#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jaj s PRO -3 N 0.00 4.25 0.22 1.61 0.04 -1.26 -5.06 135.00 134.80 2jaj s PRO -3 Ca 0.00 2.37 0.09 0.00 0.04 0.00 0.00 61.00 63.50 2jaj s PRO -3 Cb 0.00 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 2jaj s PRO -3 CO 0.00 -0.36 -0.17 -0.51 0.04 0.00 0.00 177.00 176.00 2jaj s LEU -2 N -1.58 2.55 0.00 -3.56 1.43 -1.26 -5.08 118.68 111.18 2jaj s LEU -2 Ca 0.53 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2jaj s LEU -2 Cb -0.43 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2jaj s LEU -2 CO 0.54 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.66 2jaj n GLY -1 N -0.35 -1.34 0.04 -3.19 0.00 -1.26 -4.69 105.19 94.40 2jaj n GLY -1 Ca -0.08 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 2jaj n GLY -1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jaj n MET 0 N 0.00 1.41 -1.07 1.61 2.00 -1.26 -5.12 117.12 114.69 2jaj n MET 0 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 57.70 57.44 2jaj n MET 0 Cb 0.00 -1.17 0.19 0.00 0.00 0.00 0.00 33.22 32.25 2jaj n MET 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jaj s ALA 1 N -2.16 0.66 0.00 3.04 0.00 -1.26 -4.97 121.76 117.07 2jaj s ALA 1 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2jaj s ALA 1 Cb 0.02 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2jaj s ALA 1 CO 0.22 -3.06 0.00 0.41 0.00 0.00 0.00 175.76 173.33 2jaj n GLY 2 N -0.80 1.13 0.12 0.00 0.00 -1.26 -4.68 105.19 99.70 2jaj n GLY 2 Ca 0.05 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.14 2jaj n GLY 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jaj h LEU 3 N 0.00 0.00 0.00 0.99 3.38 -1.96 -3.50 115.31 114.22 2jaj h LEU 3 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jaj h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jaj h LEU 3 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2jaj n GLY 4 N 1.25 0.95 3.62 0.83 0.00 -1.26 -4.17 105.19 106.42 2jaj n GLY 4 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2jaj n GLY 4 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jaj s HIS 5 N -1.72 -0.06 -0.47 1.61 -3.43 -1.26 -4.96 115.29 105.00 2jaj s HIS 5 Ca 0.00 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 2jaj s HIS 5 Cb 0.00 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2jaj s HIS 5 CO 0.00 -0.31 0.73 -2.30 -2.00 0.00 0.00 174.74 170.86 2jaj n PRO 6 N -0.43 0.00 -0.07 -0.38 -0.02 -1.26 -0.53 135.00 132.31 2jaj n PRO 6 Ca -0.07 0.23 0.01 0.00 -2.02 0.00 0.00 63.50 61.64 2jaj n PRO 6 Cb 0.62 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.35 2jaj n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jaj n ALA 7 N -1.23 1.44 -1.51 3.55 0.00 -1.26 -4.99 120.51 116.51 2jaj n ALA 7 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 53.44 52.29 2jaj n ALA 7 Cb 0.26 -0.08 0.07 0.00 0.00 0.00 0.00 19.45 19.70 2jaj n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jaj s ALA 8 N -0.40 2.27 0.19 0.00 0.00 0.31 -4.94 121.76 119.19 2jaj s ALA 8 Ca 0.02 0.95 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 2jaj s ALA 8 Cb 0.02 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 2jaj s ALA 8 CO 0.00 -1.65 1.64 0.12 0.00 0.00 0.00 175.76 175.88 2jaj s PHE 9 N -1.82 2.97 0.00 0.00 5.36 -1.26 -2.54 117.98 120.69 2jaj s PHE 9 Ca 0.76 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 2jaj s PHE 9 Cb -0.30 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.34 2jaj s PHE 9 CO 0.41 -3.86 0.00 0.41 -1.46 0.00 0.00 175.22 170.73 2jaj n GLY 10 N 3.77 0.75 3.72 13.12 0.00 -1.26 -4.36 105.19 120.92 2jaj n GLY 10 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2jaj n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jaj s ARG 11 N -0.72 4.53 0.04 1.61 6.06 -1.05 -1.14 118.95 128.28 2jaj s ARG 11 Ca 0.00 1.23 0.01 0.00 -2.50 0.00 0.00 55.73 54.47 2jaj s ARG 11 Cb 0.00 -3.44 -0.02 0.00 0.06 0.00 0.00 34.95 31.54 2jaj s ARG 11 CO 0.00 0.02 -0.06 0.00 -2.50 0.00 0.00 175.30 172.77 2jaj s ALA 12 N 0.81 0.42 -0.11 6.12 0.00 -1.26 -4.33 121.76 123.40 2jaj s ALA 12 Ca 0.46 -0.74 0.15 0.00 0.00 0.00 0.00 51.96 51.83 2jaj s ALA 12 Cb -0.20 0.10 -0.23 0.00 0.00 0.00 0.00 23.12 22.79 2jaj s ALA 12 CO 0.25 -0.10 0.38 0.25 0.00 0.00 0.00 175.76 176.54 2jaj n THR 13 N 1.40 0.00 -3.99 0.00 -2.24 0.17 -4.90 114.28 104.71 2jaj n THR 13 Ca -0.22 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 2jaj n THR 13 Cb 0.55 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 2jaj n THR 13 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jaj s HIS 14 N -2.97 0.29 -0.04 4.78 3.76 -0.39 -1.38 115.29 119.34 2jaj s HIS 14 Ca -0.04 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.31 2jaj s HIS 14 Cb 0.10 -0.21 -0.00 0.00 1.11 0.00 0.00 32.58 33.57 2jaj s HIS 14 CO 0.63 -0.22 -0.17 0.00 -0.85 0.00 0.00 174.74 174.13 2jaj s ALA 15 N -1.81 1.51 -0.20 -1.40 0.00 0.15 -1.48 121.76 118.53 2jaj s ALA 15 Ca -0.13 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2jaj s ALA 15 Cb -0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2jaj s ALA 15 CO -0.02 0.27 0.10 0.08 0.00 0.00 0.00 175.76 176.18 2jaj s VAL 16 N 0.08 5.03 0.43 0.00 1.01 0.45 -0.54 120.40 126.85 2jaj s VAL 16 Ca -0.05 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2jaj s VAL 16 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2jaj s VAL 16 CO 0.02 0.43 0.04 0.68 0.00 0.00 0.00 175.10 176.28 2jaj s VAL 17 N 0.55 1.21 -0.09 2.92 -7.23 0.10 -1.36 120.40 116.51 2jaj s VAL 17 Ca 0.05 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 2jaj s VAL 17 Cb -0.12 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.35 2jaj s VAL 17 CO 0.01 0.00 0.23 -0.60 -0.31 0.00 0.00 175.10 174.42 2jaj s ARG 18 N -3.80 0.23 0.32 4.82 3.52 -1.26 -1.15 118.95 121.62 2jaj s ARG 18 Ca 0.22 0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.92 2jaj s ARG 18 Cb 0.05 0.02 -0.10 0.00 -1.56 0.00 0.00 34.95 33.36 2jaj s ARG 18 CO 0.11 -0.09 1.30 0.00 -0.81 0.00 0.00 175.30 175.82 2jaj s ALA 19 N 0.58 3.50 0.31 6.12 0.00 0.25 -4.41 121.76 128.12 2jaj s ALA 19 Ca -0.04 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.89 2jaj s ALA 19 Cb -0.05 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 2jaj s ALA 19 CO -0.03 -0.62 0.98 -0.48 0.00 0.00 0.00 175.76 175.61 2jaj s LEU 20 N -1.67 4.39 0.42 0.00 0.05 -1.26 -3.75 118.68 116.87 2jaj s LEU 20 Ca 0.49 1.95 -0.01 0.00 0.05 0.00 0.00 54.13 56.61 2jaj s LEU 20 Cb -0.39 -3.91 -0.02 0.00 -2.05 0.00 0.00 46.19 39.81 2jaj s LEU 20 CO 0.52 -0.11 0.66 -2.16 -0.55 0.00 0.00 176.35 174.71 2jaj s PRO 21 N -1.88 3.34 0.37 1.48 0.04 -1.26 -4.83 135.00 132.26 2jaj s PRO 21 Ca 0.49 -0.24 0.09 0.00 0.04 0.00 0.00 61.00 61.38 2jaj s PRO 21 Cb -0.22 -2.54 0.73 0.00 0.04 0.00 0.00 34.50 32.51 2jaj s PRO 21 CO 0.28 -0.10 1.89 1.05 0.04 0.00 0.00 177.00 180.16 2jaj h GLU 22 N 0.47 0.28 0.00 4.56 9.09 -1.94 -1.73 114.58 125.32 2jaj h GLU 22 Ca -0.48 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 58.86 2jaj h GLU 22 Cb 1.23 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2jaj h GLU 22 CO 0.60 0.42 0.23 0.66 0.05 0.00 0.00 179.01 180.97 2jaj h SER 23 N 0.27 0.00 -0.66 3.06 4.64 -1.94 -2.29 113.55 116.63 2jaj h SER 23 Ca 0.05 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 2jaj h SER 23 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 2jaj h SER 23 CO 0.02 0.00 0.40 0.25 -0.87 0.00 0.00 176.83 176.63 2jaj h LEU 24 N 0.00 0.64 -0.70 5.97 6.46 -1.47 -1.22 115.31 124.98 2jaj h LEU 24 Ca 0.00 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 57.92 2jaj h LEU 24 Cb 0.45 -0.13 -0.12 0.00 -0.73 0.00 0.00 40.66 40.14 2jaj h LEU 24 CO 0.00 0.43 0.04 1.23 -0.62 0.00 0.00 178.44 179.53 2jaj h GLY 25 N 0.77 0.82 0.09 3.75 0.00 -1.62 -2.05 103.07 104.84 2jaj h GLY 25 Ca 0.27 0.07 -0.36 0.00 0.00 0.00 0.00 47.33 47.31 2jaj h GLY 25 CO -0.12 -0.24 -2.33 -1.06 0.00 0.00 0.00 176.54 172.79 2jaj n GLN 26 N -5.28 0.68 -0.00 4.80 1.13 -1.21 -4.65 117.38 112.85 2jaj n GLN 26 Ca 0.12 0.02 0.03 0.00 -1.94 0.00 0.00 57.00 55.24 2jaj n GLN 26 Cb 0.43 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 29.19 2jaj n GLN 26 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jaj n HIS 27 N -2.79 0.00 -1.76 1.08 8.25 -0.47 -4.99 115.22 114.55 2jaj n HIS 27 Ca -0.32 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.74 2jaj n HIS 27 Cb 1.15 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 32.22 2jaj n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jaj n ALA 28 N -1.39 2.05 -1.74 -1.41 0.00 -0.78 -4.83 120.51 112.41 2jaj n ALA 28 Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 2jaj n ALA 28 Cb 0.13 -2.40 0.05 0.00 0.00 0.00 0.00 19.45 17.23 2jaj n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jaj s LEU 29 N -2.78 3.62 0.02 0.00 1.43 -1.26 -5.01 118.68 114.70 2jaj s LEU 29 Ca 0.62 2.48 -0.28 0.00 -1.03 0.00 0.00 54.13 55.92 2jaj s LEU 29 Cb -0.44 -4.61 0.10 0.00 0.03 0.00 0.00 46.19 41.27 2jaj s LEU 29 CO 0.57 -1.77 0.89 0.00 0.23 0.00 0.00 176.35 176.26 2jaj s ARG 30 N -3.36 0.88 0.00 1.70 1.70 -1.26 -4.76 118.95 113.85 2jaj s ARG 30 Ca 0.80 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 55.70 2jaj s ARG 30 Cb -0.33 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2jaj s ARG 30 CO 0.36 -0.39 0.00 -1.13 -1.08 0.00 0.00 175.30 173.06 2jaj n SER 31 N -0.28 2.61 -4.59 -2.89 3.41 -1.26 -5.01 113.62 105.61 2jaj n SER 31 Ca -0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.18 2jaj n SER 31 Cb 0.62 0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 64.93 2jaj n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jaj s ALA 32 N -1.14 3.19 -0.11 7.33 0.00 -1.26 -5.21 121.76 124.56 2jaj