#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jal s LYS 4 N 0.00 1.14 0.15 7.34 1.02 -0.66 -4.96 119.74 123.78 2jal s LYS 4 Ca 0.00 -2.02 -0.27 0.00 0.02 0.00 0.00 55.97 53.71 2jal s LYS 4 Cb 0.00 -1.98 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 2jal s LYS 4 CO 0.00 -1.24 0.82 0.15 -0.92 0.00 0.00 175.35 174.16 2jal s LYS 5 N 0.25 4.62 0.55 1.68 1.02 -1.26 -1.56 119.74 125.04 2jal s LYS 5 Ca 0.22 1.23 -0.02 0.00 0.02 0.00 0.00 55.97 57.42 2jal s LYS 5 Cb -0.15 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2jal s LYS 5 CO -0.06 0.47 0.81 -0.06 -0.92 0.00 0.00 175.35 175.58 2jal s PHE 6 N -0.81 3.08 0.71 3.18 0.40 0.21 -4.99 117.98 119.75 2jal s PHE 6 Ca 0.38 0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 56.85 2jal s PHE 6 Cb -0.23 -2.68 0.03 0.00 0.51 0.00 0.00 43.02 40.64 2jal s PHE 6 CO 0.27 -0.79 1.25 -2.30 0.70 0.00 0.00 175.22 174.35 2jal n PRO 7 N -2.41 0.74 -1.66 0.24 -0.02 -1.26 -4.91 135.00 125.72 2jal n PRO 7 Ca 0.05 0.32 -0.46 0.00 -2.02 0.00 0.00 63.50 61.39 2jal n PRO 7 Cb 0.59 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 2jal n PRO 7 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2jal n GLU 8 N -2.43 1.96 -0.99 -0.52 0.00 -1.26 -1.83 120.64 115.56 2jal n GLU 8 Ca 0.15 0.70 0.00 0.00 0.00 0.00 0.00 57.16 58.01 2jal n GLU 8 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 31.44 29.53 2jal n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jal n GLY 9 N 2.77 0.95 3.55 -1.84 0.00 -1.26 -5.00 105.19 104.36 2jal n GLY 9 Ca 0.15 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.62 2jal n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jal n PHE 10 N -2.07 1.17 -2.88 1.61 7.35 -0.76 -4.92 117.46 116.96 2jal n PHE 10 Ca 0.00 0.80 -0.43 0.00 -0.76 0.00 0.00 57.45 57.06 2jal n PHE 10 Cb 0.00 -2.24 -0.05 0.00 0.35 0.00 0.00 39.48 37.55 2jal n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2jal s LEU 11 N 0.32 4.12 -0.17 -2.13 1.02 -0.60 -4.99 118.68 116.24 2jal s LEU 11 Ca 0.87 -0.01 -0.17 0.00 0.02 0.00 0.00 54.13 54.83 2jal s LEU 11 Cb -1.07 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 42.03 2jal s LEU 11 CO 0.51 -1.01 0.46 0.26 0.02 0.00 0.00 176.35 176.59 2jal s TRP 12 N 3.58 3.42 0.30 0.29 0.52 -1.26 -1.03 118.94 124.75 2jal s TRP 12 Ca 0.34 0.75 0.03 0.00 0.02 0.00 0.00 56.10 57.25 2jal s TRP 12 Cb -0.11 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 2jal s TRP 12 CO 0.24 0.02 0.18 0.20 0.02 0.00 0.00 176.95 177.61 2jal s GLY 13 N 0.93 2.06 0.09 0.98 0.00 0.80 -1.62 107.32 110.56 2jal s GLY 13 Ca 0.23 -1.79 0.03 0.00 0.00 0.00 0.00 44.72 43.19 2jal s GLY 13 CO 0.09 -1.55 -0.10 -1.34 0.00 0.00 0.00 173.10 170.21 2jal s VAL 14 N -3.63 0.87 0.04 1.40 -7.23 -1.08 -1.43 120.40 109.34 2jal s VAL 14 Ca 0.37 -1.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2jal s VAL 14 Cb 0.05 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 2jal s VAL 14 CO 0.19 -0.52 -0.11 0.00 -0.31 0.00 0.00 175.10 174.34 2jal s ALA 15 N -2.25 0.91 0.33 1.32 0.00 -0.31 -1.36 121.76 120.40 2jal s ALA 15 Ca 0.03 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2jal s ALA 15 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2jal s ALA 15 CO -0.00 0.13 0.25 0.95 0.00 0.00 0.00 175.76 177.09 2jal s THR 16 N -0.95 0.07 -0.02 0.00 -4.23 -0.30 -2.77 115.64 107.45 2jal s THR 16 Ca -0.02 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 2jal s THR 16 Cb -0.08 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2jal s THR 16 CO 0.01 0.00 0.06 0.00 -0.54 0.00 0.00 174.62 174.15 2jal s ALA 17 N -3.45 -0.14 0.16 3.99 0.00 -1.26 -4.10 121.76 116.96 2jal s ALA 17 Ca 0.38 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.16 2jal s ALA 17 Cb 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2jal s ALA 17 CO 0.25 -0.06 1.58 0.66 0.00 0.00 0.00 175.76 178.19 2jal h SER 18 N 5.77 -1.38 0.26 0.00 4.64 -1.90 -1.92 113.55 119.01 2jal h SER 18 Ca -0.26 0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2jal h SER 18 Cb 1.21 0.62 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 2jal h SER 18 CO 0.46 -0.35 -0.26 0.22 -0.87 0.00 0.00 176.83 176.03 2jal h TYR 19 N -0.28 0.00 0.00 4.77 3.20 -1.92 -0.44 116.97 122.29 2jal h TYR 19 Ca 0.16 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2jal h TYR 19 Cb 0.57 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2jal h TYR 19 CO -0.63 0.26 -0.33 1.96 -1.64 0.00 0.00 178.16 177.77 2jal h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.63 -3.39 115.11 116.11 2jal h GLN 20 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jal h GLN 20 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2jal h GLN 20 CO 0.03 0.33 -0.94 0.44 -0.67 0.00 0.00 178.83 178.03 2jal n ILE 21 N -3.29 0.00 -0.10 2.54 -5.35 -1.03 -1.59 119.36 110.53 2jal n ILE 21 Ca 0.01 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 2jal n ILE 21 Cb 0.58 -0.93 -0.04 0.00 -1.74 0.00 0.00 39.64 37.51 2jal n ILE 21 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2jal h GLU 22 N 0.00 0.62 0.00 6.28 5.08 -1.27 -2.01 114.58 123.28 2jal h GLU 22 Ca 0.00 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2jal h GLU 22 Cb 0.94 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2jal h GLU 22 CO 0.00 0.83 -0.02 0.41 -1.00 0.00 0.00 179.01 179.24 2jal n GLY 23 N -0.09 -1.05 3.92 -3.84 0.00 -1.21 -1.04 105.19 101.87 2jal n GLY 23 Ca -0.03 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 2jal n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jal n SER 24 N -2.70 -0.45 0.30 1.61 7.64 -0.26 -4.71 113.62 115.04 2jal n SER 24 Ca 0.00 -0.98 0.16 0.00 1.01 0.00 0.00 58.87 59.07 2jal n SER 24 Cb 0.02 -3.20 0.94 0.00 -1.01 0.00 0.00 64.21 60.96 2jal n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jal h PRO 25 N -1.84 0.00 -0.28 1.43 0.13 -1.80 -2.03 132.00 127.61 2jal h PRO 25 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2jal h PRO 25 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2jal h PRO 25 CO 0.62 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 2jal n LEU 26 N -3.60 3.21 -4.77 1.56 4.77 -1.26 -4.69 117.00 112.22 2jal n LEU 26 Ca -0.03 -2.42 -0.35 0.00 -0.03 0.00 0.00 56.01 53.19 2jal n LEU 26 Cb 0.12 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2jal n LEU 26 CO 0.26 0.69 0.79 0.00 -1.33 0.00 0.00 177.39 177.81 2jal s ALA 27 N -1.75 2.66 -1.48 -1.18 0.00 -0.77 -3.99 121.76 115.26 2jal s ALA 27 Ca 0.29 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 2jal s ALA 27 Cb 0.20 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 20.01 2jal s ALA 27 CO 0.12 -0.85 1.02 -0.25 0.00 0.00 0.00 175.76 175.80 2jal n ASP 28 N -1.41 -5.01 -0.18 0.00 8.00 -1.26 -1.96 116.55 114.74 2jal n ASP 28 Ca 0.12 -0.72 -0.02 0.00 0.71 0.00 0.00 54.79 54.87 2jal n ASP 28 Cb 0.51 -4.17 -0.01 0.00 -0.02 0.00 0.00 41.12 37.43 2jal n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jal n GLY 29 N -1.76 0.55 3.76 0.44 0.00 -1.26 -4.65 105.19 102.28 2jal n GLY 29 Ca 0.02 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2jal n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jal s ALA 30 N -1.94 3.20 0.61 4.61 0.00 -0.83 -4.79 121.76 122.63 2jal s ALA 30 Ca 0.00 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 2jal s ALA 30 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2jal s ALA 30 CO 0.00 -1.14 1.04 0.20 0.00 0.00 0.00 175.76 175.86 2jal s GLY 31 N -0.60 1.91 0.46 0.00 0.00 -0.03 -4.75 107.32 104.31 2jal s GLY 31 Ca 0.61 0.19 -0.25 0.00 0.00 0.00 0.00 44.72 45.28 2jal s GLY 31 CO 0.54 0.49 1.38 1.03 0.00 0.00 0.00 173.10 176.54 2jal n MET 32 N -2.38 2.09 -3.23 2.90 2.81 -1.26 -4.69 117.12 113.37 2jal n MET 32 Ca 0.08 0.75 -0.18 0.00 -1.81 0.00 0.00 57.70 56.53 2jal n MET 32 Cb 0.53 -2.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.49 2jal n MET 32 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2jal s SER 33 N -0.54 5.75 0.51 7.83 1.04 -1.26 -0.22 113.70 126.82 2jal s SER 33 Ca 0.62 -0.34 0.27 0.00 0.48 0.00 0.00 55.95 56.98 2jal s SER 33 Cb -0.46 -0.89 1.40 0.00 0.10 0.00 0.00 66.02 66.17 2jal s SER 33 CO 0.57 -0.62 2.04 0.16 0.98 0.00 0.00 173.24 176.37 2jal h ILE 34 N 0.77 0.55 -0.02 -1.02 3.07 -1.13 -2.30 117.51 117.43 2jal h ILE 34 Ca -0.42 -0.60 -0.16 0.00 1.55 0.00 0.00 64.86 65.23 2jal h ILE 34 Cb 1.27 1.39 -0.02 0.00 -0.27 0.00 0.00 36.82 39.20 2jal h ILE 34 CO 0.49 0.13 -0.71 -0.50 -1.05 0.00 0.00 178.15 176.50 2jal h TRP 35 N 0.00 0.15 -0.09 0.16 4.06 -1.83 -0.88 115.95 117.53 2jal h TRP 35 Ca -0.00 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 2jal h TRP 35 Cb 0.38 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2jal h TRP 35 CO 0.00 0.78 0.05 1.25 -3.56 0.00 0.00 178.44 176.96 2jal h HIS 36 N 0.07 0.12 -0.13 0.49 2.76 -1.82 -0.82 115.15 115.83 2jal h HIS 36 Ca -0.02 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.95 2jal h HIS 36 Cb 1.26 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.19 2jal h HIS 36 CO 0.01 0.15 -0.74 1.79 -1.30 0.00 0.00 177.93 177.84 2jal h THR 37 N 0.05 1.32 -0.16 6.26 1.35 -1.46 -2.04 112.91 118.23 2jal h THR 37 Ca 0.03 -2.03 -0.01 0.00 -0.55 0.00 0.00 66.41 63.85 2jal h THR 37 Cb 0.07 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 2jal h THR 37 CO -0.01 0.63 0.05 0.15 -0.25 0.00 0.00 175.52 176.10 2jal h PHE 38 N 0.43 0.26 0.00 4.73 3.57 -1.18 -2.80 116.94 121.94 2jal h PHE 38 Ca -0.04 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 2jal h PHE 38 Cb 1.34 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2jal h PHE 38 CO 0.07 0.35 -0.29 0.66 -2.23 0.00 0.00 178.31 176.88 2jal h SER 39 N 0.09 0.00 -0.01 0.41 4.64 -1.13 -2.18 113.55 115.37 2jal h SER 39 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2jal h SER 39 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2jal h SER 39 CO -0.00 0.29 0.00 1.41 -0.87 0.00 0.00 176.83 177.65 2jal n HIS 40 N -3.48 0.00 -3.25 4.77 8.25 -0.77 -4.71 115.22 116.03 2jal n HIS 40 Ca -0.00 -0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2jal n HIS 40 Cb 0.45 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.48 2jal n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2jal s THR 41 N -2.00 5.03 0.25 1.59 2.01 -0.82 -5.02 115.64 116.68 2jal s THR 41 Ca 0.45 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 2jal s THR 41 Cb 0.21 -3.95 -0.14 0.00 0.01 0.00 0.00 72.50 68.63 2jal s THR 41 CO 0.36 -0.20 1.17 -2.65 -0.69 0.00 0.00 174.62 172.61 2jal n PRO 42 N 5.71 1.53 0.00 4.92 -0.02 -1.26 -2.59 135.00 143.29 2jal n PRO 42 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2jal n PRO 42 Cb 0.49 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2jal n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jal n GLY 43 N 1.62 1.13 0.07 -1.23 0.00 -1.26 -4.94 105.19 100.59 2jal n GLY 43 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2jal n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jal h ASN 44 N 0.00 0.01 -3.89 1.61 2.35 -1.77 -3.46 115.58 110.43 2jal h ASN 44 Ca 0.00 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 55.17 2jal h ASN 44 Cb 0.00 -0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.05 2jal h ASN 44 CO 0.00 1.01 -0.84 -0.69 -1.65 0.00 0.00 177.43 175.26 2jal s VAL 45 N -2.64 1.45 0.02 2.81 1.01 -1.26 -4.77 120.40 117.01 2jal s VAL 45 Ca -0.03 -0.73 -0.39 0.00 0.00 0.00 0.00 61.98 60.83 2jal s VAL 45 Cb 0.09 -1.25 -0.20 0.00 0.00 0.00 0.00 36.38 35.03 2jal s VAL 45 CO 0.82 0.42 1.09 1.17 0.00 0.00 0.00 175.10 178.60 2jal n LYS 46 N 3.15 0.14 -1.17 2.72 4.81 -0.04 -1.23 118.16 126.53 2jal n LYS 46 Ca -0.18 0.05 -0.06 0.00 -0.87 0.00 0.00 58.31 57.25 2jal n LYS 46 Cb 0.53 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 2jal n LYS 46 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jal n ASN 47 N 1.63 -5.68 -0.99 3.14 3.02 -1.26 -1.71 115.26 113.41 2jal n ASN 47 Ca 0.20 0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.77 2jal n ASN 47 Cb 0.10 -3.70 -0.05 0.00 -0.61 0.00 0.00 39.78 35.52 2jal n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jal n GLY 48 N 0.35 1.16 3.76 7.41 0.00 -0.37 -4.97 105.19 112.54 2jal n GLY 48 Ca -0.06 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2jal n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jal s ASP 49 N -2.82 5.81 0.31 1.61 1.01 -0.69 -4.97 116.67 116.92 2jal s ASP 49 Ca 0.00 2.44 0.03 0.00 0.71 0.00 0.00 52.55 55.73 2jal s ASP 49 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2jal s ASP 49 CO 0.00 -1.17 0.15 0.42 0.21 0.00 0.00 175.17 174.77 2jal s THR 50 N -1.49 0.39 -0.64 -1.27 -4.23 -1.26 -4.80 115.64 102.34 2jal s THR 50 Ca 0.67 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2jal s THR 50 Cb -0.32 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.29 2jal s THR 50 CO 0.38 0.00 1.02 0.61 -0.54 0.00 0.00 174.62 176.09 2jal n GLY 51 N -0.59 2.18 0.36 3.99 0.00 -1.26 -4.48 105.19 105.38 2jal n GLY 51 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 2jal n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jal h ASP 52 N 1.33 1.08 0.00 1.61 5.19 -1.94 -3.33 116.42 120.36 2jal h ASP 52 Ca 0.03 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 2jal h ASP 52 Cb 1.14 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2jal h ASP 52 CO 0.22 0.78 -1.20 0.52 -3.12 0.00 0.00 179.24 176.43 2jal n VAL 53 N -4.43 0.20 -0.26 -1.35 0.31 -1.26 -1.11 118.33 110.44 2jal n VAL 53 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2jal n VAL 53 Cb 0.01 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2jal n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jal n ALA 54 N -3.02 0.00 1.61 3.52 0.00 -1.26 -0.46 120.51 120.90 2jal n ALA 54 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2jal n ALA 54 Cb 0.55 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.29 2jal n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jal n ASP 56 N -0.20 -3.26 0.29 0.00 2.03 0.39 -4.83 116.55 110.97 2jal n ASP 56 Ca 0.10 -0.59 0.18 0.00 0.52 0.00 0.00 54.79 55.00 2jal n ASP 56 Cb 0.15 -2.71 0.81 0.00 -0.72 0.00 0.00 41.12 38.65 2jal n ASP 56 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2jal h HIS 57 N -1.06 0.00 0.00 -0.67 -0.00 -0.89 -0.96 115.15 111.57 2jal h HIS 57 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.89 2jal h HIS 57 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.71 2jal h HIS 57 CO 0.68 0.02 -0.08 -0.92 -0.00 0.00 0.00 177.93 177.63 2jal h TYR 58 N 0.00 0.00 0.00 5.26 3.20 -1.32 0.41 116.97 124.51 2jal h TYR 58 Ca -0.00 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 2jal h TYR 58 Cb 0.39 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 2jal h TYR 58 CO 0.00 0.08 -2.33 0.09 -1.64 0.00 0.00 178.16 174.36 2jal n ASN 59 N -4.14 0.26 -1.19 -2.11 3.02 -0.63 -4.70 115.26 105.78 2jal n ASN 59 Ca -0.03 -0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.63 2jal n ASN 59 Cb 0.17 0.95 0.27 0.00 -0.61 0.00 0.00 39.78 40.56 2jal n ASN 59 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jal n ARG 60 N -2.73 2.69 -0.32 3.52 1.74 -0.46 -4.63 116.66 116.47 2jal n ARG 60 Ca -0.32 -2.48 0.19 0.00 -0.77 0.00 0.00 57.85 54.47 2jal n ARG 60 Cb 1.13 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 31.45 2jal n ARG 60 