#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgt h VAL 5 N 0.00 1.01 -3.18 0.52 2.07 -1.99 -3.46 116.25 111.22 1jgt h VAL 5 Ca 0.00 -2.46 -0.64 0.00 0.82 0.00 0.00 66.70 64.42 1jgt h VAL 5 Cb 0.00 2.48 -0.16 0.00 -1.52 0.00 0.00 31.29 32.09 1jgt h VAL 5 CO 0.00 0.58 -0.76 -0.76 0.02 0.00 0.00 177.57 176.65 1jgt s LEU 6 N -6.45 2.82 0.75 2.57 1.43 -1.26 -4.79 118.68 113.75 1jgt s LEU 6 Ca 0.03 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1jgt s LEU 6 Cb 0.08 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.77 1jgt s LEU 6 CO 0.77 0.12 0.86 -2.65 0.23 0.00 0.00 176.35 175.68 1jgt n PRO 7 N 0.24 0.36 0.26 1.29 -0.02 -1.26 -4.87 135.00 130.99 1jgt n PRO 7 Ca -0.12 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1jgt n PRO 7 Cb 0.55 -2.14 0.68 0.00 -0.02 0.00 0.00 33.50 32.58 1jgt n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgt h ALA 8 N -0.47 1.46 -2.82 3.55 0.00 -1.87 -3.43 119.26 115.68 1jgt h ALA 8 Ca -0.46 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 1jgt h ALA 8 Cb 1.33 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.86 1jgt h ALA 8 CO 0.45 0.15 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 1jgt s ALA 9 N -4.41 -0.87 -0.08 0.00 0.00 -1.26 -4.20 121.76 110.95 1jgt s ALA 9 Ca -0.04 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1jgt s ALA 9 Cb 0.14 -0.48 -0.25 0.00 0.00 0.00 0.00 23.12 22.54 1jgt s ALA 9 CO 0.62 -0.18 0.54 1.19 0.00 0.00 0.00 175.76 177.92 1jgt n PHE 10 N 2.63 1.13 -3.41 0.00 3.72 -0.07 -1.01 117.46 120.45 1jgt n PHE 10 Ca -0.14 0.32 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 1jgt n PHE 10 Cb 0.57 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 1jgt n PHE 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jgt n GLY 11 N 1.75 1.35 3.71 1.37 0.00 -1.08 -4.53 105.19 107.76 1jgt n GLY 11 Ca -0.23 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 1jgt n GLY 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jgt s PHE 12 N -5.97 -0.10 -0.14 1.61 -0.12 -1.26 -1.57 117.98 110.43 1jgt s PHE 12 Ca 0.04 -0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.75 1jgt s PHE 12 Cb -0.01 0.61 0.05 0.00 -0.63 0.00 0.00 43.02 43.04 1jgt s PHE 12 CO 0.01 -0.65 0.04 -1.17 -0.05 0.00 0.00 175.22 173.41 1jgt s LEU 13 N -2.95 0.70 0.28 -1.99 1.98 -0.68 -1.69 118.68 114.33 1jgt s LEU 13 Ca 0.13 -0.47 0.07 0.00 -2.89 0.00 0.00 54.13 50.97 1jgt s LEU 13 Cb 0.01 -0.42 -0.06 0.00 0.66 0.00 0.00 46.19 46.38 1jgt s LEU 13 CO 0.00 -0.28 -0.07 0.00 -1.89 0.00 0.00 176.35 174.12 1jgt s ALA 14 N 1.99 2.36 0.11 5.97 0.00 0.11 -1.08 121.76 131.21 1jgt s ALA 14 Ca 0.02 -1.90 -0.21 0.00 0.00 0.00 0.00 51.96 49.88 1jgt s ALA 14 Cb -0.15 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.18 1jgt s ALA 14 CO -0.07 -0.05 0.51 -1.54 0.00 0.00 0.00 175.76 174.61 1jgt s SER 15 N -3.44 -0.42 -0.17 0.00 1.04 -0.33 -0.98 113.70 109.40 1jgt s SER 15 Ca 0.29 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 1jgt s SER 15 Cb 0.03 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.75 1jgt s SER 15 CO 0.12 -0.84 0.34 0.00 0.98 0.00 0.00 173.24 173.84 1jgt s ALA 16 N -3.26 -0.86 0.00 5.32 0.00 -0.33 -1.72 121.76 120.90 1jgt s ALA 16 Ca -0.01 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1jgt s ALA 16 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1jgt s ALA 16 CO -0.08 -0.77 0.00 2.89 0.00 0.00 0.00 175.76 177.80 1jgt n ARG 17 N 5.37 0.00 0.00 0.00 1.85 -1.26 -0.95 116.66 121.67 1jgt n ARG 17 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1jgt n ARG 17 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1jgt n ARG 17 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1jgt n THR 18 N 0.00 0.00 0.00 8.89 -2.24 -1.26 -4.80 114.28 114.87 1jgt n THR 18 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jgt n THR 18 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1jgt n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgt n GLY 19 N 1.21 0.00 0.00 3.38 0.00 -1.26 -4.30 105.19 104.22 1jgt n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jgt n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgt n GLY 20 N 0.00 0.65 0.00 -0.02 0.00 -1.26 -5.05 105.19 99.51 1jgt n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jgt n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgt n GLY 25 N 5.00 4.37 3.88 -0.02 0.00 -1.26 -5.11 105.19 112.05 1jgt n GLY 25 Ca 0.00 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 1jgt n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgt s PRO 26 N -1.78 3.61 -0.18 1.61 0.04 -1.26 -5.07 135.00 131.97 1jgt s PRO 26 Ca 0.00 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1jgt s PRO 26 Cb 0.00 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1jgt s PRO 26 CO 0.00 -0.45 -0.13 0.08 0.04 0.00 0.00 177.00 176.54 1jgt s VAL 27 N -3.02 1.69 0.33 -0.36 1.01 -1.26 -5.13 120.40 113.66 1jgt s VAL 27 Ca 0.53 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1jgt s VAL 27 Cb -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1jgt s VAL 27 CO 0.50 0.32 0.23 -0.36 0.00 0.00 0.00 175.10 175.79 1jgt s PHE 28 N 1.41 2.86 -0.03 5.22 0.08 -1.26 -4.51 117.98 121.74 1jgt s PHE 28 Ca 0.02 -0.31 0.12 0.00 0.12 0.00 0.00 56.93 56.88 1jgt s PHE 28 Cb -0.15 -1.69 -0.15 0.00 -0.57 0.00 0.00 43.02 40.46 1jgt s PHE 28 CO -0.10 0.28 1.05 0.00 -0.10 0.00 0.00 175.22 176.35 1jgt h ALA 29 N 1.38 0.59 -2.72 5.36 0.00 -1.97 -3.45 119.26 118.45 1jgt h ALA 29 Ca -0.45 -0.96 -0.53 0.00 0.00 0.00 0.00 54.91 52.98 1jgt h ALA 29 Cb 1.25 0.12 0.06 0.00 0.00 0.00 0.00 17.79 19.23 1jgt h ALA 29 CO 0.60 1.15 0.85 0.99 0.00 0.00 0.00 179.25 182.85 1jgt s THR 30 N -2.77 2.39 -0.07 0.00 2.01 -1.26 -4.28 115.64 111.66 1jgt s THR 30 Ca -0.01 0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 1jgt s THR 30 Cb 0.09 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1jgt s THR 30 CO 0.81 0.04 0.41 -0.60 -0.69 0.00 0.00 174.62 174.59 1jgt s ARG 31 N 0.08 4.12 0.00 4.92 3.52 -0.35 -4.92 118.95 126.33 1jgt s ARG 31 Ca 0.65 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 1jgt s ARG 31 Cb -0.45 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1jgt s ARG 31 CO 0.41 0.42 0.00 0.41 -0.81 0.00 0.00 175.30 175.73 1jgt n GLY 32 N 2.60 -1.51 3.83 8.12 0.00 -1.26 -4.55 105.19 112.42 1jgt n GLY 32 Ca -0.11 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1jgt n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgt s SER 33 N -1.20 5.63 -0.02 1.61 0.01 0.37 -4.72 113.70 115.38 1jgt s SER 33 Ca 0.00 1.57 0.08 0.00 1.31 0.00 0.00 55.95 58.90 1jgt s SER 33 Cb 0.00 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1jgt s SER 33 CO 0.00 -1.28 -0.25 -1.00 0.41 0.00 0.00 173.24 171.13 1jgt s HIS 34 N -3.07 2.22 -0.08 2.43 3.76 -1.26 -0.50 115.29 118.79 1jgt s HIS 34 Ca 0.57 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.02 1jgt s HIS 34 Cb -0.13 -1.43 0.05 0.00 1.11 0.00 0.00 32.58 32.17 1jgt s HIS 34 CO 0.54 -0.05 0.17 0.99 -0.85 0.00 0.00 174.74 175.55 1jgt s THR 35 N -0.56 -0.19 -0.11 1.30 2.01 -0.65 -4.97 115.64 112.47 1jgt s THR 35 Ca 0.09 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 1jgt s THR 35 Cb -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1jgt s THR 35 CO -0.01 0.12 0.60 -1.81 -0.69 0.00 0.00 174.62 172.82 1jgt s ASP 36 N 1.87 6.81 0.69 3.53 -0.00 -1.26 -0.92 116.67 127.38 1jgt s ASP 36 Ca -0.02 0.97 -0.12 0.00 -0.00 0.00 0.00 52.55 53.38 1jgt s ASP 36 Cb -0.12 -2.35 0.01 0.00 -0.00 0.00 0.00 42.92 40.46 1jgt s ASP 36 CO -0.06 -0.10 1.07 0.27 -0.00 0.00 0.00 175.17 176.35 1jgt s ILE 37 N 0.94 3.82 0.68 0.77 -4.36 -0.63 -5.00 121.20 117.43 1jgt s ILE 37 Ca 0.31 0.65 -0.16 0.00 -0.26 0.00 0.00 60.65 61.19 1jgt s ILE 37 Cb -0.16 -3.29 0.01 0.00 1.25 0.00 0.00 42.46 40.27 1jgt s ILE 37 CO 0.13 -0.71 1.19 -1.81 0.24 0.00 0.00 174.94 173.99 1jgt s ASP 38 N -3.46 4.62 -0.62 4.36 -0.00 -1.26 -4.70 116.67 115.60 1jgt s ASP 38 Ca 0.60 2.31 0.05 0.00 -0.00 0.00 0.00 52.55 55.52 1jgt s ASP 38 Cb -0.15 -2.59 0.20 0.00 -0.00 0.00 0.00 42.92 40.38 1jgt s ASP 38 CO 0.51 -1.98 0.56 0.35 -0.00 0.00 0.00 175.17 174.61 1jgt n THR 39 N -2.35 1.29 0.03 -1.27 -2.24 -1.26 -4.93 114.28 103.55 1jgt n THR 39 Ca 0.13 -4.72 -0.10 0.00 -2.27 0.00 0.00 64.05 57.09 1jgt n THR 39 Cb 0.50 -2.07 -0.04 0.00 -2.10 0.00 0.00 70.33 66.63 1jgt n THR 39 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1jgt h PRO 40 N 4.89 -0.23 -0.00 -0.78 0.11 -1.94 -1.37 132.00 132.69 1jgt h PRO 40 Ca 0.17 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1jgt h PRO 40 Cb 0.75 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1jgt h PRO 40 CO 0.69 -0.15 0.00 1.04 -0.21 0.00 0.00 178.00 179.37 1jgt n GLN 41 N -5.30 0.71 0.00 1.05 3.00 -1.26 -4.96 117.38 110.62 1jgt n GLN 41 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1jgt n GLN 41 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 30.24 29.45 1jgt n GLN 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jgt n GLY 42 N 0.21 3.04 0.28 1.08 0.00 -0.52 -2.52 105.19 106.76 1jgt n GLY 42 Ca 0.00 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.00 1jgt n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jgt h GLU 43 N 0.00 0.00 -0.78 1.61 5.08 -1.87 -3.02 114.58 115.60 1jgt h GLU 43 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1jgt h GLU 43 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1jgt h GLU 43 CO 0.00 0.00 0.31 2.89 -1.00 0.00 0.00 179.01 181.21 1jgt n ARG 44 N -3.09 3.66 -2.75 2.33 1.85 -1.05 -4.11 116.66 113.51 1jgt n ARG 44 Ca 0.01 -3.09 -0.12 0.00 -1.00 0.00 0.00 57.85 53.65 1jgt n ARG 44 Cb 0.30 -2.23 -0.01 0.00 -1.05 0.00 0.00 32.46 29.47 1jgt n ARG 44 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1jgt n SER 45 N -0.21 2.08 -4.54 2.89 3.41 -1.14 -4.91 113.62 111.20 1jgt n SER 45 Ca 0.43 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.76 1jgt n SER 45 Cb 1.43 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.34 1jgt n SER 45 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jgt s LEU 46 N 0.00 4.47 0.16 1.04 2.96 -1.26 -4.65 118.68 121.40 1jgt s LEU 46 Ca 0.08 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 1jgt s LEU 46 Cb -0.01 -2.44 -0.07 0.00 0.50 0.00 0.00 46.19 44.18 1jgt s LEU 46 CO 0.05 -0.43 0.52 0.00 -1.32 0.00 0.00 176.35 175.17 1jgt s ALA 47 N 2.18 3.60 -0.16 5.97 0.00 -0.70 -4.85 121.76 127.80 1jgt s ALA 47 Ca 0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 1jgt s ALA 47 Cb -0.16 -2.45 0.11 0.00 0.00 0.00 0.00 23.12 20.61 1jgt s ALA 47 CO 0.13 0.49 0.90 0.00 0.00 0.00 0.00 175.76 177.28 1jgt s ALA 48 N -1.58 -1.89 -0.18 0.00 0.00 -1.26 -1.18 121.76 115.67 1jgt s ALA 48 Ca 0.40 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.95 1jgt s ALA 48 Cb -0.14 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1jgt s ALA 48 CO 0.20 -0.32 -0.15 0.99 0.00 0.00 0.00 175.76 176.48 1jgt s THR 49 N -0.82 2.55 -0.12 0.00 2.01 -0.24 -1.60 115.64 117.41 1jgt s THR 49 Ca -0.03 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1jgt s THR 49 Cb -0.01 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1jgt s THR 49 CO 0.03 0.50 0.13 -0.76 -0.69 0.00 0.00 174.62 173.83 1jgt s LEU 50 N 1.23 4.33 -0.16 4.42 1.43 -0.09 -1.68 118.68 128.16 1jgt s LEU 50 Ca 0.03 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1jgt s LEU 50 Cb -0.14 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1jgt s LEU 50 CO -0.07 0.40 -0.05 0.54 0.23 0.00 0.00 176.35 177.40 1jgt s VAL 51 N -0.96 3.71 0.30 -1.59 0.11 -0.61 -1.64 120.40 119.72 1jgt s VAL 51 Ca 0.15 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 58.69 1jgt s VAL 51 Cb -0.12 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1jgt s VAL 51 CO 0.04 0.49 0.50 -1.38 -3.33 0.00 0.00 175.10 171.41 1jgt s HIS 52 N 0.51 0.64 0.28 1.54 -0.00 0.34 -0.89 115.29 117.70 1jgt s HIS 52 Ca -0.04 -0.98 -0.29 0.00 -0.00 0.00 0.00 55.06 53.75 1jgt s HIS 52 Cb -0.15 0.13 -0.10 0.00 -0.00 0.00 0.00 32.58 32.47 1jgt s HIS 52 CO 0.03 -1.11 1.21 0.00 -0.00 0.00 0.00 174.74 174.87 1jgt s ALA 53 N -3.44 3.46 0.57 -1.38 0.00 -1.26 0.14 121.76 119.84 1jgt s ALA 53 Ca 0.25 1.06 0.27 0.00 0.00 0.00 0.00 51.96 53.54 1jgt s ALA 53 Cb -0.01 -3.41 1.52 0.00 0.00 0.00 0.00 23.12 21.22 1jgt s ALA 53 CO 0.14 -0.40 2.03 -1.35 0.00 0.00 0.00 175.76 176.18 1jgt h PRO 54 N 4.03 0.00 -0.00 0.00 0.11 -1.92 -1.35 132.00 132.85 1jgt h PRO 54 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jgt h PRO 54 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jgt h PRO 