s ALA 32 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2jaj s ALA 32 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 2jaj s ALA 32 CO 0.00 0.33 1.47 0.15 0.00 0.00 0.00 175.76 177.72 2jaj s LYS 33 N -0.06 4.20 -0.11 0.00 -0.14 -1.26 -5.02 119.74 117.36 2jaj s LYS 33 Ca 0.03 1.94 0.00 0.00 -1.36 0.00 0.00 55.97 56.59 2jaj s LYS 33 Cb -0.13 -3.88 -0.02 0.00 -1.68 0.00 0.00 37.83 32.12 2jaj s LYS 33 CO 0.02 -0.78 -0.11 -2.00 -0.76 0.00 0.00 175.35 171.72 2jaj s GLU 36 N 3.79 3.13 -0.31 1.68 2.12 -1.26 -5.21 118.70 122.63 2jaj s GLU 36 Ca 0.65 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 55.26 2jaj s GLU 36 Cb -0.28 -2.62 0.01 0.00 0.26 0.00 0.00 34.13 31.50 2jaj s GLU 36 CO 0.23 0.39 0.12 0.08 -0.54 0.00 0.00 175.26 175.54 2jaj s VAL 37 N -0.10 4.24 -0.66 3.70 1.01 -1.26 -5.04 120.40 122.28 2jaj s VAL 37 Ca -0.01 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 2jaj s VAL 37 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2jaj s VAL 37 CO 0.03 0.03 1.36 -0.62 0.00 0.00 0.00 175.10 175.90 2jaj s ASP 38 N 1.54 6.10 0.21 3.32 -1.08 -1.26 -4.88 116.67 120.63 2jaj s ASP 38 Ca 0.03 -0.13 -0.09 0.00 -0.52 0.00 0.00 52.55 51.85 2jaj s ASP 38 Cb -0.17 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 38.90 2jaj s ASP 38 CO 0.04 -1.82 1.83 0.58 0.52 0.00 0.00 175.17 176.33 2jaj h VAL 39 N 6.21 1.24 -0.21 1.11 2.07 -1.96 -1.84 116.25 122.88 2jaj h VAL 39 Ca -0.27 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 2jaj h VAL 39 Cb 1.07 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2jaj h VAL 39 CO 1.24 0.27 -0.38 0.00 0.02 0.00 0.00 177.57 178.72 2jaj h ALA 40 N 1.23 0.96 -0.28 1.67 0.00 -1.99 0.35 119.26 121.21 2jaj h ALA 40 Ca 0.28 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2jaj h ALA 40 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jaj h ALA 40 CO -0.04 0.62 -0.25 -0.09 0.00 0.00 0.00 179.25 179.48 2jaj h ARG 41 N 0.39 0.54 -0.35 0.00 2.43 -1.93 -1.83 114.38 113.63 2jaj h ARG 41 Ca 0.04 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.90 2jaj h ARG 41 Cb 0.84 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2jaj h ARG 41 CO 0.07 0.74 -0.20 0.00 -1.51 0.00 0.00 179.97 179.07 2jaj h ALA 42 N 1.26 0.49 -0.21 2.80 0.00 -0.45 0.53 119.26 123.68 2jaj h ALA 42 Ca 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2jaj h ALA 42 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jaj h ALA 42 CO 0.05 0.45 0.02 0.93 0.00 0.00 0.00 179.25 180.69 2jaj h GLU 43 N 0.53 0.29 -0.01 0.00 5.08 -0.27 0.10 114.58 120.30 2jaj h GLU 43 Ca 0.07 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2jaj h GLU 43 Cb 0.75 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2jaj h GLU 43 CO 0.06 0.31 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.23 2jaj h ARG 44 N 0.29 0.06 -0.86 2.33 9.65 -0.98 -1.76 114.38 123.12 2jaj h ARG 44 Ca 0.07 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2jaj h ARG 44 Cb 0.17 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 2jaj h ARG 44 CO 0.00 0.70 0.56 1.96 2.80 0.00 0.00 179.97 185.99 2jaj h GLN 45 N -0.56 1.06 0.02 0.20 4.20 -0.68 -1.38 115.11 117.97 2jaj h GLN 45 Ca -0.00 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.67 2jaj h GLN 45 Cb 0.71 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 2jaj h GLN 45 CO 0.01 0.70 -0.20 1.25 -0.67 0.00 0.00 178.83 179.93 2jaj h HIS 46 N 1.09 -0.52 -0.46 2.96 2.76 -0.84 -2.06 115.15 118.09 2jaj h HIS 46 Ca 0.34 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 2jaj h HIS 46 Cb -0.02 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2jaj h HIS 46 CO -0.02 -0.28 0.30 1.96 -1.30 0.00 0.00 177.93 178.59 2jaj h GLN 47 N -0.33 0.57 -0.40 5.26 4.20 -0.51 0.04 115.11 123.93 2jaj h GLN 47 Ca 0.05 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2jaj h GLN 47 Cb 0.39 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2jaj h GLN 47 CO -0.17 0.38 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.01 2jaj h LEU 48 N 0.59 0.90 0.61 1.46 3.38 -1.08 -0.83 115.31 120.33 2jaj h LEU 48 Ca 0.17 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2jaj h LEU 48 Cb -0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2jaj h LEU 48 CO -0.04 1.12 -0.37 0.22 0.09 0.00 0.00 178.44 179.46 2jaj h TYR 49 N 0.74 -0.99 -0.86 1.13 3.20 -0.34 -0.36 116.97 119.50 2jaj h TYR 49 Ca 0.08 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.16 2jaj h TYR 49 Cb 0.84 0.35 -0.13 0.00 1.54 0.00 0.00 36.73 39.33 2jaj h TYR 49 CO 0.05 -0.55 0.28 0.28 -1.64 0.00 0.00 178.16 176.58 2jaj h VAL 50 N -0.92 0.41 -0.85 1.81 2.07 -1.11 0.19 116.25 117.85 2jaj h VAL 50 Ca -0.08 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.45 2jaj h VAL 50 Cb 0.73 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2jaj h VAL 50 CO 0.09 0.05 0.55 1.23 0.02 0.00 0.00 177.57 179.51 2jaj h GLY 51 N 0.29 1.13 0.59 2.17 0.00 -0.72 -0.08 103.07 106.45 2jaj h GLY 51 Ca 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2jaj h GLY 51 CO -0.58 0.14 -0.07 -2.08 0.00 0.00 0.00 176.54 173.96 2jaj h VAL 52 N 0.73 1.01 -0.13 4.60 2.07 0.11 -1.46 116.25 123.19 2jaj h VAL 52 Ca 0.40 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2jaj h VAL 52 Cb 0.56 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2jaj h VAL 52 CO -0.17 0.19 0.04 -0.07 0.02 0.00 0.00 177.57 177.58 2jaj h LEU 53 N -0.61 0.15 0.00 2.57 3.38 -1.18 0.30 115.31 119.92 2jaj h LEU 53 Ca -0.02 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 2jaj h LEU 53 Cb 0.46 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2jaj h LEU 53 CO 0.03 0.15 -2.22 0.61 0.09 0.00 0.00 178.44 177.11 2jaj n GLY 54 N -1.40 -0.37 0.13 0.83 0.00 -0.07 -0.49 105.19 103.83 2jaj n GLY 54 Ca -0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2jaj n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jaj n SER 55 N -4.02 2.06 -0.04 1.61 3.41 -0.89 -3.46 113.62 112.30 2jaj n SER 55 Ca -0.43 0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2jaj n SER 55 Cb 0.80 -0.71 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2jaj n SER 55 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jaj h LYS 56 N -0.03 -0.02 0.00 4.33 3.64 -1.19 -3.39 116.57 119.91 2jaj h LYS 56 Ca -0.48 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 2jaj h LYS 56 Cb 1.95 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 2jaj h LYS 56 CO 0.00 -0.01 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.87 2jaj h LEU 57 N -0.92 0.00 0.00 5.20 3.38 -0.58 -3.48 115.31 118.91 2jaj h LEU 57 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jaj h LEU 57 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jaj h LEU 57 CO 0.00 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.37 2jaj n GLY 58 N 1.14 0.83 3.72 0.83 0.00 -1.15 -4.93 105.19 105.63 2jaj n GLY 58 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2jaj n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jaj s LEU 59 N 0.00 2.46 -0.12 0.99 1.43 0.35 -4.95 118.68 118.84 2jaj s LEU 59 Ca 0.00 1.64 -0.24 0.00 -1.03 0.00 0.00 54.13 54.50 2jaj s LEU 59 Cb 0.00 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 2jaj s LEU 59 CO 0.00 -2.57 0.76 -1.10 0.23 0.00 0.00 176.35 173.66 2jaj s GLN 60 N -4.88 4.35 -0.16 1.70 -0.21 -0.48 -4.37 119.66 115.61 2jaj s GLN 60 Ca 0.63 0.92 -0.08 0.00 0.02 0.00 0.00 55.36 56.85 2jaj s GLN 60 Cb -0.18 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 2jaj s GLN 60 CO 0.57 -0.14 0.12 0.08 -2.12 0.00 0.00 175.29 173.80 2jaj s VAL 61 N 1.50 5.33 -0.25 1.09 1.01 -1.26 0.34 120.40 128.17 2jaj s VAL 61 Ca 0.37 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 2jaj s VAL 61 Cb -0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2jaj s VAL 61 CO 0.15 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 175.16 2jaj s VAL 62 N -0.25 4.34 -0.33 2.92 1.01 0.30 -4.95 120.40 123.44 2jaj s VAL 62 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2jaj s VAL 62 Cb -0.12 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.28 2jaj s VAL 62 CO 0.01 0.34 0.09 -1.61 0.00 0.00 0.00 175.10 173.92 2jaj s GLU 63 N 1.60 2.55 0.36 2.72 2.02 -1.26 0.03 118.70 126.70 2jaj s GLU 63 Ca 0.06 -1.24 -0.15 0.00 0.02 0.00 0.00 54.97 53.66 2jaj s GLU 63 Cb -0.15 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.58 2jaj s GLU 63 CO 0.04 -0.68 0.78 -0.51 0.02 0.00 0.00 175.26 174.91 2jaj s LEU 64 N 1.35 4.00 0.76 1.80 1.43 -0.30 -4.91 118.68 122.80 2jaj s LEU 64 Ca -0.02 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.31 2jaj s LEU 64 Cb -0.20 -4.16 0.05 0.00 0.03 0.00 0.00 46.19 41.90 2jaj s LEU 64 CO 0.02 -0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 2jaj s PRO 65 N -3.16 2.38 0.32 1.29 0.04 -1.26 -0.58 135.00 134.03 2jaj s PRO 65 Ca 0.55 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 2jaj s PRO 65 Cb -0.10 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2jaj s PRO 65 CO 0.19 -1.55 0.84 0.00 0.04 0.00 0.00 177.00 176.52 2jaj s ALA 66 N -2.89 3.25 -0.22 8.56 0.00 -1.25 -4.38 121.76 124.85 2jaj s ALA 66 Ca 0.61 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 2jaj s ALA 66 Cb -0.17 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2jaj s ALA 66 CO 0.55 0.24 -0.08 0.34 0.00 0.00 0.00 175.76 176.81 2jaj s ASP 67 N -1.88 4.05 0.35 0.00 -1.08 -1.26 -4.97 116.67 111.89 2jaj s ASP 67 Ca 0.52 -0.51 0.05 0.00 -0.52 0.00 0.00 52.55 52.08 2jaj s ASP 67 Cb -0.14 -1.67 0.64 0.00 -1.46 0.00 0.00 42.92 40.29 2jaj s ASP 67 CO 0.19 -0.03 1.89 -0.33 0.52 0.00 0.00 175.17 177.41 2jaj h GLU 68 N 8.06 0.49 0.00 4.34 4.39 -1.97 -1.72 114.58 128.18 2jaj h GLU 68 Ca -0.41 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2jaj h