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2jal h TRP 61 N 3.89 0.69 -0.16 -1.55 5.08 -1.16 -1.92 115.95 120.82 2jal h TRP 61 Ca 0.00 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 59.99 2jal h TRP 61 Cb 0.94 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.94 2jal h TRP 61 CO 0.40 -0.17 0.03 -0.22 -1.28 0.00 0.00 178.44 177.20 2jal h LYS 62 N 0.30 0.27 0.00 0.12 3.64 -1.87 -1.86 116.57 117.17 2jal h LYS 62 Ca 0.65 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.89 2jal h LYS 62 Cb 1.40 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2jal h LYS 62 CO -0.62 0.45 -0.32 1.05 -2.27 0.00 0.00 179.45 177.74 2jal h GLU 63 N 0.06 0.00 -0.53 1.90 9.09 -1.83 -0.53 114.58 122.74 2jal h GLU 63 Ca 0.05 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.34 2jal h GLU 63 Cb 0.31 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.39 2jal h GLU 63 CO 0.00 0.32 -0.12 -0.44 0.05 0.00 0.00 179.01 178.82 2jal h ASP 64 N 0.00 1.01 -0.35 3.06 3.32 -1.16 -0.39 116.42 121.92 2jal h ASP 64 Ca -0.00 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 2jal h ASP 64 Cb 0.62 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2jal h ASP 64 CO 0.04 1.13 -0.24 0.40 -1.72 0.00 0.00 179.24 178.85 2jal h ILE 65 N 0.89 1.29 -0.79 0.35 2.04 -1.04 -2.06 117.51 118.19 2jal h ILE 65 Ca 0.14 -1.39 0.10 0.00 1.00 0.00 0.00 64.86 64.71 2jal h ILE 65 Cb 0.69 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2jal h ILE 65 CO 0.05 0.46 0.51 -0.33 0.00 0.00 0.00 178.15 178.84 2jal h GLU 66 N 0.57 0.69 -0.30 2.37 5.08 -0.98 0.73 114.58 122.74 2jal h GLU 66 Ca 0.07 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2jal h GLU 66 Cb 0.80 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2jal h GLU 66 CO 0.07 0.46 0.15 0.82 -1.00 0.00 0.00 179.01 179.50 2jal h ILE 67 N 0.71 0.99 -0.52 3.13 2.04 -0.73 -1.37 117.51 121.76 2jal h ILE 67 Ca 0.36 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2jal h ILE 67 Cb 0.46 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2jal h ILE 67 CO -0.14 0.06 0.34 0.40 0.00 0.00 0.00 178.15 178.81 2jal h ILE 68 N 0.32 1.14 -0.07 -0.67 2.04 -0.27 -1.71 117.51 118.29 2jal h ILE 68 Ca 0.13 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2jal h ILE 68 Cb 0.04 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2jal h ILE 68 CO -0.08 0.14 -0.06 -0.08 0.00 0.00 0.00 178.15 178.06 2jal h GLU 69 N 0.71 -0.08 -0.07 2.37 4.81 -0.93 -2.03 114.58 119.36 2jal h GLU 69 Ca 0.19 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2jal h GLU 69 Cb -0.06 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2jal h GLU 69 CO -0.04 -0.05 -0.19 -0.22 -0.73 0.00 0.00 179.01 177.78 2jal h LYS 70 N -0.08 0.11 0.00 1.92 3.64 -0.92 0.36 116.57 121.60 2jal h LYS 70 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jal h LYS 70 Cb 0.15 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2jal h LYS 70 CO -0.12 0.30 0.00 1.28 -2.27 0.00 0.00 179.45 178.64 2jal n LEU 71 N -4.27 0.16 -0.50 5.20 4.77 -0.67 -4.92 117.00 116.77 2jal n LEU 71 Ca -0.02 0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2jal n LEU 71 Cb 0.28 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2jal n LEU 71 CO 0.37 -0.05 -0.06 0.61 -1.33 0.00 0.00 177.39 176.93 2jal n GLY 72 N 1.41 0.84 3.75 -0.72 0.00 0.13 -4.55 105.19 106.05 2jal n GLY 72 Ca 0.07 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2jal n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jal s VAL 73 N -2.24 3.48 -0.61 1.61 1.01 -0.80 -4.75 120.40 118.10 2jal s VAL 73 Ca 0.00 1.40 0.22 0.00 0.00 0.00 0.00 61.98 63.60 2jal s VAL 73 Cb 0.00 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 2jal s VAL 73 CO 0.00 0.30 0.80 0.29 0.00 0.00 0.00 175.10 176.49 2jal n LYS 74 N 1.63 0.27 -3.93 2.72 5.02 -0.79 -4.71 118.16 118.37 2jal n LYS 74 Ca 0.01 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.13 2jal n LYS 74 Cb 0.45 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2jal n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jal s ALA 75 N -3.21 -0.08 -0.10 7.82 0.00 -0.64 -0.66 121.76 124.90 2jal s ALA 75 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2jal s ALA 75 Cb 0.15 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2jal s ALA 75 CO 0.87 -0.18 -0.02 -0.47 0.00 0.00 0.00 175.76 175.96 2jal s TYR 76 N -1.41 1.00 -0.26 0.00 5.04 -0.14 -2.62 117.35 118.96 2jal s TYR 76 Ca -0.15 -0.45 -0.17 0.00 -2.44 0.00 0.00 57.07 53.85 2jal s TYR 76 Cb -0.09 -0.98 -0.03 0.00 0.35 0.00 0.00 41.96 41.21 2jal s TYR 76 CO 0.00 -0.43 0.47 0.50 -1.34 0.00 0.00 175.55 174.76 2jal s ARG 77 N 1.87 4.07 0.13 4.97 3.52 -0.46 -0.62 118.95 132.42 2jal s ARG 77 Ca 0.04 0.25 -0.00 0.00 -0.13 0.00 0.00 55.73 55.89 2jal s ARG 77 Cb -0.13 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2jal s ARG 77 CO -0.07 -0.30 0.03 -0.59 -0.81 0.00 0.00 175.30 173.56 2jal s PHE 78 N 2.15 0.91 0.23 5.12 -0.71 -0.76 -1.14 117.98 123.78 2jal s PHE 78 Ca 0.20 -1.15 0.11 0.00 -1.04 0.00 0.00 56.93 55.05 2jal s PHE 78 Cb -0.16 -0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 41.08 2jal s PHE 78 CO 0.09 -0.41 -0.18 -1.54 -1.34 0.00 0.00 175.22 171.85 2jal s SER 79 N -3.07 3.73 -0.17 1.98 1.04 -1.26 -0.76 113.70 115.20 2jal s SER 79 Ca 0.22 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 2jal s SER 79 Cb 0.07 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 2jal s SER 79 CO 0.01 0.08 0.12 -0.63 0.98 0.00 0.00 173.24 173.79 2jal s ILE 80 N -2.05 5.28 -0.51 -1.02 1.01 -0.78 -4.01 121.20 119.12 2jal s ILE 80 Ca 0.26 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 2jal s ILE 80 Cb -0.07 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.06 2jal s ILE 80 CO 0.14 0.51 1.29 -0.55 0.00 0.00 0.00 174.94 176.32 2jal s SER 81 N -0.13 6.38 0.20 3.58 0.15 -1.26 -4.64 113.70 117.98 2jal s SER 81 Ca 0.10 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 2jal s SER 81 Cb -0.12 -2.55 0.19 0.00 -1.71 0.00 0.00 66.02 61.83 2jal s SER 81 CO 0.00 -1.48 1.63 -0.25 1.20 0.00 0.00 173.24 174.35 2jal h TRP 82 N 10.15 -0.36 0.00 3.44 2.91 -1.83 -1.17 115.95 129.09 2jal h TRP 82 Ca -0.26 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.82 2jal h TRP 82 Cb 1.08 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.97 2jal h TRP 82 CO 1.01 -0.26 0.00 -0.35 -1.03 0.00 0.00 178.44 177.81 2jal n PRO 83 N -5.40 0.00 0.17 2.65 -0.04 -1.26 -0.55 135.00 130.57 2jal n PRO 83 Ca 0.06 0.28 0.04 0.00 -0.04 0.00 0.00 63.50 63.84 2jal n PRO 83 Cb 0.30 -1.51 0.22 0.00 -0.04 0.00 0.00 33.50 32.48 2jal n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jal h ARG 84 N 0.00 0.00 0.05 0.54 3.08 -1.48 -0.02 114.38 116.54 2jal h ARG 84 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 2jal h ARG 84 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2jal h ARG 84 CO 0.00 0.43 -1.90 -0.89 -1.07 0.00 0.00 179.97 176.54 2jal n ILE 85 N -3.40 1.62 -3.68 2.04 2.08 -0.35 -3.95 119.36 113.73 2jal n ILE 85 Ca 0.01 -0.39 -0.30 0.00 0.56 0.00 0.00 62.75 62.63 2jal n ILE 85 Cb 0.60 -1.82 -0.14 0.00 -0.75 0.00 0.00 39.64 37.53 2jal n ILE 85 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2jal s LEU 86 N -7.32 2.15 0.49 1.39 1.02 0.29 -0.78 118.68 115.93 2jal s LEU 86 Ca -0.29 -2.05 0.17 0.00 0.02 0.00 0.00 54.13 51.98 2jal s LEU 86 Cb 0.08 -0.84 1.20 0.00 0.02 0.00 0.00 46.19 46.65 2jal s LEU 86 CO 0.65 -0.35 2.07 -0.65 0.02 0.00 0.00 176.35 178.09 2jal h PRO 87 N 7.46 0.15 -0.50 1.29 0.11 -1.67 0.76 132.00 139.59 2jal h PRO 87 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2jal h PRO 87 Cb 0.98 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2jal h PRO 87 CO 0.44 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.72 2jal n GLU 88 N -4.48 2.27 0.00 1.05 -0.58 -1.26 -4.14 120.64 113.51 2jal n GLU 88 Ca 0.03 -1.97 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 2jal n GLU 88 Cb 0.27 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2jal n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jal n GLY 89 N 1.38 2.16 3.36 0.62 0.00 0.26 -4.53 105.19 108.44 2jal n GLY 89 Ca 0.19 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2jal n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jal s THR 90 N -0.12 0.76 0.00 2.61 -4.23 -1.26 -4.77 115.64 108.63 2jal s THR 90 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2jal s THR 90 Cb 0.00 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2jal s THR 90 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2jal n GLY 91 N -0.54 1.60 3.71 3.99 0.00 -1.26 -4.88 105.19 107.81 2jal n GLY 91 Ca -0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2jal n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jal s ARG 92 N 0.00 4.16 -0.17 1.61 3.52 -1.26 -5.00 118.95 121.81 2jal s ARG 92 Ca 0.00 2.50 -0.08 0.00 -0.13 0.00 0.00 55.73 58.02 2jal s ARG 92 Cb 0.00 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 2jal s ARG 92 CO 0.00 -0.71 0.10 0.08 -0.81 0.00 0.00 175.30 173.96 2jal s VAL 93 N 1.40 5.10 -0.49 7.11 1.01 -1.26 -3.97 120.40 129.30 2jal s VAL 93 Ca 0.74 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.62 2jal s VAL 93 Cb -0.47 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2jal s VAL 93 CO 0.32 0.49 0.51 0.21 0.00 0.00 0.00 175.10 176.63 2jal s ASN 94 N 0.07 6.18 0.39 3.32 2.47 0.04 -4.96 114.94 122.46 2jal s ASN 94 Ca 0.07 -1.14 0.08 0.00 0.42 0.00 0.00 52.86 52.29 2jal s ASN 94 Cb -0.12 -2.24 0.79 0.00 -1.45 0.00 0.00 41.25 38.24 2jal s ASN 94 CO 0.00 -0.77 1.96 -0.61 -3.72 0.00 0.00 177.10 173.96 2jal h GLN 95 N 8.87 0.39 -0.04 0.43 5.75 -1.89 -1.71 115.11 126.91 2jal h GLN 95 Ca -0.28 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 2jal h GLN 95 Cb 1.10 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 2jal h GLN 95 CO 0.92 0.39 -0.14 0.87 -2.65 0.00 0.00 178.83 178.23 2jal h LYS 96 N 0.38 0.06 -0.08 1.69 1.57 -1.90 0.71 116.57 119.00 2jal h LYS 96 Ca 0.09 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2jal h LYS 96 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2jal h LYS 96 CO 0.00 0.21 -0.21 0.78 -0.57 0.00 0.00 179.45 179.66 2jal h GLY 97 N 0.52 0.31 0.56 3.86 0.00 -1.44 -2.31 103.07 104.58 2jal h GLY 97 Ca 0.01 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.03 2jal h GLY 97 CO 0.02 0.35 0.37 1.41 0.00 0.00 0.00 176.54 178.69 2jal h LEU 98 N -0.19 0.52 -0.97 3.11 3.38 -1.24 -2.88 115.31 117.04 2jal h LEU 98 Ca -0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jal h LEU 98 Cb 0.81 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2jal h LEU 98 CO 0.04 0.32 0.04 0.44 0.09 0.00 0.00 178.44 179.37 2jal h ASP 99 N 0.66 0.75 -0.42 -0.43 3.32 -0.81 0.19 116.42 119.68 2jal h ASP 99 Ca 0.33 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 57.31 2jal h ASP 99 Cb 0.29 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 2jal h ASP 99 CO -0.23 0.79 -0.15 0.15 -1.72 0.00 0.00 179.24 178.08 2jal h PHE 100 N 0.74 -0.36 0.01 4.55 3.57 -1.19 -1.89 116.94 122.38 2jal h PHE 100 Ca 0.15 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.49 2jal h PHE 100 Cb 0.40 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2jal h PHE 100 CO 0.02 -0.23 -0.96 1.88 -2.23 0.00 0.00 178.31 176.79 2jal h TYR 101 N -0.06 0.09 -0.48 0.41 0.05 -1.39 -3.11 116.97 112.48 2jal h TYR 101 Ca 0.20 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.97 2jal h TYR 101 Cb 0.37 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.06 2jal h TYR 101 CO -0.41 0.98 0.24 -0.91 -1.05 0.00 0.00 178.16 177.01 2jal h ASN 102 N 0.02 0.34 -0.74 3.88 2.35 -0.40 0.25 115.58 121.28 2jal h ASN 102 Ca -0.03 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2jal h ASN 102 Cb 1.67 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.97 2jal h ASN 102 CO 0.13 0.23 0.37 0.03 -1.65 0.00 0.00 177.43 176.55 2jal h ARG 103 N 0.47 1.05 -0.31 0.81 3.08 -1.37 -0.43 114.38 117.67 2jal h ARG 103 Ca 0.21 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2jal h ARG 103 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2jal h ARG 103 CO -0.15 0.81 0.15 0.82 -1.07 0.00 0.00 179.97 180.52 2jal h ILE 104 N 1.03 1.16 0.19 2.04 2.04 -1.40 -1.86 117.51 120.71 2jal h ILE 104 Ca 0.26 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.67 2jal h ILE 104 Cb 0.09 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2jal h ILE 104 CO -0.04 0.16 -0.21 0.40 0.00 0.00 0.00 178.15 178.47 2jal h ILE 105 N 0.36 0.55 -0.77 -0.67 1.08 -0.57 -1.77 117.51 115.71 2jal h ILE 105 Ca 0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2jal h ILE 105 Cb 0.13 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 2jal h ILE 105 CO -0.01 0.00 0.46 0.44 -0.69 0.00 0.00 178.15 178.35 2jal h ASP 106 N -0.43 0.93 -0.12 1.72 3.32 -1.07 -1.01 116.42 119.75 2jal h ASP 106 Ca 0.01 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2jal h ASP 106 Cb 0.42 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jal h ASP 106 CO -0.06 0.72 -0.09 0.74 -1.72 0.00 0.00 179.24 178.82 2jal h THR 107 N 1.07 1.34 -0.66 0.35 2.02 -1.23 -0.44 112.91 115.36 2jal h THR 107 Ca 0.28 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 66.31 2jal h THR 107 Cb -0.03 1.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 2jal h THR 107 CO -0.05 0.35 0.36 -0.07 0.37 0.00 0.00 175.52 176.48 2jal h LEU 108 N -0.11 0.53 -0.21 2.58 3.38 -1.06 -1.01 115.31 119.42 2jal h LEU 108 Ca 0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jal h LEU 108 Cb 0.59 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2jal h LEU 108 CO 0.02 0.34 -0.01 -0.07 0.09 0.00 0.00 178.44 178.82 2jal h LEU 109 N 0.66 0.36 -1.58 1.67 4.07 -0.99 0.77 115.31 120.27 2jal h LEU 109 Ca 0.30 -0.32 0.16 0.00 0.08 0.00 0.00 57.88 58.10 2jal h LEU 109 Cb 0.20 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 2jal h LEU 109 CO -0.19 0.59 0.52 -0.08 -1.08 0.00 0.00 178.44 178.20 2jal h GLU 110 N 0.13 0.39 -0.32 1.13 4.81 -0.83 -0.75 114.58 119.13 2jal h GLU 110 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jal h GLU 110 Cb 0.41 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2jal h GLU 110 CO 0.01 0.26 0.00 1.63 -0.73 0.00 0.00 179.01 180.18 2jal n LYS 111 N -4.48 1.93 -2.83 1.92 5.02 -0.40 -4.94 118.16 114.37 2jal n LYS 111 Ca 0.15 -1.42 -0.19 0.00 -2.02 0.00 0.00 58.31 54.83 2jal n LYS 111 Cb 0.57 -1.37 0.03 0.00 -0.02 0.00 0.00 35.03 34.23 2jal n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jal n GLY 112 N 1.18 -0.36 3.60 0.72 0.00 -0.29 -5.01 105.19 105.04 2jal n GLY 112 Ca 0.15 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2jal n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jal s ILE 113 N -3.07 4.42 -0.29 -0.61 1.01 0.16 -4.90 121.20 117.92 2jal s ILE 113 Ca 0.22 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 2jal s ILE 113 Cb -0.10 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2jal s ILE 113 CO 0.28 0.50 0.86 -0.89 0.00 0.00 0.00 174.94 175.69 2jal s THR 114 N 0.11 4.74 -0.02 2.92 2.01 0.16 -4.09 115.64 121.48 2jal s THR 114 Ca 0.03 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.13 2jal s THR 114 Cb -0.13 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2jal s THR 114 CO 0.02 -0.25 1.09 -2.16 -0.69 0.00 0.00 174.62 172.63 2jal s PRO 115 N 3.07 4.45 -0.29 4.92 0.04 -1.26 -0.97 135.00 144.96 2jal s PRO 115 Ca 0.36 1.