54 CO 0.69 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.34 1jgt n SER 55 N -4.00 0.49 -4.34 -2.05 3.41 -1.26 -4.86 113.62 101.01 1jgt n SER 55 Ca 0.05 -1.15 -0.25 0.00 -0.26 0.00 0.00 58.87 57.26 1jgt n SER 55 Cb 0.47 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 1jgt n SER 55 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1jgt s VAL 56 N -2.01 1.94 -0.13 -3.33 -7.23 -0.51 -5.04 120.40 104.09 1jgt s VAL 56 Ca 0.44 -1.78 -0.20 0.00 -1.81 0.00 0.00 61.98 58.64 1jgt s VAL 56 Cb 0.22 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 1jgt s VAL 56 CO 0.36 -0.12 0.58 0.00 -0.31 0.00 0.00 175.10 175.60 1jgt s ALA 57 N -1.50 3.46 -1.50 1.32 0.00 -1.26 -4.78 121.76 117.50 1jgt s ALA 57 Ca 0.13 -0.14 0.17 0.00 0.00 0.00 0.00 51.96 52.12 1jgt s ALA 57 Cb -0.08 -2.82 0.89 0.00 0.00 0.00 0.00 23.12 21.10 1jgt s ALA 57 CO 0.06 -0.20 1.50 -0.35 0.00 0.00 0.00 175.76 176.77 1jgt n PRO 58 N 4.14 0.28 -0.25 0.00 -0.04 -1.26 -4.12 135.00 133.75 1jgt n PRO 58 Ca -0.04 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1jgt n PRO 58 Cb 0.51 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1jgt n PRO 58 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jgt h ASP 59 N 0.00 -1.09 0.18 3.54 3.32 -1.92 0.82 116.42 121.27 1jgt h ASP 59 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1jgt h ASP 59 Cb 0.14 0.58 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1jgt h ASP 59 CO 0.00 -0.29 0.00 0.54 -1.72 0.00 0.00 179.24 177.77 1jgt n ARG 60 N -5.46 0.08 0.00 3.56 1.74 -1.26 -1.50 116.66 113.83 1jgt n ARG 60 Ca 0.07 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.53 1jgt n ARG 60 Cb 0.37 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.63 1jgt n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jgt n ALA 61 N -1.34 2.97 -2.94 7.54 0.00 0.28 -3.35 120.51 123.67 1jgt n ALA 61 Ca 0.03 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1jgt n ALA 61 Cb 0.07 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1jgt n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jgt s VAL 62 N -2.32 0.93 0.02 0.00 1.01 -0.56 -1.06 120.40 118.42 1jgt s VAL 62 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1jgt s VAL 62 Cb 0.20 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1jgt s VAL 62 CO 0.46 0.28 -0.03 0.00 0.00 0.00 0.00 175.10 175.81 1jgt s ALA 63 N 0.08 0.19 0.10 5.51 0.00 -0.58 -4.75 121.76 122.31 1jgt s ALA 63 Ca -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1jgt s ALA 63 Cb -0.08 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1jgt s ALA 63 CO 0.01 -0.08 -0.05 1.03 0.00 0.00 0.00 175.76 176.67 1jgt s ARG 64 N -1.03 0.83 0.11 0.00 0.52 -1.26 -0.14 118.95 117.98 1jgt s ARG 64 Ca -0.10 -1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 53.52 1jgt s ARG 64 Cb -0.07 -0.14 0.08 0.00 0.52 0.00 0.00 34.95 35.34 1jgt s ARG 64 CO -0.00 -0.05 1.10 -1.54 0.02 0.00 0.00 175.30 174.83 1jgt s SER 65 N -3.04 -0.05 0.00 0.23 1.04 -0.32 -4.99 113.70 106.58 1jgt s SER 65 Ca 0.13 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1jgt s SER 65 Cb 0.06 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1jgt s SER 65 CO -0.04 -0.74 0.80 0.18 0.98 0.00 0.00 173.24 174.42 1jgt n LEU 66 N -0.64 1.68 -4.62 2.42 4.77 -1.26 -0.05 117.00 119.30 1jgt n LEU 66 Ca -0.04 -1.47 -0.43 0.00 -0.03 0.00 0.00 56.01 54.05 1jgt n LEU 66 Cb 0.60 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1jgt n LEU 66 CO 0.17 0.41 1.71 -0.89 -1.33 0.00 0.00 177.39 177.45 1jgt s THR 67 N -0.58 3.13 0.00 -5.08 2.01 -1.26 -2.57 115.64 111.29 1jgt s THR 67 Ca 0.04 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1jgt s THR 67 Cb 0.02 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1jgt s THR 67 CO 0.03 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1jgt n GLY 68 N 5.31 1.90 3.58 4.40 0.00 -1.26 -4.84 105.19 114.28 1jgt n GLY 68 Ca 0.25 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.98 1jgt n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgt s ALA 69 N -0.25 -2.38 0.01 4.61 0.00 -1.06 -5.00 121.76 117.68 1jgt s ALA 69 Ca 0.00 0.84 -0.32 0.00 0.00 0.00 0.00 51.96 52.48 1jgt s ALA 69 Cb 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 23.12 23.30 1jgt s ALA 69 CO 0.00 -1.05 1.89 -2.30 0.00 0.00 0.00 175.76 174.29 1jgt n PRO 70 N -0.49 2.53 -4.83 0.00 -0.02 -1.26 -4.21 135.00 126.71 1jgt n PRO 70 Ca -0.09 0.92 -0.25 0.00 -2.02 0.00 0.00 63.50 62.06 1jgt n PRO 70 Cb 0.63 -2.81 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1jgt n PRO 70 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jgt s THR 71 N 3.74 1.37 -0.04 3.45 2.01 0.92 -1.97 115.64 125.12 1jgt s THR 71 Ca 0.89 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1jgt s THR 71 Cb -0.57 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1jgt s THR 71 CO 0.45 0.39 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.84 1jgt s THR 72 N -0.33 0.47 -0.04 -0.82 2.01 -0.13 -1.17 115.64 115.64 1jgt s THR 72 Ca 0.05 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.03 1jgt s THR 72 Cb -0.07 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1jgt s THR 72 CO -0.00 0.21 -0.23 0.00 -0.69 0.00 0.00 174.62 173.91 1jgt s ALA 73 N 0.95 1.98 -0.08 7.40 0.00 0.80 -1.03 121.76 131.77 1jgt s ALA 73 Ca -0.11 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1jgt s ALA 73 Cb -0.14 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1jgt s ALA 73 CO -0.00 0.43 -0.17 0.08 0.00 0.00 0.00 175.76 176.10 1jgt s VAL 74 N -0.31 1.50 -0.05 0.00 1.01 -0.43 -1.53 120.40 120.58 1jgt s VAL 74 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1jgt s VAL 74 Cb -0.11 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1jgt s VAL 74 CO 0.01 0.44 -0.07 -0.22 0.00 0.00 0.00 175.10 175.26 1jgt s LEU 75 N 0.62 1.45 -0.16 3.92 0.20 -0.22 -1.39 118.68 123.10 1jgt s LEU 75 Ca -0.15 -0.19 -0.06 0.00 0.69 0.00 0.00 54.13 54.42 1jgt s LEU 75 Cb -0.16 -0.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.96 1jgt s LEU 75 CO 0.04 -0.02 0.05 0.00 -0.29 0.00 0.00 176.35 176.13 1jgt s ALA 76 N 0.82 3.38 0.00 5.97 0.00 0.20 -4.49 121.76 127.64 1jgt s ALA 76 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1jgt s ALA 76 Cb -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1jgt s ALA 76 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1jgt n GLY 77 N 3.17 -0.18 3.45 0.00 0.00 -0.18 -1.67 105.19 109.78 1jgt n GLY 77 Ca -0.17 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 1jgt n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jgt s GLU 78 N 0.00 1.30 -0.07 1.61 -1.05 -0.00 -4.42 118.70 116.06 1jgt s GLU 78 Ca 0.00 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 1jgt s GLU 78 Cb 0.00 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.13 1jgt s GLU 78 CO 0.00 -0.52 -0.15 0.42 0.95 0.00 0.00 175.26 175.96 1jgt s ILE 79 N -3.92 2.97 -0.21 1.83 1.01 -1.26 -0.77 121.20 120.86 1jgt s ILE 79 Ca 0.13 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1jgt s ILE 79 Cb 0.01 -2.18 -0.21 0.00 0.01 0.00 0.00 42.46 40.09 1jgt s ILE 79 CO -0.01 0.57 0.01 -1.22 0.00 0.00 0.00 174.94 174.29 1jgt n TYR 80 N 2.71 0.34 -1.56 3.97 4.01 -0.16 -4.47 117.16 122.00 1jgt n TYR 80 Ca -0.17 0.08 -0.29 0.00 -0.16 0.00 0.00 57.90 57.36 1jgt n TYR 80 Cb 0.52 -1.05 -0.05 0.00 -0.31 0.00 0.00 39.34 38.45 1jgt n TYR 80 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1jgt n ASN 81 N -3.20 6.82 -0.15 7.72 2.04 -1.11 -4.68 115.26 122.69 1jgt n ASN 81 Ca -0.39 -3.10 -0.08 0.00 -0.44 0.00 0.00 54.58 50.58 1jgt n ASN 81 Cb 1.04 -1.29 0.01 0.00 -2.53 0.00 0.00 39.78 37.00 1jgt n ASN 81 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 1jgt h ARG 82 N 3.47 0.63 -0.97 -3.83 3.08 -1.90 -2.28 114.38 112.57 1jgt h ARG 82 Ca 0.47 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1jgt h ARG 82 Cb 0.68 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1jgt h ARG 82 CO 0.99 0.48 0.62 -0.44 -1.07 0.00 0.00 179.97 180.54 1jgt h ASP 83 N 0.61 1.14 -0.21 7.04 3.32 -1.97 0.50 116.42 126.85 1jgt h ASP 83 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1jgt h ASP 83 Cb 0.02 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1jgt h ASP 83 CO -0.03 0.85 0.08 -0.33 -1.72 0.00 0.00 179.24 178.09 1jgt h GLU 84 N 1.33 0.32 -0.54 3.56 3.07 -1.90 -1.83 114.58 118.58 1jgt h GLU 84 Ca 0.35 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.10 1jgt h GLU 84 Cb -0.11 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1jgt h GLU 84 CO -0.07 0.40 0.13 -0.07 -1.40 0.00 0.00 179.01 177.99 1jgt h LEU 85 N 0.18 0.78 -1.29 1.33 3.38 -0.97 -2.06 115.31 116.67 1jgt h LEU 85 Ca 0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1jgt h LEU 85 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jgt h LEU 85 CO -0.00 0.77 -0.35 -0.07 0.09 0.00 0.00 178.44 178.87 1jgt h LEU 86 N 0.80 0.00 -1.74 1.67 3.38 -0.74 -2.96 115.31 115.72 1jgt h LEU 86 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jgt h LEU 86 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jgt h LEU 86 CO -0.00 0.35 -0.01 0.77 0.09 0.00 0.00 178.44 179.64 1jgt h SER 87 N 0.00 0.00 -0.46 -0.43 4.64 -0.58 -2.86 113.55 113.86 1jgt h SER 87 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jgt h SER 87 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1jgt h SER 87 CO 0.05 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 1jgt n VAL 88 N -3.11 0.62 -3.73 0.95 0.24 -1.12 -4.95 118.33 107.24 1jgt n VAL 88 Ca -0.00 -0.81 -0.29 0.00 -2.04 0.00 0.00 64.34 61.20 1jgt n VAL 88 Cb 0.26 0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 33.47 1jgt n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jgt s LEU 89 N -1.35 4.26 0.00 1.34 1.43 -1.08 -5.11 118.68 118.17 1jgt s LEU 89 Ca 0.40 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1jgt s LEU 89 Cb 0.23 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1jgt s LEU 89 CO 0.31 0.02 0.12 -2.65 0.23 0.00 0.00 176.35 174.38 1jgt n PRO 90 N -0.32 -0.46 0.00 1.29 -0.02 -1.26 -4.94 135.00 129.29 1jgt n PRO 90 Ca -0.04 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1jgt n PRO 90 Cb 0.53 -0.13 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 1jgt n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgt n ALA 91 N -3.11 0.00 -0.50 3.55 0.00 -1.26 -4.72 120.51 114.47 1jgt n ALA 91 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jgt n ALA 91 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1jgt n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 92 N 0.00 1.00 3.56 0.00 0.00 -1.26 -5.03 105.19 103.46 1jgt n GLY 92 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1jgt n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgt s PRO 93 N 0.00 2.13 0.27 1.61 0.04 -1.26 -4.90 135.00 132.88 1jgt s PRO 93 Ca 0.00 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 1jgt s PRO 93 Cb 0.00 -4.90 -0.13 0.00 0.04 0.00 0.00 34.50 29.51 1jgt s PRO 93 CO 0.00 -3.81 1.36 0.00 0.04 0.00 0.00 177.00 174.59 1jgt n ALA 94 N 16.02 1.12 -1.74 8.56 0.00 -1.26 -4.93 120.51 138.27 1jgt n ALA 94 Ca 0.42 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.88 1jgt n ALA 94 Cb 0.46 -2.26 0.06 0.00 0.00 0.00 0.00 19.45 17.71 1jgt n ALA 94 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1jgt s PRO 95 N -0.83 2.77 0.04 0.00 0.02 -1.26 -4.94 135.00 130.79 1jgt s PRO 95 Ca 0.64 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 63.58 1jgt s PRO 95 Cb -0.63 -1.99 -0.14 0.00 0.02 0.00 0.00 34.50 31.76 1jgt s PRO 95 CO 0.53 -1.45 1.39 0.93 -0.33 0.00 0.00 177.00 178.07 1jgt h GLU 96 N 0.87 0.33 0.00 5.54 5.08 -1.93 -3.48 114.58 121.00 1jgt h GLU 96 Ca -0.51 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1jgt h GLU 96 Cb 1.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1jgt h GLU 96 CO 0.55 0.66 0.00 0.41 -1.00 0.00 0.00 179.01 179.63 1jgt n GLY 97 N 0.05 4.12 0.18 -3.84 0.00 -1.26 -4.99 105.19 99.44 1jgt n GLY 97 Ca -0.06 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1jgt n GLY 97 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jgt h ASP 98 N 0.00 0.30 -0.69 1.61 3.45 -1.93 -1.77 116.42 117.39 1jgt h ASP 98 Ca 0.00 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 1jgt h ASP 98 Cb 0.00 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 1jgt h ASP 98 CO 0.00 0.82 0.33 0.00 -1.57 0.00 0.00 179.24 178.81 1jgt h ALA 99 N 1.19 0.89 -0.16 3.45 0.00 -1.85 -0.36 119.26 122.42 1jgt h ALA 99 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1jgt h ALA 99 Cb 1.