GLU 68 Cb 1.15 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2jaj h GLU 68 CO 0.61 0.52 0.00 -1.13 -1.16 0.00 0.00 179.01 177.84 2jaj n SER 69 N -4.29 0.00 -3.34 1.42 3.41 -1.26 -4.05 113.62 105.51 2jaj n SER 69 Ca 0.01 -1.50 -0.26 0.00 -0.26 0.00 0.00 58.87 56.87 2jaj n SER 69 Cb 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 2jaj n SER 69 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jaj n LEU 70 N -0.63 0.45 0.28 1.04 4.77 -0.65 -5.01 117.00 117.26 2jaj n LEU 70 Ca 0.06 -4.68 0.15 0.00 -0.03 0.00 0.00 56.01 51.51 2jaj n LEU 70 Cb 0.03 0.38 0.82 0.00 -2.33 0.00 0.00 43.42 42.32 2jaj n LEU 70 CO 0.04 1.97 1.05 -0.65 -1.33 0.00 0.00 177.39 178.47 2jaj h PRO 71 N 4.74 0.00 -0.49 3.23 0.11 -1.73 -0.75 132.00 137.11 2jaj h PRO 71 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2jaj h PRO 71 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2jaj h PRO 71 CO 0.48 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 2jaj n ASP 72 N -2.71 3.34 0.22 -2.05 8.00 -1.26 -4.15 116.55 117.94 2jaj n ASP 72 Ca -0.02 -1.97 0.15 0.00 0.71 0.00 0.00 54.79 53.66 2jaj n ASP 72 Cb 0.23 -0.32 0.76 0.00 -0.02 0.00 0.00 41.12 41.77 2jaj n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jaj h VAL 74 N 0.00 1.07 -0.64 0.00 3.04 -1.77 -3.33 116.25 114.62 2jaj h VAL 74 Ca 0.00 -0.26 -0.62 0.00 -1.01 0.00 0.00 66.70 64.81 2jaj h VAL 74 Cb 0.13 0.98 -0.08 0.00 -2.01 0.00 0.00 31.29 30.32 2jaj h VAL 74 CO 0.00 0.09 2.28 0.49 -1.01 0.00 0.00 177.57 179.42 2jaj n PHE 75 N -4.45 2.11 -0.08 3.17 0.99 -0.20 -4.39 117.46 114.60 2jaj n PHE 75 Ca -0.01 -2.64 0.25 0.00 -0.00 0.00 0.00 57.45 55.04 2jaj n PHE 75 Cb 0.14 -1.96 0.71 0.00 -1.00 0.00 0.00 39.48 37.37 2jaj n PHE 75 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2jaj h VAL 76 N 2.57 0.59 -0.59 -4.37 -1.51 -1.65 -2.67 116.25 108.62 2jaj h VAL 76 Ca 0.66 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 66.21 2jaj h VAL 76 Cb 0.49 0.63 -0.06 0.00 -2.13 0.00 0.00 31.29 30.21 2jaj h VAL 76 CO 1.35 0.00 0.25 -0.08 -1.23 0.00 0.00 177.57 177.86 2jaj h GLU 77 N 0.00 0.45 -0.06 5.19 4.81 -1.70 -2.17 114.58 121.09 2jaj h GLU 77 Ca 0.34 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 2jaj h GLU 77 Cb 1.39 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2jaj h GLU 77 CO -0.00 0.30 0.10 -0.44 -0.73 0.00 0.00 179.01 178.23 2jaj h ASP 78 N 0.46 0.00 0.35 1.04 3.32 -1.74 -2.93 116.42 116.92 2jaj h ASP 78 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2jaj h ASP 78 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2jaj h ASP 78 CO -0.26 0.00 -0.67 1.33 -1.72 0.00 0.00 179.24 177.93 2jaj n VAL 79 N -3.57 0.01 -3.74 -1.35 0.24 -0.82 -0.77 118.33 108.33 2jaj n VAL 79 Ca -0.01 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 2jaj n VAL 79 Cb 0.19 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.91 2jaj n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jaj s ALA 80 N -3.01 -0.82 -0.16 2.33 0.00 -1.11 -1.24 121.76 117.75 2jaj s ALA 80 Ca 0.10 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 2jaj s ALA 80 Cb 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2jaj s ALA 80 CO 0.75 -0.18 -0.13 0.08 0.00 0.00 0.00 175.76 176.28 2jaj s VAL 81 N 0.59 2.84 -0.17 0.00 1.01 -0.15 -4.75 120.40 119.77 2jaj s VAL 81 Ca -0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2jaj s VAL 81 Cb -0.05 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2jaj s VAL 81 CO -0.04 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 2jaj s VAL 82 N 0.85 3.26 -0.09 2.92 1.01 -1.26 0.10 120.40 127.20 2jaj s VAL 82 Ca -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2jaj s VAL 82 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2jaj s VAL 82 CO -0.00 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 2jaj n GLU 84 N 4.34 0.00 -0.12 0.00 1.02 -1.26 -0.25 120.64 124.37 2jaj n GLU 84 Ca -0.18 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.08 2jaj n GLU 84 Cb 0.51 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 32.13 2jaj n GLU 84 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2jaj n GLU 85 N 6.55 2.37 -4.00 3.49 0.28 -1.26 -4.65 120.64 123.43 2jaj n GLU 85 Ca 0.00 -2.04 -0.35 0.00 -0.16 0.00 0.00 57.16 54.60 2jaj n GLU 85 Cb 0.00 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.30 2jaj n GLU 85 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2jaj s THR 86 N -1.70 5.03 -0.28 3.84 2.01 0.66 -0.19 115.64 125.01 2jaj s THR 86 Ca 0.35 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 2jaj s THR 86 Cb 0.22 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 69.55 2jaj s THR 86 CO 0.31 0.54 -0.04 0.00 -0.69 0.00 0.00 174.62 174.75 2jaj s ALA 87 N -0.36 2.74 -0.54 7.40 0.00 0.12 -0.13 121.76 130.99 2jaj s ALA 87 Ca 0.10 -1.65 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 2jaj s ALA 87 Cb -0.12 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.23 2jaj s ALA 87 CO 0.02 -1.09 1.00 -1.17 0.00 0.00 0.00 175.76 174.51 2jaj s LEU 88 N 1.26 3.94 -0.22 0.00 2.96 0.29 -0.34 118.68 126.57 2jaj s LEU 88 Ca -0.04 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 53.44 2jaj s LEU 88 Cb -0.19 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2jaj s LEU 88 CO -0.03 -1.25 1.30 -0.63 -1.32 0.00 0.00 176.35 174.43 2jaj s ILE 89 N 4.13 4.18 0.92 6.68 -1.09 0.18 -0.97 121.20 135.23 2jaj s ILE 89 Ca 0.35 1.39 -0.12 0.00 -2.23 0.00 0.00 60.65 60.03 2jaj s ILE 89 Cb -0.11 -4.04 0.20 0.00 -1.58 0.00 0.00 42.46 36.93 2jaj s ILE 89 CO 0.22 -0.28 1.26 0.42 -1.23 0.00 0.00 174.94 175.33 2jaj s THR 90 N 3.95 2.02 -0.45 2.92 -4.23 -0.38 -0.80 115.64 118.67 2jaj s THR 90 Ca 0.56 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 2jaj s THR 90 Cb -0.20 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 70.91 2jaj s THR 90 CO 0.19 0.00 0.23 -0.60 -0.54 0.00 0.00 174.62 173.90 2jaj s ARG 91 N -5.74 1.48 0.40 3.99 3.52 -1.24 -4.56 118.95 116.81 2jaj s ARG 91 Ca 0.73 -2.14 -0.23 0.00 -0.13 0.00 0.00 55.73 53.96 2jaj s ARG 91 Cb -0.03 -2.67 -0.13 0.00 -1.56 0.00 0.00 34.95 30.56 2jaj s ARG 91 CO 0.51 -1.12 0.65 -2.30 -0.81 0.00 0.00 175.30 172.23 2jaj n PRO 92 N 3.51 0.71 0.29 5.12 -0.02 -1.21 -0.52 135.00 142.88 2jaj n PRO 92 Ca 0.07 0.26 0.18 0.00 -2.02 0.00 0.00 63.50 61.99 2jaj n PRO 92 Cb 0.34 -1.59 0.79 0.00 -0.02 0.00 0.00 33.50 33.03 2jaj n PRO 92 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2jaj h GLY 93 N 1.00 0.00 -7.41 -1.23 0.00 -1.75 -3.40 103.07 90.29 2jaj h GLY 93 Ca -0.40 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.21 2jaj h GLY 93 CO 0.53 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.72 2jaj s ALA 94 N -3.77 3.50 0.50 3.60 0.00 -1.26 -4.87 121.76 119.46 2jaj s ALA 94 Ca -0.00 -1.83 0.27 0.00 0.00 0.00 0.00 51.96 50.39 2jaj s ALA 94 Cb 0.10 -2.99 1.36 0.00 0.00 0.00 0.00 23.12 21.59 2jaj s ALA 94 CO 0.52 -1.59 1.90 -1.35 0.00 0.00 0.00 175.76 175.24 2jaj h PRO 95 N 8.70 0.11 0.00 0.00 0.11 -2.00 0.11 132.00 139.03 2jaj h PRO 95 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2jaj h PRO 95 Cb 1.11 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jaj h PRO 95 CO 0.80 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 2jaj n SER 96 N -4.35 0.20 -0.75 -2.05 3.41 -1.26 -2.96 113.62 105.86 2jaj n SER 96 Ca 0.17 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2jaj n SER 96 Cb 0.84 -0.59 0.26 0.00 -0.26 0.00 0.00 64.21 64.46 2jaj n SER 96 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jaj n ARG 97 N -1.72 2.00 0.10 4.33 1.74 0.37 -4.55 116.66 118.93 2jaj n ARG 97 Ca 0.04 -1.50 0.13 0.00 -0.77 0.00 0.00 57.85 55.75 2jaj n ARG 97 Cb 0.21 -1.47 0.42 0.00 -1.02 0.00 0.00 32.46 30.60 2jaj n ARG 97 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jaj n ARG 98 N 0.81 0.25 0.03 5.56 1.74 -1.16 -1.83 116.66 122.06 2jaj n ARG 98 Ca 0.16 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.56 2jaj n ARG 98 Cb 0.50 -1.79 0.47 0.00 -1.02 0.00 0.00 32.46 30.61 2jaj n ARG 98 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2jaj n LYS 99 N -2.23 0.05 0.24 5.56 5.02 -1.26 -3.34 118.16 122.20 2jaj n LYS 99 Ca 0.06 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 2jaj n LYS 99 Cb 0.42 -1.58 0.59 0.00 -0.02 0.00 0.00 35.03 34.45 2jaj n LYS 99 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jaj h GLU 100 N 0.00 0.00 0.00 1.97 5.08 -1.70 -2.96 114.58 116.97 2jaj h GLU 100 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2jaj h GLU 100 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2jaj h GLU 100 CO 0.00 0.19 -0.21 -0.39 -1.00 0.00 0.00 179.01 177.60 2jaj h VAL 101 N 0.00 0.85 0.71 3.13 -1.51 -1.76 -3.17 116.25 114.50 2jaj h VAL 101 Ca -0.00 -0.83 -0.03 0.00 -1.23 0.00 0.00 66.70 64.60 2jaj h VAL 101 Cb 0.52 1.49 0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2jaj h VAL 101 CO 0.02 0.21 -0.34 0.44 -1.23 0.00 0.00 177.57 176.67 2jaj h ASP 102 N 0.00 -0.81 -0.31 4.19 3.32 -1.76 0.97 116.42 122.02 2jaj h ASP 102 Ca -0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 2jaj h ASP 102 Cb 0.47 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2jaj h ASP 102 CO 0.03 -0.56 0.12 -0.03 -1.72 0.00 0.00 179.24 177.07 2jaj h MET 103 N -0.99 0.25 -0.50 3.56 4.05 -1.75 -2.80 114.93 116.75 2jaj h MET 103 Ca -0.10 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2jaj h MET 103 Cb 0.74 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.43 2jaj h MET 103 CO 0.16 0.17 0.21 1.98 0.23 0.00 0.00 176.91 179.66 2jaj h MET 104 N 0.26 0.40 -0.80 0.39 1.85 -1.51 -1.77 114.93 113.75 2jaj h MET 104 Ca 0.14 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.23 2jaj h MET 104 Cb 0.09 -0.09 -0.05 0.00 