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 2jal s PRO 115 Cb -0.14 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2jal s PRO 115 CO 0.12 -0.25 0.08 -0.06 0.04 0.00 0.00 177.00 176.93 2jal s PHE 116 N 1.49 3.14 -0.28 0.56 0.40 0.21 -4.35 117.98 119.14 2jal s PHE 116 Ca 0.54 -0.87 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 2jal s PHE 116 Cb -0.24 -2.26 -0.05 0.00 0.51 0.00 0.00 43.02 40.99 2jal s PHE 116 CO 0.25 -0.54 0.18 0.08 0.70 0.00 0.00 175.22 175.89 2jal s VAL 117 N 1.52 5.24 -0.30 -0.44 1.01 -0.81 -1.83 120.40 124.79 2jal s VAL 117 Ca 0.03 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 2jal s VAL 117 Cb -0.17 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jal s VAL 117 CO 0.03 0.25 0.71 -0.89 0.00 0.00 0.00 175.10 175.20 2jal s THR 118 N 1.75 4.87 0.17 3.92 2.01 0.06 -0.37 115.64 128.04 2jal s THR 118 Ca 0.07 1.08 -0.08 0.00 0.31 0.00 0.00 61.69 63.06 2jal s THR 118 Cb -0.16 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2jal s THR 118 CO 0.10 -0.16 1.53 0.40 -0.69 0.00 0.00 174.62 175.80 2jal h ILE 119 N 5.54 1.28 -3.15 1.82 2.04 -0.86 -2.07 117.51 122.12 2jal h ILE 119 Ca -0.25 -1.50 -0.51 0.00 1.00 0.00 0.00 64.86 63.60 2jal h ILE 119 Cb 1.11 1.33 -0.40 0.00 -0.74 0.00 0.00 36.82 38.12 2jal h ILE 119 CO 0.84 0.50 -0.76 -0.47 0.00 0.00 0.00 178.15 178.26 2jal s TYR 120 N -4.45 0.75 -0.42 1.37 5.04 -0.94 -4.44 117.35 114.26 2jal s TYR 120 Ca -0.10 -0.76 0.06 0.00 -2.44 0.00 0.00 57.07 53.83 2jal s TYR 120 Cb 0.12 -0.96 0.43 0.00 0.35 0.00 0.00 41.96 41.89 2jal s TYR 120 CO 0.87 -0.62 1.10 1.58 -1.34 0.00 0.00 175.55 177.14 2jal n HIS 121 N 5.13 3.18 0.00 4.97 -0.00 -1.26 -0.89 115.22 126.35 2jal n HIS 121 Ca -0.07 -3.03 0.00 0.00 0.46 0.00 0.00 57.72 55.07 2jal n HIS 121 Cb 0.47 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 2jal n HIS 121 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2jal n TRP 122 N -0.46 0.00 -2.20 1.57 8.01 -1.26 -4.83 117.44 118.27 2jal n TRP 122 Ca 0.37 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.15 2jal n TRP 122 Cb 0.69 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.99 2jal n TRP 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2jal n ASP 123 N 0.00 7.34 -4.66 -0.99 5.75 -1.26 -4.66 116.55 118.06 2jal n ASP 123 Ca 0.00 -3.23 -0.44 0.00 -0.01 0.00 0.00 54.79 51.11 2jal n ASP 123 Cb 0.00 -1.35 -0.02 0.00 -1.03 0.00 0.00 41.12 38.72 2jal n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2jal n LEU 124 N 1.84 2.93 -4.67 -2.12 7.94 -1.26 -4.29 117.00 117.38 2jal n LEU 124 Ca 0.54 1.17 -0.46 0.00 -1.11 0.00 0.00 56.01 56.15 2jal n LEU 124 Cb 0.27 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 42.77 2jal n LEU 124 CO 0.69 -0.70 1.14 -2.65 -1.11 0.00 0.00 177.39 174.76 2jal n PRO 125 N 1.28 2.07 -0.27 1.96 -0.02 -1.26 -0.62 135.00 138.15 2jal n PRO 125 Ca 0.09 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.42 2jal n PRO 125 Cb 0.33 -2.48 0.36 0.00 -0.02 0.00 0.00 33.50 31.68 2jal n PRO 125 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2jal h PHE 126 N 5.47 0.84 -0.72 6.00 3.57 -0.82 -1.45 116.94 129.82 2jal h PHE 126 Ca -0.45 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.16 2jal h PHE 126 Cb 1.26 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 2jal h PHE 126 CO 0.61 0.34 0.48 0.00 -2.23 0.00 0.00 178.31 177.50 2jal h ALA 127 N 1.59 1.80 0.02 2.41 0.00 -1.85 -1.38 119.26 121.85 2jal h ALA 127 Ca 0.43 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.10 2jal h ALA 127 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jal h ALA 127 CO -0.19 0.06 -1.11 -0.07 0.00 0.00 0.00 179.25 177.93 2jal h LEU 128 N 0.66 0.07 -1.22 0.00 3.38 -1.51 -3.19 115.31 113.49 2jal h LEU 128 Ca 0.33 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2jal h LEU 128 Cb 0.40 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jal h LEU 128 CO -0.11 1.06 0.18 -0.61 0.09 0.00 0.00 178.44 179.05 2jal h GLN 129 N 0.01 0.72 -0.13 1.13 5.75 -0.92 0.13 115.11 121.81 2jal h GLN 129 Ca -0.06 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.37 2jal h GLN 129 Cb 1.83 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 30.24 2jal h GLN 129 CO 0.14 0.61 0.16 -0.07 -2.65 0.00 0.00 178.83 177.02 2jal h LEU 130 N 0.72 0.00 -3.66 -2.39 3.38 -1.28 0.20 115.31 112.28 2jal h LEU 130 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2jal h LEU 130 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2jal h LEU 130 CO -0.01 0.00 0.12 0.29 0.09 0.00 0.00 178.44 178.93 2jal n LYS 131 N -3.73 4.43 -0.15 1.13 4.76 -0.48 -4.92 118.16 119.20 2jal n LYS 131 Ca 0.00 -3.15 0.00 0.00 -2.87 0.00 0.00 58.31 52.30 2jal n LYS 131 Cb 0.27 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 2jal n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jal n GLY 132 N 0.29 1.04 7.00 0.72 0.00 0.06 -4.67 105.19 109.63 2jal n GLY 132 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2jal n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jal n GLY 133 N -2.00 3.42 0.14 -0.02 0.00 -0.09 -1.74 105.19 104.89 2jal n GLY 133 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2jal n GLY 133 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jal n TRP 134 N 14.00 0.73 0.25 1.61 7.02 -1.26 -1.80 117.44 137.98 2jal n TRP 134 Ca 0.00 0.33 0.14 0.00 -1.02 0.00 0.00 57.50 56.95 2jal n TRP 134 Cb 0.00 -1.03 0.44 0.00 -2.42 0.00 0.00 31.31 28.31 2jal n TRP 134 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jal h ALA 135 N 2.15 0.99 -2.90 6.99 0.00 -1.65 -3.34 119.26 121.49 2jal h ALA 135 Ca 0.00 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 2jal h ALA 135 Cb 0.19 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 2jal h ALA 135 CO 0.00 0.05 -0.27 1.21 0.00 0.00 0.00 179.25 180.23 2jal s ASN 136 N -5.97 6.35 0.55 0.00 3.84 -0.74 -4.87 114.94 114.10 2jal s ASN 136 Ca 0.03 0.41 0.25 0.00 0.21 0.00 0.00 52.86 53.76 2jal s ASN 136 Cb 0.07 -2.20 1.47 0.00 -0.55 0.00 0.00 41.25 40.05 2jal s ASN 136 CO 0.61 -0.05 2.05 0.03 -2.79 0.00 0.00 177.10 176.94 2jal h ARG 137 N 7.46 0.00 0.00 0.43 3.08 -1.87 -0.71 114.38 122.76 2jal h ARG 137 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2jal h ARG 137 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2jal h ARG 137 CO 0.70 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 180.53 2jal h GLU 138 N 0.00 0.00 -0.22 0.04 5.08 -1.93 -2.66 114.58 114.89 2jal h GLU 138 Ca 0.16 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2jal h GLU 138 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2jal h GLU 138 CO -0.00 0.00 0.23 0.97 -1.00 0.00 0.00 179.01 179.21 2jal h ILE 139 N 0.00 0.50 -0.73 3.13 2.10 -1.38 0.26 117.51 121.40 2jal h ILE 139 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 2jal h ILE 139 Cb 0.28 0.82 -0.03 0.00 -1.09 0.00 0.00 36.82 36.80 2jal h ILE 139 CO 0.00 0.00 0.34 0.00 -1.08 0.00 0.00 178.15 177.41 2jal h ALA 140 N 1.75 1.24 -0.18 0.18 0.00 -1.70 0.12 119.26 120.67 2jal h ALA 140 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jal h ALA 140 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jal h ALA 140 CO -0.00 0.58 -0.13 -0.44 0.00 0.00 0.00 179.25 179.26 2jal h ASP 141 N 1.03 0.43 -0.66 0.00 3.32 -1.19 -2.37 116.42 116.97 2jal h ASP 141 Ca 0.25 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 2jal h ASP 141 Cb 0.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2jal h ASP 141 CO -0.03 0.78 0.34 -0.50 -1.72 0.00 0.00 179.24 178.11 2jal h TRP 142 N 0.07 0.93 -0.62 4.55 6.55 -1.07 -1.76 115.95 124.60 2jal h TRP 142 Ca 0.03 -0.03 -0.09 0.00 0.95 0.00 0.00 58.89 59.75 2jal h TRP 142 Cb 0.64 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 2jal h TRP 142 CO 0.07 0.68 0.02 0.35 -1.05 0.00 0.00 178.44 178.51 2jal h PHE 143 N 0.91 1.18 -0.64 0.49 3.57 -0.80 -1.63 116.94 120.01 2jal h PHE 143 Ca 0.23 -0.20 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2jal h PHE 143 Cb 0.07 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 2jal h PHE 143 CO -0.00 1.03 0.09 0.00 -2.23 0.00 0.00 178.31 177.19 2jal h ALA 144 N 1.01 0.94 -0.36 2.41 0.00 -1.13 0.27 119.26 122.39 2jal h ALA 144 Ca 0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2jal h ALA 144 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jal h ALA 144 CO 0.03 0.66 0.01 1.49 0.00 0.00 0.00 179.25 181.43 2jal h GLU 145 N 1.00 0.64 0.18 0.00 4.81 -1.12 0.97 114.58 121.06 2jal h GLU 145 Ca 0.20 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jal h GLU 145 Cb 0.45 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2jal h GLU 145 CO 0.01 0.74 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.03 2jal h TYR 146 N 0.45 -0.22 -0.85 0.92 3.20 -1.09 -1.93 116.97 117.46 2jal h TYR 146 Ca 0.10 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.01 2jal h TYR 146 Cb 0.45 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 2jal h TYR 146 CO 0.04 -0.12 0.54 0.77 -1.64 0.00 0.00 178.16 177.74 2jal h SER 147 N -0.26 0.87 -0.58 -2.11 0.02 -0.39 -2.02 113.55 109.08 2jal h SER 147 Ca -0.02 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2jal h SER 147 Cb 0.20 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2jal h SER 147 CO 0.04 0.58 0.35 -0.09 -1.14 0.00 0.00 176.83 176.57 2jal h ARG 148 N 1.01 0.67 -0.27 3.45 2.43 -0.60 -0.98 114.38 120.09 2jal h ARG 148 Ca 0.35 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.53 2jal h ARG 148 Cb 0.08 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 2jal h ARG 148 CO -0.14 0.44 -0.02 0.28 -1.51 0.00 0.00 179.97 179.02 2jal h VAL 149 N 0.69 0.78 -0.46 0.20 2.07 -0.65 0.08 116.25 118.96 2jal h VAL 149 Ca 0.24 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.78 2jal h VAL 149 Cb 0.04 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2jal h VAL 149 CO -0.11 0.01 0.23 -0.07 0.02 0.00 0.00 177.57 177.65 2jal h LEU 150 N 0.05 0.33 -0.48 2.57 3.38 -0.93 -0.73 115.31 119.50 2jal h LEU 150 Ca 0.13 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2jal h LEU 150 Cb 0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2jal h LEU 150 CO -0.24 0.23 0.02 -0.26 0.09 0.00 0.00 178.44 178.29 2jal h PHE 151 N 0.45 0.89 -0.52 1.13 0.04 -0.95 0.18 116.94 118.18 2jal h PHE 151 Ca 0.20 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 2jal h PHE 151 Cb 0.11 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 2jal h PHE 151 CO -0.10 0.85 0.08 0.93 -0.60 0.00 0.00 178.31 179.46 2jal h GLU 152 N 0.69 0.82 0.05 1.51 5.08 -0.86 -0.29 114.58 121.57 2jal h GLU 152 Ca 0.14 -0.19 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 2jal h GLU 152 Cb 0.47 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2jal h GLU 152 CO 0.02 0.77 -1.57 -0.91 -1.00 0.00 0.00 179.01 176.32 2jal h ASN 153 N 0.78 0.18 0.00 1.42 2.35 -0.88 -3.41 115.58 116.01 2jal h ASN 153 Ca 0.16 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2jal h ASN 153 Cb 0.36 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2jal h ASN 153 CO 0.01 1.25 -0.33 0.49 -1.65 0.00 0.00 177.43 177.19 2jal n PHE 154 N -3.28 0.00 0.27 1.19 3.72 0.62 -4.76 117.46 115.22 2jal n PHE 154 Ca -0.16 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.39 2jal n PHE 154 Cb 1.03 -0.01 0.72 0.00 -0.94 0.00 0.00 39.48 40.28 2jal n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2jal h GLY 155 N 0.30 0.00 2.00 1.37 0.00 -1.09 0.53 103.07 106.18 2jal h GLY 155 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2jal h GLY 155 CO 0.00 0.00 -0.12 1.29 0.00 0.00 0.00 176.54 177.71 2jal h ASP 156 N 0.00 0.00 0.00 0.19 2.03 -1.86 -3.37 116.42 113.41 2jal h ASP 156 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 2jal h ASP 156 Cb 0.15 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.64 2jal h ASP 156 CO 0.00 0.12 -1.12 0.54 -1.03 0.00 0.00 179.24 177.75 2jal n ARG 157 N -3.28 0.36 -3.30 4.15 1.74 -0.60 -5.01 116.66 110.72 2jal n ARG 157 Ca 0.00 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 2jal n ARG 157 Cb 0.37 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.70 2jal n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jal s VAL 158 N -2.04 5.17 0.00 1.55 1.01 0.08 -4.95 120.40 121.22 2jal s VAL 158 Ca -0.03 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2jal s VAL 158 Cb 0.01 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2jal s VAL 158 CO 0.05 0.27 0.42 0.29 0.00 0.00 0.00 175.10 176.13 2jal n LYS 159 N 4.09 -0.51 -3.85 2.72 4.76 -1.26 -4.45 118.16 119.67 2jal n LYS 159 Ca -0.06 -0.42 -0.28 0.00 -2.87 0.00 0.00 58.31 54.68 2jal n LYS 159 Cb 0.51 -0.91 -0.17 0.00 -1.84 0.00 0.00 35.03 32.62 2jal n LYS 159 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2jal s ASN 160 N -0.05 2.77 0.04 4.39 0.01 -1.26 0.33 114.94 121.18 2jal s ASN 160 Ca 0.00 -0.66 0.06 0.00 -0.71 0.00 0.00 52.86 51.54 2jal s ASN 160 Cb 0.00 -0.81 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 2jal s ASN 160 CO 0.00 -0.21 -0.16 0.26 -1.51 0.00 0.00 177.10 175.48 2jal s TRP 161 N 1.70 1.40 -0.11 2.20 0.52 -0.20 -1.93 118.94 122.52 2jal s TRP 161 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.80 2jal s TRP 161 Cb -0.15 -0.84 0.01 0.00 -1.15 0.00 0.00 33.47 31.34 2jal s TRP 161 CO -0.07 0.05 -0.20 0.42 0.02 0.00 0.00 176.95 177.17 2jal s ILE 162 N -0.81 1.79 -0.04 2.03 1.01 0.49 -1.50 121.20 124.16 2jal s ILE 162 Ca 0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2jal s ILE 162 Cb -0.08 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 2jal s ILE 162 CO 0.01 0.50 0.56 0.71 0.00 0.00 0.00 174.94 176.72 2jal h THR 163 N 5.84 0.03 -3.93 2.92 1.35 -1.57 0.11 112.91 117.66 2jal h THR 163 Ca -0.27 -0.67 -0.58 0.00 -0.55 0.00 0.00 66.41 64.34 2jal h THR 163 Cb 1.20 0.05 -0.31 0.00 -1.73 0.00 0.00 68.15 67.36 2jal h THR 163 CO 0.50 0.01 -0.84 -0.76 -0.25 0.00 0.00 175.52 174.17 2jal s LEU 164 N -9.05 1.94 -0.29 3.87 1.43 -1.26 -2.22 118.68 113.10 2jal s LEU 164 Ca -0.07 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 2jal s LEU 164 Cb 0.01 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 2jal s LEU 164 CO 0.22 0.17 0.74 0.21 0.23 0.00 0.00 176.35 177.91 2jal s ASN 165 N -0.01 6.63 -1.05 2.29 2.47 -0.07 -1.98 114.94 123.22 2jal s ASN 165 Ca -0.03 0.65 -0.17 0.00 0.42 0.00 0.00 52.86 53.73 2jal s ASN 165 Cb -0.12 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 2jal s ASN 165 CO 0.02 -0.54 0.73 -0.62 -3.72 0.00 0.00 177.10 172.97 2jal n GLU 166 N 6.05 -1.13 0.29 0.43 1.02 -0.43 -4.77 120.64 122.10 2jal n GLU 166 Ca 0.02 0.57 0.16 0.00 -0.02 0.00 0.00 57.16 57.89 2jal n GLU 166 Cb 0.48 -3.72 0.88 0.00 -0.02 0.00 0.00 31.44 29.06 2jal n GLU 166 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jal h PRO 167 N -1.45 0.00 -0.60 3.49 0.13 -1.85 -0.71 132.00 131.01 2jal h PRO 167 Ca -0.59 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2jal h PRO 167 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 2jal h PRO 167 CO 0.45 0.05 0.33 2.35 -0.23 0.00 0.00 178.00 180.94 2jal h TRP 168 N 0.00 0.61 -0.18 1.56 7.01 -1.92 -0.60 115.95 122.42 2jal h TRP 168 Ca -0.00 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 2jal h TRP 168 Cb 0.17 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2jal h TRP 168 CO 0.00 0.30 -0.01 0.28 -2.79 0.00 0.00 178.44 176.22 2jal h VAL 169 N 0.62 1.26 -0.29 2.65 2.07 -1.49 0.22 116.25 121.29 2jal h VAL 169 Ca 0.26 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.97 2jal h VAL 169 Cb 0.15 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2jal h VAL 169 CO -0.16 0.26 -0.09 0.58 0.02 0.00 0.00 177.57 178.18 2jal h VAL 170 N 0.07 0.67 0.27 2.57 2.07 -1.29 -0.15 116.25 120.46 2jal h VAL 170 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2jal h VAL 170 Cb 0.40 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jal h VAL 170 CO 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.47 2jal h ALA 171 N 1.24 -0.37 0.11 1.67 0.00 -0.97 -2.96 119.26 117.99 2jal h ALA 171 Ca 0.14 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2jal h ALA 171 Cb 0.24 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jal h ALA 171 CO -0.31 -0.42 -1.01 0.82 0.00 0.00 0.00 179.25 178.33 2jal h ILE 172 N -0.94 1.32 -0.04 0.00 1.08 -0.53 0.04 117.51 118.44 2jal h ILE 172 Ca -0.04 -2.46 -0.14 0.00 -0.39 0.00 0.00 64.86 61.84 2jal h ILE 172 Cb 0.49 2.98 -0.01 0.00 -3.07 0.00 0.00 36.82 37.21 2jal h ILE 172 CO 0.06 0.68 -0.60 0.58 -0.69 0.00 0.00 178.15 178.18 2jal h VAL 173 N -0.42 1.40 0.04 1.67 2.07 -1.14 1.00 116.25 120.87 2jal h VAL 173 Ca -0.20 -2.01 -0.25 0.00 0.82 0.00 0.00 66.70 65.06 2jal h VAL 173 Cb 1.63 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 2jal h VAL 173 CO 0.09 0.59 -1.23 1.23 0.02 0.00 0.00 177.57 178.27 2jal h GLY 174 N 1.59 0.10 0.00 2.17 0.00 -1.28 -2.18 103.07 103.47 2jal h GLY 174 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jal h GLY 174 CO 0.09 0.22 -0.21 1.42 0.00 0.00 0.00 176.54 178.05 2jal n HIS 175 N -3.35 0.00 -0.06 5.60 8.25 -0.00 -1.50 115.22 124.15 2jal n HIS 175 Ca -0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 2jal n HIS 175 Cb 0.99 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.05 2jal n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2jal n LEU 176 N -0.96 1.15 0.11 2.41 7.94 -0.39 -0.86 117.00 126.40 2jal n LEU 176 Ca 0.00 0.19 -0.02 0.00 -1.11 0.00 0.00 56.01 55.07 2jal n LEU 176 Cb 0.00 -0.