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jgt h ALA 99 CO 0.09 0.47 -0.59 1.49 0.00 0.00 0.00 179.25 180.71 1jgt h GLU 100 N 0.97 0.52 -0.66 0.00 4.81 -1.78 -2.26 114.58 116.17 1jgt h GLU 100 Ca 0.24 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1jgt h GLU 100 Cb 0.13 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1jgt h GLU 100 CO -0.03 0.96 0.42 1.25 -0.73 0.00 0.00 179.01 180.88 1jgt h LEU 101 N 0.39 0.78 -0.54 1.64 5.85 -0.89 -0.11 115.31 122.43 1jgt h LEU 101 Ca -0.00 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1jgt h LEU 101 Cb 1.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1jgt h LEU 101 CO 0.11 0.58 0.33 0.58 -0.34 0.00 0.00 178.44 179.70 1jgt h VAL 102 N 0.90 1.16 -0.90 1.05 2.07 -0.92 -1.16 116.25 118.46 1jgt h VAL 102 Ca 0.24 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1jgt h VAL 102 Cb -0.07 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1jgt h VAL 102 CO -0.05 0.16 0.57 0.25 0.02 0.00 0.00 177.57 178.52 1jgt h LEU 103 N 0.72 1.06 -0.89 2.57 5.85 -0.79 0.89 115.31 124.71 1jgt h LEU 103 Ca 0.19 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1jgt h LEU 103 Cb -0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1jgt h LEU 103 CO -0.04 0.79 -0.02 0.03 -0.34 0.00 0.00 178.44 178.87 1jgt h ARG 104 N 1.23 0.80 -0.31 1.25 2.47 -0.57 -2.41 114.38 116.83 1jgt h ARG 104 Ca 0.33 -0.22 -0.16 0.00 -1.26 0.00 0.00 59.98 58.66 1jgt h ARG 104 Cb -0.09 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 1jgt h ARG 104 CO -0.07 0.82 -0.44 -0.07 0.56 0.00 0.00 179.97 180.77 1jgt h LEU 105 N 0.74 0.87 -1.32 3.04 3.38 -0.45 -2.99 115.31 118.59 1jgt h LEU 105 Ca 0.14 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1jgt h LEU 105 Cb 0.48 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jgt h LEU 105 CO 0.02 1.18 0.18 -0.07 0.09 0.00 0.00 178.44 179.84 1jgt h LEU 106 N 0.65 0.59 -1.54 1.67 3.38 -0.65 0.57 115.31 119.97 1jgt h LEU 106 Ca 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1jgt h LEU 106 Cb 1.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1jgt h LEU 106 CO 0.10 0.53 -0.24 -0.33 0.09 0.00 0.00 178.44 178.59 1jgt h GLU 107 N 0.65 0.00 0.01 1.13 5.08 -1.29 0.29 114.58 120.44 1jgt h GLU 107 Ca 0.16 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.16 1jgt h GLU 107 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1jgt h GLU 107 CO -0.02 0.24 -2.21 -2.13 -1.00 0.00 0.00 179.01 173.89 1jgt n ARG 108 N -3.96 0.67 0.00 2.33 0.63 -0.66 -4.64 116.66 111.03 1jgt n ARG 108 Ca -0.02 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1jgt n ARG 108 Cb 0.32 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1jgt n ARG 108 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jgt n TYR 109 N -2.94 0.00 -3.92 -0.14 4.01 0.10 -5.07 117.16 109.20 1jgt n TYR 109 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 1jgt n TYR 109 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 1jgt n TYR 109 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jgt n ASP 110 N -0.04 0.00 0.28 7.72 2.03 0.10 -2.02 116.55 124.61 1jgt n ASP 110 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 1jgt n ASP 110 Cb 0.04 0.00 0.86 0.00 -0.72 0.00 0.00 41.12 41.30 1jgt n ASP 110 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1jgt h LEU 111 N 0.00 0.00 -0.15 -2.67 8.10 -1.93 0.06 115.31 118.71 1jgt h LEU 111 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jgt h LEU 111 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1jgt h LEU 111 CO 0.00 0.00 0.00 1.41 -4.11 0.00 0.00 178.44 175.74 1jgt n HIS 112 N -2.71 0.18 -0.27 0.17 8.25 -0.86 -2.64 115.22 117.34 1jgt n HIS 112 Ca -0.02 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1jgt n HIS 112 Cb 0.18 -0.61 0.38 0.00 1.12 0.00 0.00 29.99 31.05 1jgt n HIS 112 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jgt h ALA 113 N 2.46 1.84 0.00 -1.41 0.00 -1.08 -0.50 119.26 120.57 1jgt h ALA 113 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jgt h ALA 113 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jgt h ALA 113 CO 0.00 -0.10 0.00 0.74 0.00 0.00 0.00 179.25 179.89 1jgt h PHE 114 N 0.68 0.00 0.00 0.00 -1.00 -1.74 -1.71 116.94 113.17 1jgt h PHE 114 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 1jgt h PHE 114 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.32 1jgt h PHE 114 CO -0.00 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.24 1jgt n ARG 115 N -2.91 0.19 0.01 1.51 1.74 -0.20 -3.04 116.66 113.97 1jgt n ARG 115 Ca 0.00 0.33 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 1jgt n ARG 115 Cb 0.23 -1.81 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 1jgt n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jgt n LEU 116 N -2.16 0.40 -4.70 0.55 4.77 -0.65 -4.98 117.00 110.23 1jgt n LEU 116 Ca 0.03 -0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 1jgt n LEU 116 Cb 0.29 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1jgt n LEU 116 CO 0.23 0.05 0.46 -0.69 -1.33 0.00 0.00 177.39 176.11 1jgt s VAL 117 N -3.33 5.00 -0.42 4.08 1.01 -1.17 -4.97 120.40 120.60 1jgt s VAL 117 Ca -0.02 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 63.44 1jgt s VAL 117 Cb 0.14 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.56 1jgt s VAL 117 CO 0.87 0.20 0.24 0.21 0.00 0.00 0.00 175.10 176.62 1jgt s ASN 118 N 0.90 5.37 0.00 3.32 3.04 -1.26 -4.63 114.94 121.68 1jgt s ASN 118 Ca 0.39 -1.99 0.00 0.00 0.04 0.00 0.00 52.86 51.30 1jgt s ASN 118 Cb -0.18 -1.88 0.00 0.00 -1.54 0.00 0.00 41.25 37.66 1jgt s ASN 118 CO 0.18 -0.58 0.00 0.61 -3.04 0.00 0.00 177.10 174.27 1jgt n GLY 119 N 4.68 3.16 2.48 1.21 0.00 -1.26 -0.98 105.19 114.47 1jgt n GLY 119 Ca -0.04 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1jgt n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jgt s ARG 120 N -0.57 0.88 0.25 1.61 3.52 0.05 -4.74 118.95 119.95 1jgt s ARG 120 Ca 0.00 -1.85 -0.12 0.00 -0.13 0.00 0.00 55.73 53.63 1jgt s ARG 120 Cb 0.00 -1.57 -0.00 0.00 -1.56 0.00 0.00 34.95 31.82 1jgt s ARG 120 CO 0.00 -1.29 0.47 -0.59 -0.81 0.00 0.00 175.30 173.08 1jgt s PHE 121 N 0.42 0.42 -0.10 5.12 -0.71 -1.26 -0.82 117.98 121.05 1jgt s PHE 121 Ca 0.25 -0.78 -0.07 0.00 -1.04 0.00 0.00 56.93 55.29 1jgt s PHE 121 Cb -0.10 0.16 0.04 0.00 -1.21 0.00 0.00 43.02 41.90 1jgt s PHE 121 CO -0.09 -1.00 0.26 0.00 -1.34 0.00 0.00 175.22 173.05 1jgt s ALA 122 N -3.95 -0.62 0.01 1.99 0.00 -0.67 -2.68 121.76 115.84 1jgt s ALA 122 Ca 0.23 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 53.01 1jgt s ALA 122 Cb -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1jgt s ALA 122 CO 0.10 -0.16 0.16 -0.08 0.00 0.00 0.00 175.76 175.78 1jgt s THR 123 N 0.72 0.09 -0.05 0.00 -1.32 -0.35 -0.63 115.64 114.11 1jgt s THR 123 Ca -0.05 -0.75 0.03 0.00 -1.21 0.00 0.00 61.69 59.70 1jgt s THR 123 Cb -0.06 -0.60 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1jgt s THR 123 CO -0.04 -0.41 -0.11 0.54 -2.21 0.00 0.00 174.62 172.38 1jgt s VAL 124 N -1.74 1.03 -0.03 5.08 0.11 -0.49 -1.39 120.40 122.96 1jgt s VAL 124 Ca -0.12 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 1jgt s VAL 124 Cb -0.05 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1jgt s VAL 124 CO 0.00 0.32 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.27 1jgt s VAL 125 N 0.47 1.10 -0.14 2.04 1.01 0.17 -1.32 120.40 123.73 1jgt s VAL 125 Ca -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1jgt s VAL 125 Cb -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1jgt s VAL 125 CO 0.02 0.33 -0.19 -0.60 0.00 0.00 0.00 175.10 174.66 1jgt s ARG 126 N 0.12 3.13 -0.24 2.72 3.52 -0.20 -0.18 118.95 127.82 1jgt s ARG 126 Ca -0.03 -0.80 -0.02 0.00 -0.13 0.00 0.00 55.73 54.75 1jgt s ARG 126 Cb -0.10 -2.51 0.07 0.00 -1.56 0.00 0.00 34.95 30.85 1jgt s ARG 126 CO 0.01 0.04 0.04 -0.08 -0.81 0.00 0.00 175.30 174.50 1jgt s THR 127 N 0.73 0.80 0.00 4.11 -1.32 0.04 -0.95 115.64 119.04 1jgt s THR 127 Ca -0.08 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1jgt s THR 127 Cb -0.16 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 1jgt s THR 127 CO 0.01 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 1jgt n GLY 128 N 4.93 2.57 1.40 6.08 0.00 -0.83 -1.60 105.19 117.73 1jgt n GLY 128 Ca -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 1jgt n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jgt n ASP 129 N 6.52 3.57 -4.44 1.61 8.00 -1.26 -4.92 116.55 125.62 1jgt n ASP 129 Ca 0.00 -3.41 -0.33 0.00 0.71 0.00 0.00 54.79 51.76 1jgt n ASP 129 Cb 0.00 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.31 1jgt n ASP 129 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1jgt s ARG 130 N -3.08 3.35 -0.10 -1.24 3.52 -0.63 -1.02 118.95 119.76 1jgt s ARG 130 Ca 0.48 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.50 1jgt s ARG 130 Cb 0.40 -2.70 -0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1jgt s ARG 130 CO 0.07 0.30 -0.24 0.08 -0.81 0.00 0.00 175.30 174.71 1jgt s VAL 131 N 0.14 2.10 -0.11 7.11 1.01 0.03 -0.78 120.40 129.91 1jgt s VAL 131 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1jgt s VAL 131 Cb -0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1jgt s VAL 131 CO 0.04 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 174.83 1jgt s LEU 132 N 0.27 2.90 -0.15 3.92 1.43 0.75 -0.57 118.68 127.23 1jgt s LEU 132 Ca -0.17 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1jgt s LEU 132 Cb -0.17 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1jgt s LEU 132 CO 0.08 0.24 -0.18 -0.76 0.23 0.00 0.00 176.35 175.96 1jgt s LEU 133 N -0.09 1.94 0.01 1.79 1.43 -0.43 -0.66 118.68 122.66 1jgt s LEU 133 Ca -0.01 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1jgt s LEU 133 Cb -0.14 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1jgt s LEU 133 CO 0.03 0.00 -0.04 0.00 0.23 0.00 0.00 176.35 176.58 1jgt s ALA 134 N 1.21 0.30 0.35 4.21 0.00 -0.49 -0.02 121.76 127.33 1jgt s ALA 134 Ca 0.01 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1jgt s ALA 134 Cb -0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1jgt s ALA 134 CO -0.08 0.03 0.09 0.95 0.00 0.00 0.00 175.76 176.75 1jgt s THR 135 N -0.40 2.72 0.94 0.00 -4.23 -0.89 -1.21 115.64 112.58 1jgt s THR 135 Ca -0.02 -1.82 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 1jgt s THR 135 Cb -0.03 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 71.07 1jgt s THR 135 CO -0.00 -0.16 1.22 1.51 -0.54 0.00 0.00 174.62 176.65 1jgt s ASP 136 N -3.79 3.28 0.44 3.99 1.47 -1.09 -4.21 116.67 116.75 1jgt s ASP 136 Ca 0.37 0.58 0.22 0.00 1.18 0.00 0.00 52.55 54.90 1jgt s ASP 136 Cb -0.00 -0.87 1.21 0.00 -0.34 0.00 0.00 42.92 42.92 1jgt s ASP 136 CO 0.21 -2.66 1.80 1.12 0.68 0.00 0.00 175.17 176.32 1jgt h HIS 137 N -1.58 0.47 -0.18 2.11 2.07 -1.85 0.14 115.15 116.33 1jgt h HIS 137 Ca -0.46 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1jgt h HIS 137 Cb 1.29 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1jgt h HIS 137 CO -0.62 0.06 0.00 0.00 -3.07 0.00 0.00 177.93 174.30 1jgt n ALA 138 N -2.55 2.41 -3.17 6.11 0.00 -1.26 -2.49 120.51 119.56 1jgt n ALA 138 Ca 0.24 -0.82 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 1jgt n ALA 138 Cb 0.91 -0.61 0.04 0.00 0.00 0.00 0.00 19.45 19.79 1jgt n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 139 N 0.99 -0.52 0.29 0.00 0.00 -0.42 -4.79 105.19 100.74 1jgt n GLY 139 Ca 0.12 0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.45 1jgt n GLY 139 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jgt h SER 140 N -1.55 0.00 -3.56 1.61 4.64 -1.87 -3.32 113.55 109.50 1jgt h SER 140 Ca -0.53 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.11 1jgt h SER 140 Cb 1.36 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.09 1jgt h SER 140 CO 0.57 0.05 -0.61 -0.69 -0.87 0.00 0.00 176.83 175.29 1jgt s VAL 141 N -4.20 2.96 0.42 0.95 1.01 -1.26 -3.61 120.40 116.67 1jgt s VAL 141 Ca -0.03 -2.12 -0.24 0.00 0.00 0.00 0.00 61.98 59.59 1jgt s VAL 141 Cb 0.13 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 1jgt s VAL 141 CO 0.53 -0.64 0.84 -2.65 0.00 0.00 0.00 175.10 173.18 1jgt n PRO 142 N 4.49 1.03 -3.75 2.72 -0.02 -1.25 -4.57 135.00 133.65 1jgt n PRO 142 Ca -0.01 0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 1jgt n PRO 142 Cb 0.42 -1.83 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 1jgt n PRO 142 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jgt s LEU 143 N 0.29 0.83 0.24 2.45 2.96 -1.26 -4.43 118.68 119.76 1jgt s LEU 143 Ca 0.64 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.77 