0.43 0.00 0.00 31.60 31.99 2jaj h MET 104 CO -0.13 0.26 0.51 -0.22 -0.40 0.00 0.00 176.91 176.93 2jaj h LYS 105 N 0.41 0.97 -0.72 0.39 3.64 -0.71 -1.70 116.57 118.86 2jaj h LYS 105 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2jaj h LYS 105 Cb 0.21 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2jaj h LYS 105 CO -0.21 0.64 0.45 0.93 -2.27 0.00 0.00 179.45 179.00 2jaj h GLU 106 N 1.00 0.96 -0.81 1.90 3.07 -1.20 -2.57 114.58 116.93 2jaj h GLU 106 Ca 0.32 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 59.17 2jaj h GLU 106 Cb 0.00 -0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 27.65 2jaj h GLU 106 CO -0.11 0.66 0.49 0.00 -1.40 0.00 0.00 179.01 178.65 2jaj h ALA 107 N 1.24 1.11 0.00 3.43 0.00 -0.56 -3.05 119.26 121.43 2jaj h ALA 107 Ca 0.26 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 2jaj h ALA 107 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2jaj h ALA 107 CO -0.05 0.22 -1.08 -0.07 0.00 0.00 0.00 179.25 178.27 2jaj h LEU 108 N 0.90 0.00 0.83 0.00 3.38 -1.23 -3.08 115.31 116.10 2jaj h LEU 108 Ca 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 2jaj h LEU 108 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jaj h LEU 108 CO -0.18 0.79 -0.48 -0.33 0.09 0.00 0.00 178.44 178.33 2jaj h GLU 109 N 0.00 -1.18 -1.07 1.13 5.08 -1.47 -2.39 114.58 114.68 2jaj h GLU 109 Ca -0.09 0.08 0.32 0.00 -1.00 0.00 0.00 59.36 58.67 2jaj h GLU 109 Cb 1.68 0.27 -0.13 0.00 0.50 0.00 0.00 28.75 31.07 2jaj h GLU 109 CO 0.09 -0.78 0.65 0.87 -1.00 0.00 0.00 179.01 178.84 2jaj h LYS 110 N -1.22 0.31 -0.00 2.33 6.56 -1.62 0.75 116.57 123.68 2jaj h LYS 110 Ca -0.11 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2jaj h LYS 110 Cb 0.97 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2jaj h LYS 110 CO 0.13 0.21 0.00 1.28 -2.06 0.00 0.00 179.45 179.00 2jaj n LEU 111 N -4.86 0.01 -0.40 2.94 4.77 -1.06 -4.89 117.00 113.51 2jaj n LEU 111 Ca 0.31 -0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 2jaj n LEU 111 Cb 1.02 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.09 2jaj n LEU 111 CO 0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 177.39 176.17 2jaj n GLN 112 N -0.77 -1.13 -1.25 3.23 6.02 0.26 -4.97 117.38 118.76 2jaj n GLN 112 Ca 0.13 0.57 -0.31 0.00 -0.01 0.00 0.00 57.00 57.38 2jaj n GLN 112 Cb 0.06 -4.57 0.10 0.00 1.02 0.00 0.00 30.24 26.85 2jaj n GLN 112 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jaj s LEU 113 N -1.19 3.06 -0.20 1.08 1.43 -0.96 -5.01 118.68 116.90 2jaj s LEU 113 Ca 0.00 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 2jaj s LEU 113 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2jaj s LEU 113 CO 0.00 -2.15 0.45 0.20 0.23 0.00 0.00 176.35 175.09 2jaj s ASN 114 N -3.14 6.50 -0.31 2.29 0.01 0.73 -4.69 114.94 116.33 2jaj s ASN 114 Ca 0.63 0.59 -0.11 0.00 -0.71 0.00 0.00 52.86 53.27 2jaj s ASN 114 Cb -0.19 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 2jaj s ASN 114 CO 0.54 -0.12 0.18 -0.63 -1.51 0.00 0.00 177.10 175.56 2jaj s ILE 115 N 1.45 4.90 -0.23 0.60 1.01 -1.26 0.13 121.20 127.79 2jaj s ILE 115 Ca 0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2jaj s ILE 115 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2jaj s ILE 115 CO 0.09 0.10 0.09 -0.69 0.00 0.00 0.00 174.94 174.52 2jaj s VAL 116 N 1.67 4.69 -0.21 2.92 1.01 0.54 -4.98 120.40 126.04 2jaj s VAL 116 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2jaj s VAL 116 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2jaj s VAL 116 CO 0.08 0.37 0.08 -1.61 0.00 0.00 0.00 175.10 174.02 2jaj s GLU 117 N 1.15 3.91 -0.53 2.72 2.02 -1.26 0.47 118.70 127.17 2jaj s GLU 117 Ca 0.05 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.39 2jaj s GLU 117 Cb -0.14 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.82 2jaj s GLU 117 CO 0.04 0.13 1.35 1.41 0.02 0.00 0.00 175.26 178.21 2jaj s MET 118 N 0.77 3.42 0.00 1.61 -2.45 0.02 -4.81 119.30 117.86 2jaj s MET 118 Ca 0.04 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 2jaj s MET 118 Cb -0.13 -4.07 0.00 0.00 1.25 0.00 0.00 34.83 31.88 2jaj s MET 118 CO 0.02 -1.78 0.05 1.63 1.05 0.00 0.00 175.02 175.99 2jaj n LYS 119 N 8.45 5.30 -1.58 4.11 4.01 -1.26 -4.44 118.16 132.75 2jaj n LYS 119 Ca 0.12 -0.05 -0.40 0.00 -0.51 0.00 0.00 58.31 57.47 2jaj n LYS 119 Cb 0.49 -0.49 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 2jaj n LYS 119 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jaj n ASP 120 N -0.77 2.84 0.00 4.39 -0.08 -1.26 -4.80 116.55 116.87 2jaj n ASP 120 Ca 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2jaj n ASP 120 Cb 0.00 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 41.89 2jaj n ASP 120 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jaj n GLU 121 N 8.87 0.00 0.00 -0.67 1.02 -1.26 0.04 120.64 128.65 2jaj n GLU 121 Ca 0.33 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2jaj n GLU 121 Cb 0.49 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2jaj n GLU 121 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jaj n ASN 122 N -0.82 1.49 -4.62 1.62 3.02 -1.26 -5.03 115.26 109.66 2jaj n ASN 122 Ca 0.00 -1.53 -0.33 0.00 -0.03 0.00 0.00 54.58 52.69 2jaj n ASN 122 Cb 0.11 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 2jaj n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jaj s ALA 123 N -0.53 3.09 -0.00 5.41 0.00 0.11 -4.75 121.76 125.10 2jaj s ALA 123 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2jaj s ALA 123 Cb 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 2jaj s ALA 123 CO 0.00 0.60 -0.01 0.95 0.00 0.00 0.00 175.76 177.30 2jaj s THR 124 N -0.93 0.09 -0.11 0.00 -4.23 -1.26 -4.83 115.64 104.37 2jaj s THR 124 Ca 0.15 -0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.44 2jaj s THR 124 Cb -0.11 -0.09 0.04 0.00 1.34 0.00 0.00 72.50 73.68 2jaj s THR 124 CO 0.05 0.02 0.42 -0.22 -0.54 0.00 0.00 174.62 174.35 2jaj s LEU 125 N -0.04 0.41 -0.21 4.79 0.20 0.32 -1.17 118.68 122.97 2jaj s LEU 125 Ca 0.00 0.65 -0.00 0.00 0.69 0.00 0.00 54.13 55.47 2jaj s LEU 125 Cb -0.01 1.50 0.02 0.00 -0.43 0.00 0.00 46.19 47.28 2jaj s LEU 125 CO -0.00 -0.26 -0.13 -1.81 -0.29 0.00 0.00 176.35 173.86 2jaj s ASP 126 N -0.29 3.73 0.61 3.68 1.11 -1.26 -3.36 116.67 120.90 2jaj s ASP 126 Ca -0.04 -0.69 0.25 0.00 0.18 0.00 0.00 52.55 52.25 2jaj s ASP 126 Cb -0.03 -1.58 1.12 0.00 1.07 0.00 0.00 42.92 43.49 2jaj s ASP 126 CO 0.02 -0.04 1.56 1.23 1.18 0.00 0.00 175.17 179.12 2jaj h GLY 127 N 7.98 0.00 2.00 0.21 0.00 -1.04 1.05 103.07 113.27 2jaj h GLY 127 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2jaj h GLY 127 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 2jaj n GLY 128 N -1.57 -1.27 0.13 4.60 0.00 -1.26 -1.91 105.19 103.92 2jaj n GLY 128 Ca 0.13 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2jaj n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jaj h ASP 129 N 0.00 0.00 -3.56 1.61 3.32 0.79 -2.95 116.42 115.64 2jaj h ASP 129 Ca 0.00 -0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2jaj h ASP 129 Cb 0.39 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.82 2jaj h ASP 129 CO 0.00 0.00 -0.24 -0.69 -1.72 0.00 0.00 179.24 176.59 2jaj s VAL 130 N -3.13 5.21 -0.29 -1.35 1.01 -0.80 -1.18 120.40 119.86 2jaj s VAL 130 Ca 0.10 0.62 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 2jaj s VAL 130 Cb 0.11 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.81 2jaj s VAL 130 CO 0.61 0.23 0.05 -0.22 0.00 0.00 0.00 175.10 175.78 2jaj s LEU 131 N 1.51 3.81 -0.28 3.92 2.96 0.59 -4.92 118.68 126.28 2jaj s LEU 131 Ca 0.17 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 53.09 2jaj s LEU 131 Cb -0.15 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2jaj s LEU 131 CO 0.08 -0.21 0.23 0.12 -1.32 0.00 0.00 176.35 175.25 2jaj s PHE 132 N 1.43 3.23 -0.62 5.38 5.36 -1.26 0.52 117.98 132.01 2jaj s PHE 132 Ca 0.01 0.17 0.24 0.00 -0.96 0.00 0.00 56.93 56.39 2jaj s PHE 132 Cb -0.18 -2.42 0.35 0.00 -0.34 0.00 0.00 43.02 40.43 2jaj s PHE 132 CO 0.01 -0.18 1.34 1.79 -1.46 0.00 0.00 175.22 176.72 2jaj h THR 133 N 5.38 0.00 0.00 0.12 1.35 -1.38 -3.46 112.91 114.91 2jaj h THR 133 Ca -0.34 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2jaj h THR 133 Cb 1.18 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2jaj h THR 133 CO 0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2jaj n GLY 134 N 1.32 2.78 0.04 5.82 0.00 -1.26 -4.68 105.19 109.21 2jaj n GLY 134 Ca 0.03 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.54 2jaj n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jaj n ARG 135 N 0.00 0.21 0.00 1.61 1.74 -1.26 -5.05 116.66 113.91 2jaj n ARG 135 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2jaj n ARG 135 Cb 0.00 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2jaj n ARG 135 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2jaj n GLU 136 N -1.91 0.00 -3.28 5.56 0.28 -1.26 -4.69 120.64 115.35 2jaj n GLU 136 Ca 0.04 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.71 2jaj n GLU 136 Cb 0.41 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 2jaj n GLU 136 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2jaj s PHE 137 N -2.00 3.42 0.04 -1.84 0.40 0.17 -0.86 117.98 117.31 2jaj s PHE 137 Ca 0.00 1.06 0.07 0.00 -0.60 0.00 0.00 56.93 57.46 2jaj s PHE 137 Cb 0.00 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 2jaj s PHE 137 CO 0.00 0.20 -0.21 -0.06 0.70 0.00 0.00 175.22 175.85 2jaj s PHE 138 N -1.86 1.81 -0.06 0.36 0.40 0.18 -2.17 117.98 116.65 2jaj s PHE 138 Ca 0.50 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.44 2jaj s PHE 138 Cb -0.11 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.36 2jaj s PHE 138 CO 0.19 