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.48 2jal n LEU 176 CO 0.00 0.12 0.33 1.88 -1.11 0.00 0.00 177.39 178.62 2jal h TYR 177 N -0.53 0.00 -0.01 1.96 0.05 -1.00 -3.38 116.97 114.06 2jal h TYR 177 Ca -0.29 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 2jal h TYR 177 Cb 1.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.88 2jal h TYR 177 CO -0.09 0.73 -0.01 0.41 -1.05 0.00 0.00 178.16 178.16 2jal n GLY 178 N 1.16 0.31 0.16 3.88 0.00 -0.68 -4.88 105.19 105.14 2jal n GLY 178 Ca 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2jal n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jal h VAL 179 N 0.00 0.15 -2.06 1.61 2.07 -1.71 -3.41 116.25 112.89 2jal h VAL 179 Ca -0.01 -1.23 -0.59 0.00 0.82 0.00 0.00 66.70 65.69 2jal h VAL 179 Cb 0.43 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 2jal h VAL 179 CO 0.01 0.08 -0.68 -1.00 0.02 0.00 0.00 177.57 176.01 2jal s HIS 180 N -3.21 2.47 0.47 1.57 3.76 -1.00 -4.67 115.29 114.68 2jal s HIS 180 Ca 0.03 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.34 2jal s HIS 180 Cb 0.07 -1.26 -0.09 0.00 1.11 0.00 0.00 32.58 32.41 2jal s HIS 180 CO 0.73 0.60 1.06 0.00 -0.85 0.00 0.00 174.74 176.28 2jal n ALA 181 N -0.81 0.44 1.90 -1.40 0.00 -1.26 -0.44 120.51 118.94 2jal n ALA 181 Ca -0.05 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2jal n ALA 181 Cb 0.61 -2.13 0.67 0.00 0.00 0.00 0.00 19.45 18.60 2jal n ALA 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jal n PRO 182 N -0.20 1.11 -1.87 0.00 -0.04 -1.25 -4.45 135.00 128.31 2jal n PRO 182 Ca 0.10 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2jal n PRO 182 Cb 0.42 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2jal n PRO 182 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jal n GLY 183 N 0.92 0.87 3.89 0.55 0.00 0.42 -5.02 105.19 106.81 2jal n GLY 183 Ca 0.18 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 2jal n GLY 183 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jal s MET 184 N -3.81 3.06 -0.45 1.61 -1.94 -0.56 -4.73 119.30 112.47 2jal s MET 184 Ca 0.00 -1.01 0.04 0.00 -1.71 0.00 0.00 55.69 53.01 2jal s MET 184 Cb 0.00 -2.67 0.17 0.00 2.01 0.00 0.00 34.83 34.34 2jal s MET 184 CO 0.00 0.32 0.37 0.54 -0.01 0.00 0.00 175.02 176.24 2jal n ARG 185 N -1.33 0.43 -3.59 2.03 1.74 -1.16 -1.69 116.66 113.09 2jal n ARG 185 Ca -0.06 -3.36 -0.16 0.00 -0.77 0.00 0.00 57.85 53.50 2jal n ARG 185 Cb 0.58 -1.74 -0.14 0.00 -1.02 0.00 0.00 32.46 30.14 2jal n ARG 185 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jal s ASP 186 N -0.20 0.87 0.36 0.55 -1.08 -0.04 -4.96 116.67 112.17 2jal s ASP 186 Ca 0.32 0.19 0.08 0.00 -0.52 0.00 0.00 52.55 52.63 2jal s ASP 186 Cb 0.03 0.46 0.69 0.00 -1.46 0.00 0.00 42.92 42.65 2jal s ASP 186 CO -0.19 -0.28 1.86 -0.29 0.52 0.00 0.00 175.17 176.80 2jal h ILE 187 N 6.32 1.21 -0.32 4.11 2.10 -1.91 -1.17 117.51 127.85 2jal h ILE 187 Ca -0.15 -0.94 -0.17 0.00 1.08 0.00 0.00 64.86 64.68 2jal h ILE 187 Cb 1.13 1.27 -0.00 0.00 -1.09 0.00 0.00 36.82 38.13 2jal h ILE 187 CO 0.20 0.29 -0.46 1.88 -1.08 0.00 0.00 178.15 178.98 2jal h TYR 188 N 0.26 1.07 -0.23 2.19 -1.99 -1.94 -2.27 116.97 114.06 2jal h TYR 188 Ca 0.05 -0.36 -0.02 0.00 2.00 0.00 0.00 58.73 60.40 2jal h TYR 188 Cb 0.46 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2jal h TYR 188 CO 0.01 1.18 0.07 0.28 -0.00 0.00 0.00 178.16 179.69 2jal h VAL 189 N 0.66 1.20 -0.90 -2.88 2.07 -1.83 -1.84 116.25 112.73 2jal h VAL 189 Ca 0.03 -0.63 0.12 0.00 0.82 0.00 0.00 66.70 67.04 2jal h VAL 189 Cb 1.06 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2jal h VAL 189 CO 0.11 0.20 0.53 0.00 0.02 0.00 0.00 177.57 178.42 2jal h ALA 190 N 0.89 1.34 0.00 1.67 0.00 -1.11 0.19 119.26 122.24 2jal h ALA 190 Ca 0.07 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2jal h ALA 190 Cb 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jal h ALA 190 CO -0.00 0.09 -0.80 0.74 0.00 0.00 0.00 179.25 179.28 2jal h PHE 191 N 0.82 0.00 -0.82 0.00 0.04 -1.34 -0.86 116.94 114.79 2jal h PHE 191 Ca 0.45 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.24 2jal h PHE 191 Cb 0.50 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 2jal h PHE 191 CO -0.04 0.77 0.54 0.00 -0.60 0.00 0.00 178.31 178.98 2jal h ARG 192 N 0.00 1.07 -0.29 1.51 -0.00 -0.75 -2.11 114.38 113.81 2jal h ARG 192 Ca -0.02 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.36 2jal h ARG 192 Cb 1.60 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 31.32 2jal h ARG 192 CO 0.10 0.71 0.04 0.00 0.00 0.00 0.00 179.97 180.82 2jal h ALA 193 N 1.30 0.38 -0.61 0.04 0.00 -0.22 0.21 119.26 120.36 2jal h ALA 193 Ca 0.30 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2jal h ALA 193 Cb -0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.45 2jal h ALA 193 CO -0.07 0.08 -0.36 0.28 0.00 0.00 0.00 179.25 179.18 2jal h VAL 194 N 0.29 0.15 -0.61 0.00 2.07 -1.07 0.54 116.25 117.62 2jal h VAL 194 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 2jal h VAL 194 Cb 0.35 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2jal h VAL 194 CO 0.01 0.00 0.05 -0.74 0.02 0.00 0.00 177.57 176.91 2jal h HIS 195 N -0.16 1.12 -0.03 1.57 6.17 -1.05 -2.74 115.15 120.02 2jal h HIS 195 Ca 0.23 -0.17 -0.12 0.00 0.71 0.00 0.00 60.37 61.02 2jal h HIS 195 Cb 0.56 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 2jal h HIS 195 CO -0.66 0.97 -0.51 -0.91 0.71 0.00 0.00 177.93 177.53 2jal h ASN 196 N 0.94 0.10 -0.48 3.26 2.35 -0.56 -2.19 115.58 119.00 2jal h ASN 196 Ca 0.18 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2jal h ASN 196 Cb 0.49 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2jal h ASN 196 CO 0.02 0.60 0.31 -0.07 -1.65 0.00 0.00 177.43 176.64 2jal h LEU 197 N 0.07 0.55 -0.36 1.61 3.38 -0.72 0.18 115.31 120.02 2jal h LEU 197 Ca -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2jal h LEU 197 Cb 0.93 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2jal h LEU 197 CO 0.07 0.40 0.15 -0.07 0.09 0.00 0.00 178.44 179.09 2jal h LEU 198 N 0.65 0.49 -0.77 1.67 3.38 -1.28 0.11 115.31 119.56 2jal h LEU 198 Ca 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jal h LEU 198 Cb -0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2jal h LEU 198 CO -0.04 0.51 0.41 0.03 0.09 0.00 0.00 178.44 179.44 2jal h ARG 199 N 0.44 1.08 -0.10 1.13 3.08 -1.16 0.01 114.38 118.86 2jal h ARG 199 Ca 0.12 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2jal h ARG 199 Cb 0.16 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2jal h ARG 199 CO -0.01 0.80 -0.07 0.00 -1.07 0.00 0.00 179.97 179.62 2jal h ALA 200 N 1.21 0.15 -0.43 0.04 0.00 -0.53 -1.50 119.26 118.20 2jal h ALA 200 Ca 0.27 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2jal h ALA 200 Cb 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2jal h ALA 200 CO -0.04 -0.05 -0.14 1.25 0.00 0.00 0.00 179.25 180.27 2jal h HIS 201 N -0.15 -0.31 -0.42 0.00 -0.00 -0.63 -1.41 115.15 112.23 2jal h HIS 201 Ca 0.02 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 2jal h HIS 201 Cb 0.55 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.15 2jal h HIS 201 CO 0.08 -0.22 -0.01 0.00 -0.00 0.00 0.00 177.93 177.78 2jal h ALA 202 N 1.35 1.20 -0.60 5.26 0.00 -0.78 -1.22 119.26 124.48 2jal h ALA 202 Ca 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2jal h ALA 202 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jal h ALA 202 CO -0.46 0.52 0.11 -0.09 0.00 0.00 0.00 179.25 179.32 2jal h ARG 203 N 0.64 0.98 -0.36 0.00 9.65 -0.91 -0.76 114.38 123.62 2jal h ARG 203 Ca 0.13 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 2jal h ARG 203 Cb 0.41 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2jal h ARG 203 CO 0.02 0.92 0.15 0.00 2.80 0.00 0.00 179.97 183.86 2jal h ALA 204 N 1.02 0.47 -0.73 2.80 0.00 -0.93 -0.84 119.26 121.04 2jal h ALA 204 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jal h ALA 204 Cb 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2jal h ALA 204 CO 0.01 0.06 0.47 0.28 0.00 0.00 0.00 179.25 180.07 2jal h VAL 205 N 0.43 1.14 -0.53 0.00 2.07 -1.03 0.10 116.25 118.43 2jal h VAL 205 Ca 0.12 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jal h VAL 205 Cb 0.18 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 2jal h VAL 205 CO -0.01 0.17 0.20 0.50 0.02 0.00 0.00 177.57 178.45 2jal h LYS 206 N 0.93 0.38 -0.43 1.57 3.64 -0.88 -2.05 116.57 119.72 2jal h LYS 206 Ca 0.28 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.50 2jal h LYS 206 Cb -0.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2jal h LYS 206 CO -0.09 0.25 -0.28 0.28 -2.27 0.00 0.00 179.45 177.34 2jal h VAL 207 N 0.39 1.27 -0.53 2.00 2.07 -0.71 -3.04 116.25 117.70 2jal h VAL 207 Ca 0.25 -1.45 0.10 0.00 0.82 0.00 0.00 66.70 66.43 2jal h VAL 207 Cb 0.27 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2jal h VAL 207 CO -0.25 0.49 0.04 0.15 0.02 0.00 0.00 177.57 178.02 2jal h PHE 208 N 0.79 0.04 -0.11 1.57 3.57 -0.33 -1.87 116.94 120.60 2jal h PHE 208 Ca 0.09 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2jal h PHE 208 Cb 0.86 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2jal h PHE 208 CO 0.05 -0.09 0.09 0.00 -2.23 0.00 0.00 178.31 176.14 2jal h ARG 209 N 0.16 0.00 0.00 1.11 2.47 -1.27 0.25 114.38 117.10 2jal h ARG 209 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2jal h ARG 209 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2jal h ARG 209 CO -0.41 0.00 -0.65 0.93 0.56 0.00 0.00 179.97 180.40 2jal h GLU 210 N 0.00 0.00 0.00 0.04 5.08 -1.33 -3.41 114.58 114.95 2jal h GLU 210 Ca 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jal h GLU 210 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jal h GLU 210 CO -0.00 0.00 -1.20 2.41 -1.00 0.00 0.00 179.01 179.22 2jal n THR 211 N -2.27 0.20 -3.47 1.13 -1.04 -0.69 -4.86 114.28 103.28 2jal n THR 211 Ca 0.03 -0.10 -0.26 0.00 -2.04 0.00 0.00 64.05 61.67 2jal n THR 211 Cb 0.46 -0.77 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 2jal n THR 211 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jal n VAL 212 N -2.37 0.86 0.37 12.58 0.31 0.80 -4.91 118.33 125.97 2jal n VAL 212 Ca -0.06 -4.55 0.08 0.00 -0.01 0.00 0.00 64.34 59.80 2jal n VAL 212 Cb 0.58 -2.01 0.37 0.00 -0.91 0.00 0.00 33.84 31.87 2jal n VAL 212 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2jal n LYS 213 N 1.55 0.09 -0.18 5.55 5.02 -1.26 -2.38 118.16 126.55 2jal n LYS 213 Ca 0.25 0.38 0.07 0.00 -2.02 0.00 0.00 58.31 56.99 2jal n LYS 213 Cb 0.44 -1.68 0.16 0.00 -0.02 0.00 0.00 35.03 33.93 2jal n LYS 213 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jal n ASP 214 N -1.85 2.96 -4.54 4.39 5.68 -1.26 -5.06 116.55 116.86 2jal n ASP 214 Ca 0.02 -1.91 -0.21 0.00 -0.50 0.00 0.00 54.79 52.19 2jal n ASP 214 Cb 0.16 -0.23 0.02 0.00 -1.14 0.00 0.00 41.12 39.94 2jal n ASP 214 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jal n GLY 215 N 0.78 2.46 3.19 6.12 0.00 -1.00 -5.01 105.19 111.73 2jal n GLY 215 Ca 0.13 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 2jal n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jal s LYS 216 N -4.13 1.70 0.03 1.61 1.02 0.15 -5.02 119.74 115.10 2jal s LYS 216 Ca 0.38 -0.70 0.05 0.00 0.02 0.00 0.00 55.97 55.72 2jal s LYS 216 Cb -0.03 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.67 2jal s LYS 216 CO 0.24 0.39 -0.14 -1.50 -0.92 0.00 0.00 175.35 173.42 2jal s ILE 217 N -0.34 1.09 0.00 2.17 2.07 -1.26 -1.03 121.20 123.89 2jal s ILE 217 Ca 0.05 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 2jal s ILE 217 Cb -0.09 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.52 2jal s ILE 217 CO 0.00 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2jal n GLY 218 N 2.00 4.14 3.39 1.50 0.00 -0.57 -0.09 105.19 115.56 2jal n GLY 218 Ca -0.18 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 2jal n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jal s ILE 219 N -1.73 0.03 -0.09 -0.61 2.07 -1.22 -1.54 121.20 118.11 2jal s ILE 219 Ca 0.00 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.05 2jal s ILE 219 Cb 0.00 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.76 2jal s ILE 219 CO 0.00 -0.12 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.00 2jal s VAL 220 N -1.26 2.35 0.06 4.00 1.01 -0.84 -0.69 120.40 125.03 2jal s VAL 220 Ca -0.12 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2jal s VAL 220 Cb -0.02 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2jal s VAL 220 CO 0.07 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.14 2jal s PHE 221 N 0.10 2.00 0.45 5.22 0.08 -0.29 -1.31 117.98 124.22 2jal s PHE 221 Ca -0.10 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.35 2jal s PHE 221 Cb -0.16 -1.16 -0.10 0.00 -0.57 0.00 0.00 43.02 41.03 2jal s PHE 221 CO 0.06 0.15 0.99 0.54 -0.10 0.00 0.00 175.22 176.86 2jal s ASN 222 N -1.42 6.71 -0.11 1.36 4.22 -1.26 -0.39 114.94 124.04 2jal s ASN 222 Ca 0.09 1.79 -0.09 0.00 -2.14 0.00 0.00 52.86 52.51 2jal s ASN 222 Cb -0.09 -2.55 0.03 0.00 1.28 0.00 0.00 41.25 39.92 2jal s ASN 222 CO 