1jgt s LEU 143 Cb -0.58 0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.11 1jgt s LEU 143 CO 0.57 -0.15 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.95 1jgt s TYR 144 N 1.28 2.07 0.06 5.38 2.02 0.18 -0.43 117.35 127.90 1jgt s TYR 144 Ca -0.07 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 56.01 1jgt s TYR 144 Cb -0.12 -0.93 0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1jgt s TYR 144 CO -0.04 0.56 0.46 -0.08 -1.57 0.00 0.00 175.55 174.89 1jgt s THR 145 N -2.59 0.04 -0.12 -0.71 -1.32 0.65 -0.87 115.64 110.71 1jgt s THR 145 Ca 0.26 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.38 1jgt s THR 145 Cb -0.04 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1jgt s THR 145 CO 0.11 -0.20 -0.13 0.00 -2.21 0.00 0.00 174.62 172.19 1jgt s VAL 147 N 1.30 1.53 0.06 0.00 1.01 -1.26 -1.36 120.40 121.67 1jgt s VAL 147 Ca -0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1jgt s VAL 147 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1jgt s VAL 147 CO -0.06 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.51 1jgt s ALA 148 N 0.78 0.32 0.03 5.51 0.00 -0.22 -0.64 121.76 127.55 1jgt s ALA 148 Ca -0.11 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.49 1jgt s ALA 148 Cb -0.16 0.32 -0.10 0.00 0.00 0.00 0.00 23.12 23.18 1jgt s ALA 148 CO 0.02 -0.40 1.92 -2.30 0.00 0.00 0.00 175.76 175.00 1jgt n PRO 149 N 0.11 2.68 -0.78 0.00 -0.02 -1.26 -0.99 135.00 134.73 1jgt n PRO 149 Ca -0.14 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1jgt n PRO 149 Cb 0.61 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1jgt n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jgt n GLY 150 N 4.42 0.88 2.96 -1.23 0.00 0.21 -4.91 105.19 107.53 1jgt n GLY 150 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1jgt n GLY 150 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jgt s GLU 151 N -0.22 0.20 -0.17 1.61 -6.30 -0.16 -4.09 118.70 109.58 1jgt s GLU 151 Ca 0.00 0.63 0.01 0.00 -2.50 0.00 0.00 54.97 53.11 1jgt s GLU 151 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 34.13 33.84 1jgt s GLU 151 CO 0.00 -0.41 -0.16 0.08 0.02 0.00 0.00 175.26 174.79 1jgt s VAL 152 N 2.44 1.77 -0.07 3.70 1.01 -0.13 -1.05 120.40 128.07 1jgt s VAL 152 Ca 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1jgt s VAL 152 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1jgt s VAL 152 CO -0.11 0.44 -0.14 -0.13 0.00 0.00 0.00 175.10 175.17 1jgt s ARG 153 N 1.40 2.77 0.01 2.72 0.52 -0.46 -1.19 118.95 124.71 1jgt s ARG 153 Ca 0.04 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 1jgt s ARG 153 Cb -0.13 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 1jgt s ARG 153 CO -0.11 0.50 -0.08 0.00 0.02 0.00 0.00 175.30 175.63 1jgt s ALA 154 N -0.41 0.65 -0.00 2.13 0.00 -0.16 -1.09 121.76 122.89 1jgt s ALA 154 Ca 0.05 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1jgt s ALA 154 Cb -0.12 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1jgt s ALA 154 CO 0.02 0.12 0.39 0.45 0.00 0.00 0.00 175.76 176.74 1jgt s SER 155 N -0.59 -0.28 0.00 0.00 0.15 -0.05 0.09 113.70 113.02 1jgt s SER 155 Ca -0.00 0.14 0.30 0.00 0.70 0.00 0.00 55.95 57.09 1jgt s SER 155 Cb -0.05 0.37 1.44 0.00 -1.71 0.00 0.00 66.02 66.08 1jgt s SER 155 CO 0.00 -0.53 1.97 0.35 1.20 0.00 0.00 173.24 176.23 1jgt n THR 156 N 1.00 0.00 -3.69 6.45 -2.24 -0.68 0.49 114.28 115.61 1jgt n THR 156 Ca -0.20 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 1jgt n THR 156 Cb 0.57 0.00 -0.18 0.00 -2.10 0.00 0.00 70.33 68.63 1jgt n THR 156 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jgt s GLU 157 N -2.05 0.06 0.39 -0.78 2.02 -1.26 -4.62 118.70 112.45 1jgt s GLU 157 Ca 0.41 0.32 0.09 0.00 0.02 0.00 0.00 54.97 55.81 1jgt s GLU 157 Cb 0.21 -0.61 0.85 0.00 0.10 0.00 0.00 34.13 34.68 1jgt s GLU 157 CO 0.37 -0.33 1.96 0.00 0.02 0.00 0.00 175.26 177.28 1jgt h ALA 158 N 8.42 1.82 -0.60 5.21 0.00 -1.96 -2.25 119.26 129.89 1jgt h ALA 158 Ca -0.14 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1jgt h ALA 158 Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1jgt h ALA 158 CO 0.17 0.06 0.42 1.57 0.00 0.00 0.00 179.25 181.46 1jgt h LYS 159 N 0.63 0.21 0.00 0.00 2.10 -1.94 0.12 116.57 117.69 1jgt h LYS 159 Ca 0.30 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1jgt h LYS 159 Cb 0.38 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1jgt h LYS 159 CO -0.10 0.14 0.00 0.00 -2.00 0.00 0.00 179.45 177.49 1jgt h ALA 160 N 1.71 1.00 0.00 0.07 0.00 -1.63 -2.90 119.26 117.50 1jgt h ALA 160 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1jgt h ALA 160 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1jgt h ALA 160 CO -0.05 0.00 -1.79 1.28 0.00 0.00 0.00 179.25 178.69 1jgt n LEU 161 N -3.03 0.38 0.05 0.00 4.32 0.19 -4.12 117.00 114.79 1jgt n LEU 161 Ca 0.03 0.16 -0.09 0.00 -0.02 0.00 0.00 56.01 56.09 1jgt n LEU 161 Cb 0.43 0.14 0.05 0.00 -1.62 0.00 0.00 43.42 42.42 1jgt n LEU 161 CO 0.31 0.15 0.40 0.00 -1.22 0.00 0.00 177.39 177.02 1jgt h ALA 162 N 1.56 0.66 0.00 -1.18 0.00 -0.84 -2.68 119.26 116.79 1jgt h ALA 162 Ca -0.19 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1jgt h ALA 162 Cb 1.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1jgt h ALA 162 CO 0.02 0.74 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1jgt n ALA 163 N -2.50 1.90 -1.39 0.00 0.00 -1.10 -5.02 120.51 112.39 1jgt n ALA 163 Ca -0.04 -0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.58 1jgt n ALA 163 Cb 0.67 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 1jgt n ALA 163 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jgt n HIS 164 N -0.51 -3.67 0.00 0.00 -0.00 -1.01 -5.11 115.22 104.91 1jgt n HIS 164 Ca 0.00 1.97 0.00 0.00 -0.00 0.00 0.00 57.72 59.69 1jgt n HIS 164 Cb 0.00 -3.34 0.00 0.00 -0.00 0.00 0.00 29.99 26.65 1jgt n HIS 164 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1jgt n PRO 167 N -4.26 0.00 -4.16 -0.41 -0.04 -1.26 -4.80 135.00 120.08 1jgt n PRO 167 Ca -0.06 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.25 1jgt n PRO 167 Cb 0.65 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.00 1jgt n PRO 167 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1jgt s LYS 168 N 0.00 0.79 0.00 0.54 0.00 -1.26 -5.10 119.74 114.71 1jgt s LYS 168 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 55.97 54.94 1jgt s LYS 168 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 37.83 37.23 1jgt s LYS 168 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 175.35 175.87 1jgt n GLY 169 N 0.94 -1.00 3.21 0.59 0.00 -1.26 -4.72 105.19 102.96 1jgt n GLY 169 Ca -0.19 0.73 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 1jgt n GLY 169 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jgt n PHE 170 N 0.00 -2.83 -2.66 1.61 3.01 0.19 -4.51 117.46 112.27 1jgt n PHE 170 Ca 0.00 0.16 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 1jgt n PHE 170 Cb 0.00 -1.59 -0.03 0.00 -0.01 0.00 0.00 39.48 37.85 1jgt n PHE 170 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1jgt s PRO 171 N -2.86 4.56 -0.47 -1.08 0.04 -1.26 -4.65 135.00 129.29 1jgt s PRO 171 Ca 0.49 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 1jgt s PRO 171 Cb -0.16 -3.42 0.07 0.00 0.04 0.00 0.00 34.50 31.04 1jgt s PRO 171 CO 0.73 -0.03 0.38 -0.51 0.04 0.00 0.00 177.00 177.61 1jgt s LEU 172 N 0.79 5.58 0.09 -3.56 1.43 -1.26 -5.00 118.68 116.75 1jgt s LEU 172 Ca 0.52 -1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 1jgt s LEU 172 Cb -0.23 -2.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 1jgt s LEU 172 CO 0.29 -0.64 1.34 0.00 0.23 0.00 0.00 176.35 177.57 1jgt h ALA 173 N 8.71 -0.50 0.00 4.21 0.00 -1.95 -2.57 119.26 127.17 1jgt h ALA 173 Ca -0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jgt h ALA 173 Cb 1.11 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1jgt h ALA 173 CO 0.87 -0.70 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 1jgt n ASP 174 N -4.37 0.68 -4.31 0.00 8.00 -1.26 -4.79 116.55 110.51 1jgt n ASP 174 Ca -0.01 -1.60 -0.16 0.00 0.71 0.00 0.00 54.79 53.73 1jgt n ASP 174 Cb 0.19 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 1jgt n ASP 174 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jgt s ALA 175 N -1.15 1.74 -0.13 2.24 0.00 -0.97 -4.71 121.76 118.78 1jgt s ALA 175 Ca 0.00 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 50.25 1jgt s ALA 175 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1jgt s ALA 175 CO 0.00 -0.10 0.14 1.03 0.00 0.00 0.00 175.76 176.82 1jgt s ARG 176 N -3.76 3.50 0.23 0.00 0.52 -1.20 -4.87 118.95 113.37 1jgt s ARG 176 Ca 0.22 -0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 1jgt s ARG 176 Cb 0.03 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.21 1jgt s ARG 176 CO 0.05 0.74 1.20 1.03 0.02 0.00 0.00 175.30 178.33 1jgt s ARG 177 N -0.90 4.50 0.23 3.54 0.52 -1.26 -0.60 118.95 124.98 1jgt s ARG 177 Ca 0.14 1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 1jgt s ARG 177 Cb -0.12 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1jgt s ARG 177 CO 0.03 -0.04 1.10 0.08 0.02 0.00 0.00 175.30 176.49 1jgt s VAL 178 N -0.43 3.64 -0.01 3.52 1.01 -0.54 -4.87 120.40 122.71 1jgt s VAL 178 Ca 0.51 1.54 -0.36 0.00 0.00 0.00 0.00 61.98 63.66 1jgt s VAL 178 Cb -0.34 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 1jgt s VAL 178 CO 0.40 0.32 1.58 0.00 0.00 0.00 0.00 175.10 177.40 1jgt n ALA 179 N 1.73 0.05 0.00 5.51 0.00 -1.26 -2.70 120.51 123.84 1jgt n ALA 179 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1jgt n ALA 179 Cb 0.45 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1jgt n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 180 N 3.44 1.16 3.56 0.00 0.00 -1.26 -4.95 105.19 107.15 1jgt n GLY 180 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1jgt n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgt n LEU 181 N 0.00 1.58 -4.05 0.99 4.77 -1.10 -5.02 117.00 114.16 1jgt n LEU 181 Ca 0.00 0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 56.04 1jgt n LEU 181 Cb 0.00 -1.36 -0.16 0.00 -2.33 0.00 0.00 43.42 39.57 1jgt n LEU 181 CO 0.00 -2.73 -0.47 0.42 -1.33 0.00 0.00 177.39 173.28 1jgt s THR 182 N -2.53 1.13 0.00 -5.08 -4.23 -1.26 -4.71 115.64 98.96 1jgt s THR 182 Ca 0.64 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1jgt s THR 182 Cb -0.22 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1jgt s THR 182 CO 0.62 0.34 0.00 0.61 -0.54 0.00 0.00 174.62 175.65 1jgt n GLY 183 N 3.46 1.31 3.64 3.99 0.00 -1.26 -4.89 105.19 111.43 1jgt n GLY 183 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1jgt n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgt s VAL 184 N -3.39 4.97 0.16 1.61 1.01 -1.26 -4.42 120.40 119.07 1jgt s VAL 184 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1jgt s VAL 184 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1jgt s VAL 184 CO 0.00 0.42 -0.22 -0.31 0.00 0.00 0.00 175.10 174.99 1jgt s TYR 185 N 0.66 2.04 -0.19 5.22 1.51 -0.09 -1.46 117.35 125.05 1jgt s TYR 185 Ca 0.05 -0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1jgt s TYR 185 Cb -0.13 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1jgt s TYR 185 CO 0.01 0.36 0.08 -1.14 -1.11 0.00 0.00 175.55 173.76 1jgt s GLN 186 N -2.48 4.02 0.09 -0.62 0.74 0.23 -0.26 119.66 121.39 1jgt s GLN 186 Ca 0.15 -0.31 -0.31 0.00 0.05 0.00 0.00 55.36 54.94 1jgt s GLN 186 Cb -0.08 -3.26 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 1jgt s GLN 186 CO 0.07 0.29 1.36 0.08 -0.55 0.00 0.00 175.29 176.54 1jgt s VAL 187 N 0.34 3.47 0.78 1.34 1.01 0.43 -3.25 120.40 124.53 1jgt s VAL 187 Ca 0.04 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1jgt s VAL 187 Cb -0.12 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1jgt s VAL 187 CO -0.00 0.07 1.11 -2.65 0.00 0.00 0.00 175.10 173.63 1jgt n PRO 188 N 4.12 0.29 -1.97 2.72 -0.02 -1.26 -4.68 135.00 134.20 1jgt n PRO 188 Ca 0.11 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1jgt n PRO 188 Cb 0.43 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1jgt n PRO 188 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgt s ALA 189 N -2.02 2.54 -1.33 3.55 0.00 -1.26 -3.64 121.76 119.61 1jgt s ALA 189 Ca 0.73 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 1jgt s ALA 189 Cb -0.31 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 1jgt s ALA 189 CO 0.51 -1.11 0.57 0.41 0.00 0.00 0.00 175.76 176.13 1jgt n GLY 190 N -0.01 -0.39 3.30 0.00 0.00 0.37 -4.83 105.19 103.63 1jgt n GLY 190 Ca 0.12 