0.09 0.02 0.08 0.70 0.00 0.00 175.22 176.30 2jaj s VAL 139 N -0.79 0.19 0.15 -0.44 1.01 0.09 -0.30 120.40 120.30 2jaj s VAL 139 Ca 0.07 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 2jaj s VAL 139 Cb -0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 2jaj s VAL 139 CO 0.02 0.22 1.44 -0.83 0.00 0.00 0.00 175.10 175.95 2jaj s GLY 140 N 1.94 1.92 -0.27 4.51 0.00 -0.32 -0.55 107.32 114.54 2jaj s GLY 140 Ca 0.03 1.21 -0.20 0.00 0.00 0.00 0.00 44.72 45.76 2jaj s GLY 140 CO -0.04 2.40 0.62 1.08 0.00 0.00 0.00 173.10 177.17 2jaj s LEU 141 N 0.88 4.08 0.36 0.66 1.02 0.38 -4.63 118.68 121.42 2jaj s LEU 141 Ca 0.65 0.64 0.01 0.00 0.02 0.00 0.00 54.13 55.44 2jaj s LEU 141 Cb -0.39 -2.84 -0.00 0.00 0.02 0.00 0.00 46.19 42.98 2jaj s LEU 141 CO 0.32 -0.39 0.45 -0.94 0.02 0.00 0.00 176.35 175.81 2jaj s SER 142 N 1.51 1.23 0.51 2.29 1.04 0.20 -1.36 113.70 119.12 2jaj s SER 142 Ca 0.26 -1.60 0.21 0.00 0.48 0.00 0.00 55.95 55.30 2jaj s SER 142 Cb -0.15 0.66 1.29 0.00 0.10 0.00 0.00 66.02 67.92 2jaj s SER 142 CO 0.09 -1.28 2.01 0.07 0.98 0.00 0.00 173.24 175.11 2jaj h LYS 143 N 2.08 0.09 0.00 4.02 2.10 -1.92 -3.20 116.57 119.74 2jaj h LYS 143 Ca -0.27 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.18 2jaj h LYS 143 Cb 1.24 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 32.51 2jaj h LYS 143 CO 0.38 0.06 -1.93 2.89 -2.00 0.00 0.00 179.45 178.85 2jaj n ARG 144 N -4.43 1.31 -3.99 0.07 1.85 -1.26 -4.91 116.66 105.30 2jaj n ARG 144 Ca 0.08 -0.04 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 2jaj n ARG 144 Cb 0.48 -1.38 -0.15 0.00 -1.05 0.00 0.00 32.46 30.37 2jaj n ARG 144 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jaj s THR 145 N -2.55 2.65 0.00 8.89 2.01 -1.21 -3.36 115.64 122.08 2jaj s THR 145 Ca -0.07 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 60.73 2jaj s THR 145 Cb 0.06 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.17 2jaj s THR 145 CO 0.61 0.14 0.00 -0.46 -0.69 0.00 0.00 174.62 174.22 2jaj n ASN 146 N 4.61 0.00 -0.06 3.53 6.94 -0.32 -0.62 115.26 129.34 2jaj n ASN 146 Ca -0.16 -0.54 -0.22 0.00 -0.02 0.00 0.00 54.58 53.64 2jaj n ASN 146 Cb 0.46 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.75 2jaj n ASN 146 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2jaj n GLN 147 N -0.54 0.67 0.18 -3.83 -0.06 -1.26 -3.06 117.38 109.47 2jaj n GLN 147 Ca 0.00 0.37 0.18 0.00 -2.00 0.00 0.00 57.00 55.55 2jaj n GLN 147 Cb 0.00 -1.70 0.81 0.00 -4.06 0.00 0.00 30.24 25.29 2jaj n GLN 147 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2jaj h ARG 148 N -0.42 0.00 0.01 3.69 9.65 -1.91 -0.16 114.38 125.24 2jaj h ARG 148 Ca -0.43 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2jaj h ARG 148 Cb 1.72 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.30 2jaj h ARG 148 CO -0.07 0.00 -0.00 0.78 2.80 0.00 0.00 179.97 183.47 2jaj h GLY 149 N 0.00 -0.01 1.60 2.80 0.00 -1.74 -2.17 103.07 103.55 2jaj h GLY 149 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2jaj h GLY 149 CO -0.00 -0.00 0.20 0.00 0.00 0.00 0.00 176.54 176.73 2jaj h ALA 150 N -0.23 1.62 -0.35 3.60 0.00 -1.40 -1.34 119.26 121.16 2jaj h ALA 150 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2jaj h ALA 150 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jaj h ALA 150 CO 0.00 0.31 -0.26 0.93 0.00 0.00 0.00 179.25 180.24 2jaj h GLU 151 N 0.54 0.72 0.00 0.00 5.08 -1.15 -2.88 114.58 116.88 2jaj h GLU 151 Ca 0.14 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2jaj h GLU 151 Cb 0.04 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jaj h GLU 151 CO -0.02 0.90 -0.12 0.82 -1.00 0.00 0.00 179.01 179.59 2jaj h ILE 152 N 0.62 0.38 -0.04 3.13 2.04 -0.57 -1.59 117.51 121.49 2jaj h ILE 152 Ca 0.08 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 2jaj h ILE 152 Cb 0.76 1.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2jaj h ILE 152 CO 0.06 0.11 -0.33 0.25 0.00 0.00 0.00 178.15 178.25 2jaj h LEU 153 N 0.00 0.35 -0.53 1.44 6.46 -1.33 -3.13 115.31 118.57 2jaj h LEU 153 Ca -0.00 -0.70 0.10 0.00 -0.12 0.00 0.00 57.88 57.16 2jaj h LEU 153 Cb 0.48 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.22 2jaj h LEU 153 CO 0.02 1.00 0.04 0.00 -0.62 0.00 0.00 178.44 178.87 2jaj h ALA 154 N 0.36 0.54 -0.66 1.25 0.00 -1.09 0.54 119.26 120.20 2jaj h ALA 154 Ca -0.03 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2jaj h ALA 154 Cb 1.02 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2jaj h ALA 154 CO 0.07 -0.36 0.44 0.38 0.00 0.00 0.00 179.25 179.78 2jaj h ASP 155 N 0.16 0.43 -0.07 0.00 3.04 -1.51 -2.95 116.42 115.51 2jaj h ASP 155 Ca 0.27 0.01 -0.08 0.00 -3.24 0.00 0.00 57.03 54.00 2jaj h ASP 155 Cb 0.41 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 2jaj h ASP 155 CO -0.41 0.25 -0.25 0.74 -2.04 0.00 0.00 179.24 177.53 2jaj h THR 156 N 0.47 1.43 -1.79 1.15 2.02 -0.00 -3.37 112.91 112.82 2jaj h THR 156 Ca 0.31 -1.63 -0.67 0.00 0.77 0.00 0.00 66.41 65.19 2jaj h THR 156 Cb 0.57 2.29 -0.36 0.00 -1.74 0.00 0.00 68.15 68.92 2jaj h THR 156 CO -0.09 0.46 0.03 0.49 0.37 0.00 0.00 175.52 176.78 2jaj n PHE 157 N -4.49 3.27 -0.44 3.16 0.99 0.30 -4.90 117.46 115.35 2jaj n PHE 157 Ca -0.08 -2.86 0.37 0.00 -0.00 0.00 0.00 57.45 54.89 2jaj n PHE 157 Cb 0.46 -0.57 0.70 0.00 -1.00 0.00 0.00 39.48 39.06 2jaj n PHE 157 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 2jaj h LYS 158 N 2.84 0.09 0.00 -1.08 2.10 -1.70 -1.95 116.57 116.88 2jaj h LYS 158 Ca 0.40 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 2jaj h LYS 158 Cb 0.53 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2jaj h LYS 158 CO 1.08 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 178.34 2jaj n ASP 159 N -4.33 0.00 -4.12 7.07 8.00 -1.26 -4.82 116.55 117.08 2jaj n ASP 159 Ca 0.32 -1.68 -0.21 0.00 0.71 0.00 0.00 54.79 53.94 2jaj n ASP 159 Cb 1.39 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 42.35 2jaj n ASP 159 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2jaj s TYR 160 N -2.00 1.21 0.18 1.24 1.51 -0.73 -5.09 117.35 113.66 2jaj s TYR 160 Ca 0.06 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 2jaj s TYR 160 Cb 0.03 -0.75 -0.09 0.00 -0.11 0.00 0.00 41.96 41.04 2jaj s TYR 160 CO 0.04 0.01 1.42 0.00 -1.11 0.00 0.00 175.55 175.91 2jaj s ALA 161 N -0.58 3.62 -0.11 3.71 0.00 -1.26 -4.86 121.76 122.28 2jaj s ALA 161 Ca 0.03 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 2jaj s ALA 161 Cb -0.06 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.55 2jaj s ALA 161 CO 0.00 -0.66 0.01 0.08 0.00 0.00 0.00 175.76 175.19 2jaj s VAL 162 N 0.58 0.45 -0.04 0.00 1.01 -1.26 0.44 120.40 121.58 2jaj s VAL 162 Ca 0.62 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.54 2jaj s VAL 162 Cb -0.39 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2jaj s VAL 162 CO 0.36 0.12 -0.17 -0.44 0.00 0.00 0.00 175.10 174.97 2jaj s SER 163 N 1.93 3.84 0.15 3.32 0.01 -0.92 -5.01 113.70 117.02 2jaj s SER 163 Ca 0.03 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 56.97 2jaj s SER 163 Cb -0.14 -0.75 -0.06 0.00 0.21 0.00 0.00 66.02 65.28 2jaj s SER 163 CO -0.06 0.34 0.44 0.42 0.41 0.00 0.00 173.24 174.78 2jaj s THR 164 N -0.70 5.07 -0.04 1.44 -4.23 -1.26 -0.74 115.64 115.19 2jaj s THR 164 Ca 0.11 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.93 2jaj s THR 164 Cb -0.11 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2jaj s THR 164 CO 0.00 0.07 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.35 2jaj s VAL 165 N -1.64 1.02 -0.05 2.29 1.01 0.28 -4.87 120.40 118.44 2jaj s VAL 165 Ca 0.41 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2jaj s VAL 165 Cb -0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2jaj s VAL 165 CO 0.22 0.31 1.31 -2.84 0.00 0.00 0.00 175.10 174.10 2jaj s PRO 166 N 0.24 4.30 0.00 2.72 0.02 -1.26 0.14 135.00 141.16 2jaj s PRO 166 Ca -0.05 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2jaj s PRO 166 Cb -0.11 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.80 2jaj s PRO 166 CO 0.01 -0.56 0.00 0.28 -0.33 0.00 0.00 177.00 176.41 2jaj n VAL 167 N 4.79 0.00 -0.79 3.83 0.31 -0.46 -4.88 118.33 121.12 2jaj n VAL 167 Ca 0.13 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 2jaj n VAL 167 Cb 0.45 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.33 2jaj n VAL 167 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jaj n LEU 171 N 0.00 -0.59 -4.74 7.52 4.77 -1.26 -4.86 117.00 117.84 2jaj n LEU 171 Ca 0.00 1.35 -0.22 0.00 -0.03 0.00 0.00 56.01 57.11 2jaj n LEU 171 Cb 0.00 -1.64 -0.06 0.00 -2.33 0.00 0.00 43.42 39.39 2jaj n LEU 171 CO 0.00 -1.12 -0.23 -1.00 -1.33 0.00 0.00 177.39 173.71 2jaj s HIS 172 N -3.79 2.85 0.24 -1.77 3.76 -1.26 -4.73 115.29 110.58 2jaj s HIS 172 Ca 0.00 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 2jaj s HIS 172 Cb 0.00 -1.41 0.43 0.00 1.11 0.00 0.00 32.58 32.71 2jaj s HIS 172 CO 0.00 0.49 1.75 1.25 -0.85 0.00 0.00 174.74 177.38 2jaj h LEU 173 N 1.63 0.35 -1.16 0.89 5.85 -1.76 -1.46 115.31 119.65 2jaj h LEU 173 Ca -0.45 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2jaj h LEU 173 Cb 1.25 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2jaj h LEU 173 CO 0.61 0.16 0.00 0.29 -0.34 0.00 0.00 178.44 179.16 2jaj n LYS 174 N -4.95 1.75 0.27 1.25 5.02 -1.11 -3.46 118.16 116.93 2jaj n LYS 174 Ca 0.14 -0.84 0.18 0.00 -2.02 0.00 0.00 58.31 55.76 2jaj n LYS 174 Cb 0.38 -1.38 0.79 0.00 -0.02 0.00 0.00 35.03 34.80 2jaj n LYS 174 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2jaj h SER 175 N 1.24 0.00 0.00 4.39 0.02 -1.53 -3.35 113.55 114.32 2jaj h SER 175 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jaj h SER 175 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2jaj