0.03 -0.52 0.29 0.20 -2.04 0.00 0.00 177.10 175.05 2jal s ASN 223 N -2.09 -0.31 0.22 3.54 0.01 -0.90 -4.11 114.94 111.30 2jal s ASN 223 Ca 0.64 0.59 0.06 0.00 -0.71 0.00 0.00 52.86 53.44 2jal s ASN 223 Cb -0.12 0.57 -0.04 0.00 0.41 0.00 0.00 41.25 42.07 2jal s ASN 223 CO 0.16 -0.12 0.19 -0.83 -1.51 0.00 0.00 177.10 174.99 2jal s GLY 224 N 0.39 1.51 -0.46 0.66 0.00 -1.26 -4.19 107.32 103.97 2jal s GLY 224 Ca -0.02 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.21 2jal s GLY 224 CO -0.02 -1.36 0.42 -0.47 0.00 0.00 0.00 173.10 171.67 2jal s TYR 225 N -1.98 3.20 -0.08 1.90 5.04 -0.41 -4.98 117.35 120.05 2jal s TYR 225 Ca 0.32 -0.74 -0.08 0.00 -2.44 0.00 0.00 57.07 54.13 2jal s TYR 225 Cb -0.09 -3.09 -0.04 0.00 0.35 0.00 0.00 41.96 39.09 2jal s TYR 225 CO 0.25 -0.78 0.20 -0.06 -1.34 0.00 0.00 175.55 173.82 2jal s PHE 226 N 1.86 3.62 0.01 4.97 0.08 -1.26 -0.12 117.98 127.14 2jal s PHE 226 Ca 0.07 0.62 -0.00 0.00 0.12 0.00 0.00 56.93 57.73 2jal s PHE 226 Cb -0.22 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 2jal s PHE 226 CO 0.09 0.71 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.70 2jal s GLU 227 N -1.14 0.15 0.22 0.44 2.02 0.50 -4.94 118.70 115.96 2jal s GLU 227 Ca 0.18 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 2jal s GLU 227 Cb -0.13 0.05 -0.09 0.00 0.10 0.00 0.00 34.13 34.07 2jal s GLU 227 CO 0.07 -0.02 0.80 -1.25 0.02 0.00 0.00 175.26 174.88 2jal s PRO 228 N -0.65 4.48 0.26 0.39 0.04 -1.26 -0.53 135.00 137.72 2jal s PRO 228 Ca -0.07 1.11 0.25 0.00 0.04 0.00 0.00 61.00 62.34 2jal s PRO 228 Cb -0.04 -3.03 0.90 0.00 0.04 0.00 0.00 34.50 32.37 2jal s PRO 228 CO -0.00 0.44 1.75 0.00 0.04 0.00 0.00 177.00 179.23 2jal h ALA 229 N 3.74 1.00 -3.00 8.56 0.00 -1.63 -3.45 119.26 124.48 2jal h ALA 229 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jal h ALA 229 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jal h ALA 229 CO 0.66 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 2jal n SER 230 N -2.33 0.64 -3.31 0.00 3.41 -1.26 -5.09 113.62 105.68 2jal n SER 230 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 2jal n SER 230 Cb 0.34 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 2jal n SER 230 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jal s GLU 231 N 4.43 0.54 0.00 4.33 2.02 -1.26 -5.21 118.70 123.55 2jal s GLU 231 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2jal s GLU 231 Cb 0.00 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.83 2jal s GLU 231 CO 0.00 -1.11 0.00 -2.13 0.02 0.00 0.00 175.26 172.04 2jal n ARG 237 N 4.85 0.00 0.23 1.61 0.63 -1.26 -5.20 116.66 117.51 2jal n ARG 237 Ca 0.06 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.05 2jal n ARG 237 Cb 0.49 0.00 0.54 0.00 0.45 0.00 0.00 32.46 33.94 2jal n ARG 237 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jal h ALA 238 N 0.00 1.79 -0.19 5.13 0.00 -1.94 -1.16 119.26 122.89 2jal h ALA 238 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2jal h ALA 238 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jal h ALA 238 CO 0.00 0.16 -0.55 0.28 0.00 0.00 0.00 179.25 179.14 2jal h VAL 239 N 0.02 1.32 -0.41 0.00 2.07 -1.93 -1.56 116.25 115.76 2jal h VAL 239 Ca 0.00 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.61 2jal h VAL 239 Cb 0.21 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2jal h VAL 239 CO 0.01 0.56 -0.24 -0.09 0.02 0.00 0.00 177.57 177.83 2jal h ARG 240 N 0.44 0.89 -0.24 1.57 2.43 -1.84 -1.93 114.38 115.70 2jal h ARG 240 Ca 0.01 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2jal h ARG 240 Cb 1.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2jal h ARG 240 CO 0.10 1.06 0.15 0.35 -1.51 0.00 0.00 179.97 180.12 2jal h PHE 241 N 0.71 0.31 -0.56 2.20 3.57 -1.21 -2.18 116.94 119.79 2jal h PHE 241 Ca 0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2jal h PHE 241 Cb 0.81 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 2jal h PHE 241 CO 0.06 0.23 0.31 0.52 -2.23 0.00 0.00 178.31 177.20 2jal h MET 242 N 0.30 0.77 -0.30 1.11 2.86 -1.15 0.79 114.93 119.32 2jal h MET 242 Ca 0.09 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2jal h MET 242 Cb 0.01 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 2jal h MET 242 CO -0.02 0.59 -0.01 1.25 1.06 0.00 0.00 176.91 179.78 2jal h HIS 243 N 0.75 -0.03 -0.01 -0.22 -0.00 -1.35 0.10 115.15 114.39 2jal h HIS 243 Ca 0.20 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.44 2jal h HIS 243 Cb 0.04 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2jal h HIS 243 CO -0.02 -0.06 -0.67 1.96 -0.00 0.00 0.00 177.93 179.14 2jal h GLN 244 N 0.08 0.05 0.00 5.26 4.20 -0.77 -2.07 115.11 121.86 2jal h GLN 244 Ca 0.14 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 2jal h GLN 244 Cb 0.19 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2jal h GLN 244 CO -0.25 0.70 -0.64 0.35 -0.67 0.00 0.00 178.83 178.32 2jal h PHE 245 N 0.03 0.00 0.00 2.96 3.57 -0.76 -2.42 116.94 120.33 2jal h PHE 245 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2jal h PHE 245 Cb 1.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2jal h PHE 245 CO 0.00 0.57 -0.33 -0.91 -2.23 0.00 0.00 178.31 175.42 2jal h ASN 246 N -1.00 0.00 -5.52 0.41 2.35 -0.93 -3.42 115.58 107.48 2jal h ASN 246 Ca -0.11 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.23 2jal h ASN 246 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2jal h ASN 246 CO -0.07 0.33 -0.14 0.59 -1.65 0.00 0.00 177.43 176.48 2jal n ASN 247 N -3.21 2.03 -0.31 5.81 3.02 -0.78 -4.49 115.26 117.32 2jal n ASN 247 Ca 0.02 -2.31 0.35 0.00 -0.03 0.00 0.00 54.58 52.61 2jal n ASN 247 Cb 0.64 -0.14 0.73 0.00 -0.61 0.00 0.00 39.78 40.40 2jal n ASN 247 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2jal h TYR 248 N 0.41 0.00 -0.26 3.10 -0.00 -1.78 -2.98 116.97 115.46 2jal h TYR 248 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.52 2jal h TYR 248 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.66 2jal h TYR 248 CO 0.00 0.00 0.17 -1.35 -0.00 0.00 0.00 178.16 176.98 2jal h PRO 249 N 0.00 0.23 -0.94 0.10 0.11 -1.78 0.14 132.00 129.86 2jal h PRO 249 Ca 0.56 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 66.88 2jal h PRO 249 Cb 2.38 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 33.37 2jal h PRO 249 CO -0.01 0.15 0.62 1.25 -0.21 0.00 0.00 178.00 179.81 2jal h LEU 250 N 0.24 0.37 0.00 2.35 5.85 -1.27 -0.30 115.31 122.55 2jal h LEU 250 Ca 0.11 0.05 -0.31 0.00 0.84 0.00 0.00 57.88 58.56 2jal h LEU 250 Cb 0.13 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2jal h LEU 250 CO -0.02 0.13 -2.19 0.49 -0.34 0.00 0.00 178.44 176.51 2jal n PHE 251 N -4.50 0.00 0.10 1.25 3.72 -0.84 -4.43 117.46 112.76 2jal n PHE 251 Ca 0.21 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.58 2jal n PHE 251 Cb 0.77 -0.82 0.02 0.00 -0.94 0.00 0.00 39.48 38.51 2jal n PHE 251 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2jal h LEU 252 N 0.00 0.00 0.09 4.37 3.38 -0.54 -2.09 115.31 120.52 2jal h LEU 252 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jal h LEU 252 Cb 1.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2jal h LEU 252 CO -0.04 0.77 -0.09 -1.13 0.09 0.00 0.00 178.44 178.04 2jal h ASN 253 N 0.00 -0.24 -0.26 -0.43 -1.24 -1.26 0.01 115.58 112.16 2jal h ASN 253 Ca -0.01 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.08 2jal h ASN 253 Cb 1.45 0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.54 2jal h ASN 253 CO 0.10 -0.14 -0.08 -0.65 -1.29 0.00 0.00 177.43 175.37 2jal h PRO 254 N -0.20 -0.01 -0.49 6.67 0.11 -1.21 0.31 132.00 137.18 2jal h PRO 254 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2jal h PRO 254 Cb 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2jal h PRO 254 CO -0.03 -0.01 0.28 0.82 -0.21 0.00 0.00 178.00 178.85 2jal h ILE 255 N -0.02 1.16 0.04 4.15 2.04 -1.20 -0.66 117.51 123.02 2jal h ILE 255 Ca 0.13 -0.38 -0.33 0.00 1.00 0.00 0.00 64.86 65.27 2jal h ILE 255 Cb 0.21 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2jal h ILE 255 CO -0.28 0.17 -1.95 -1.22 0.00 0.00 0.00 178.15 174.86 2jal n TYR 256 N -4.68 0.89 0.10 1.37 4.01 -0.02 -4.29 117.16 114.53 2jal n TYR 256 Ca 0.02 0.26 0.03 0.00 -0.16 0.00 0.00 57.90 58.05 2jal n TYR 256 Cb 0.07 -1.14 -0.04 0.00 -0.31 0.00 0.00 39.34 37.91 2jal n TYR 256 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jal n ARG 257 N -3.18 1.87 -1.14 -0.72 1.74 0.94 -5.04 116.66 111.13 2jal n ARG 257 Ca -0.26 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2jal n ARG 257 Cb 1.06 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 2jal n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jal n GLY 258 N 1.79 0.50 3.56 -0.13 0.00 -0.26 -4.93 105.19 105.72 2jal n GLY 258 Ca -0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 2jal n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jal s ASP 259 N -2.87 -0.42 0.60 1.61 2.15 -1.22 -4.86 116.67 111.67 2jal s ASP 259 Ca 0.00 -0.15 -0.18 0.00 0.43 0.00 0.00 52.55 52.65 2jal s ASP 259 Cb 0.00 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 2jal s ASP 259 CO 0.00 -0.93 1.14 -0.31 -0.17 0.00 0.00 175.17 174.90 2jal s TYR 260 N -3.56 2.56 0.85 -5.34 2.02 -1.26 -1.38 117.35 111.24 2jal s TYR 260 Ca 0.05 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.19 2jal s TYR 260 Cb -0.02 -3.30 0.11 0.00 -0.40 0.00 0.00 41.96 38.35 2jal s TYR 260 CO -0.07 -1.79 1.13 -1.25 -1.57 0.00 0.00 175.55 172.00 2jal s PRO 261 N -3.60 1.56 0.11 -1.71 0.04 -1.26 -4.81 135.00 125.33 2jal s PRO 261 Ca 0.72 1.42 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 2jal s PRO 261 Cb -0.24 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2jal s PRO 261 CO 0.34 -2.21 1.75 1.49 0.04 0.00 0.00 177.00 178.41 2jal h GLU 262 N -1.48 0.13 0.00 4.56 4.81 -1.97 -2.38 114.58 118.26 2jal h GLU 262 Ca -0.44 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2jal h GLU 262 Cb 1.26 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2jal h GLU 262 CO 0.46 0.09 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.69 2jal h LEU 263 N 0.13 0.00 -0.27 1.64 3.38 -1.93 -2.45 115.31 115.81 2jal h LEU 263 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jal h LEU 263 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jal h LEU 263 CO -0.04 0.06 0.04 0.58 0.09 0.00 0.00 178.44 179.17 2jal h VAL 264 N 0.00 1.23 -0.77 1.22 2.07 -1.82 -2.55 116.25 115.62 2jal h VAL 264 Ca -0.00 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2jal h VAL 264 Cb 0.86 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2jal h VAL 264 CO 0.01 0.26 0.32 -0.07 0.02 0.00 0.00 177.57 178.10 2jal h LEU 265 N 0.26 1.05 -0.52 2.57 3.38 -1.25 0.55 115.31 121.35 2jal h LEU 265 Ca 0.08 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jal h LEU 265 Cb 0.35 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2jal h LEU 265 CO 0.01 0.93 0.24 -0.33 0.09 0.00 0.00 178.44 179.38 2jal h GLU 266 N 1.12 0.46 -0.11 1.13 5.08 -1.42 -0.71 114.58 120.12 2jal h GLU 266 Ca 0.26 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 2jal h GLU 266 Cb 0.19 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jal h GLU 266 CO -0.02 0.30 -0.56 0.35 -1.00 0.00 0.00 179.01 178.08 2jal h PHE 267 N 0.47 0.78 -0.00 4.33 3.57 -1.13 -3.42 116.94 121.54 2jal h PHE 267 Ca 0.24 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2jal h PHE 267 Cb 0.18 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2jal h PHE 267 CO -0.12 1.13 0.00 0.00 -2.23 0.00 0.00 178.31 177.10 2jal n ALA 268 N -2.56 2.39 -0.33 2.41 0.00 0.19 -4.71 120.51 117.90 2jal n ALA 268 Ca -0.08 -0.61 0.11 0.00 0.00 0.00 0.00 53.44 52.86 2jal n ALA 268 Cb 0.63 -0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.40 2jal n ALA 268 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2jal h ARG 269 N 0.01 0.78 0.00 0.00 9.65 -1.27 -0.01 114.38 123.54 2jal h ARG 269 Ca 0.00 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2jal h ARG 269 Cb 0.11 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2jal h ARG 269 CO 0.00 0.52 -0.00 1.49 2.80 0.00 0.00 179.97 184.78 2jal h GLU 270 N 0.81 0.00 0.00 0.20 4.57 -1.84 -2.94 114.58 115.37 2jal h GLU 270 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2jal h GLU 270 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2jal h GLU 270 CO -0.30 0.00 -1.21 0.66 -1.18 0.00 0.00 179.01 176.98 2jal n TYR 271 N -4.23 0.34 -2.10 0.92 4.01 -0.04 -4.92 117.16 111.14 2jal n TYR 271 Ca -0.03 0.10 -0.32 0.00 -0.16 0.00 0.00 57.90 57.49 2jal n TYR 271 Cb 0.09 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.57 2jal n TYR 271 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jal s LEU 272 N -4.29 3.42 0.57 7.72 1.43 -1.07 -4.27 118.68 122.20 2jal s LEU 272 Ca 0.01 1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.45 2jal s LEU 272 Cb 0.13 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.80 2jal s LEU 272 CO 0.82 -0.81 0.92 -2.65 0.23 0.00 0.00 176.35 174.87 2jal n PRO 273 N -2.18 0.93 -0.29 1.29 -0.02 -1.26 -4.87 135.00 128.59 2jal n PRO 273 Ca 0.07 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.85 2jal n PRO 273 Cb 0.54 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.99 2jal n PRO 273 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jal h GLU 274 N 0.63 1.07 -0.87 -0.52 4.81 -1.94 -2.80 114.58 114.96 2jal h GLU 274 Ca -0.48 -0.10 -0.61 0.00 -0.13 0.00 0.00 59.36 58.05 2jal h GLU 274 Cb 1.36 -0.22 -0.36 0.00 0.63 0.00 0.00 28.75 30.16 2jal h GLU 274 CO 0.51 0.76 0.03 0.09 -0.73 0.00 0.00 179.01 179.68 2jal n ASN 275 N -4.47 6.26 0.17 1.04 4.13 -1.26 -4.77 115.26 116.36 2jal n ASN 275 Ca 0.08 -3.77 0.08 0.00 1.68 0.00 0.00 54.58 52.65 2jal n ASN 275 Cb 0.06 -0.66 0.60 0.00 -1.54 0.00 0.00 39.78 38.23 2jal n ASN 275 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 2jal h TYR 276 N 2.07 0.12 0.00 3.10 -0.00 -1.86 -1.98 116.97 118.42 2jal h TYR 276 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.21 2jal h TYR 276 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 2jal h TYR 276 CO 1.15 0.07 -0.06 0.87 -0.00 0.00 0.00 178.16 180.19 2jal h LYS 277 N 0.13 0.00 -0.06 0.10 1.57 -1.87 -1.88 116.57 114.55 2jal h LYS 277 Ca 0.06 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2jal h LYS 277 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jal h LYS 277 CO -0.01 0.06 0.13 -0.44 -0.57 0.00 0.00 179.45 178.62 2jal h ASP 278 N 0.00 0.00 0.37 0.86 3.32 -1.76 -1.80 116.42 117.41 2jal h ASP 278 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jal h ASP 278 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jal h ASP 278 CO 0.01 0.00 -0.85 0.47 -1.72 0.00 0.00 179.24 177.15 2jal n ASP 279 N -3.40 0.66 -0.08 6.45 8.00 -0.71 -4.54 116.55 122.93 2jal n ASP 279 Ca -0.01 -0.39 -0.06 0.00 0.71 0.00 0.00 54.79 55.04 2jal n ASP 279 Cb 0.21 0.66 0.13 0.00 -0.02 0.00 0.00 41.12 42.10 2jal n ASP 279 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2jal h MET 280 N 0.00 0.75 -0.83 -1.24 2.86 -1.41 -2.58 114.93 112.48 2jal h MET 280 Ca 0.00 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2jal h MET 280 Cb 0.61 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 2jal h MET 280 CO 0.00 0.86 0.51 0.66 1.06 0.00 0.00 176.91 180.00 2jal h SER 281 N 0.67 0.81 