53 1sjm s THR 332 CO -0.10 -0.30 0.99 -0.55 -2.21 0.00 0.00 174.62 172.45 1sjm s SER 333 N -1.19 6.27 0.12 8.08 0.15 -1.26 -4.89 113.70 120.98 1sjm s SER 333 Ca -0.13 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 55.84 1sjm s SER 333 Cb -0.06 -2.45 -0.06 0.00 -1.71 0.00 0.00 66.02 61.74 1sjm s SER 333 CO 0.02 -1.36 1.46 0.58 1.20 0.00 0.00 173.24 175.13 1sjm h VAL 334 N 6.01 1.29 -3.24 4.45 2.07 -2.02 -3.41 116.25 121.40 1sjm h VAL 334 Ca -0.27 -1.47 -0.46 0.00 0.82 0.00 0.00 66.70 65.32 1sjm h VAL 334 Cb 1.07 1.45 -0.39 0.00 -1.52 0.00 0.00 31.29 31.89 1sjm h VAL 334 CO 1.14 0.48 -0.76 -0.22 0.02 0.00 0.00 177.57 178.23 1sjm s LEU 335 N -8.97 0.73 0.63 2.57 2.96 -1.26 -5.14 118.68 110.19 1sjm s LEU 335 Ca -0.12 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 1sjm s LEU 335 Cb 0.10 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 1sjm s LEU 335 CO 0.85 -0.26 1.18 0.00 -1.32 0.00 0.00 176.35 176.80 1sjm s ALA 336 N 1.97 2.46 -0.30 5.97 0.00 -1.26 -4.88 121.76 125.72 1sjm s ALA 336 Ca 0.03 0.87 -0.44 0.00 0.00 0.00 0.00 51.96 52.42 1sjm s ALA 336 Cb -0.14 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 19.36 1sjm s ALA 336 CO -0.07 -1.28 1.43 -2.30 0.00 0.00 0.00 175.76 173.54 1sjm n PRO 337 N -1.94 0.13 -3.44 0.00 -0.02 -1.26 -4.93 135.00 123.54 1sjm n PRO 337 Ca 0.13 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 1sjm n PRO 337 Cb 0.50 -1.57 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1sjm n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjm s SER 338 N 1.96 -0.55 0.00 2.55 1.04 -1.26 -5.29 113.70 112.15 1sjm s SER 338 Ca 0.99 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1sjm s SER 338 Cb -1.37 0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1sjm s SER 338 CO 0.71 -0.88 0.19 0.61 0.98 0.00 0.00 173.24 174.86