h SER 175 CO 0.05 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 177.96 2jaj n PHE 176 N -2.95 0.00 -3.89 3.45 1.16 -1.22 -4.16 117.46 109.84 2jaj n PHE 176 Ca -0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 57.45 55.43 2jaj n PHE 176 Cb 0.23 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.07 2jaj n PHE 176 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jaj n SER 178 N -0.68 0.00 -4.63 0.00 3.41 -1.15 -4.47 113.62 106.10 2jaj n SER 178 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 2jaj n SER 178 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 2jaj n SER 178 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2jaj s MET 179 N 1.25 4.00 0.00 4.33 -1.94 -1.26 -3.09 119.30 122.58 2jaj s MET 179 Ca 0.00 -0.32 0.21 0.00 -1.71 0.00 0.00 55.69 53.88 2jaj s MET 179 Cb 0.00 -3.40 0.25 0.00 2.01 0.00 0.00 34.83 33.69 2jaj s MET 179 CO 0.00 0.12 1.23 0.00 -0.01 0.00 0.00 175.02 176.36 2jaj n ALA 180 N 4.06 2.44 0.00 3.03 0.00 0.29 -3.90 120.51 126.43 2jaj n ALA 180 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2jaj n ALA 180 Cb 0.52 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2jaj n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jaj n GLY 181 N 1.25 -1.84 3.67 0.00 0.00 -0.97 -4.89 105.19 102.41 2jaj n GLY 181 Ca 0.14 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2jaj n GLY 181 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jaj s PRO 182 N -1.67 4.17 -1.71 1.61 0.02 -1.26 -2.32 135.00 133.83 2jaj s PRO 182 Ca 0.00 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.28 2jaj s PRO 182 Cb 0.00 -3.91 0.14 0.00 0.02 0.00 0.00 34.50 30.75 2jaj s PRO 182 CO 0.00 -0.85 0.53 0.09 -0.33 0.00 0.00 177.00 176.44 2jaj n ASN 183 N 6.74 -1.63 -3.83 2.53 4.13 -1.26 -4.96 115.26 116.97 2jaj n ASN 183 Ca 0.18 -1.15 -0.26 0.00 1.68 0.00 0.00 54.58 55.03 2jaj n ASN 183 Cb 0.41 -2.17 -0.17 0.00 -1.54 0.00 0.00 39.78 36.31 2jaj n ASN 183 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2jaj s LEU 184 N -7.25 1.11 -0.15 3.41 2.96 -0.98 -1.12 118.68 116.66 2jaj s LEU 184 Ca 0.55 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2jaj s LEU 184 Cb -0.31 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 2jaj s LEU 184 CO 0.97 -0.19 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.15 2jaj s ILE 185 N 1.79 3.92 0.27 6.68 1.01 0.76 0.11 121.20 135.74 2jaj s ILE 185 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2jaj s ILE 185 Cb -0.14 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 2jaj s ILE 185 CO -0.07 0.50 0.98 0.00 0.00 0.00 0.00 174.94 176.34 2jaj s ALA 186 N 0.33 3.32 -0.11 9.38 0.00 -1.18 0.21 121.76 133.72 2jaj s ALA 186 Ca -0.04 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 2jaj s ALA 186 Cb -0.14 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2jaj s ALA 186 CO 0.03 0.11 0.40 -1.50 0.00 0.00 0.00 175.76 174.80 2jaj s ILE 187 N -1.26 0.02 0.65 0.00 1.10 -0.70 -3.18 121.20 117.82 2jaj s ILE 187 Ca 0.44 -0.14 -0.11 0.00 -0.51 0.00 0.00 60.65 60.33 2jaj s ILE 187 Cb -0.26 -0.61 -0.01 0.00 0.15 0.00 0.00 42.46 41.72 2jaj s ILE 187 CO 0.32 -0.08 1.04 -0.83 -2.11 0.00 0.00 174.94 173.29 2jaj s GLY 188 N -0.32 1.64 0.07 1.50 0.00 -1.00 -0.99 107.32 108.22 2jaj s GLY 188 Ca -0.05 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 2jaj s GLY 188 CO 0.02 0.07 1.40 1.76 0.00 0.00 0.00 173.10 176.35 2jaj h SER 189 N -0.44 0.55 -2.50 1.64 0.02 -1.39 -3.37 113.55 108.06 2jaj h SER 189 Ca -0.45 -0.46 -0.57 0.00 -0.84 0.00 0.00 61.79 59.47 2jaj h SER 189 Cb 1.22 -0.16 0.20 0.00 0.14 0.00 0.00 62.40 63.80 2jaj h SER 189 CO 0.63 0.90 -1.01 -1.54 -1.14 0.00 0.00 176.83 174.67 2jaj n SER 190 N -4.43 -3.20 0.27 3.07 3.41 -1.26 -4.60 113.62 106.89 2jaj n SER 190 Ca -0.05 0.52 0.18 0.00 -0.26 0.00 0.00 58.87 59.26 2jaj n SER 190 Cb 0.40 -0.98 0.80 0.00 -0.26 0.00 0.00 64.21 64.17 2jaj n SER 190 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jaj h GLU 191 N -0.39 0.00 0.00 4.33 -0.00 -2.02 -1.29 114.58 115.21 2jaj h GLU 191 Ca -0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.90 2jaj h GLU 191 Cb 1.37 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.12 2jaj h GLU 191 CO 0.38 0.00 -0.20 0.77 -0.00 0.00 0.00 179.01 179.96 2jaj h SER 192 N 0.00 0.00 0.00 3.06 0.02 -1.97 -3.14 113.55 111.52 2jaj h SER 192 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jaj h SER 192 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2jaj h SER 192 CO 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 2jaj n ALA 193 N -2.13 0.00 -0.33 3.77 0.00 -0.51 -3.86 120.51 117.45 2jaj n ALA 193 Ca 0.03 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.83 2jaj n ALA 193 Cb 0.57 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.77 2jaj n ALA 193 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jaj h GLN 194 N 0.00 0.00 0.16 0.00 1.08 -1.67 0.40 115.11 115.09 2jaj h GLN 194 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2jaj h GLN 194 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2jaj h GLN 194 CO 0.00 0.00 -0.08 0.87 -0.95 0.00 0.00 178.83 178.67 2jaj h LYS 195 N 0.00 -0.21 -0.44 1.46 6.56 -1.75 -3.59 116.57 118.59 2jaj h LYS 195 Ca 0.57 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 60.13 2jaj h LYS 195 Cb 2.37 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 34.06 2jaj h LYS 195 CO -0.01 -0.04 0.09 0.00 -2.06 0.00 0.00 179.45 177.44 2jaj h ALA 196 N 0.48 1.35 0.43 3.86 0.00 -0.34 -2.27 119.26 122.77 2jaj h ALA 196 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2jaj h ALA 196 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jaj h ALA 196 CO 0.04 0.46 -0.49 1.25 0.00 0.00 0.00 179.25 180.51 2jaj h LEU 197 N 0.64 -1.35 -1.52 0.00 5.85 -1.66 -1.72 115.31 115.56 2jaj h LEU 197 Ca 0.14 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.05 2jaj h LEU 197 Cb 0.26 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2jaj h LEU 197 CO -0.00 -0.63 0.42 0.11 -0.34 0.00 0.00 178.44 178.00 2jaj h LYS 198 N -0.94 0.56 -0.58 1.25 6.56 -1.79 1.47 116.57 123.10 2jaj h LYS 198 Ca -0.05 -0.03 -0.09 0.00 -1.06 0.00 0.00 60.65 59.42 2jaj h LYS 198 Cb 0.83 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 2jaj h LYS 198 CO -0.10 0.37 0.01 0.82 -2.06 0.00 0.00 179.45 178.49 2jaj h ILE 199 N 0.57 1.26 -0.36 1.86 5.03 -1.27 0.23 117.51 124.84 2jaj h ILE 199 Ca 0.28 -1.12 -0.11 0.00 -0.12 0.00 0.00 64.86 63.79 2jaj h ILE 199 Cb 0.36 0.83 -0.01 0.00 -3.03 0.00 0.00 36.82 34.98 2jaj h ILE 199 CO -0.09 0.41 -0.19 0.24 -0.68 0.00 0.00 178.15 177.84 2jaj h MET 200 N 0.92 0.76 -0.52 2.37 2.07 0.01 -2.81 114.93 117.72 2jaj h MET 200 Ca 0.17 -0.34 -0.10 0.00 -2.07 0.00 0.00 59.70 57.35 2jaj h MET 200 Cb 0.54 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.23 2jaj h MET 200 CO 0.03 0.96 -0.09 1.96 1.07 0.00 0.00 176.91 180.84 2jaj h GLN 201 N 0.54 0.95 0.57 1.72 4.20 0.23 -2.50 115.11 120.82 2jaj h GLN 201 Ca 0.08 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2jaj h GLN 201 Cb 0.74 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.45 2jaj h GLN 201 CO 0.06 0.99 -0.28 1.96 -0.67 0.00 0.00 178.83 180.89 2jaj h GLN 202 N 0.85 -0.74 0.00 1.46 4.20 -0.64 -3.10 115.11 117.14 2jaj h GLN 202 Ca 0.14 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2jaj h GLN 202 Cb 0.62 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2jaj h GLN 202 CO 0.04 -0.44 0.15 -1.33 -0.67 0.00 0.00 178.83 176.58 2jaj n MET 203 N -5.36 0.07 -3.29 1.46 2.00 -1.06 -4.67 117.12 106.27 2jaj n MET 203 Ca -0.12 0.53 -0.38 0.00 0.00 0.00 0.00 57.70 57.73 2jaj n MET 203 Cb 0.34 -1.90 -0.06 0.00 0.00 0.00 0.00 33.22 31.60 2jaj n MET 203 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2jaj s SER 204 N -3.38 6.79 0.11 7.83 0.15 -0.95 -4.98 113.70 119.26 2jaj s SER 204 Ca -0.01 0.94 -0.19 0.00 0.70 0.00 0.00 55.95 57.39 2jaj s SER 204 Cb 0.03 -2.31 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 2jaj s SER 204 CO 0.10 0.06 1.64 -2.24 1.20 0.00 0.00 173.24 174.00 2jaj h ASP 205 N 6.23 0.37 -4.18 5.45 -0.00 -1.87 -3.45 116.42 118.97 2jaj h ASP 205 Ca -0.43 -0.17 -0.50 0.00 -0.00 0.00 0.00 57.03 55.93 2jaj h ASP 205 Cb 1.19 -0.10 0.05 0.00 -0.00 0.00 0.00 39.33 40.47 2jaj h ASP 205 CO 0.72 0.44 0.35 -1.00 -0.00 0.00 0.00 179.24 179.75 2jaj s HIS 206 N -5.53 3.59 -0.43 4.15 4.02 -1.26 -5.06 115.29 114.76 2jaj s HIS 206 Ca -0.13 1.22 -0.02 0.00 1.02 0.00 0.00 55.06 57.14 2jaj s HIS 206 Cb 0.08 -2.64 0.12 0.00 -1.02 0.00 0.00 32.58 29.11 2jaj s HIS 206 CO 0.72 -0.56 0.22 -0.98 1.02 0.00 0.00 174.74 175.17 2jaj s ARG 207 N -4.92 2.03 0.89 1.40 1.04 -1.26 -5.02 118.95 113.11 2jaj s ARG 207 Ca 0.54 -1.92 -0.12 0.00 -1.04 0.00 0.00 55.73 53.19 2jaj s ARG 207 Cb -0.11 -3.57 0.13 0.00 -2.04 0.00 0.00 34.95 29.36 2jaj s ARG 207 CO 0.49 -1.08 1.10 0.71 -0.04 0.00 0.00 175.30 176.48 2jaj s TYR 208 N 0.96 2.43 0.08 5.89 1.51 -1.26 -5.08 117.35 121.88 2jaj s TYR 208 Ca 0.10 1.13 0.02 0.00 -1.01 0.00 0.00 57.07 57.30 2jaj s TYR 208 Cb -0.22 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.39 2jaj s TYR 208 CO -0.04 -2.34 0.15 -0.51 -1.11 0.00 0.00 175.55 171.71 2jaj s ASP 209 N -3.62 5.95 0.22 2.29 1.01 -0.27 -5.02 116.67 117.22 2jaj s ASP 209 Ca 0.63 0.12 0.11 0.00 0.71 0.00 0.00 52.55 54.12 2jaj s ASP 209 Cb -0.17 -1.72 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 2jaj s ASP 209 CO 0.56 0.15 -0.20 -1.59 0.21 0.00 0.00 175.17 174.31 2jaj s LYS 210 N -2.56 1.68 -0.40 8.23 -2.85 -1.26 -0.17 119.74 122.41 2jaj s LYS 210 Ca 0.32 -1.55 0.02 0.00 -1.00 0.00 0.00 55.97 53.75 2jaj s LYS 210 Cb -0.12 -1.88 0.12 0.00 -2.06 0.00 0.00 37.83 33.89 2jaj s