0.08 1.22 4.64 -1.80 -2.34 113.55 116.84 2jal h SER 281 Ca 0.11 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 2jal h SER 281 Cb 0.63 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2jal h SER 281 CO 0.04 0.52 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.74 2jal h GLU 282 N 0.95 0.45 0.00 4.77 5.08 -1.79 -2.84 114.58 121.19 2jal h GLU 282 Ca 0.36 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2jal h GLU 282 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jal h GLU 282 CO -0.17 0.82 -0.07 0.82 -1.00 0.00 0.00 179.01 179.41 2jal h ILE 283 N 0.36 0.50 0.00 3.13 2.04 -1.05 -2.83 117.51 119.66 2jal h ILE 283 Ca 0.02 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2jal h ILE 283 Cb 0.94 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2jal h ILE 283 CO 0.08 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.30 2jal n GLN 284 N -3.67 0.67 -1.61 2.37 6.02 -0.98 -4.44 117.38 115.74 2jal n GLN 284 Ca -0.02 0.00 -0.57 0.00 -0.01 0.00 0.00 57.00 56.39 2jal n GLN 284 Cb 0.17 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.15 2jal n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2jal n GLU 285 N -0.70 0.66 -1.70 -1.09 4.07 -1.07 -4.82 120.64 115.98 2jal n GLU 285 Ca 0.07 0.24 -0.43 0.00 -0.06 0.00 0.00 57.16 56.97 2jal n GLU 285 Cb 0.03 -1.83 -0.03 0.00 -0.06 0.00 0.00 31.44 29.55 2jal n GLU 285 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2jal n LYS 286 N 2.99 2.50 -4.07 5.31 4.81 -1.26 -5.01 118.16 123.42 2jal n LYS 286 Ca 0.22 0.90 -0.25 0.00 -0.87 0.00 0.00 58.31 58.31 2jal n LYS 286 Cb 0.11 -2.69 -0.05 0.00 0.02 0.00 0.00 35.03 32.42 2jal n LYS 286 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2jal s ILE 287 N 0.77 4.58 -0.09 3.15 -4.36 -1.26 -5.00 121.20 118.99 2jal s ILE 287 Ca 0.74 -1.10 0.15 0.00 -0.26 0.00 0.00 60.65 60.18 2jal s ILE 287 Cb -0.57 -3.37 -0.18 0.00 1.25 0.00 0.00 42.46 39.58 2jal s ILE 287 CO 0.38 -0.16 0.72 0.47 0.24 0.00 0.00 174.94 176.59 2jal n ASP 288 N -0.56 0.82 -3.53 4.36 8.00 0.87 -4.91 116.55 121.61 2jal n ASP 288 Ca -0.08 0.37 -0.11 0.00 0.71 0.00 0.00 54.79 55.68 2jal n ASP 288 Cb 0.55 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 2jal n ASP 288 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2jal s PHE 289 N -2.77 -0.39 -0.13 1.24 -0.12 -1.20 -3.84 117.98 110.77 2jal s PHE 289 Ca -0.04 0.12 -0.00 0.00 -0.05 0.00 0.00 56.93 56.96 2jal s PHE 289 Cb 0.08 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2jal s PHE 289 CO 0.82 -0.84 -0.13 0.08 -0.05 0.00 0.00 175.22 175.11 2jal s VAL 290 N -3.79 3.09 -0.20 -2.49 1.01 -0.49 -3.41 120.40 114.13 2jal s VAL 290 Ca 0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2jal s VAL 290 Cb -0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 2jal s VAL 290 CO -0.11 0.52 0.25 -0.83 0.00 0.00 0.00 175.10 174.94 2jal s GLY 291 N 0.34 2.09 -0.11 4.51 0.00 0.13 -1.26 107.32 113.02 2jal s GLY 291 Ca -0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 2jal s GLY 291 CO 0.06 0.46 -0.09 1.08 0.00 0.00 0.00 173.10 174.61 2jal s LEU 292 N 0.82 3.01 0.01 0.66 1.43 -0.15 -1.14 118.68 123.32 2jal s LEU 292 Ca 0.13 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2jal s LEU 292 Cb -0.13 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2jal s LEU 292 CO 0.04 0.26 0.09 0.20 0.23 0.00 0.00 176.35 177.17 2jal s ASN 293 N -0.17 5.73 -0.19 2.29 0.01 0.47 -1.34 114.94 121.73 2jal s ASN 293 Ca 0.01 0.14 -0.17 0.00 -0.71 0.00 0.00 52.86 52.14 2jal s ASN 293 Cb -0.13 -1.65 0.05 0.00 0.41 0.00 0.00 41.25 39.93 2jal s ASN 293 CO 0.03 0.26 0.50 -0.47 -1.51 0.00 0.00 177.10 175.91 2jal s TYR 294 N -1.24 -0.58 0.00 2.20 5.04 -0.61 -2.13 117.35 120.03 2jal s TYR 294 Ca 0.24 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 2jal s TYR 294 Cb -0.12 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.40 2jal s TYR 294 CO 0.16 -0.28 0.00 2.48 -1.34 0.00 0.00 175.55 176.56 2jal n TYR 295 N 2.99 0.00 -3.53 4.97 0.18 -1.26 -4.27 117.16 116.24 2jal n TYR 295 Ca -0.15 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.51 2jal n TYR 295 Cb 0.56 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.49 2jal n TYR 295 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jal s SER 296 N 0.00 -0.43 0.28 9.48 1.04 -1.26 -4.71 113.70 118.10 2jal s SER 296 Ca 0.00 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.49 2jal s SER 296 Cb 0.00 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2jal s SER 296 CO 0.00 -0.85 -0.01 -0.83 0.98 0.00 0.00 173.24 172.53 2jal s GLY 297 N -2.51 1.74 -0.05 7.32 0.00 -1.21 -1.28 107.32 111.33 2jal s GLY 297 Ca -0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 44.72 42.96 2jal s GLY 297 CO -0.09 -1.76 0.13 0.30 0.00 0.00 0.00 173.10 171.67 2jal s HIS 298 N -2.37 -0.14 -0.03 1.90 3.76 0.83 -4.47 115.29 114.77 2jal s HIS 298 Ca 0.32 0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 55.39 2jal s HIS 298 Cb -0.05 -0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.58 2jal s HIS 298 CO 0.20 -0.10 0.66 -1.17 -0.85 0.00 0.00 174.74 173.48 2jal s LEU 299 N 0.50 4.37 -0.01 0.89 2.96 -1.26 -0.37 118.68 125.76 2jal s LEU 299 Ca -0.04 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2jal s LEU 299 Cb -0.05 -3.03 -0.00 0.00 0.50 0.00 0.00 46.19 43.61 2jal s LEU 299 CO -0.02 -0.01 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 2jal s VAL 300 N 0.31 0.61 0.01 1.68 1.01 0.31 -0.50 120.40 123.82 2jal s VAL 300 Ca 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2jal s VAL 300 Cb -0.18 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2jal s VAL 300 CO 0.18 0.18 -0.01 -0.54 0.00 0.00 0.00 175.10 174.92 2jal s LYS 301 N -0.02 0.16 0.26 2.72 1.02 -0.84 -1.49 119.74 121.54 2jal s LYS 301 Ca 0.01 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.41 2jal s LYS 301 Cb -0.05 0.06 -0.12 0.00 -0.52 0.00 0.00 37.83 37.19 2jal s LYS 301 CO -0.00 -0.03 1.54 0.34 -0.92 0.00 0.00 175.35 176.28 2jal n PHE 302 N 2.37 2.56 -3.52 3.18 7.35 -1.26 -1.91 117.46 126.23 2jal n PHE 302 Ca -0.18 0.30 -0.19 0.00 -0.76 0.00 0.00 57.45 56.62 2jal n PHE 302 Cb 0.58 -2.55 -0.14 0.00 0.35 0.00 0.00 39.48 37.72 2jal n PHE 302 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jal s ASP 303 N 0.50 1.50 0.48 -2.13 2.15 -0.89 -4.82 116.67 113.46 2jal s ASP 303 Ca 0.67 -0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.69 2jal s ASP 303 Cb -0.56 0.29 1.65 0.00 -0.30 0.00 0.00 42.92 43.99 2jal s ASP 303 CO 0.47 -0.33 1.92 -0.65 -0.17 0.00 0.00 175.17 176.41 2jal h PRO 304 N 8.33 0.00 -1.20 4.34 0.11 -1.94 -3.31 132.00 138.33 2jal h PRO 304 Ca -0.17 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.52 2jal h PRO 304 Cb 1.15 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.06 2jal h PRO 304 CO 0.28 0.00 0.55 -0.25 -0.21 0.00 0.00 178.00 178.36 2jal n ASP 305 N -2.60 5.69 0.00 -2.05 8.00 -1.26 -4.89 116.55 119.44 2jal n ASP 305 Ca -0.02 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.22 2jal n ASP 305 Cb 0.10 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2jal n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jal n ALA 308 N -0.33 0.00 -1.30 2.24 0.00 -1.26 -5.06 120.51 114.80 2jal n ALA 308 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2jal n ALA 308 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.31 2jal n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jal n LYS 309 N 0.00 -0.18 -3.82 0.00 4.76 -1.26 -5.04 118.16 112.62 2jal n LYS 309 Ca 0.00 0.48 -0.13 0.00 -2.87 0.00 0.00 58.31 55.79 2jal n LYS 309 Cb 0.00 -4.09 -0.14 0.00 -1.84 0.00 0.00 35.03 28.96 2jal n LYS 309 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jal s VAL 310 N -2.10 -0.02 0.16 -0.18 1.01 -1.25 -2.10 120.40 115.93 2jal s VAL 310 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2jal s VAL 310 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 2jal s VAL 310 CO 0.00 0.03 -0.05 -0.94 0.00 0.00 0.00 175.10 174.14 2jal s SER 311 N 0.43 1.57 0.14 3.32 1.04 -0.80 -4.85 113.70 114.55 2jal s SER 311 Ca -0.03 -1.09 -0.10 0.00 0.48 0.00 0.00 55.95 55.20 2jal s SER 311 Cb -0.05 0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.05 2jal s SER 311 CO -0.01 -0.45 0.46 -0.36 0.98 0.00 0.00 173.24 173.86 2jal s PHE 312 N -3.47 3.53 -0.19 5.02 0.40 -1.26 -1.98 117.98 120.04 2jal s PHE 312 Ca 0.20 0.83 -0.04 0.00 -0.60 0.00 0.00 56.93 57.32 2jal s PHE 312 Cb 0.04 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 2jal s PHE 312 CO 0.02 0.43 -0.02 0.08 0.70 0.00 0.00 175.22 176.43 2jal s VAL 313 N -1.55 3.84 0.39 -0.44 1.01 0.34 -4.95 120.40 119.03 2jal s VAL 313 Ca 0.39 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 2jal s VAL 313 Cb -0.13 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 2jal s VAL 313 CO 0.20 0.45 1.25 -0.70 0.00 0.00 0.00 175.10 176.30 2jal s GLU 314 N 0.87 4.09 0.08 2.72 2.12 -1.26 -4.21 118.70 123.11 2jal s GLU 314 Ca 0.00 2.06 0.09 0.00 0.36 0.00 0.00 54.97 57.47 2jal s GLU 314 Cb -0.14 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 2jal s GLU 314 CO 0.02 -0.36 -0.23 1.03 -0.54 0.00 0.00 175.26 175.18 2jal s ARG 315 N -2.14 1.41 0.00 4.30 0.52 -1.26 -5.02 118.95 116.76 2jal s ARG 315 Ca 0.55 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2jal s ARG 315 Cb -0.36 -1.66 0.18 0.00 0.52 0.00 0.00 34.95 33.63 2jal s ARG 315 CO 0.46 0.41 0.60 -3.47 0.02 0.00 0.00 175.30 173.32 2jal n ASP 316 N 1.42 0.00 -4.73 0.23 2.03 -1.26 -4.85 116.55 109.39 2jal n ASP 316 Ca -0.18 -0.75 -0.34 0.00 0.52 0.00 0.00 54.79 54.03 2jal n ASP 316 Cb 0.53 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.01 2jal n ASP 316 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jal s LEU 317 N -1.22 3.36 0.53 -2.67 1.02 -1.26 -4.96 118.68 113.48 2jal s LEU 317 Ca 0.05 2.32 -0.22 0.00 0.02 0.00 0.00 54.13 56.30 2jal s LEU 317 Cb 0.02 -4.59 -0.06 0.00 0.02 0.00 0.00 46.19 41.59 2jal s LEU 317 CO 0.03 -2.12 1.21 -0.81 0.02 0.00 0.00 176.35 174.69 2jal n PRO 318 N -2.56 1.47 -4.23 1.29 -0.04 -1.26 -4.88 135.00 124.79 2jal n PRO 318 Ca 0.13 0.54 -0.15 0.00 -0.04 0.00 0.00 63.50 63.98 2jal n PRO 318 Cb 0.50 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 2jal n PRO 318 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jal s LYS 319 N -2.69 1.01 0.77 0.54 1.02 -1.26 -1.48 119.74 117.65 2jal s LYS 319 Ca 0.71 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 2jal s LYS 319 Cb -0.44 -0.70 0.17 0.00 -0.52 0.00 0.00 37.83 36.34 2jal s LYS 319 CO 0.50 0.11 1.05 0.25 -0.92 0.00 0.00 175.35 176.35 2jal n THR 320 N 0.20 0.00 0.33 2.17 -2.24 -0.33 -4.86 114.28 109.55 2jal n THR 320 Ca -0.13 -0.99 0.22 0.00 -2.27 0.00 0.00 64.05 60.87 2jal n THR 320 Cb 0.59 -1.39 1.12 0.00 -2.10 0.00 0.00 70.33 68.55 2jal n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jal h ALA 321 N -1.45 1.02 0.00 6.98 0.00 -1.17 0.24 119.26 124.88 2jal h ALA 321 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jal h ALA 321 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jal h ALA 321 CO 0.27 0.00 0.00 0.52 0.00 0.00 0.00 179.25 180.05 2jal h MET 322 N 0.00 0.00 0.00 0.00 2.86 -1.93 -3.47 114.93 112.39 2jal h MET 322 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jal h MET 322 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2jal h MET 322 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2jal n GLY 323 N 0.43 0.64 3.70 8.32 0.00 0.07 -5.04 105.19 113.30 2jal n GLY 323 Ca 0.02 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2jal n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jal s TRP 324 N -2.00 3.52 0.18 1.61 0.51 -1.26 -4.75 118.94 116.75 2jal s TRP 324 Ca 0.00 1.19 -0.31 0.00 -2.12 0.00 0.00 56.10 54.86 2jal s TRP 324 Cb 0.00 -2.83 -0.10 0.00 -0.81 0.00 0.00 33.47 29.73 2jal s TRP 324 CO 0.00 -0.01 1.49 -1.21 -0.51 0.00 0.00 176.95 176.71 2jal s GLU 325 N 1.19 4.26 -0.53 4.98 2.02 -1.26 -1.18 118.70 128.17 2jal s GLU 325 Ca 0.36 2.28 -0.25 0.00 0.02 0.00 0.00 54.97 57.38 2jal s GLU 325 Cb -0.17 -3.16 0.04 0.00 0.10 0.00 0.00 34.13 30.93 2jal s GLU 325 CO 0.16 -0.51 0.95 0.42 0.02 0.00 0.00 175.26 176.30 2jal s ILE 326 N 0.79 4.39 -0.54 -1.63 1.01 -0.55 -3.32 121.20 121.35 2jal s ILE 326 Ca 0.66 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.78 2jal s ILE 326 Cb -0.42 -4.52 0.17 0.00 0.01 0.00 0.00 42.46 37.70 2jal s ILE 326 CO 0.34 -1.06 0.41 -0.69 0.00 0.00 0.00 174.94 173.94 2jal s VAL 327 N 3.96 1.45 0.43 2.92 1.01 -1.26 -4.83 120.40 124.09 2jal s VAL 327 Ca 0.33 -3.36 0.11 0.00 0.00 0.00 0.00 61.98 59.07 2jal s VAL 327 Cb -0.12 -1.97 0.21 0.00 0.00 0.00 0.00 36.38 34.50 2jal s VAL 327 CO 0.21 -1.13 2.01 -0.65 0.00 0.00 0.00 175.10 175.54 2jal h PRO 328 N 5.54 0.19 0.00 2.72 0.11 -1.93 -1.56 132.00 137.08 2jal h PRO 328 Ca 0.21 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 2jal h PRO 328 Cb 0.84 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 2jal h PRO 328 CO 0.52 0.25 -0.00 1.05 -0.21 0.00 0.00 178.00 179.61 2jal h GLU 329 N 0.19 0.00 -0.95 1.05 9.09 -1.95 -2.44 114.58 119.57 2jal h GLU 329 Ca 0.05 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.61 2jal h GLU 329 Cb 0.20 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.22 2jal h GLU 329 CO 0.01 0.00 0.60 0.78 0.05 0.00 0.00 179.01 180.45 2jal h GLY 330 N 0.11 1.42 1.45 1.06 0.00 -1.69 -0.37 103.07 105.05 2jal h GLY 330 Ca -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 2jal h GLY 330 CO 0.00 0.06 -0.37 1.19 0.00 0.00 0.00 176.54 177.42 2jal h ILE 331 N 0.75 1.29 -0.03 2.60 2.10 -1.64 -0.80 117.51 121.78 2jal h ILE 331 Ca 0.50 -1.52 -0.00 0.00 1.08 0.00 0.00 64.86 64.91 2jal h ILE 331 Cb 0.77 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 37.98 2jal h ILE 331 CO -0.26 0.49 0.01 0.22 -1.08 0.00 0.00 178.15 177.52 2jal h TYR 332 N 0.51 0.05 -0.44 2.19 5.03 -1.47 -2.56 116.97 120.27 2jal h TYR 332 Ca 0.05 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.41 2jal h TYR 332 Cb 0.87 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.09 2jal h TYR 332 CO 0.04 0.24 0.17 2.35 -1.32 0.00 0.00 178.16 179.64 2jal h TRP 333 N -0.16 0.30 -0.27 -3.82 7.01 -0.80 -1.26 115.95 116.95 2jal h TRP 333 Ca 0.01 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.91 2jal h TRP 333 Cb 0.22 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2jal h TRP 333 CO -0.00 0.12 -0.34 0.97 -2.79 0.00 0.00 178.44 176.40 2jal h ILE 334 N 0.34 1.29 -0.48 2.65 6.09 -1.21 0.48 117.51 126.68 2jal h ILE 334 Ca 0.21 -1.46 -0.13 0.00 -1.37 0.00 0.00 64.86 62.11 2jal h ILE 334 Cb 0.19 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.91 2jal h ILE 334 CO -0.20 0.46 -0.20 -0.07 -3.07 0.00 0.00 178.15 175.08 2jal h LEU 335 N 0.49 0.99 -0.08 2.19 3.38 -1.10 -1.95 115.31 119.23 2jal h LEU 335 Ca 0.05 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2jal h LEU 335 Cb 0.82 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2jal h LEU 335 CO 0.07 1.15 0.01 0.11 0.09 0.00 0.00 178.44 179.86 2jal h LYS 336 N 0.84 0.13 -0.84 1.13 1.79 -0.95 -3.03 116.57 115.64 2jal h LYS 336 Ca 0.11 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 2jal h LYS 336 Cb 0.76 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.34 2jal h LYS 336 CO 0.06 0.37 0.52 -0.22 -1.08 