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 1jgt n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgt s ALA 191 N -3.79 -0.06 -0.05 4.61 0.00 -1.24 0.42 121.76 121.65 1jgt s ALA 191 Ca 0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1jgt s ALA 191 Cb -0.03 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1jgt s ALA 191 CO 0.86 -0.61 0.03 0.54 0.00 0.00 0.00 175.76 176.58 1jgt s VAL 192 N -3.94 0.13 -0.26 0.00 0.11 -0.12 -2.09 120.40 114.24 1jgt s VAL 192 Ca 0.14 0.24 -0.13 0.00 -2.93 0.00 0.00 61.98 59.30 1jgt s VAL 192 Cb 0.04 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 1jgt s VAL 192 CO -0.03 0.20 0.26 -0.04 -3.33 0.00 0.00 175.10 172.16 1jgt s MET 193 N 1.84 4.01 -0.42 1.54 -1.94 0.98 -1.08 119.30 124.23 1jgt s MET 193 Ca 0.02 -0.16 -0.15 0.00 -1.71 0.00 0.00 55.69 53.69 1jgt s MET 193 Cb -0.12 -3.63 0.03 0.00 2.01 0.00 0.00 34.83 33.12 1jgt s MET 193 CO -0.04 -0.16 0.31 0.34 -0.01 0.00 0.00 175.02 175.47 1jgt s ASP 194 N 1.54 6.10 -0.10 3.03 3.68 0.71 -1.32 116.67 130.31 1jgt s ASP 194 Ca 0.11 -0.98 0.01 0.00 2.13 0.00 0.00 52.55 53.82 1jgt s ASP 194 Cb -0.15 -2.16 -0.02 0.00 -1.45 0.00 0.00 42.92 39.14 1jgt s ASP 194 CO 0.09 -0.48 -0.13 -0.63 0.13 0.00 0.00 175.17 174.15 1jgt s ILE 195 N 1.67 3.07 -0.39 4.11 1.01 0.27 -1.24 121.20 129.69 1jgt s ILE 195 Ca 0.05 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 1jgt s ILE 195 Cb -0.20 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1jgt s ILE 195 CO 0.09 0.55 0.57 -0.62 0.00 0.00 0.00 174.94 175.53 1jgt s ASP 196 N -0.09 6.32 0.20 3.58 2.15 -0.70 -0.79 116.67 127.35 1jgt s ASP 196 Ca -0.02 -0.20 -0.11 0.00 0.43 0.00 0.00 52.55 52.65 1jgt s ASP 196 Cb -0.14 -2.29 0.22 0.00 -0.30 0.00 0.00 42.92 40.41 1jgt s ASP 196 CO 0.04 -0.62 1.77 0.25 -0.17 0.00 0.00 175.17 176.44 1jgt h LEU 197 N 9.35 0.33 0.18 -1.34 6.46 -1.40 0.10 115.31 129.00 1jgt h LEU 197 Ca -0.27 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1jgt h LEU 197 Cb 1.11 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1jgt h LEU 197 CO 0.83 0.22 -0.15 1.23 -0.62 0.00 0.00 178.44 179.95 1jgt h GLY 198 N 0.49 -0.34 1.55 3.75 0.00 -1.93 0.60 103.07 107.19 1jgt h GLY 198 Ca 0.27 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 1jgt h GLY 198 CO -0.23 -0.15 -0.51 1.48 0.00 0.00 0.00 176.54 177.14 1jgt h SER 199 N -0.34 0.00 -0.18 0.19 4.64 -1.91 -3.14 113.55 112.80 1jgt h SER 199 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1jgt h SER 199 Cb 0.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1jgt h SER 199 CO -0.01 0.06 -0.07 0.61 -0.87 0.00 0.00 176.83 176.55 1jgt n GLY 200 N 1.16 0.67 3.83 -0.77 0.00 0.35 -4.30 105.19 106.12 1jgt n GLY 200 Ca 0.02 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1jgt n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgt s THR 201 N -2.03 4.92 0.07 2.61 -4.23 -1.22 -4.70 115.64 111.06 1jgt s THR 201 Ca 0.00 0.94 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 1jgt s THR 201 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1jgt s THR 201 CO 0.00 0.53 -0.18 0.00 -0.54 0.00 0.00 174.62 174.43 1jgt s ALA 202 N -1.14 1.49 -0.09 3.99 0.00 -1.26 -1.71 121.76 123.04 1jgt s ALA 202 Ca 0.27 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1jgt s ALA 202 Cb -0.17 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1jgt s ALA 202 CO 0.16 0.28 -0.11 0.08 0.00 0.00 0.00 175.76 176.18 1jgt s VAL 203 N -1.05 1.12 -0.16 0.00 1.01 -0.37 -4.97 120.40 115.97 1jgt s VAL 203 Ca 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1jgt s VAL 203 Cb -0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1jgt s VAL 203 CO 0.03 0.36 0.01 -0.89 0.00 0.00 0.00 175.10 174.61 1jgt s THR 204 N 1.07 4.33 -0.12 3.92 2.01 -1.26 -0.21 115.64 125.38 1jgt s THR 204 Ca -0.07 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1jgt s THR 204 Cb -0.15 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1jgt s THR 204 CO -0.01 0.49 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.23 1jgt s HIS 205 N 0.26 2.71 0.07 4.92 3.76 -0.24 -4.97 115.29 121.80 1jgt s HIS 205 Ca 0.00 -0.83 -0.25 0.00 -0.15 0.00 0.00 55.06 53.83 1jgt s HIS 205 Cb -0.13 -1.80 -0.06 0.00 1.11 0.00 0.00 32.58 31.70 1jgt s HIS 205 CO 0.02 -0.31 0.77 1.03 -0.85 0.00 0.00 174.74 175.40 1jgt s ARG 206 N 0.38 4.52 0.00 1.40 0.52 -1.26 -0.94 118.95 123.57 1jgt s ARG 206 Ca -0.14 1.10 0.13 0.00 -0.52 0.00 0.00 55.73 56.30 1jgt s ARG 206 Cb -0.17 -3.34 0.12 0.00 0.52 0.00 0.00 34.95 32.08 1jgt s ARG 206 CO 0.07 0.35 0.92 0.25 0.02 0.00 0.00 175.30 176.91 1jgt n THR 207 N 2.53 0.07 -3.57 0.02 -2.24 0.17 -4.94 114.28 106.31 1jgt n THR 207 Ca -0.03 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 1jgt n THR 207 Cb 0.50 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1jgt n THR 207 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1jgt s TRP 208 N -1.04 -0.36 -0.13 4.78 -0.00 -1.22 -4.52 118.94 116.44 1jgt s TRP 208 Ca 0.15 0.56 -0.23 0.00 -0.00 0.00 0.00 56.10 56.58 1jgt s TRP 208 Cb 0.11 0.46 0.06 0.00 -0.00 0.00 0.00 33.47 34.10 1jgt s TRP 208 CO 0.16 -0.37 0.58 -0.08 -0.00 0.00 0.00 176.95 177.24 1jgt s THR 209 N -1.44 0.01 0.35 5.86 -1.32 -1.26 -4.78 115.64 113.06 1jgt s THR 209 Ca -0.01 -0.07 -0.28 0.00 -1.21 0.00 0.00 61.69 60.12 1jgt s THR 209 Cb -0.01 -0.86 -0.12 0.00 -1.51 0.00 0.00 72.50 70.01 1jgt s THR 209 CO 0.00 -0.04 1.35 -2.65 -2.21 0.00 0.00 174.62 171.07 1jgt n PRO 210 N 1.90 2.28 -2.24 7.08 -0.02 -1.26 -4.93 135.00 137.81 1jgt n PRO 210 Ca -0.17 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 1jgt n PRO 210 Cb 0.56 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1jgt n PRO 210 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jgt s GLY 211 N -0.22 2.79 -0.02 -1.23 0.00 -1.26 -4.93 107.32 102.45 1jgt s GLY 211 Ca 0.55 0.96 0.13 0.00 0.00 0.00 0.00 44.72 46.37 1jgt s GLY 211 CO 0.62 1.43 0.31 1.04 0.00 0.00 0.00 173.10 176.49 1jgt n LEU 212 N -0.44 0.03 -4.91 0.66 4.77 -1.26 -4.89 117.00 110.96 1jgt n LEU 212 Ca 0.07 -0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1jgt n LEU 212 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1jgt n LEU 212 CO 0.48 0.01 0.49 -0.94 -1.33 0.00 0.00 177.39 176.10 1jgt s SER 213 N -3.46 5.89 0.09 -1.43 1.04 -1.26 -5.09 113.70 109.48 1jgt s SER 213 Ca -0.04 0.80 0.09 0.00 0.48 0.00 0.00 55.95 57.28 1jgt s SER 213 Cb 0.09 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.24 1jgt s SER 213 CO 0.55 -0.85 -0.24 -0.13 0.98 0.00 0.00 173.24 173.55 1jgt s ARG 214 N -4.88 1.39 -0.06 4.02 1.81 -1.26 -4.64 118.95 115.34 1jgt s ARG 214 Ca 0.51 -1.19 -0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1jgt s ARG 214 Cb -0.10 -1.71 -0.04 0.00 -0.45 0.00 0.00 34.95 32.65 1jgt s ARG 214 CO 0.45 0.42 0.07 0.50 -0.68 0.00 0.00 175.30 176.05 1jgt s ARG 215 N -1.74 3.12 -0.18 3.54 3.52 0.33 -4.86 118.95 122.68 1jgt s ARG 215 Ca 0.11 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.28 1jgt s ARG 215 Cb -0.10 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1jgt s ARG 215 CO 0.04 0.69 -0.01 0.42 -0.81 0.00 0.00 175.30 175.64 1jgt s ILE 216 N -1.06 4.01 -0.03 4.11 1.01 -1.26 -1.69 121.20 126.28 1jgt s ILE 216 Ca 0.18 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1jgt s ILE 216 Cb -0.12 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1jgt s ILE 216 CO 0.08 0.45 0.17 -0.76 0.00 0.00 0.00 174.94 174.88 1jgt s LEU 217 N 0.72 1.40 0.72 2.97 1.43 -1.26 -5.08 118.68 119.57 1jgt s LEU 217 Ca -0.00 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1jgt s LEU 217 Cb -0.14 0.69 0.03 0.00 0.03 0.00 0.00 46.19 46.80 1jgt s LEU 217 CO 0.02 -0.24 1.12 -2.16 0.23 0.00 0.00 176.35 175.32 1jgt s PRO 218 N -0.73 2.44 0.18 1.29 0.04 -1.26 -4.72 135.00 132.24 1jgt s PRO 218 Ca -0.08 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.14 1jgt s PRO 218 Cb -0.05 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1jgt s PRO 218 CO 0.01 -1.53 1.60 0.93 0.04 0.00 0.00 177.00 178.05 1jgt h GLU 219 N -0.47 -0.18 -0.34 4.56 5.08 -2.01 -0.99 114.58 120.24 1jgt h GLU 219 Ca -0.46 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1jgt h GLU 219 Cb 1.25 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 1jgt h GLU 219 CO 0.52 -0.12 -0.14 0.78 -1.00 0.00 0.00 179.01 179.05 1jgt h GLY 220 N -0.18 0.15 1.23 -3.84 0.00 -1.99 0.82 103.07 99.25 1jgt h GLY 220 Ca 0.21 0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 1jgt h GLY 220 CO -0.58 -0.16 -0.22 0.83 0.00 0.00 0.00 176.54 176.40 1jgt h GLU 221 N -0.07 0.88 -0.37 4.80 5.08 -1.83 -1.13 114.58 121.94 1jgt h GLU 221 Ca 0.17 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1jgt h GLU 221 Cb 0.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1jgt h GLU 221 CO -0.39 1.02 0.12 0.00 -1.00 0.00 0.00 179.01 178.76 1jgt h ALA 222 N 0.97 0.49 -0.42 3.43 0.00 -0.80 -0.29 119.26 122.64 1jgt h ALA 222 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jgt h ALA 222 Cb 0.77 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1jgt h ALA 222 CO 0.06 0.13 0.13 0.28 0.00 0.00 0.00 179.25 179.85 1jgt h VAL 223 N 0.45 1.22 -0.67 0.00 2.07 -0.76 -1.96 116.25 116.60 1jgt h VAL 223 Ca 0.12 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1jgt h VAL 223 Cb 0.25 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1jgt h VAL 223 CO -0.00 0.26 0.21 0.00 0.02 0.00 0.00 177.57 178.06 1jgt h ALA 224 N 0.98 0.88 -0.52 1.67 0.00 -1.04 -2.32 119.26 118.91 1jgt h ALA 224 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1jgt h ALA 224 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jgt h ALA 224 CO -0.00 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.78 1jgt h ALA 225 N 1.09 0.70 -0.56 0.00 0.00 -0.92 -1.40 119.26 118.17 1jgt h ALA 225 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jgt h ALA 225 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jgt h ALA 225 CO -0.01 0.53 0.22 0.28 0.00 0.00 0.00 179.25 180.27 1jgt h VAL 226 N 0.79 1.23 -0.17 0.00 2.07 -1.27 -0.36 116.25 118.54 1jgt h VAL 226 Ca 0.14 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1jgt h VAL 226 Cb 0.55 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1jgt h VAL 226 CO 0.03 0.27 0.07 -0.09 0.02 0.00 0.00 177.57 177.87 1jgt h ARG 227 N 0.77 0.26 -0.90 1.57 9.65 -1.31 -1.73 114.38 122.69 1jgt h ARG 227 Ca 0.19 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1jgt h ARG 227 Cb 0.21 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1jgt h ARG 227 CO -0.01 0.33 0.49 0.00 2.80 0.00 0.00 179.97 183.58 1jgt h ALA 228 N 0.91 1.15 -0.38 2.80 0.00 -1.11 -1.04 119.26 121.59 1jgt h ALA 228 Ca 0.06 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1jgt h ALA 228 Cb 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jgt h ALA 228 CO -0.00 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.65 1jgt h ALA 229 N 1.27 0.55 -0.35 0.00 0.00 -0.92 -2.30 119.26 117.50 1jgt h ALA 229 Ca 0.32 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1jgt h ALA 229 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jgt h ALA 229 CO -0.05 0.55 -0.10 1.25 0.00 0.00 0.00 179.25 180.90 1jgt h LEU 230 N 0.65 0.70 -0.71 0.00 5.85 -1.12 -1.20 115.31 119.49 1jgt h LEU 230 Ca 0.08 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1jgt h LEU 230 Cb 0.83 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1jgt h LEU 230 CO 0.07 0.91 0.40 -0.33 -0.34 0.00 0.00 178.44 179.16 1jgt h GLU 231 N 0.48 0.71 -0.08 1.25 4.39 -1.17 -0.36 114.58 119.81 1jgt h GLU 231 Ca 0.09 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1jgt h GLU 231 Cb 0.62 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1jgt h GLU 231 CO 0.04 0.47 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.11 1jgt h LYS 232 N 0.73 0.16 -0.41 2.33 3.64 -1.28 -0.45 116.57 121.29 1jgt h LYS 232 Ca 0.32 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1jgt h LYS 232 Cb 0.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1jgt h LYS 232 CO -0.19 0.50 0.27 0.00 -2.27 0.00 0.00 179.45 177.76 1jgt h ALA 233 N 0.66 1.72 0.04 5.00 0.00 -0.90 -0.62 119.26 125.17 1jgt h ALA 233 Ca 0.02 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1jgt h ALA 233 Cb 0.44 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jgt h ALA 233 CO 0.01 0.25 -1.03 0.28 0.00 0.00 0.00 179.25 178.77 1jgt h VAL 234 N 0.54 1.31 -0.95 0.00 2.07 -0.99 -3.00 116.25 115.24 1jgt h VAL 234 Ca 0.15 -2.29 0.04 0.00 0.82 0.00 0.00 66.70 65.42 1jgt h VAL 234 Cb -0.04 2.