LYS 210 CO 0.25 0.38 0.18 -1.17 0.10 0.00 0.00 175.35 175.10 2jaj s LEU 211 N -2.98 2.90 -0.52 2.77 2.96 0.56 -4.82 118.68 119.56 2jaj s LEU 211 Ca 0.24 -2.36 -0.22 0.00 -0.22 0.00 0.00 54.13 51.58 2jaj s LEU 211 Cb -0.07 -1.09 0.04 0.00 0.50 0.00 0.00 46.19 45.57 2jaj s LEU 211 CO 0.12 -0.31 0.81 -0.89 -1.32 0.00 0.00 176.35 174.76 2jaj s THR 212 N 0.68 4.59 0.26 3.68 2.01 -1.26 -1.72 115.64 123.89 2jaj s THR 212 Ca 0.15 0.06 -0.16 0.00 0.31 0.00 0.00 61.69 62.05 2jaj s THR 212 Cb -0.22 -4.42 -0.08 0.00 0.01 0.00 0.00 72.50 67.78 2jaj s THR 212 CO -0.07 -0.94 0.70 0.68 -0.69 0.00 0.00 174.62 174.30 2jaj s VAL 213 N 3.40 4.67 0.20 3.82 -7.23 -0.16 -4.94 120.40 120.17 2jaj s VAL 213 Ca 0.25 1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 61.36 2jaj s VAL 213 Cb -0.15 -3.72 0.13 0.00 0.56 0.00 0.00 36.38 33.21 2jaj s VAL 213 CO 0.18 0.01 1.78 -0.65 -0.31 0.00 0.00 175.10 176.11 2jaj h PRO 214 N 2.84 0.54 -4.92 4.82 0.11 -1.88 -2.09 132.00 131.42 2jaj h PRO 214 Ca -0.48 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 2jaj h PRO 214 Cb 1.18 -0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.00 2jaj h PRO 214 CO 0.66 0.35 -0.53 -0.51 -0.21 0.00 0.00 178.00 177.76 2jaj s ASP 215 N -5.50 5.94 0.58 -2.05 1.01 -1.26 -3.43 116.67 111.96 2jaj s ASP 215 Ca -0.13 -0.02 0.28 0.00 0.71 0.00 0.00 52.55 53.40 2jaj s ASP 215 Cb 0.16 -2.10 1.74 0.00 1.01 0.00 0.00 42.92 43.73 2jaj s ASP 215 CO 0.75 -0.04 2.20 0.44 0.21 0.00 0.00 175.17 178.73 2jaj h ASP 216 N 8.30 0.00 1.40 0.27 5.19 -1.92 -1.69 116.42 127.96 2jaj h ASP 216 Ca -0.36 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 2jaj h ASP 216 Cb 1.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 2jaj h ASP 216 CO 0.56 0.00 -0.60 0.40 -3.12 0.00 0.00 179.24 176.48 2jaj h ILE 217 N 0.00 0.04 -0.09 0.35 1.08 -1.90 -3.22 117.51 113.77 2jaj h ILE 217 Ca 0.03 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 2jaj h ILE 217 Cb 0.15 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2jaj h ILE 217 CO -0.00 0.02 0.00 0.00 -0.69 0.00 0.00 178.15 177.48 2jaj n ALA 218 N -2.16 2.56 1.13 1.87 0.00 -0.64 -2.67 120.51 120.60 2jaj n ALA 218 Ca 0.01 -0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.24 2jaj n ALA 218 Cb 0.56 -1.18 0.38 0.00 0.00 0.00 0.00 19.45 19.21 2jaj n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jaj n ALA 219 N -0.17 3.16 -2.65 0.00 0.00 -1.21 -4.64 120.51 114.99 2jaj n ALA 219 Ca 0.15 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 2jaj n ALA 219 Cb 0.21 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 2jaj n ALA 219 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jaj s ASN 220 N -2.79 6.25 0.27 0.00 3.84 -1.09 -2.94 114.94 118.49 2jaj s ASN 220 Ca 0.18 -0.69 0.02 0.00 0.21 0.00 0.00 52.86 52.57 2jaj s ASN 220 Cb 0.19 -2.30 -0.05 0.00 -0.55 0.00 0.00 41.25 38.54 2jaj s ASN 220 CO 0.60 -0.84 0.11 0.00 -2.79 0.00 0.00 177.10 174.18 2jaj s ILE 222 N -3.71 2.50 -0.20 0.00 1.01 -0.32 -4.60 121.20 115.86 2jaj s ILE 222 Ca 0.37 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2jaj s ILE 222 Cb 0.07 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2jaj s ILE 222 CO 0.15 0.39 0.18 -0.47 0.00 0.00 0.00 174.94 175.19 2jaj s TYR 223 N 1.32 3.39 -0.04 3.97 5.04 -1.25 -0.06 117.35 129.71 2jaj s TYR 223 Ca 0.03 0.37 0.04 0.00 -2.44 0.00 0.00 57.07 55.06 2jaj s TYR 223 Cb -0.15 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.92 2jaj s TYR 223 CO -0.09 0.20 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.67 2jaj s LEU 224 N 0.62 1.86 -0.42 6.97 1.43 0.23 -4.86 118.68 124.51 2jaj s LEU 224 Ca 0.10 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.64 2jaj s LEU 224 Cb -0.12 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.24 2jaj s LEU 224 CO 0.01 0.12 0.85 0.21 0.23 0.00 0.00 176.35 177.78 2jaj s ASN 225 N 0.16 6.51 -0.16 2.29 3.84 -0.29 -0.51 114.94 126.78 2jaj s ASN 225 Ca -0.06 0.16 -0.05 0.00 0.21 0.00 0.00 52.86 53.12 2jaj s ASN 225 Cb -0.12 -2.42 -0.03 0.00 -0.55 0.00 0.00 41.25 38.13 2jaj s ASN 225 CO 0.02 -0.92 0.01 -0.63 -2.79 0.00 0.00 177.10 172.80 2jaj s ILE 226 N 3.44 4.36 0.01 -5.21 -1.09 -0.55 -4.31 121.20 117.85 2jaj s ILE 226 Ca 0.34 -0.19 -0.38 0.00 -2.23 0.00 0.00 60.65 58.19 2jaj s ILE 226 Cb -0.12 -2.93 -0.17 0.00 -1.58 0.00 0.00 42.46 37.66 2jaj s ILE 226 CO 0.22 0.49 1.38 -2.65 -1.23 0.00 0.00 174.94 173.15 2jaj n PRO 227 N 3.40 1.01 -0.51 2.79 -0.02 -1.26 -1.80 135.00 138.62 2jaj n PRO 227 Ca -0.17 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2jaj n PRO 227 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2jaj n PRO 227 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jaj n ASN 228 N 2.91 0.00 -0.02 2.55 3.02 -1.26 -4.71 115.26 117.74 2jaj n ASN 228 Ca 0.20 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.73 2jaj n ASN 228 Cb 0.17 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.54 2jaj n ASN 228 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jaj n LYS 229 N -2.00 2.97 0.00 3.52 4.01 -0.74 -5.10 118.16 120.82 2jaj n LYS 229 Ca 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2jaj n LYS 229 Cb 0.00 -1.13 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 2jaj n LYS 229 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jaj n GLY 230 N 2.65 0.53 3.69 0.72 0.00 -0.79 -4.89 105.19 107.10 2jaj n GLY 230 Ca -0.08 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2jaj n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jaj s HIS 231 N 0.00 2.97 -0.05 1.61 3.76 -1.26 -1.49 115.29 120.83 2jaj s HIS 231 Ca 0.00 0.94 0.01 0.00 -0.15 0.00 0.00 55.06 55.86 2jaj s HIS 231 Cb 0.00 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 30.12 2jaj s HIS 231 CO 0.00 -2.11 -0.04 0.08 -0.85 0.00 0.00 174.74 171.82 2jaj s VAL 232 N 2.28 0.54 -0.09 -0.90 1.01 0.33 -0.52 120.40 123.04 2jaj s VAL 232 Ca 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2jaj s VAL 232 Cb -0.30 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2jaj s VAL 232 CO 0.25 0.24 -0.10 -0.22 0.00 0.00 0.00 175.10 175.28 2jaj s LEU 233 N 1.14 1.40 -0.12 3.92 2.96 -0.99 0.78 118.68 127.77 2jaj s LEU 233 Ca -0.08 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.30 2jaj s LEU 233 Cb -0.14 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 2jaj s LEU 233 CO -0.01 -0.05 0.74 -0.76 -1.32 0.00 0.00 176.35 174.94 2jaj s LEU 234 N 1.23 4.24 0.23 -0.68 1.43 0.91 -0.03 118.68 126.00 2jaj s LEU 234 Ca -0.04 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2jaj s LEU 234 Cb -0.14 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2jaj s LEU 234 CO -0.03 -0.24 0.15 -1.38 0.23 0.00 0.00 176.35 175.09 2jaj s HIS 235 N 1.42 1.28 0.29 0.29 -3.43 -0.37 -1.18 115.29 113.59 2jaj s HIS 235 Ca 0.37 -1.42 -0.29 0.00 -0.80 0.00 0.00 55.06 52.92 2jaj s HIS 235 Cb -0.17 -0.60 -0.09 0.00 -1.43 0.00 0.00 32.58 30.28 2jaj s HIS 235 CO 0.15 -0.66 1.08 1.03 -2.00 0.00 0.00 174.74 174.34 2jaj s ARG 236 N -4.03 4.62 1.13 -0.38 1.81 -1.25 0.11 118.95 120.95 2jaj s ARG 236 Ca 0.39 1.75 -0.12 0.00 -1.72 0.00 0.00 55.73 56.03 2jaj s ARG 236 Cb 0.06 -3.14 0.26 0.00 -0.45 0.00 0.00 34.95 31.68 2jaj s ARG 236 CO 0.15 0.22 1.05 0.95 -0.68 0.00 0.00 175.30 176.98 2jaj s THR 237 N -1.21 2.01 -2.00 0.02 -4.23 -1.15 -4.65 115.64 104.43 2jaj s THR 237 Ca 0.45 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.22 2jaj s THR 237 Cb -0.30 -2.02 0.71 0.00 1.34 0.00 0.00 72.50 72.23 2jaj s THR 237 CO 0.39 -0.00 1.96 -0.81 -0.54 0.00 0.00 174.62 175.61 2jaj n PRO 238 N -4.85 0.99 0.05 3.99 -0.04 -1.26 -2.62 135.00 131.26 2jaj n PRO 238 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2jaj n PRO 238 Cb 0.54 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2jaj n PRO 238 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jaj h GLU 239 N 0.00 -0.19 -0.12 0.54 3.07 -1.95 -3.31 114.58 112.62 2jaj h GLU 239 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2jaj h GLU 239 Cb 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2jaj h GLU 239 CO 0.00 -0.13 0.04 0.93 -1.40 0.00 0.00 179.01 178.46 2jaj h GLU 240 N -0.71 0.19 -2.41 2.33 5.08 -1.86 -3.35 114.58 113.84 2jaj h GLU 240 Ca -0.02 -0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.71 2jaj h GLU 240 Cb 0.15 -0.03 -0.38 0.00 0.50 0.00 0.00 28.75 28.99 2jaj h GLU 240 CO 0.03 0.32 -0.95 0.66 -1.00 0.00 0.00 179.01 178.07 2jaj n TYR 241 N -4.88 -0.56 -0.07 4.33 4.02 -1.08 -5.01 117.16 113.90 2jaj n TYR 241 Ca -0.05 -3.40 -0.14 0.00 -0.01 0.00 0.00 57.90 54.30 2jaj n TYR 241 Cb 0.13 0.