0.00 0.00 179.45 179.10 2jal h LYS 337 N -0.12 0.92 -0.48 3.15 1.63 -0.88 -0.03 116.57 120.76 2jal h LYS 337 Ca 0.02 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.65 2jal h LYS 337 Cb 0.30 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2jal h LYS 337 CO 0.00 0.61 -0.16 -0.24 -3.45 0.00 0.00 179.45 176.21 2jal h VAL 338 N 0.95 1.27 -0.23 2.00 3.04 -1.33 0.19 116.25 122.14 2jal h VAL 338 Ca 0.36 -1.30 -0.02 0.00 -1.01 0.00 0.00 66.70 64.73 2jal h VAL 338 Cb 0.15 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 2jal h VAL 338 CO -0.17 0.45 0.05 0.50 -1.01 0.00 0.00 177.57 177.39 2jal h LYS 339 N 0.81 0.37 -0.69 4.17 3.64 -1.37 -0.80 116.57 122.70 2jal h LYS 339 Ca 0.12 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2jal h LYS 339 Cb 0.71 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 2jal h LYS 339 CO 0.05 0.49 0.38 1.49 -2.27 0.00 0.00 179.45 179.60 2jal h GLU 340 N 0.18 0.67 0.18 1.90 4.81 -0.66 -1.73 114.58 119.93 2jal h GLU 340 Ca 0.07 -0.04 -0.35 0.00 -0.13 0.00 0.00 59.36 58.91 2jal h GLU 340 Cb 0.30 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jal h GLU 340 CO 0.00 0.44 -1.77 0.93 -0.73 0.00 0.00 179.01 177.88 2jal h GLU 341 N 0.69 0.38 0.00 1.92 5.08 -0.51 -3.42 114.58 118.72 2jal h GLU 341 Ca 0.32 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2jal h GLU 341 Cb 0.22 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jal h GLU 341 CO -0.20 1.31 -0.07 0.66 -1.00 0.00 0.00 179.01 179.71 2jal n TYR 342 N -3.59 0.00 -4.09 4.33 4.01 -0.36 -5.05 117.16 112.40 2jal n TYR 342 Ca -0.26 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.11 2jal n TYR 342 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.08 2jal n TYR 342 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jal n ASN 343 N -0.49 -2.19 -4.74 7.72 5.15 -0.65 -4.89 115.26 115.17 2jal n ASN 343 Ca 0.00 -1.22 -0.37 0.00 -0.60 0.00 0.00 54.58 52.39 2jal n ASN 343 Cb 0.00 -2.03 0.06 0.00 -0.53 0.00 0.00 39.78 37.28 2jal n ASN 343 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jal s PRO 344 N -7.14 2.64 0.20 1.20 0.04 -1.26 -4.92 135.00 125.76 2jal s PRO 344 Ca 0.28 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.26 2jal s PRO 344 Cb -0.14 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.65 2jal s PRO 344 CO 0.96 -1.52 1.72 -1.00 0.04 0.00 0.00 177.00 177.20 2jal h PRO 345 N 0.63 1.15 -5.33 0.56 0.13 -1.90 -3.44 132.00 123.80 2jal h PRO 345 Ca -0.51 -0.27 -0.46 0.00 -0.87 0.00 0.00 66.00 63.90 2jal h PRO 345 Cb 1.33 -0.16 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 2jal h PRO 345 CO 0.54 1.00 -0.80 -1.21 -0.23 0.00 0.00 178.00 177.30 2jal s GLU 346 N -5.34 0.99 0.07 0.86 2.02 -1.25 -4.78 118.70 111.27 2jal s GLU 346 Ca -0.12 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.26 2jal s GLU 346 Cb 0.15 -0.99 -0.03 0.00 0.10 0.00 0.00 34.13 33.35 2jal s GLU 346 CO 0.85 0.25 -0.24 0.08 0.02 0.00 0.00 175.26 176.22 2jal s VAL 347 N -0.71 1.93 0.01 2.63 1.01 -0.68 -1.39 120.40 123.19 2jal s VAL 347 Ca 0.03 -1.43 0.05 0.00 0.00 0.00 0.00 61.98 60.63 2jal s VAL 347 Cb -0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2jal s VAL 347 CO 0.01 0.18 -0.17 -0.31 0.00 0.00 0.00 175.10 174.81 2jal s TYR 348 N -0.92 1.48 -0.47 5.22 1.51 -0.39 -0.25 117.35 123.53 2jal s TYR 348 Ca 0.10 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.59 2jal s TYR 348 Cb -0.10 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2jal s TYR 348 CO 0.03 0.00 1.00 0.42 -1.11 0.00 0.00 175.55 175.89 2jal s ILE 349 N -0.53 4.38 -2.87 2.71 -1.09 -0.57 -0.98 121.20 122.26 2jal s ILE 349 Ca 0.06 0.91 0.25 0.00 -2.23 0.00 0.00 60.65 59.63 2jal s ILE 349 Cb -0.07 -4.49 0.28 0.00 -1.58 0.00 0.00 42.46 36.60 2jal s ILE 349 CO 0.00 -0.89 1.37 0.35 -1.23 0.00 0.00 174.94 174.54 2jal n THR 350 N 6.56 0.01 -3.51 2.92 -2.24 -0.45 -0.52 114.28 117.05 2jal n THR 350 Ca 0.08 -0.45 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2jal n THR 350 Cb 0.49 1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 69.93 2jal n THR 350 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jal s GLU 351 N -1.99 0.35 -0.28 -0.78 2.12 -1.23 -4.71 118.70 112.18 2jal s GLU 351 Ca 0.30 0.77 -0.17 0.00 0.36 0.00 0.00 54.97 56.24 2jal s GLU 351 Cb 0.20 0.34 0.09 0.00 0.26 0.00 0.00 34.13 35.03 2jal s GLU 351 CO 0.31 -0.10 0.76 1.21 -0.54 0.00 0.00 175.26 176.89 2jal s ASN 352 N 2.08 -0.84 0.00 -1.70 3.84 -1.02 -1.58 114.94 115.72 2jal s ASN 352 Ca -0.05 1.36 0.00 0.00 0.21 0.00 0.00 52.86 54.38 2jal s ASN 352 Cb -0.06 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 41.99 2jal s ASN 352 CO -0.17 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.54 2jal n GLY 353 N 4.08 -1.24 3.24 1.21 0.00 -1.25 -0.72 105.19 110.50 2jal n GLY 353 Ca -0.19 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2jal n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jal s ALA 354 N -1.78 -0.77 -0.22 4.61 0.00 -1.26 -4.87 121.76 117.47 2jal s ALA 354 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 2jal s ALA 354 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 2jal s ALA 354 CO 0.00 -0.29 0.14 0.00 0.00 0.00 0.00 175.76 175.61 2jal s ALA 355 N -1.56 3.62 0.16 0.00 0.00 -1.26 -4.41 121.76 118.30 2jal s ALA 355 Ca -0.12 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.09 2jal s ALA 355 Cb -0.04 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2jal s ALA 355 CO 0.03 -0.03 -0.10 -0.06 0.00 0.00 0.00 175.76 175.60 2jal s PHE 356 N 0.73 1.32 -1.36 0.00 0.08 -1.20 -0.53 117.98 117.03 2jal s PHE 356 Ca 0.07 -0.74 -0.16 0.00 0.12 0.00 0.00 56.93 56.22 2jal s PHE 356 Cb -0.12 -0.67 0.04 0.00 -0.57 0.00 0.00 43.02 41.70 2jal s PHE 356 CO 0.02 0.11 1.98 -0.25 -0.10 0.00 0.00 175.22 176.98 2jal n ASP 357 N -0.22 4.30 -4.75 1.36 8.00 -1.26 -4.45 116.55 119.52 2jal n ASP 357 Ca -0.10 -2.87 -0.41 0.00 0.71 0.00 0.00 54.79 52.12 2jal n ASP 357 Cb 0.61 -1.69 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 2jal n ASP 357 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jal s ASP 358 N 3.83 6.86 0.11 -2.24 1.01 -1.26 -5.05 116.67 119.93 2jal s ASP 358 Ca 0.51 2.49 0.07 0.00 0.71 0.00 0.00 52.55 56.34 2jal s ASP 358 Cb 0.09 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2jal s ASP 358 CO 0.00 -0.53 -0.18 0.68 0.21 0.00 0.00 175.17 175.35 2jal s VAL 359 N -0.24 1.58 -0.29 -1.27 -7.23 -1.26 -5.12 120.40 106.58 2jal s VAL 359 Ca 0.55 -1.60 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 2jal s VAL 359 Cb -0.38 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2jal s VAL 359 CO 0.42 -0.19 0.89 -0.69 -0.31 0.00 0.00 175.10 175.23 2jal s VAL 360 N -1.50 4.72 1.06 1.32 1.01 -1.26 -4.38 120.40 121.37 2jal s VAL 360 Ca 0.07 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 2jal s VAL 360 Cb -0.08 -4.22 0.22 0.00 0.00 0.00 0.00 36.38 32.30 2jal s VAL 360 CO 0.04 -0.25 1.07 -0.44 0.00 0.00 0.00 175.10 175.52 2jal s SER 361 N 1.51 2.04 0.53 3.32 0.01 -0.02 -4.91 113.70 116.19 2jal s SER 361 Ca 0.37 1.27 0.21 0.00 1.31 0.00 0.00 55.95 59.12 2jal s SER 361 Cb -0.14 -1.98 1.42 0.00 0.21 0.00 0.00 66.02 65.53 2jal s SER 361 CO 0.11 -3.51 2.15 1.05 0.41 0.00 0.00 173.24 173.46 2jal h GLU 362 N -2.15 0.00 0.00 12.44 9.09 -1.97 -1.80 114.58 130.19 2jal h GLU 362 Ca -0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.84 2jal h GLU 362 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 2jal h GLU 362 CO 0.55 0.04 0.00 -0.40 0.05 0.00 0.00 179.01 179.25 2jal n ASP 363 N -4.21 0.00 0.00 3.06 5.68 -1.26 -4.88 116.55 114.94 2jal n ASP 363 Ca -0.03 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 2jal n ASP 363 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2jal n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jal n GLY 364 N 0.67 0.79 3.72 6.12 0.00 -0.68 -5.04 105.19 110.77 2jal n GLY 364 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2jal n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jal s ARG 365 N -0.16 2.39 -0.38 1.61 1.81 -1.26 -4.85 118.95 118.11 2jal s ARG 365 Ca 0.00 -1.49 -0.01 0.00 -1.72 0.00 0.00 55.73 52.51 2jal s ARG 365 Cb 0.00 -2.20 0.11 0.00 -0.45 0.00 0.00 34.95 32.41 2jal s ARG 365 CO 0.00 0.17 0.15 0.08 -0.68 0.00 0.00 175.30 175.02 2jal s VAL 366 N -2.39 2.94 -1.32 3.52 1.01 -1.26 -0.84 120.40 122.06 2jal s VAL 366 Ca 0.36 -2.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.12 2jal s VAL 366 Cb -0.04 -3.05 0.14 0.00 0.00 0.00 0.00 36.38 33.43 2jal s VAL 366 CO 0.22 -0.65 2.13 1.41 0.00 0.00 0.00 175.10 178.22 2jal n HIS 367 N 4.48 2.77 -2.07 5.22 8.25 -1.26 -1.33 115.22 131.28 2jal n HIS 367 Ca -0.00 -2.81 -0.41 0.00 -0.26 0.00 0.00 57.72 54.23 2jal n HIS 367 Cb 0.42 -1.93 -0.00 0.00 1.12 0.00 0.00 29.99 29.59 2jal n HIS 367 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2jal n ASP 368 N 3.01 6.20 0.26 0.41 5.75 -1.26 -4.65 116.55 126.27 2jal n ASP 368 Ca 0.51 -3.04 0.08 0.00 -0.01 0.00 0.00 54.79 52.33 2jal n ASP 368 Cb 0.31 -1.47 0.64 0.00 -1.03 0.00 0.00 41.12 39.58 2jal n ASP 368 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2jal h GLN 369 N 5.35 0.00 -0.49 0.11 5.75 -1.98 -2.15 115.11 121.70 2jal h GLN 369 Ca 0.55 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 59.01 2jal h GLN 369 Cb 0.50 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2jal h GLN 369 CO 1.63 0.01 0.13 -2.95 -2.65 0.00 0.00 178.83 174.99 2jal h ASN 370 N 0.00 0.68 0.82 -0.69 7.08 -2.00 -1.06 115.58 120.40 2jal h ASN 370 Ca -0.00 -0.11 -0.22 0.00 -3.08 0.00 0.00 56.30 52.89 2jal h ASN 370 Cb 0.02 -0.18 -0.02 0.00 -2.08 0.00 0.00 38.32 36.06 2jal h ASN 370 CO 0.00 0.67 -1.01 -0.09 -2.08 0.00 0.00 177.43 174.92 2jal h ARG 371 N 0.71 0.10 -0.20 4.14 2.43 -1.80 -2.41 114.38 117.36 2jal h ARG 371 Ca 0.16 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2jal h ARG 371 Cb 0.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2jal h ARG 371 CO -0.00 1.02 0.11 0.82 -1.51 0.00 0.00 179.97 180.40 2jal h ILE 372 N 0.04 1.11 -0.68 1.20 2.04 -1.03 -1.37 117.51 118.82 2jal h ILE 372 Ca -0.05 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2jal h ILE 372 Cb 1.73 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 2jal h ILE 372 CO 0.15 0.11 0.43 0.44 0.00 0.00 0.00 178.15 179.28 2jal h ASP 373 N 0.21 0.79 0.28 1.72 3.32 -1.20 0.23 116.42 121.78 2jal h ASP 373 Ca 0.07 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jal h ASP 373 Cb 0.08 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2jal h ASP 373 CO -0.01 0.59 -0.13 0.22 -1.72 0.00 0.00 179.24 178.19 2jal h TYR 374 N 0.93 -0.35 -0.90 4.55 5.03 -1.32 -2.45 116.97 122.46 2jal h TYR 374 Ca 0.25 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.53 2jal h TYR 374 Cb -0.08 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.27 2jal h TYR 374 CO 0.00 -0.00 0.50 -0.07 -1.32 0.00 0.00 178.16 177.26 2jal h LEU 375 N -0.75 1.13 -0.35 2.82 3.38 -0.97 -2.56 115.31 118.01 2jal h LEU 375 Ca -0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2jal h LEU 375 Cb 0.50 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jal h LEU 375 CO 0.06 0.90 0.05 0.50 0.09 0.00 0.00 178.44 180.05 2jal h LYS 376 N 1.26 0.58 -0.60 1.13 3.64 -1.00 0.96 116.57 122.55 2jal h LYS 376 Ca 0.32 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2jal h LYS 376 Cb 0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2jal h LYS 376 CO -0.05 0.65 0.38 0.00 -2.27 0.00 0.00 179.45 178.17 2jal h ALA 377 N 0.90 0.77 -0.23 5.00 0.00 -1.26 -1.20 119.26 123.24 2jal h ALA 377 Ca 0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2jal h ALA 377 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jal h ALA 377 CO 0.01 0.15 -0.57 0.45 0.00 0.00 0.00 179.25 179.29 2jal h HIS 378 N 0.77 1.01 -0.48 0.00 3.86 -1.34 -2.91 115.15 116.06 2jal h HIS 378 Ca 0.23 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2jal h HIS 378 Cb -0.04 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 2jal h HIS 378 CO -0.04 1.20 0.27 0.82 0.86 0.00 0.00 177.93 181.04 2jal h ILE 379 N 0.53 1.14 -0.72 2.45 2.04 -0.68 -0.85 117.51 121.42 2jal h ILE 379 Ca -0.01 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2jal h ILE 379 Cb 1.18 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2jal h ILE 379 CO 0.12 0.16 0.18 1.23 0.00 0.00 0.00 178.15 179.84 2jal h GLY 380 N 0.72 1.23 1.15 5.37 0.00 -1.22 -0.56 103.07 109.77 2jal h GLY 380 Ca 0.17 -0.76 -0.20 0.00 0.00 0.00 0.00 47.33 46.55 2jal h GLY 380 CO -0.03 0.71 -0.61 1.46 0.00 0.00 0.00 176.54 178.06 2jal h GLN 381 N 1.08 0.85 -0.61 4.80 1.08 -1.25 -2.04 115.11 119.03 2jal h GLN 381 Ca 0.23 -0.59 0.05 0.00 -1.45 0.00 0.00 58.65 56.89 2jal h GLN 381 Cb 0.36 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 2jal h GLN 381 CO 0.00 1.21 0.33 0.00 -0.95 0.00 0.00 178.83 179.43 2jal h ALA 382 N 0.64 0.80 -0.57 3.87 0.00 -1.05 -2.06 119.26 120.88 2jal h ALA 382 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2jal h ALA 382 Cb 1.23 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2jal h ALA 382 CO 0.13 0.01 0.19 2.35 0.00 0.00 0.00 179.25 181.94 2jal h TRP 383 N 0.63 0.33 -0.05 0.00 7.01 -0.86 -2.05 115.95 120.97 2jal h TRP 383 Ca 0.27 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.33 2jal h TRP 383 Cb 0.14 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 2jal h TRP 383 CO -0.08 0.07 -0.17 -0.22 -2.79 0.00 0.00 178.44 175.25 2jal h LYS 384 N 0.36 -0.25 -0.88 2.65 3.64 -0.86 -1.27 116.57 119.97 2jal h LYS 384 Ca 0.29 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.81 2jal h LYS 384 Cb 0.36 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2jal h LYS 384 CO -0.31 -0.16 0.57 0.00 -2.27 0.00 0.00 179.45 177.27 2jal h ALA 385 N 0.71 1.79 -0.28 5.00 0.00 -1.14 -0.35 119.26 125.00 2jal h ALA 385 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2jal h ALA 385 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jal h ALA 385 CO -0.20 -0.01 -0.30 0.82 0.00 0.00 0.00 179.25 179.57 2jal h ILE 386 N 0.73 1.28 -0.18 0.00 2.04 -0.55 -0.90 117.51 119.93 2jal h ILE 386 Ca 0.43 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 2jal h ILE 386 Cb 0.63 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2jal h ILE 386 CO -0.19 0.44 -0.16 1.56 0.00 0.00 0.00 178.15 179.80 2jal h GLN 387 N 0.49 0.30 -0.73 2.37 1.08 -0.06 -2.11 115.11 116.44 2jal h GLN 387 Ca 0.06 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2jal h GLN 387 Cb 0.76 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2jal h GLN 387 CO 0.06 0.46 0.06 0.39 -0.95 0.00 0.00 178.83 178.84 2jal n GLU 388 N -4.23 3.68 -0.59 1.46 1.02 -0.53 -4.93 120.64 116.52 2jal n GLU 388 Ca -0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 2jal n GLU 388 Cb 0.30 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 2jal n GLU 388 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jal n GLY 389 N 0.33 0.68 3.69 0.62 0.00 -0.79 -5.02 105.19 104.70 2jal n GLY 389 Ca 0.23 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2jal n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jal s VAL 390 N -2.00 4.29 -0.84 1.61 1.01 -0.38 -4.90 120.40 119.19 2jal s VAL 390 Ca 0.00 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 2jal s VAL 390 Cb 0.00 -4.