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 1jgt h VAL 234 CO -0.03 0.70 0.62 0.00 0.02 0.00 0.00 177.57 178.87 1jgt h ALA 235 N 0.34 1.26 0.00 1.67 0.00 -0.53 -0.42 119.26 121.57 1jgt h ALA 235 Ca -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1jgt h ALA 235 Cb 1.70 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1jgt h ALA 235 CO 0.20 0.49 -0.12 1.96 0.00 0.00 0.00 179.25 181.78 1jgt h GLN 236 N 1.19 0.00 -0.01 0.00 4.20 -1.13 -2.63 115.11 116.73 1jgt h GLN 236 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1jgt h GLN 236 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1jgt h GLN 236 CO -0.12 0.12 -0.33 0.54 -0.67 0.00 0.00 178.83 178.37 1jgt n ARG 237 N -3.69 1.05 -3.96 1.46 1.74 -0.24 -4.86 116.66 108.16 1jgt n ARG 237 Ca -0.02 -0.74 -0.35 0.00 -0.77 0.00 0.00 57.85 55.97 1jgt n ARG 237 Cb 0.24 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 1jgt n ARG 237 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jgt s VAL 238 N -2.46 4.34 0.10 1.55 1.01 -0.79 -5.03 120.40 119.13 1jgt s VAL 238 Ca 0.23 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1jgt s VAL 238 Cb 0.19 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1jgt s VAL 238 CO 0.53 0.40 1.18 -0.89 0.00 0.00 0.00 175.10 176.32 1jgt s THR 239 N 1.01 3.94 0.21 3.92 2.01 -1.26 -4.95 115.64 120.53 1jgt s THR 239 Ca 0.03 1.47 -0.32 0.00 0.31 0.00 0.00 61.69 63.18 1jgt s THR 239 Cb -0.14 -3.94 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 1jgt s THR 239 CO 0.03 0.16 1.66 -2.65 -0.69 0.00 0.00 174.62 173.13 1jgt n PRO 240 N 3.43 2.61 0.00 4.92 -0.02 -1.26 -2.12 135.00 142.56 1jgt n PRO 240 Ca 0.07 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1jgt n PRO 240 Cb 0.46 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1jgt n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jgt n GLY 241 N 3.50 2.58 3.73 -1.23 0.00 -1.26 -5.01 105.19 107.50 1jgt n GLY 241 Ca 0.15 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1jgt n GLY 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgt s ASP 242 N 0.35 6.85 -0.23 1.61 2.15 -0.90 -5.05 116.67 121.45 1jgt s ASP 242 Ca 0.00 1.01 -0.26 0.00 0.43 0.00 0.00 52.55 53.73 1jgt s ASP 242 Cb 0.00 -2.34 -0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1jgt s ASP 242 CO 0.00 -0.01 0.90 -0.89 -0.17 0.00 0.00 175.17 175.01 1jgt s THR 243 N 0.46 4.79 0.69 1.71 2.01 -1.26 -4.56 115.64 119.48 1jgt s THR 243 Ca 0.31 1.74 -0.09 0.00 0.31 0.00 0.00 61.69 63.95 1jgt s THR 243 Cb -0.17 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.19 1jgt s THR 243 CO 0.14 -0.10 1.04 -2.16 -0.69 0.00 0.00 174.62 172.85 1jgt s PRO 244 N 2.90 2.57 -0.12 4.92 0.04 -1.26 -4.85 135.00 139.19 1jgt s PRO 244 Ca 0.38 0.11 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 1jgt s PRO 244 Cb -0.15 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1jgt s PRO 244 CO 0.07 -1.09 -0.09 -1.17 0.04 0.00 0.00 177.00 174.76 1jgt s LEU 245 N -5.27 2.96 -0.16 -3.56 2.96 -0.92 -2.13 118.68 112.56 1jgt s LEU 245 Ca 0.58 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1jgt s LEU 245 Cb -0.11 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1jgt s LEU 245 CO 0.48 0.22 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.91 1jgt s VAL 246 N 0.06 2.90 -0.52 1.68 1.01 0.35 -1.26 120.40 124.63 1jgt s VAL 246 Ca -0.03 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1jgt s VAL 246 Cb -0.14 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1jgt s VAL 246 CO 0.04 0.50 1.17 0.68 0.00 0.00 0.00 175.10 177.48 1jgt s VAL 247 N 0.84 4.12 -0.13 2.92 -7.23 -1.09 -1.98 120.40 117.84 1jgt s VAL 247 Ca -0.04 1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 61.18 1jgt s VAL 247 Cb -0.15 -4.65 -0.03 0.00 0.56 0.00 0.00 36.38 32.11 1jgt s VAL 247 CO 0.00 -1.15 -0.01 -0.22 -0.31 0.00 0.00 175.10 173.41 1jgt s LEU 248 N 4.70 3.46 0.00 1.32 2.96 0.32 -4.60 118.68 126.83 1jgt s LEU 248 Ca 0.46 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1jgt s LEU 248 Cb -0.07 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1jgt s LEU 248 CO 0.29 0.25 0.01 -1.54 -1.32 0.00 0.00 176.35 174.04 1jgt n SER 249 N 3.02 1.63 -0.16 3.68 3.41 -1.26 -4.11 113.62 119.82 1jgt n SER 249 Ca -0.18 -1.15 0.14 0.00 -0.26 0.00 0.00 58.87 57.42 1jgt n SER 249 Cb 0.53 0.01 0.57 0.00 -0.26 0.00 0.00 64.21 65.06 1jgt n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jgt n GLY 250 N 4.53 -0.81 3.85 5.00 0.00 -1.26 -4.37 105.19 112.13 1jgt n GLY 250 Ca -0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1jgt n GLY 250 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jgt s GLY 251 N -2.43 1.65 0.44 -0.02 0.00 -1.26 -4.76 107.32 100.95 1jgt s GLY 251 Ca 0.29 -0.08 0.13 0.00 0.00 0.00 0.00 44.72 45.06 1jgt s GLY 251 CO 0.47 0.23 2.01 1.19 0.00 0.00 0.00 173.10 177.01 1jgt h ILE 252 N -0.56 1.11 0.89 0.90 6.09 -1.88 -2.53 117.51 121.53 1jgt h ILE 252 Ca -0.44 -0.49 -0.04 0.00 -1.37 0.00 0.00 64.86 62.52 1jgt h ILE 252 Cb 1.21 1.16 0.01 0.00 0.47 0.00 0.00 36.82 39.67 1jgt h ILE 252 CO 0.60 0.15 -0.43 0.44 -3.07 0.00 0.00 178.15 175.84 1jgt h ASP 253 N 0.11 -1.02 0.34 2.19 3.32 -1.94 0.14 116.42 119.56 1jgt h ASP 253 Ca 0.02 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1jgt h ASP 253 Cb 0.23 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1jgt h ASP 253 CO 0.01 -0.68 -0.43 0.77 -1.72 0.00 0.00 179.24 177.19 1jgt h SER 254 N -1.29 0.13 -0.63 6.45 4.64 -1.80 -2.45 113.55 118.60 1jgt h SER 254 Ca -0.12 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 1jgt h SER 254 Cb 0.92 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1jgt h SER 254 CO 0.20 0.55 0.05 0.28 -0.87 0.00 0.00 176.83 177.04 1jgt h SER 255 N 0.11 1.05 -0.74 4.97 0.02 -1.42 0.91 113.55 118.44 1jgt h SER 255 Ca 0.01 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1jgt h SER 255 Cb 0.82 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1jgt h SER 255 CO 0.06 1.07 0.22 1.23 -1.14 0.00 0.00 176.83 178.27 1jgt h GLY 256 N 1.02 1.24 0.96 -3.77 0.00 -0.41 -1.01 103.07 101.10 1jgt h GLY 256 Ca 0.19 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1jgt h GLY 256 CO 0.02 0.70 -0.09 -2.08 0.00 0.00 0.00 176.54 175.09 1jgt h VAL 257 N 1.10 1.28 -0.41 4.60 2.07 -1.12 -2.43 116.25 121.34 1jgt h VAL 257 Ca 0.24 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1jgt h VAL 257 Cb 0.33 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1jgt h VAL 257 CO -0.01 0.39 0.15 0.00 0.02 0.00 0.00 177.57 178.12 1jgt h ALA 258 N 0.83 0.49 -0.74 1.67 0.00 -0.46 0.14 119.26 121.18 1jgt h ALA 258 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jgt h ALA 258 Cb 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1jgt h ALA 258 CO 0.04 -0.24 0.49 0.00 0.00 0.00 0.00 179.25 179.54 1jgt h ALA 259 N 1.26 0.95 -0.39 0.00 0.00 -1.10 -0.40 119.26 119.58 1jgt h ALA 259 Ca 0.19 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1jgt h ALA 259 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jgt h ALA 259 CO -0.19 0.34 -0.37 0.00 0.00 0.00 0.00 179.25 179.03 1jgt h ALA 261 N 0.81 0.88 -0.30 0.00 0.00 -0.51 -1.19 119.26 118.95 1jgt h ALA 261 Ca 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1jgt h ALA 261 Cb 0.96 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1jgt h ALA 261 CO 0.09 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.31 1jgt h HIS 262 N 0.56 0.48 -0.54 0.00 6.17 -1.03 0.21 115.15 120.99 1jgt h HIS 262 Ca 0.07 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1jgt h HIS 262 Cb 0.81 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 1jgt h HIS 262 CO 0.04 0.51 0.36 -0.09 0.71 0.00 0.00 177.93 179.45 1jgt h ARG 263 N 0.32 0.72 -0.23 5.26 2.43 -1.22 0.65 114.38 122.31 1jgt h ARG 263 Ca 0.09 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1jgt h ARG 263 Cb 0.26 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1jgt h ARG 263 CO -0.00 0.48 -0.50 0.00 -1.51 0.00 0.00 179.97 178.44 1jgt h ALA 264 N 1.19 0.69 0.00 2.80 0.00 -0.99 -3.29 119.26 119.67 1jgt h ALA 264 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1jgt h ALA 264 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jgt h ALA 264 CO -0.04 0.68 -1.46 0.00 0.00 0.00 0.00 179.25 178.42 1jgt n ALA 265 N -2.52 2.78 -0.84 0.00 0.00 0.70 -4.95 120.51 115.68 1jgt n ALA 265 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1jgt n ALA 265 Cb 0.58 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1jgt n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 266 N 1.24 1.16 3.41 0.00 0.00 0.23 -4.93 105.19 106.30 1jgt n GLY 266 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1jgt n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jgt s GLU 267 N -0.07 1.18 -0.22 1.61 2.56 -1.22 -5.01 118.70 117.54 1jgt s GLU 267 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 54.97 54.40 1jgt s GLU 267 Cb 0.00 0.54 0.06 0.00 2.00 0.00 0.00 34.13 36.73 1jgt s GLU 267 CO 0.00 -0.48 0.57 -1.17 -0.56 0.00 0.00 175.26 173.61 1jgt s LEU 268 N -2.46 -0.25 -0.13 2.70 2.96 -1.26 -4.50 118.68 115.74 1jgt s LEU 268 Ca -0.01 1.16 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 1jgt s LEU 268 Cb -0.00 1.94 -0.03 0.00 0.50 0.00 0.00 46.19 48.59 1jgt s LEU 268 CO -0.08 -0.20 -0.01 -1.81 -1.32 0.00 0.00 176.35 172.93 1jgt s ASP 269 N 0.57 5.08 0.13 3.68 -0.00 -0.90 -1.64 116.67 123.58 1jgt s ASP 269 Ca -0.02 0.01 0.05 0.00 -0.00 0.00 0.00 52.55 52.58 1jgt s ASP 269 Cb -0.05 -1.68 -0.04 0.00 -0.00 0.00 0.00 42.92 41.16 1jgt s ASP 269 CO -0.03 0.25 -0.12 0.42 -0.00 0.00 0.00 175.17 175.69 1jgt s THR 270 N -0.12 1.20 -0.11 -1.27 -4.23 -0.38 -0.49 115.64 110.24 1jgt s THR 270 Ca 0.04 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1jgt s THR 270 Cb -0.13 -1.61 0.04 0.00 1.34 0.00 0.00 72.50 72.14 1jgt s THR 270 CO 0.02 -0.56 0.29 0.54 -0.54 0.00 0.00 174.62 174.36 1jgt s VAL 271 N -2.62 -0.01 0.02 2.29 0.11 -0.84 -2.01 120.40 117.34 1jgt s VAL 271 Ca 0.11 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.26 1jgt s VAL 271 Cb -0.02 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1jgt s VAL 271 CO 0.02 0.02 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.19 1jgt s SER 272 N 0.54 2.05 0.11 3.54 0.01 -0.40 -0.52 113.70 119.03 1jgt s SER 272 Ca -0.03 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 56.89 1jgt s SER 272 Cb -0.05 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 1jgt s SER 272 CO -0.03 0.14 -0.13 -0.32 0.41 0.00 0.00 173.24 173.31 1jgt s MET 273 N -0.86 1.98 0.17 12.44 1.75 -1.26 -0.57 119.30 132.94 1jgt s MET 273 Ca 0.05 -1.09 -0.02 0.00 -1.25 0.00 0.00 55.69 53.38 1jgt s MET 273 Cb -0.08 -2.22 -0.04 0.00 2.84 0.00 0.00 34.83 35.34 1jgt s MET 273 CO 0.01 0.50 0.12 0.20 -0.65 0.00 0.00 175.02 175.20 1jgt s GLY 274 N -2.18 1.14 0.26 2.11 0.00 0.20 -4.59 107.32 104.26 1jgt s GLY 274 Ca 0.20 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1jgt s GLY 274 CO 0.12 -1.31 0.03 -1.30 0.00 0.00 0.00 173.10 170.64 1jgt n THR 275 N -0.19 0.00 1.75 0.90 -2.24 -0.10 -0.35 114.28 114.05 1jgt n THR 275 Ca -0.02 -1.30 0.14 0.00 -2.27 0.00 0.00 64.05 60.61 1jgt n THR 275 Cb 0.65 0.33 0.72 0.00 -2.10 0.00 0.00 70.33 69.93 1jgt n THR 275 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jgt n ASP 276 N -1.38 0.71 -0.11 3.42 5.68 -1.25 -3.61 116.55 120.01 1jgt n ASP 276 Ca -0.08 -1.27 -0.18 0.00 -0.50 0.00 0.00 54.79 52.75 1jgt n ASP 276 Cb 0.34 -0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 40.19 1jgt n ASP 276 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1jgt n THR 277 N -0.43 1.53 -3.67 2.12 -1.04 -1.26 -5.06 114.28 106.47 1jgt n THR 277 Ca 0.21 -0.60 -0.02 0.00 -2.04 0.00 0.00 64.05 61.60 1jgt n THR 277 Cb 0.22 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 1jgt n THR 277 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1jgt s SER 278 N -6.54 -0.15 0.14 8.00 1.04 -1.24 -5.19 113.70 109.78 1jgt s SER 278 Ca -0.31 -0.24 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 1jgt s SER 278 Cb 0.08 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1jgt s SER 278 CO 0.64 -0.60 0.98 0.54 0.98 0.00 0.00 173.24 175.78 1jgt s ASN 279 N -2.86 -0.17 -0.25 7.02 2.20 -1.26 -0.92 114.94 118.70 1jgt s ASN 279 Ca 0.12 -0.38 0.15 0.00 -0.94 0.00 0.00 52.86 51.81 1jgt s ASN 279 Cb 0.01 0.47 0.47 0.00 -2.00 0.00 0.00 41.25 40.20 1jgt s ASN 279 CO -0.02 -0.86 1.16 -0.62 -2.94 0.00 0.00 177.10 173.83 1jgt n GLU 280 N -0.47 2.42 -0.19 3.55 1.02 -1.26 -4.86 120.64 120.85 1jgt n GLU 280 Ca -0.06 -3.66 -0.05 0.00 -0.02 0.00 0.00 57.16 53.38 1jgt n GLU 280 