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.57 2jaj n TYR 241 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2jaj h PRO 242 N 5.55 0.64 0.00 -0.72 0.11 -1.71 -1.43 132.00 134.44 2jaj h PRO 242 Ca 0.25 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2jaj h PRO 242 Cb 0.89 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2jaj h PRO 242 CO 0.40 0.99 0.00 0.93 -0.21 0.00 0.00 178.00 180.11 2jaj h GLU 243 N 0.34 0.00 0.01 1.05 4.39 -1.95 -2.58 114.58 115.85 2jaj h GLU 243 Ca 0.02 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.39 2jaj h GLU 243 Cb 0.92 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 2jaj h GLU 243 CO 0.08 0.00 -2.03 0.43 -1.16 0.00 0.00 179.01 176.32 2jaj n SER 244 N -2.31 0.78 0.00 1.42 7.64 -0.79 -4.00 113.62 116.36 2jaj n SER 244 Ca -0.00 0.21 0.11 0.00 1.01 0.00 0.00 58.87 60.19 2jaj n SER 244 Cb 0.10 0.20 0.52 0.00 -1.01 0.00 0.00 64.21 64.03 2jaj n SER 244 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jaj n ALA 245 N -2.72 2.09 0.11 -0.43 0.00 -0.61 -2.23 120.51 116.72 2jaj n ALA 245 Ca -0.26 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 2jaj n ALA 245 Cb 1.09 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 2jaj n ALA 245 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2jaj h LYS 246 N 0.00 0.44 -0.59 0.00 2.10 -1.66 -3.22 116.57 113.64 2jaj h LYS 246 Ca 0.00 -0.74 -0.03 0.00 -2.00 0.00 0.00 60.65 57.87 2jaj h LYS 246 Cb 0.24 0.28 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2jaj h LYS 246 CO 0.00 1.34 0.24 0.28 -2.00 0.00 0.00 179.45 179.31 2jaj h VAL 247 N 0.12 1.21 0.01 0.07 2.07 -1.59 -3.17 116.25 114.97 2jaj h VAL 247 Ca -0.27 -0.65 -0.24 0.00 0.82 0.00 0.00 66.70 66.36 2jaj h VAL 247 Cb 2.11 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2jaj h VAL 247 CO 0.22 0.26 -0.93 1.88 0.02 0.00 0.00 177.57 179.02 2jaj h TYR 248 N 0.84 0.92 0.00 1.57 -1.99 -1.64 -2.71 116.97 113.96 2jaj h TYR 248 Ca 0.20 -0.51 0.00 0.00 2.00 0.00 0.00 58.73 60.42 2jaj h TYR 248 Cb 0.16 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.79 2jaj h TYR 248 CO 0.01 1.34 0.28 0.93 -0.00 0.00 0.00 178.16 180.73 2jaj h GLU 249 N 0.24 0.00 -0.03 4.88 5.08 -1.55 0.53 114.58 123.73 2jaj h GLU 249 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2jaj h GLU 249 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2jaj h GLU 249 CO 0.18 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 178.55 2jaj n LYS 250 N -2.75 1.02 -3.10 2.33 2.85 -1.02 -4.51 118.16 112.98 2jaj n LYS 250 Ca -0.02 -0.03 -0.45 0.00 -1.05 0.00 0.00 58.31 56.76 2jaj n LYS 250 Cb 0.33 -1.02 -0.03 0.00 -0.65 0.00 0.00 35.03 33.66 2jaj n LYS 250 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jaj s LEU 251 N -0.98 5.56 0.20 -5.58 1.43 0.18 -4.93 118.68 114.57 2jaj s LEU 251 Ca 0.01 -1.85 -0.08 0.00 -1.03 0.00 0.00 54.13 51.18 2jaj s LEU 251 Cb 0.00 -2.31 0.12 0.00 0.03 0.00 0.00 46.19 44.03 2jaj s LEU 251 CO 0.00 -1.00 1.72 0.07 0.23 0.00 0.00 176.35 177.37 2jaj h LYS 252 N 8.81 1.15 -0.13 1.70 5.09 -1.86 -3.00 116.57 128.33 2jaj h LYS 252 Ca -0.09 -0.27 0.00 0.00 0.09 0.00 0.00 60.65 60.38 2jaj h LYS 252 Cb 1.06 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.24 2jaj h LYS 252 CO 1.03 1.00 0.00 -0.25 -2.09 0.00 0.00 179.45 179.15 2jaj n ASP 253 N -4.24 2.35 -4.88 7.07 8.00 -1.26 -4.94 116.55 118.66 2jaj n ASP 253 Ca 0.05 -1.79 -0.35 0.00 0.71 0.00 0.00 54.79 53.41 2jaj n ASP 253 Cb 0.26 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 2jaj n ASP 253 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2jaj s HIS 254 N -1.84 3.60 -1.15 1.24 3.76 -1.13 -4.44 115.29 115.33 2jaj s HIS 254 Ca 0.34 0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 55.77 2jaj s HIS 254 Cb 0.20 -2.04 0.22 0.00 1.11 0.00 0.00 32.58 32.08 2jaj s HIS 254 CO 0.30 0.63 1.27 1.41 -0.85 0.00 0.00 174.74 177.50 2jaj s MET 255 N -1.57 4.12 -0.06 1.40 1.75 0.32 -4.99 119.30 120.27 2jaj s MET 255 Ca 0.26 -2.84 -0.30 0.00 -1.25 0.00 0.00 55.69 51.55 2jaj s MET 255 Cb -0.14 -4.82 -0.03 0.00 2.84 0.00 0.00 34.83 32.68 2jaj s MET 255 CO 0.14 -1.53 1.27 -0.51 -0.65 0.00 0.00 175.02 173.74 2jaj s LEU 256 N 0.32 4.27 -0.21 4.11 1.43 -1.26 -2.35 118.68 125.00 2jaj s LEU 256 Ca 0.37 1.87 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2jaj s LEU 256 Cb -0.06 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 2jaj s LEU 256 CO -0.04 -0.65 -0.06 -0.63 0.23 0.00 0.00 176.35 175.20 2jaj s ILE 257 N 2.50 3.26 -0.00 -0.59 1.01 0.95 -4.95 121.20 123.38 2jaj s ILE 257 Ca 0.58 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 2jaj s ILE 257 Cb -0.26 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2jaj s ILE 257 CO 0.22 0.44 1.18 -2.84 0.00 0.00 0.00 174.94 173.94 2jaj s PRO 258 N 1.36 4.40 -0.03 2.79 0.02 -1.26 -1.23 135.00 141.06 2jaj s PRO 258 Ca 0.04 1.69 0.02 0.00 0.02 0.00 0.00 61.00 62.78 2jaj s PRO 258 Cb -0.14 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 30.92 2jaj s PRO 258 CO -0.03 -0.33 -0.09 0.08 -0.33 0.00 0.00 177.00 176.29 2jaj s VAL 259 N 1.63 0.80 -0.05 3.83 1.01 0.30 -4.87 120.40 123.05 2jaj s VAL 259 Ca 0.57 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2jaj s VAL 259 Cb -0.26 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2jaj s VAL 259 CO 0.25 0.25 0.40 -0.44 0.00 0.00 0.00 175.10 175.56 2jaj s SER 260 N 0.23 6.71 0.00 3.32 0.01 -1.26 -2.95 113.70 119.76 2jaj s SER 260 Ca -0.04 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.10 2jaj s SER 260 Cb -0.09 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 63.95 2jaj s SER 260 CO 0.01 0.22 0.92 0.80 0.41 0.00 0.00 173.24 175.59 2jaj n MET 261 N 2.51 0.00 0.14 12.44 1.56 -1.26 -4.72 117.12 127.80 2jaj n MET 261 Ca -0.12 -0.91 0.03 0.00 -0.27 0.00 0.00 57.70 56.43 2jaj n MET 261 Cb 0.52 -0.30 0.43 0.00 2.15 0.00 0.00 33.22 36.01 2jaj n MET 261 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2jaj h SER 262 N 0.11 0.18 -0.06 6.12 4.64 -1.93 0.11 113.55 122.72 2jaj h SER 262 Ca -0.05 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 2jaj h SER 262 Cb 1.37 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2jaj h SER 262 CO 0.00 0.32 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.76 2jaj h GLU 263 N 0.19 0.24 0.00 4.77 4.39 -1.92 -3.26 114.58 118.98 2jaj h GLU 263 Ca 0.04 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 2jaj h GLU 263 Cb 0.32 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2jaj h GLU 263 CO 0.02 0.80 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.32 2jaj h LEU 264 N -0.27 0.00 -2.20 1.33 3.38 -1.75 -2.85 115.31 112.95 2jaj h LEU 264 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jaj h LEU 264 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2jaj h LEU 264 CO 0.04 0.27 0.10 -0.08 0.09 0.00 0.00 178.44 178.86 2jaj h GLU 265 N 0.00 0.00 0.00 1.13 4.81 -0.58 0.58 114.58 120.52 2jaj h GLU 265 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jaj h GLU 265 Cb 0.71 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 2jaj h GLU 265 CO 0.04 0.00 -0.05 0.87 -0.73 0.00 0.00 179.01 179.13 2jaj h LYS 266 N 0.00 0.00 -0.32 1.92 1.57 -1.59 -1.24 116.57 116.90 2jaj h LYS 266 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2jaj h LYS 266 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 2jaj h LYS 266 CO -0.00 0.05 -0.03 1.33 -0.57 0.00 0.00 179.45 180.23 2jaj n VAL 267 N -3.60 2.45 -1.64 0.50 0.24 -0.05 -4.73 118.33 111.50 2jaj n VAL 267 Ca -0.02 -2.40 -0.12 0.00 -2.04 0.00 0.00 64.34 59.75 2jaj n VAL 267 Cb 0.16 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.20 2jaj n VAL 267 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jaj n ASP 268 N -0.93 -4.29 -4.60 -1.34 8.00 -0.47 -4.75 116.55 108.18 2jaj n ASP 268 Ca 0.29 0.20 -0.40 0.00 0.71 0.00 0.00 54.79 55.59 2jaj n ASP 268 Cb 0.98 -3.07 -0.08 0.00 -0.02 0.00 0.00 41.12 38.93 2jaj n ASP 268 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2jaj s GLY 269 N -2.73 1.84 0.18 0.44 0.00 -0.01 -4.95 107.32 102.10 2jaj s GLY 269 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.98 2jaj s GLY 269 CO 0.00 1.21 0.08 1.04 0.00 0.00 0.00 173.10 175.42 2jaj n LEU 270 N 5.57 0.00 0.22 0.66 4.77 -1.26 -2.34 117.00 124.62 2jaj n LEU 270 Ca -0.05 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.73 2jaj n LEU 270 Cb 0.50 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2jaj n LEU 270 CO 0.41 -0.27 0.69 -0.07 -1.33 0.00 0.00 177.39 176.82 2jaj h LEU 271 N 0.00 -0.69 -2.13 2.23 3.38 -1.92 -2.89 115.31 113.28 2jaj h LEU 271 Ca -0.13 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2jaj h LEU 271 Cb 0.44 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jaj h LEU 271 CO 0.22 -0.41 0.04 0.71 0.09 0.00 0.00 178.44 179.09 2jaj h THR 272 N -0.62 0.83 0.00 0.22 1.35 -1.85 -2.78 112.91 110.06 2jaj h THR 272 Ca -0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 2jaj h THR 272 Cb 0.54 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2jaj h THR 272 CO -0.00 0.00 -0.10 0.00 -0.25 0.00 0.00 175.52 175.17 2jaj s SER 275 N -1.15 -0.07 -0.22 0.00 1.04 -1.21 -4.54 113.70 107.55 2jaj s SER 275 Ca 0.32 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 2jaj s SER 275 Cb 0.17 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 2jaj s SER 275 CO 0.23 -0.50 -0.05 -0.69 0.98 0.00 0.00 173.24 173.21 2jaj s VAL 276 N -1.95 3.37 -0.02 5.02 1.01 -0.46 -4.31 120.40 123.05 2jaj s VAL 276 Ca -0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2jaj s VAL 276 Cb -0.04 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2jaj s VAL 276 CO -0.00 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 174.95 2jaj s LEU 277 N 1.42 4.37 -0.08 3.92 1.43 -1.26 -0.41 118.68 128.06 2jaj s LEU 277 Ca 0.05 0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 2jaj s LEU 277 Cb -0.14 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2jaj s LEU 277 CO -0.03 0.28 0.19 -0.63 0.23 0.00 0.00 176.35 176.39 2jaj s ILE 278 N -1.29 -0.03 -0.48 -0.59 1.01 -0.55 -4.83 121.20 114.44 2jaj s ILE 278 Ca 0.26 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 2jaj s ILE 278 Cb -0.13 -0.30 0.12 0.00 0.01 0.00 0.00 42.46 42.17 2jaj s ILE 278 CO 0.17 0.04 0.37 0.21 0.00 0.00 0.00 174.94 175.73 2jaj s ASN 279 N 0.80 5.76 -0.24 3.58 2.47 -1.26 0.43 114.94 126.46 2jaj s ASN 279 Ca -0.06 -1.92 -0.11 0.00 0.42 0.00 0.00 52.86 51.19 2jaj s ASN 279 Cb -0.07 -2.03 -0.05 0.00 -1.45 0.00 0.00 41.25 37.65 2jaj s ASN 279 CO -0.04 -0.71 0.20 -1.59 -3.72 0.00 0.00 177.10 171.24 2jaj s LYS 280 N 1.36 4.06 0.00 0.43 0.00 -1.26 -4.80 119.74 119.52 2jaj s LYS 280 Ca 0.06 -0.22 0.17 0.00 0.00 0.00 0.00 55.97 55.98 2jaj s LYS 280 Cb -0.26 -3.57 0.13 0.00 0.00 0.00 0.00 37.83 34.13 2jaj s LYS 280 CO -0.00 -0.01 1.02 1.63 0.00 0.00 0.00 175.35 177.99