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 2jal s VAL 390 CO 0.00 0.01 2.95 -0.81 0.00 0.00 0.00 175.10 177.26 2jal n PRO 391 N 5.04 2.65 -2.08 2.72 -0.04 -1.26 -4.39 135.00 137.63 2jal n PRO 391 Ca 0.10 -1.54 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 2jal n PRO 391 Cb 0.47 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 2jal n PRO 391 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jal s LEU 392 N 0.09 4.23 0.00 1.53 2.96 -1.26 -1.69 118.68 124.54 2jal s LEU 392 Ca 0.61 2.06 0.15 0.00 -0.22 0.00 0.00 54.13 56.73 2jal s LEU 392 Cb 0.21 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 2jal s LEU 392 CO -0.03 -0.96 0.80 0.29 -1.32 0.00 0.00 176.35 175.14 2jal n LYS 393 N 7.14 1.78 -3.61 1.98 4.76 0.65 -4.94 118.16 125.92 2jal n LYS 393 Ca 0.17 -0.68 -0.02 0.00 -2.87 0.00 0.00 58.31 54.90 2jal n LYS 393 Cb 0.43 -1.24 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 2jal n LYS 393 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2jal s GLY 394 N -1.90 -0.35 -0.16 0.72 0.00 -1.26 -1.56 107.32 102.81 2jal s GLY 394 Ca 0.12 1.06 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 2jal s GLY 394 CO 0.41 0.31 0.36 -0.47 0.00 0.00 0.00 173.10 173.71 2jal s TYR 395 N -2.57 -0.59 -0.19 1.90 6.14 -0.20 -1.51 117.35 120.32 2jal s TYR 395 Ca 0.11 1.22 -0.01 0.00 0.64 0.00 0.00 57.07 59.04 2jal s TYR 395 Cb 0.01 0.18 0.01 0.00 0.42 0.00 0.00 41.96 42.58 2jal s TYR 395 CO -0.04 -0.38 -0.15 -0.06 0.64 0.00 0.00 175.55 175.57 2jal s PHE 396 N 2.03 2.84 0.06 4.97 0.40 0.32 -0.14 117.98 128.45 2jal s PHE 396 Ca -0.04 -1.38 -0.29 0.00 -0.60 0.00 0.00 56.93 54.61 2jal s PHE 396 Cb -0.11 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 2jal s PHE 396 CO -0.11 -0.71 0.94 0.08 0.70 0.00 0.00 175.22 176.12 2jal s VAL 397 N 1.33 4.68 -0.32 -0.44 1.01 -0.51 -2.44 120.40 123.70 2jal s VAL 397 Ca 0.05 2.00 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 2jal s VAL 397 Cb -0.14 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2jal s VAL 397 CO -0.09 0.26 0.21 0.86 0.00 0.00 0.00 175.10 176.34 2jal s TRP 398 N 0.39 3.21 0.25 5.22 -0.11 0.10 -1.16 118.94 126.84 2jal s TRP 398 Ca 0.48 -0.19 0.02 0.00 1.22 0.00 0.00 56.10 57.62 2jal s TRP 398 Cb -0.22 -2.42 -0.05 0.00 -1.50 0.00 0.00 33.47 29.28 2jal s TRP 398 CO 0.28 -0.32 0.06 0.45 -4.62 0.00 0.00 176.95 172.79 2jal s SER 399 N 1.71 1.47 0.13 5.86 0.15 -0.55 -3.95 113.70 118.52 2jal s SER 399 Ca 0.06 -1.32 -0.20 0.00 0.70 0.00 0.00 55.95 55.20 2jal s SER 399 Cb -0.17 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2jal s SER 399 CO 0.10 -0.65 1.71 0.25 1.20 0.00 0.00 173.24 175.85 2jal h LEU 400 N 2.42 -0.14 -8.74 3.45 5.85 -1.69 -1.96 115.31 114.50 2jal h LEU 400 Ca -0.38 0.05 -0.68 0.00 0.84 0.00 0.00 57.88 57.71 2jal h LEU 400 Cb 1.23 0.11 -0.26 0.00 0.37 0.00 0.00 40.66 42.11 2jal h LEU 400 CO 0.63 -0.04 -0.87 -0.76 -0.34 0.00 0.00 178.44 177.05 2jal s LEU 401 N -10.38 2.19 0.37 2.25 1.43 -1.26 -1.30 118.68 111.97 2jal s LEU 401 Ca -0.13 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.10 2jal s LEU 401 Cb 0.10 -1.24 -0.12 0.00 0.03 0.00 0.00 46.19 44.97 2jal s LEU 401 CO 0.69 0.24 1.16 0.47 0.23 0.00 0.00 176.35 179.13 2jal n ASP 402 N 1.66 2.05 -2.27 2.29 8.00 -0.80 -3.75 116.55 123.73 2jal n ASP 402 Ca -0.17 1.13 -0.07 0.00 0.71 0.00 0.00 54.79 56.39 2jal n ASP 402 Cb 0.52 -1.42 0.01 0.00 -0.02 0.00 0.00 41.12 40.22 2jal n ASP 402 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jal n ASN 403 N 0.65 -1.52 -4.59 -2.24 0.23 -1.26 -4.77 115.26 101.75 2jal n ASN 403 Ca 0.07 -2.15 -0.42 0.00 -0.53 0.00 0.00 54.58 51.55 2jal n ASN 403 Cb 0.37 2.56 -0.03 0.00 -2.08 0.00 0.00 39.78 40.61 2jal n ASN 403 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2jal s PHE 404 N -4.11 1.70 -1.30 -2.53 5.36 -0.62 -4.63 117.98 111.84 2jal s PHE 404 Ca 0.13 0.70 -0.05 0.00 -0.96 0.00 0.00 56.93 56.74 2jal s PHE 404 Cb -0.03 -4.08 0.13 0.00 -0.34 0.00 0.00 43.02 38.71 2jal s PHE 404 CO 0.09 -2.88 2.32 -1.91 -1.46 0.00 0.00 175.22 171.38 2jal n GLU 405 N 8.62 4.57 0.00 10.12 4.07 0.28 -4.68 120.64 143.62 2jal n GLU 405 Ca 0.24 -3.53 0.00 0.00 -0.06 0.00 0.00 57.16 53.80 2jal n GLU 405 Cb 0.48 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 2jal n GLU 405 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2jal n TRP 406 N 1.79 0.00 0.39 4.31 7.02 -1.26 -1.25 117.44 128.44 2jal n TRP 406 Ca 0.60 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 57.16 2jal n TRP 406 Cb 0.26 0.00 0.37 0.00 -2.42 0.00 0.00 31.31 29.52 2jal n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jal n ALA 407 N 9.99 1.55 1.12 6.99 0.00 -1.26 -0.99 120.51 137.90 2jal n ALA 407 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2jal n ALA 407 Cb 0.00 -1.28 0.44 0.00 0.00 0.00 0.00 19.45 18.62 2jal n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jal n GLU 408 N -1.84 0.24 0.00 0.00 -0.58 -0.38 -0.86 120.64 117.22 2jal n GLU 408 Ca 0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2jal n GLU 408 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2jal n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jal n GLY 409 N 1.43 1.86 0.00 0.62 0.00 -0.17 -2.92 105.19 106.02 2jal n GLY 409 Ca 0.09 -0.46 0.16 0.00 0.00 0.00 0.00 46.02 45.80 2jal n GLY 409 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jal n TYR 410 N 7.43 0.00 0.50 1.61 4.01 -1.26 -0.55 117.16 128.89 2jal n TYR 410 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2jal n TYR 410 Cb 0.00 -0.04 0.34 0.00 -0.31 0.00 0.00 39.34 39.33 2jal n TYR 410 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2jal n SER 411 N -1.04 0.10 -4.13 7.72 3.41 -1.15 -4.58 113.62 113.96 2jal n SER 411 Ca 0.22 0.52 -0.33 0.00 -0.26 0.00 0.00 58.87 59.03 2jal n SER 411 Cb 0.13 -0.55 -0.16 0.00 -0.26 0.00 0.00 64.21 63.37 2jal n SER 411 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jal s LYS 412 N -3.05 3.00 -0.28 4.33 -0.14 -1.26 -5.05 119.74 117.31 2jal s LYS 412 Ca 0.07 -0.83 -0.07 0.00 -1.36 0.00 0.00 55.97 53.78 2jal s LYS 412 Cb 0.10 -2.57 -0.01 0.00 -1.68 0.00 0.00 37.83 33.67 2jal s LYS 412 CO 0.29 -0.19 0.08 1.03 -0.76 0.00 0.00 175.35 175.80 2jal s ARG 413 N 1.25 3.34 0.00 1.68 0.52 -1.26 -4.59 118.95 119.89 2jal s ARG 413 Ca 0.04 -0.69 0.13 0.00 -0.52 0.00 0.00 55.73 54.69 2jal s ARG 413 Cb -0.13 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.99 2jal s ARG 413 CO -0.12 -0.33 0.76 1.19 0.02 0.00 0.00 175.30 176.82 2jal n PHE 414 N 4.90 0.00 -1.22 -0.53 3.01 -1.26 -3.25 117.46 119.11 2jal n PHE 414 Ca -0.15 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.00 2jal n PHE 414 Cb 0.50 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.07 2jal n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2jal s GLY 415 N -1.52 1.66 0.00 1.37 0.00 -1.25 -1.49 107.32 106.09 2jal s GLY 415 Ca 0.11 0.18 0.24 0.00 0.00 0.00 0.00 44.72 45.24 2jal s GLY 415 CO 0.30 0.57 1.21 0.29 0.00 0.00 0.00 173.10 175.46 2jal n ILE 416 N -3.66 0.00 -4.10 0.90 -5.35 -0.74 -4.76 119.36 101.65 2jal n ILE 416 Ca 0.08 -0.39 -0.28 0.00 -0.27 0.00 0.00 62.75 61.89 2jal n ILE 416 Cb 0.54 1.36 -0.17 0.00 -1.74 0.00 0.00 39.64 39.63 2jal n ILE 416 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2jal s VAL 417 N -2.19 1.36 0.25 7.28 1.01 -0.42 -0.85 120.40 126.83 2jal s VAL 417 Ca 0.24 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2jal s VAL 417 Cb 0.19 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 2jal s VAL 417 CO 0.41 0.42 1.26 -0.47 0.00 0.00 0.00 175.10 176.72 2jal s TYR 418 N 1.42 3.28 -0.19 5.22 6.14 0.47 -1.90 117.35 131.79 2jal s TYR 418 Ca 0.02 1.39 0.00 0.00 0.64 0.00 0.00 57.07 59.12 2jal s TYR 418 Cb -0.13 -3.54 0.01 0.00 0.42 0.00 0.00 41.96 38.72 2jal s TYR 418 CO -0.07 -1.54 -0.17 0.08 0.64 0.00 0.00 175.55 174.49 2jal s VAL 419 N -0.53 2.34 -0.54 3.14 1.01 -1.26 -0.85 120.40 123.70 2jal s VAL 419 Ca 0.52 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2jal s VAL 419 Cb -0.36 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.05 2jal s VAL 419 CO 0.43 0.52 0.97 -0.62 0.00 0.00 0.00 175.10 176.40 2jal s ASP 420 N 1.31 6.38 0.44 3.32 -1.08 -0.05 -4.92 116.67 122.07 2jal s ASP 420 Ca 0.05 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.08 2jal s ASP 420 Cb -0.13 -2.45 0.99 0.00 -1.46 0.00 0.00 42.92 39.86 2jal s ASP 420 CO -0.11 -1.23 1.86 1.88 0.52 0.00 0.00 175.17 178.09 2jal h TYR 421 N 9.31 0.00 -0.15 -5.34 0.05 -1.94 1.21 116.97 120.10 2jal h TYR 421 Ca -0.26 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.47 2jal h TYR 421 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2jal h TYR 421 CO 0.92 0.24 -0.13 0.66 -1.05 0.00 0.00 178.16 178.80 2jal h SER 422 N 0.00 0.23 0.00 3.88 4.64 -1.97 -3.31 113.55 117.02 2jal h SER 422 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2jal h SER 422 Cb 0.68 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2jal h SER 422 CO 0.03 0.39 -0.75 0.35 -0.87 0.00 0.00 176.83 175.98 2jal n THR 423 N -4.27 0.00 -1.17 2.95 -2.24 -0.97 -5.01 114.28 103.58 2jal n THR 423 Ca -0.01 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 2jal n THR 423 Cb 0.27 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 2jal n THR 423 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jal n GLN 424 N -1.38 -0.83 -1.94 -0.78 1.13 0.41 -5.00 117.38 108.98 2jal n GLN 424 Ca -0.00 0.59 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 2jal n GLN 424 Cb 0.03 -4.43 -0.01 0.00 0.11 0.00 0.00 30.24 25.93 2jal n GLN 424 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2jal s LYS 425 N -2.03 4.22 -0.13 -1.09 2.20 -1.15 -4.78 119.74 116.98 2jal s LYS 425 Ca 0.00 2.41 -0.05 0.00 -0.36 0.00 0.00 55.97 57.97 2jal s LYS 425 Cb 0.00 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2jal s LYS 425 CO 0.00 -0.40 0.04 1.03 -0.36 0.00 0.00 175.35 175.66 2jal s ARG 426 N -1.64 3.50 -0.20 4.03 3.00 -1.26 -0.87 118.95 125.52 2jal s ARG 426 Ca 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 55.73 55.90 2jal s ARG 426 Cb -0.44 -3.02 0.05 0.00 0.00 0.00 0.00 34.95 31.55 2jal s ARG 426 CO 0.56 0.50 -0.01 0.42 0.00 0.00 0.00 175.30 176.77 2jal s ILE 427 N -0.30 0.97 0.14 1.52 1.01 -0.03 -4.98 121.20 119.52 2jal s ILE 427 Ca 0.08 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.65 2jal s ILE 427 Cb -0.12 -1.32 -0.11 0.00 0.01 0.00 0.00 42.46 40.92 2jal s ILE 427 CO 0.02 -0.09 1.81 0.52 0.00 0.00 0.00 174.94 177.20 2jal n VAL 428 N 4.89 0.29 -1.98 2.92 0.31 -1.26 -0.40 118.33 123.10 2jal n VAL 428 Ca -0.10 -0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 63.88 2jal n VAL 428 Cb 0.46 -2.09 0.04 0.00 -0.91 0.00 0.00 33.84 31.35 2jal n VAL 428 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jal s LYS 429 N 2.41 2.99 0.39 5.55 1.02 -0.03 -4.54 119.74 127.53 2jal s LYS 429 Ca 0.81 0.42 0.12 0.00 0.02 0.00 0.00 55.97 57.34 2jal s LYS 429 Cb -0.49 -2.08 0.94 0.00 -0.52 0.00 0.00 37.83 35.68 2jal s LYS 429 CO 0.36 -0.90 1.90 -0.44 -0.92 0.00 0.00 175.35 175.36 2jal h ASP 430 N -0.51 0.51 -0.54 2.83 5.19 -1.50 -1.15 116.42 121.25 2jal h ASP 430 Ca -0.45 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 55.95 2jal h ASP 430 Cb 1.24 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.65 2jal h ASP 430 CO 0.63 0.27 0.20 0.77 -3.12 0.00 0.00 179.24 177.99 2jal h SER 431 N 0.55 0.79 -0.43 6.45 4.64 -1.81 0.73 113.55 124.46 2jal h SER 431 Ca 0.39 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2jal h SER 431 Cb 0.75 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2jal h SER 431 CO -0.15 0.73 0.20 1.23 -0.87 0.00 0.00 176.83 177.97 2jal h GLY 432 N 0.97 0.68 0.97 -0.77 0.00 -1.29 -0.17 103.07 103.46 2jal h GLY 432 Ca 0.20 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2jal h GLY 432 CO -0.01 0.33 0.02 -0.97 0.00 0.00 0.00 176.54 175.90 2jal h TYR 433 N 0.56 0.82 -0.63 5.60 0.05 -1.02 -1.99 116.97 120.37 2jal h TYR 433 Ca 0.15 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.80 2jal h TYR 433 Cb 0.14 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 2jal h TYR 433 CO -0.01 0.80 0.41 2.35 -1.05 0.00 0.00 178.16 180.67 2jal h TRP 434 N 0.60 0.78 -0.26 4.88 7.01 -0.79 -2.80 115.95 125.37 2jal h TRP 434 Ca 0.13 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.97 2jal h TRP 434 Cb 0.47 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2jal h TRP 434 CO 0.04 0.49 -0.52 -0.92 -2.79 0.00 0.00 178.44 174.73 2jal h TYR 435 N 0.84 0.94 -0.38 2.65 3.20 -0.90 -2.36 116.97 120.96 2jal h TYR 435 Ca 0.23 -0.32 0.11 0.00 3.14 0.00 0.00 58.73 61.89 2jal h TYR 435 Cb -0.08 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2jal h TYR 435 CO -0.03 1.11 0.27 1.03 -1.64 0.00 0.00 178.16 178.90 2jal h SER 436 N 0.59 0.02 0.08 -2.11 0.87 -1.21 -0.08 113.55 111.70 2jal h SER 436 Ca 0.02 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.35 2jal h SER 436 Cb 1.10 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2jal h SER 436 CO 0.11 0.01 -0.93 -1.13 -0.53 0.00 0.00 176.83 174.36 2jal h ASN 437 N 0.02 0.68 -0.50 6.23 -0.00 -1.17 -2.28 115.58 118.56 2jal h ASN 437 Ca 0.18 -0.83 0.09 0.00 -0.00 0.00 0.00 56.30 55.74 2jal h ASN 437 Cb 0.70 -0.21 -0.07 0.00 -0.00 0.00 0.00 38.32 38.74 2jal h ASN 437 CO -0.01 1.43 0.08 0.58 -0.00 0.00 0.00 177.43 179.52 2jal h VAL 438 N 0.02 0.70 0.54 2.57 2.07 -0.90 -0.94 116.25 120.31 2jal h VAL 438 Ca -0.14 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2jal h VAL 438 Cb 1.65 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2jal h VAL 438 CO 0.18 0.04 -0.26 0.58 0.02 0.00 0.00 177.57 178.13 2jal h VAL 439 N 0.21 0.42 -0.81 2.57 2.07 -1.05 0.00 116.25 119.66 2jal h VAL 439 Ca 0.25 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.72 2jal h VAL 439 Cb 0.35 0.51 -0.14 0.00 -1.52 0.00 0.00 31.29 30.48 2jal h VAL 439 CO -0.34 0.04 0.01 0.50 0.02 0.00 0.00 177.57 177.79 2jal h LYS 440 N -0.89 0.09 -0.00 1.57 3.64 -1.34 0.90 116.57 120.54 2jal h LYS 440 Ca -0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jal h LYS 440 Cb 0.62 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2jal h LYS 440 CO 0.12 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.45 2jal n ASN 441 N -5.38 0.27 -3.55 4.20 3.02 -0.36 -4.92 115.26 108.54 2jal n ASN 441 Ca 0.16 -1.10 -0.26 0.00 -0.03 0.00 0.00 54.58 53.35 2jal n ASN 441 Cb 0.53 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 2jal n ASN 441 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jal n ASN 442 N -0.79 -4.42 0.00 6.41 5.15 0.31 -4.86 115.26 117.07 2jal n ASN 442 Ca 0.23 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2jal n ASN 442 Cb 0.15 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 2jal n ASN 442 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jal n GLY 443 N -1.41 -0.43 4.00 8.20 0.00 -0.16 -0.62 105.19 114.77 2jal n GLY 443 Ca -0.00 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 2jal n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jal s LEU 444 N 0.00 3.20 0.00 0.99 1.43 -0.60 -4.44 118.68 119.26 2jal s LEU 444 Ca 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2jal s LEU 444 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2jal s LEU 444 CO 0.00 -1.35 0.00 -1.84 0.23 0.00 0.00 176.35 173.39