Cb 0.61 -1.78 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 1jgt n GLU 280 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1jgt h PHE 281 N 2.09 0.60 -0.42 -0.32 0.04 -1.96 -0.54 116.94 116.43 1jgt h PHE 281 Ca 0.10 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1jgt h PHE 281 Cb 1.42 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 39.36 1jgt h PHE 281 CO 0.66 0.33 0.22 -0.09 -0.60 0.00 0.00 178.31 178.83 1jgt h ARG 282 N 0.63 0.59 -0.31 1.51 2.43 -1.99 0.13 114.38 117.37 1jgt h ARG 282 Ca 0.23 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1jgt h ARG 282 Cb 0.06 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1jgt h ARG 282 CO -0.12 0.49 0.18 0.93 -1.51 0.00 0.00 179.97 179.94 1jgt h GLU 283 N 0.55 0.42 -0.43 0.20 3.07 -1.85 -2.82 114.58 113.72 1jgt h GLU 283 Ca 0.15 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1jgt h GLU 283 Cb 0.07 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1jgt h GLU 283 CO -0.02 0.33 -0.07 0.00 -1.40 0.00 0.00 179.01 177.85 1jgt h ALA 284 N 1.06 1.07 -0.93 3.43 0.00 -0.88 -2.96 119.26 120.06 1jgt h ALA 284 Ca 0.11 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1jgt h ALA 284 Cb 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1jgt h ALA 284 CO -0.02 0.57 0.60 -0.09 0.00 0.00 0.00 179.25 180.31 1jgt h ARG 285 N 0.68 0.88 -0.95 0.00 9.65 -0.49 0.83 114.38 124.98 1jgt h ARG 285 Ca 0.12 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1jgt h ARG 285 Cb 0.52 -0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 1jgt h ARG 285 CO 0.03 0.58 0.60 0.00 2.80 0.00 0.00 179.97 183.98 1jgt h ALA 286 N 1.55 1.33 0.08 2.80 0.00 -1.39 -0.66 119.26 122.97 1jgt h ALA 286 Ca 0.45 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.08 1jgt h ALA 286 Cb 0.47 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jgt h ALA 286 CO -0.21 0.35 -1.13 0.28 0.00 0.00 0.00 179.25 178.54 1jgt h VAL 287 N 1.07 1.37 -0.71 0.00 2.07 -1.23 -2.38 116.25 116.43 1jgt h VAL 287 Ca 0.42 -2.58 0.09 0.00 0.82 0.00 0.00 66.70 65.45 1jgt h VAL 287 Cb 0.22 2.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 1jgt h VAL 287 CO -0.19 0.77 0.37 0.58 0.02 0.00 0.00 177.57 179.12 1jgt h VAL 288 N 0.22 0.87 0.07 2.57 2.07 -0.08 -1.62 116.25 120.35 1jgt h VAL 288 Ca -0.14 -0.22 -0.25 0.00 0.82 0.00 0.00 66.70 66.91 1jgt h VAL 288 Cb 1.80 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1jgt h VAL 288 CO 0.20 0.12 -1.09 0.44 0.02 0.00 0.00 177.57 177.26 1jgt h ASP 289 N 0.63 0.50 -0.72 0.57 3.32 -1.20 0.48 116.42 120.01 1jgt h ASP 289 Ca 0.35 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1jgt h ASP 289 Cb 0.34 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1jgt h ASP 289 CO -0.25 1.30 0.41 -0.74 -1.72 0.00 0.00 179.24 178.24 1jgt h HIS 290 N 0.16 0.99 0.00 4.55 2.76 -1.02 -2.60 115.15 119.99 1jgt h HIS 290 Ca -0.11 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1jgt h HIS 290 Cb 1.77 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1jgt h HIS 290 CO 0.07 0.68 -0.93 1.28 -1.30 0.00 0.00 177.93 177.73 1jgt n LEU 291 N -4.36 0.92 -3.19 0.26 4.77 -0.65 -5.03 117.00 109.71 1jgt n LEU 291 Ca 0.07 -0.50 -0.16 0.00 -0.03 0.00 0.00 56.01 55.40 1jgt n LEU 291 Cb 0.09 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1jgt n LEU 291 CO 0.38 0.23 0.00 -1.14 -1.33 0.00 0.00 177.39 175.53 1jgt n ARG 292 N -1.47 -1.90 -3.75 3.23 0.63 0.15 -4.94 116.66 108.61 1jgt n ARG 292 Ca 0.04 1.61 -0.22 0.00 -0.92 0.00 0.00 57.85 58.36 1jgt n ARG 292 Cb 0.31 -4.36 -0.04 0.00 0.45 0.00 0.00 32.46 28.81 1jgt n ARG 292 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1jgt s THR 293 N -2.50 2.58 -0.55 5.15 -4.23 -0.29 -4.79 115.64 111.01 1jgt s THR 293 Ca 0.18 -1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 1jgt s THR 293 Cb -0.04 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.85 1jgt s THR 293 CO 0.81 -0.01 0.84 -0.60 -0.54 0.00 0.00 174.62 175.12 1jgt s ARG 294 N -4.05 3.23 0.08 3.99 3.00 -0.65 -4.93 118.95 119.61 1jgt s ARG 294 Ca 0.46 -0.56 0.01 0.00 -1.00 0.00 0.00 55.73 54.64 1jgt s ARG 294 Cb -0.01 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.80 1jgt s ARG 294 CO 0.26 -1.45 0.17 -1.58 0.00 0.00 0.00 175.30 172.70 1jgt s HIS 295 N 3.53 3.40 -0.01 5.12 5.65 -1.26 -1.25 115.29 130.48 1jgt s HIS 295 Ca 0.24 0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.73 1jgt s HIS 295 Cb -0.15 -1.70 0.01 0.00 -1.18 0.00 0.00 32.58 29.55 1jgt s HIS 295 CO 0.15 0.56 0.01 0.50 -0.65 0.00 0.00 174.74 175.32 1jgt s ARG 296 N -2.54 -0.01 -0.15 2.88 3.52 -0.85 -4.98 118.95 116.81 1jgt s ARG 296 Ca 0.33 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.99 1jgt s ARG 296 Cb -0.13 -0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1jgt s ARG 296 CO 0.26 -0.06 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.38 1jgt s GLU 297 N 0.40 3.41 -0.14 5.12 2.02 -1.26 -1.27 118.70 126.97 1jgt s GLU 297 Ca -0.03 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1jgt s GLU 297 Cb -0.05 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.44 1jgt s GLU 297 CO -0.01 0.12 -0.22 0.42 0.02 0.00 0.00 175.26 175.59 1jgt s ILE 298 N 0.61 2.06 -0.19 -1.63 1.01 0.26 -4.98 121.20 118.35 1jgt s ILE 298 Ca -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 1jgt s ILE 298 Cb -0.15 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1jgt s ILE 298 CO 0.03 0.55 -0.08 -0.89 0.00 0.00 0.00 174.94 174.55 1jgt s THR 299 N 0.86 3.22 -0.11 2.92 2.01 -1.26 0.62 115.64 123.90 1jgt s THR 299 Ca -0.06 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1jgt s THR 299 Cb -0.15 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1jgt s THR 299 CO -0.03 0.47 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.57 1jgt s ILE 300 N 1.08 2.75 0.40 1.82 1.01 0.53 -4.94 121.20 123.84 1jgt s ILE 300 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 1jgt s ILE 300 Cb -0.15 -2.11 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 1jgt s ILE 300 CO -0.01 0.54 1.47 -2.65 0.00 0.00 0.00 174.94 174.29 1jgt n PRO 301 N 3.31 2.56 -0.29 2.79 -0.02 -1.26 -3.89 135.00 138.20 1jgt n PRO 301 Ca -0.18 0.90 0.22 0.00 -2.02 0.00 0.00 63.50 62.42 1jgt n PRO 301 Cb 0.53 -2.65 0.53 0.00 -0.02 0.00 0.00 33.50 31.88 1jgt n PRO 301 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jgt h THR 302 N 2.77 0.58 -0.61 3.45 2.02 -1.96 0.34 112.91 119.50 1jgt h THR 302 Ca -0.51 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1jgt h THR 302 Cb 1.25 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1jgt h THR 302 CO 0.63 0.07 0.29 0.00 0.37 0.00 0.00 175.52 176.88 1jgt h THR 303 N 0.37 1.20 0.00 3.16 1.03 -2.00 -1.89 112.91 114.79 1jgt h THR 303 Ca 0.54 -0.57 -0.11 0.00 -0.01 0.00 0.00 66.41 66.26 1jgt h THR 303 Cb 1.42 0.42 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1jgt h THR 303 CO -0.23 0.24 -0.51 -0.08 -0.01 0.00 0.00 175.52 174.93 1jgt h GLU 304 N 0.87 0.00 -0.48 0.00 4.57 -0.71 -2.80 114.58 116.02 1jgt h GLU 304 Ca 0.21 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1jgt h GLU 304 Cb 0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1jgt h GLU 304 CO -0.03 0.51 -0.13 1.25 -1.18 0.00 0.00 179.01 179.43 1jgt h LEU 305 N 0.00 0.95 -0.54 1.64 5.85 -0.49 -2.94 115.31 119.78 1jgt h LEU 305 Ca -0.01 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.19 1jgt h LEU 305 Cb 1.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1jgt h LEU 305 CO 0.07 1.10 -0.73 -0.07 -0.34 0.00 0.00 178.44 178.47 1jgt h LEU 306 N 0.79 0.07 0.00 2.25 -0.00 -1.42 -2.92 115.31 114.09 1jgt h LEU 306 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1jgt h LEU 306 Cb 0.69 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1jgt h LEU 306 CO 0.05 0.77 0.00 0.00 -0.00 0.00 0.00 178.44 179.26 1jgt n ALA 307 N -2.42 1.24 0.75 1.53 0.00 -1.06 -1.16 120.51 119.38 1jgt n ALA 307 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1jgt n ALA 307 Cb 0.70 -1.07 0.39 0.00 0.00 0.00 0.00 19.45 19.47 1jgt n ALA 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jgt n GLN 308 N -1.47 0.18 -0.31 0.00 1.13 -1.10 -4.32 117.38 111.48 1jgt n GLN 308 Ca 0.01 0.11 -0.01 0.00 -1.94 0.00 0.00 57.00 55.17 1jgt n GLN 308 Cb 0.05 -1.67 0.04 0.00 0.11 0.00 0.00 30.24 28.77 1jgt n GLN 308 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1jgt h LEU 309 N 0.00 -1.22 -0.98 1.08 3.38 -1.33 0.18 115.31 116.41 1jgt h LEU 309 Ca 0.00 0.27 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1jgt h LEU 309 Cb 0.65 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1jgt h LEU 309 CO 0.00 -0.29 -0.41 1.55 0.09 0.00 0.00 178.44 179.38 1jgt h PRO 310 N -0.05 0.00 -0.18 1.13 0.13 -1.84 -2.57 132.00 128.63 1jgt h PRO 310 Ca 0.33 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.24 1jgt h PRO 310 Cb 0.59 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.73 1jgt h PRO 310 CO -0.87 0.41 -0.73 1.88 -0.23 0.00 0.00 178.00 178.46 1jgt h TYR 311 N 0.00 1.04 -0.36 1.56 -1.99 -1.14 -1.11 116.97 114.97 1jgt h TYR 311 Ca -0.00 -0.44 -0.12 0.00 2.00 0.00 0.00 58.73 60.16 1jgt h TYR 311 Cb 0.88 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1jgt h TYR 311 CO 0.00 1.27 -0.27 0.00 -0.00 0.00 0.00 178.16 179.16 1jgt h ALA 312 N 0.62 0.85 -0.19 3.88 0.00 -0.71 -0.10 119.26 123.60 1jgt h ALA 312 Ca -0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1jgt h ALA 312 Cb 1.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jgt h ALA 312 CO 0.15 0.64 -0.28 0.28 0.00 0.00 0.00 179.25 180.04 1jgt h VAL 313 N 0.65 1.34 -0.54 0.00 2.07 -1.47 -0.18 116.25 118.11 1jgt h VAL 313 Ca 0.08 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.12 1jgt h VAL 313 Cb 0.78 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1jgt h VAL 313 CO 0.06 0.45 0.34 -0.25 0.02 0.00 0.00 177.57 178.20 1jgt h TRP 314 N 0.17 0.65 0.03 1.57 7.01 -1.09 0.62 115.95 124.91 1jgt h TRP 314 Ca 0.02 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.92 1jgt h TRP 314 Cb 0.85 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.71 1jgt h TRP 314 CO 0.09 0.39 -0.47 0.00 -2.79 0.00 0.00 178.44 175.66 1jgt h ALA 315 N 1.22 0.02 0.00 2.65 0.00 -1.02 -3.34 119.26 118.79 1jgt h ALA 315 Ca 0.21 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1jgt h ALA 315 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jgt h ALA 315 CO -0.07 0.23 -0.75 0.66 0.00 0.00 0.00 179.25 179.32 1jgt h SER 316 N -0.37 0.00 -3.76 0.00 4.64 -1.04 -3.42 113.55 109.59 1jgt h SER 316 Ca -0.07 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.84 1jgt h SER 316 Cb 1.25 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1jgt h SER 316 CO 0.09 0.63 -0.57 -0.62 -0.87 0.00 0.00 176.83 175.50 1jgt n GLU 317 N -3.21 -3.27 -3.97 4.77 1.02 0.22 -4.84 120.64 111.37 1jgt n GLU 317 Ca -0.00 0.95 -0.31 0.00 -0.02 0.00 0.00 57.16 57.78 1jgt n GLU 317 Cb 0.80 -5.71 -0.05 0.00 -0.02 0.00 0.00 31.44 26.46 1jgt n GLU 317 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jgt s SER 318 N -2.37 6.07 0.00 1.62 0.15 -1.25 -5.01 113.70 112.91 1jgt s SER 318 Ca 0.15 0.18 0.07 0.00 0.70 0.00 0.00 55.95 57.05 1jgt s SER 318 Cb -0.07 -1.80 0.16 0.00 -1.71 0.00 0.00 66.02 62.61 1jgt s SER 318 CO 0.19 0.17 1.04 1.33 1.20 0.00 0.00 173.24 177.17 1jgt n VAL 319 N 0.38 0.68 -3.02 4.45 0.24 -1.26 -4.83 118.33 114.97 1jgt n VAL 319 Ca -0.06 -0.84 -0.42 0.00 -2.04 0.00 0.00 64.34 60.97 1jgt n VAL 319 Cb 0.51 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 1jgt n VAL 319 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jgt s ASP 320 N -0.88 6.46 0.23 -1.34 -1.08 -1.26 -4.72 116.67 114.08 1jgt s ASP 320 Ca 0.14 0.12 -0.06 0.00 -0.52 0.00 0.00 52.55 52.22 1jgt s ASP 320 Cb 0.08 -2.36 0.35 0.00 -1.46 0.00 0.00 42.92 39.52 1jgt s ASP 320 CO 0.10 -0.74 1.79 -0.65 0.52 0.00 0.00 175.17 176.20 1jgt h PRO 321 N 8.63 0.64 -0.54 4.34 0.11 -1.92 0.13 132.00 143.39 1jgt h PRO 321 Ca -0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1jgt h PRO 321 Cb 1.10 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1jgt h PRO 321 CO 0.90 0.42 0.21 -0.44 -0.21 0.00 0.00 178.00 178.88 1jgt h ASP 322 N 0.66 0.75 -0.41 -2.05 3.45 -1.96 -1.11 116.42 115.75 1jgt h ASP 322 Ca 0.36 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.54 1jgt h ASP 322 Cb 0.36 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1jgt h ASP 322 CO -0.26 0.72 -0.15 0.40 -1.57 0.00 0.00 179.24 178.38 1jgt h ILE 323 N 0.73 1.28 -0.71 0.35 1.08 -1.86 -2.58 117.51 115.80 1jgt h ILE 323 Ca 0.18 -1.27 0.03 0.00 -0.39 0.00 0.00 64.86 63.41 1jgt h ILE 323 Cb 0.21 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 1jgt h ILE 323 CO -0.01 0.43 0.47 0.40 -0.69 0.00 0.00 178.15 178.74 1jgt h ILE 324 N 0.64 1.11 -0.41 -0.67 1.08 -0.74 -1.55 117.51 116.97 1jgt h ILE 324 Ca 0.10 -0.30 -0.13 0.00 -0.39 0.00 0.00 64.86 64.14 1jgt h ILE 324 Cb 0.70 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1jgt h ILE 324 CO 0.05 0.16 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.08 1jgt h GLU 325 N 0.87 0.90 -0.81 2.37 5.08 -1.00 -2.44 114.58 119.55 1jgt h GLU 325 Ca 0.28 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1jgt h GLU 325 Cb 0.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1jgt h GLU 325 CO -0.08 1.07 0.52 1.88 -1.00 0.00 0.00 179.01 181.41 1jgt h TYR 326 N 0.72 0.98 0.00 4.33 0.99 -1.01 -2.89 116.97 120.10 1jgt h TYR 326 Ca 0.08 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1jgt h TYR 326 Cb 0.84 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 38.24 1jgt h TYR 326 CO 0.06 0.58 0.00 1.28 -0.00 0.00 0.00 178.16 180.08 1jgt n LEU 327 N -4.57 0.67 0.11 3.88 4.77 -0.64 -4.04 117.00 117.17 1jgt n LEU 327 Ca 0.09 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.55 1jgt n LEU 327 Cb 0.07 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1jgt n LEU 327 CO 0.34 -0.34 0.78 -0.07 -1.33 0.00 0.00 177.39 176.77 1jgt h LEU 328 N 0.00 -0.36 -0.58 2.23 3.38 -1.22 0.05 115.31 118.81 1jgt h LEU 328 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1jgt h LEU 328 Cb 0.54 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1jgt h LEU 328 CO 0.00 -0.20 0.25 1.55 0.09 0.00 0.00 178.44 180.12 1jgt h PRO 329 N -0.29 0.86 -0.92 1.13 0.13 -1.77 -1.12 132.00 130.03 1jgt h PRO 329 Ca 0.01 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1jgt h PRO 329 Cb 0.28 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.23 1jgt h PRO 329 CO -0.05 0.73 0.57 -0.07 -0.23 0.00 0.00 178.00 178.95 1jgt h LEU 330 N 0.80 1.09 -0.43 1.56 3.38 -1.71 0.68 115.31 120.67 1jgt h LEU 330 Ca 0.20 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1jgt h LEU 330 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jgt h LEU 330 CO -0.02 0.82 0.00 0.74 0.09 0.00 0.00 178.44 180.08 1jgt h THR 331 N 1.26 1.26 -0.69 0.22 2.02 -0.73 -1.67 112.91 114.57 1jgt h THR 331 Ca 0.33 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1jgt h THR 331 Cb -0.08 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1jgt h THR 331 CO -0.06 0.35 0.36 0.00 0.37 0.00 0.00 175.52 176.53 1jgt h ALA 332 N 0.90 0.89 0.23 6.16 0.00 -0.65 -2.66 119.26 124.14 1jgt h ALA 332 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jgt h ALA 332 Cb 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jgt h ALA 332 CO 0.02 0.43 -0.11 1.25 0.00 0.00 0.00 179.25 180.84 1jgt h LEU 333 N 0.96 -0.26 -0.85 0.00 5.85 -0.65 -1.09 115.31 119.26 1jgt h LEU 333 Ca 0.24 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1jgt h LEU 333 Cb 0.08 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1jgt h LEU 333 CO -0.03 -0.10 0.52 1.88 -0.34 0.00 0.00 178.44 180.36 1jgt h TYR 334 N -0.40 0.96 0.00 1.25 0.05 -1.27 -1.06 116.97 116.51 1jgt h TYR 334 Ca -0.03 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1jgt h TYR 334 Cb 0.30 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1jgt h TYR 334 CO -0.03 0.47 -0.33 0.00 -1.05 0.00 0.00 178.16 177.21 1jgt h ARG 335 N 0.94 0.00 0.00 4.88 3.08 -1.38 -3.03 114.38 118.88 1jgt h ARG 335 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1jgt h ARG 335 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jgt h ARG 335 CO -0.18 0.33 -0.42 0.00 -1.07 0.00 0.00 179.97 178.63 1jgt n ALA 336 N -2.30 2.74 -1.77 0.04 0.00 -0.42 -4.89 120.51 113.90 1jgt n ALA 336 Ca -0.01 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1jgt n ALA 336 Cb 0.46 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1jgt n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jgt n LEU 337 N -2.14 4.68 -4.69 0.00 4.77 -0.63 -5.00 117.00 114.00 1jgt n LEU 337 Ca 0.04 1.20 -0.23 0.00 -0.03 0.00 0.00 56.01 56.99 1jgt n LEU 337 Cb 0.43 -1.62 -0.06 0.00 -2.33 0.00 0.00 43.42 39.84 1jgt n LEU 337 CO 0.34 0.18 -0.28 -1.81 -1.33 0.00 0.00 177.39 174.49 1jgt s ASP 338 N 0.09 4.82 0.00 -1.43 1.01 -1.26 -5.04 116.67 114.86 1jgt s ASP 338 Ca 0.57 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1jgt s ASP 338 Cb -0.48 -1.00 0.00 0.00 1.01 0.00 0.00 42.92 42.45 1jgt s ASP 338 CO 0.59 -0.00 0.00 0.61 0.21 0.00 0.00 175.17 176.57 1jgt n GLY 339 N -0.93 -1.73 3.73 0.21 0.00 -1.26 -5.01 105.19 100.21 1jgt n GLY 339 Ca -0.07 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1jgt n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgt s PRO 340 N 0.00 0.96 0.31 1.61 0.04 -1.26 -4.98 135.00 131.68 1jgt s PRO 340 Ca 0.00 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 1jgt s PRO 340 Cb 0.00 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 1jgt s PRO 340 CO 0.00 -2.37 1.48 -1.21 0.04 0.00 0.00 177.00 174.94 1jgt s GLU 341 N -5.08 4.20 0.28 4.56 2.02 -1.26 -5.01 118.70 118.41 1jgt s GLU 341 Ca 0.64 2.44 0.12 0.00 0.02 0.00 0.00 54.97 58.19 1jgt s GLU 341 Cb -0.17 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1jgt s GLU 341 CO 0.56 -0.48 -0.19 1.03 0.02 0.00 0.00 175.26 176.19 1jgt s ARG 342 N -1.05 1.68 -0.32 1.61 1.81 -1.26 -5.02 118.95 116.40 1jgt s ARG 342 Ca 0.57 -1.78 -0.14 0.00 -1.72 0.00 0.00 55.73 52.67 1jgt s ARG 342 Cb -0.45 -1.75 -0.02 0.00 -0.45 0.00 0.00 34.95 32.28 1jgt s ARG 342 CO 0.51 0.32 0.30 0.50 -0.68 0.00 0.00 175.30 176.25 1jgt s ARG 343 N -3.52 3.68 -0.08 3.54 3.52 -1.26 -1.46 118.95 123.37 1jgt s ARG 343 Ca 0.30 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1jgt s ARG 343 Cb -0.05 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1jgt s ARG 343 CO 0.15 -0.41 -0.16 0.42 -0.81 0.00 0.00 175.30 174.48 1jgt s ILE 344 N 1.91 2.82 -0.06 4.11 1.01 0.27 -2.17 121.20 129.10 1jgt s ILE 344 Ca 0.10 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1jgt s ILE 344 Cb -0.17 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1jgt s ILE 344 CO 0.11 0.57 -0.10 -0.76 0.00 0.00 0.00 174.94 174.76 1jgt s LEU 345 N -0.26 3.00 0.30 2.97 1.02 -0.39 -1.37 118.68 123.95 1jgt s LEU 345 Ca 0.01 -0.10 0.06 0.00 0.02 0.00 0.00 54.13 54.13 1jgt s LEU 345 Cb -0.13 -1.64 -0.06 0.00 0.02 0.00 0.00 46.19 44.38 1jgt s LEU 345 CO 0.03 0.35 -0.04 0.42 0.02 0.00 0.00 176.35 177.13 1jgt s THR 346 N -0.79 1.62 -0.28 5.49 -4.23 -1.12 -2.68 115.64 113.65 1jgt s THR 346 Ca 0.12 -2.10 0.15 0.00 -1.18 0.00 0.00 61.69 58.68 1jgt s THR 346 Cb -0.11 -2.54 0.69 0.00 1.34 0.00 0.00 72.50 71.88 1jgt s THR 346 CO 0.01 -0.23 1.60 0.61 -0.54 0.00 0.00 174.62 176.08 1jgt n GLY 347 N -0.63 3.41 3.77 3.99 0.00 -1.26 -4.08 105.19 110.39 1jgt n GLY 347 Ca -0.05 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1jgt n GLY 347 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jgt s TYR 348 N -2.71 2.51 0.00 1.61 5.04 -1.26 -3.48 117.35 119.06 1jgt s TYR 348 Ca 0.49 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 1jgt s TYR 348 Cb 0.38 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.77 1jgt s TYR 348 CO 0.14 -2.86 0.00 0.41 -1.34 0.00 0.00 175.55 171.89 1jgt n GLY 349 N 0.57 1.80 0.29 8.97 0.00 -1.26 -4.49 105.19 111.07 1jgt n GLY 349 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1jgt n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgt h ALA 350 N 0.00 1.78 0.00 4.61 0.00 -1.90 -2.44 119.26 121.31 1jgt h ALA 350 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jgt h ALA 350 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1jgt h ALA 350 CO 0.00 0.20 -0.10 -0.44 0.00 0.00 0.00 179.25 178.91 1jgt h ASP 351 N 0.37 0.00 0.40 0.00 5.19 -1.91 -2.89 116.42 117.58 1jgt h ASP 351 Ca 0.10 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1jgt h ASP 351 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1jgt h ASP 351 CO -0.02 0.10 -0.19 0.40 -3.12 0.00 0.00 179.24 176.40 1jgt h ILE 352 N 0.00 0.00 0.00 0.35 2.04 -1.84 0.24 117.51 118.30 1jgt h ILE 352 Ca -0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1jgt h ILE 352 Cb 0.46 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1jgt h ILE 352 CO 0.01 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.59 1jgt h PRO 353 N -0.84 0.00 -0.07 2.37 0.13 -1.70 -2.95 132.00 128.94 1jgt h PRO 353 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1jgt h PRO 353 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1jgt h PRO 353 CO 0.09 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.27 1jgt n LEU 354 N -3.31 2.43 -3.57 1.56 4.77 -1.09 -4.47 117.00 113.31 1jgt n LEU 354 Ca -0.00 -0.85 -0.20 0.00 -0.03 0.00 0.00 56.01 54.93 1jgt n LEU 354 Cb 0.35 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1jgt n LEU 354 CO 0.30 0.42 0.08 0.61 -1.33 0.00 0.00 177.39 177.47 1jgt n GLY 355 N 1.29 -0.37 0.36 -0.72 0.00 -0.08 -4.36 105.19 101.31 1jgt n GLY 355 Ca 0.16 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.50 1jgt n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgt h GLY 356 N -2.01 0.01 1.28 -0.02 0.00 -0.90 -1.18 103.07 100.26 1jgt h GLY 356 Ca -0.59 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1jgt h GLY 356 CO 0.54 0.00 -0.09 1.03 0.00 0.00 0.00 176.54 178.02 1jgt n MET 357 N -4.40 0.44 -2.17 4.80 2.81 -1.26 -4.87 117.12 112.47 1jgt n MET 357 Ca 0.08 -0.11 -0.42 0.00 -1.81 0.00 0.00 57.70 55.44 1jgt n MET 357 Cb 0.53 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.51 1jgt n MET 357 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1jgt s HIS 358 N -2.63 2.86 -0.99 2.03 5.04 -0.45 -4.92 115.29 116.23 1jgt s HIS 358 Ca 0.25 0.77 0.10 0.00 -1.54 0.00 0.00 55.06 54.64 1jgt s HIS 358 Cb 0.20 -3.71 0.19 0.00 0.04 0.00 0.00 32.58 29.30 1jgt s HIS 358 CO 0.50 -2.63 1.05 0.54 -2.34 0.00 0.00 174.74 171.86 1jgt n ARG 359 N 5.16 1.85 -4.38 2.88 1.74 -1.26 -4.87 116.66 117.77 1jgt n ARG 359 Ca 0.13 -1.62 -0.24 0.00 -0.77 0.00 0.00 57.85 55.36 1jgt n ARG 359 Cb 0.43 -1.22 -0.09 0.00 -1.02 0.00 0.00 32.46 30.57 1jgt n ARG 359 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jgt s GLU 360 N -0.93 1.98 0.34 5.56 8.01 -1.26 -5.02 118.70 127.38 1jgt s GLU 360 Ca 0.17 -1.58 0.18 0.00 0.01 0.00 0.00 54.97 53.75 1jgt s GLU 360 Cb 0.10 -1.97 0.23 0.00 -4.31 0.00 0.00 34.13 28.18 1jgt s GLU 360 CO 0.13 0.35 1.53 -0.44 0.01 0.00 0.00 175.26 176.84 1jgt h ASP 361 N 2.13 0.00 -3.00 -0.19 5.19 -1.97 -3.44 116.42 115.15 1jgt h ASP 361 Ca -0.42 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.46 1jgt h ASP 361 Cb 1.25 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.78 1jgt h ASP 361 CO 0.60 0.34 0.73 -0.13 -3.12 0.00 0.00 179.24 177.66 1jgt s ARG 362 N -3.10 4.32 0.08 3.56 1.81 -1.26 -4.96 118.95 119.40 1jgt s ARG 362 Ca 0.04 2.07 0.12 0.00 -1.72 0.00 0.00 55.73 56.24 1jgt s ARG 362 Cb 0.07 -3.26 -0.16 0.00 -0.45 0.00 0.00 34.95 31.14 1jgt s ARG 362 CO 0.71 -0.44 1.03 -0.07 -0.68 0.00 0.00 175.30 175.85 1jgt h LEU 363 N 6.88 0.00 -0.76 2.53 3.38 -1.97 -3.41 115.31 121.96 1jgt h LEU 363 Ca -0.42 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.68 1jgt h LEU 363 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 1jgt h LEU 363 CO 0.87 0.85 -0.35 -0.65 0.09 0.00 0.00 178.44 179.25 1jgt h PRO 364 N 0.00 -0.09 0.00 1.13 0.11 -1.99 0.29 132.00 131.45 1jgt h PRO 364 Ca -0.12 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1jgt h PRO 364 Cb 1.76 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.89 1jgt h PRO 364 CO 0.09 -0.06 -0.03 0.00 -0.21 0.00 0.00 178.00 177.79 1jgt h ALA 365 N 1.20 1.53 -0.21 -0.75 0.00 -2.00 -2.36 119.26 116.67 1jgt h ALA 365 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1jgt h ALA 365 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jgt h ALA 365 CO -0.81 0.04 0.02 1.25 0.00 0.00 0.00 179.25 179.75 1jgt h LEU 366 N 0.00 0.34 -0.91 0.00 6.46 -1.18 -2.23 115.31 117.79 1jgt h LEU 366 Ca -0.00 -0.28 -0.11 0.00 -0.12 0.00 0.00 57.88 57.36 1jgt h LEU 366 Cb 0.08 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1jgt h LEU 366 CO 0.00 0.54 -0.55 0.44 -0.62 0.00 0.00 178.44 178.26 1jgt h ASP 367 N 0.14 0.00 -0.23 1.25 3.32 -1.38 -1.66 116.42 117.86 1jgt h ASP 367 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1jgt h ASP 367 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jgt h ASP 367 CO 0.01 0.55 0.04 0.74 -1.72 0.00 0.00 179.24 178.85 1jgt h THR 368 N 0.00 1.23 -0.22 0.35 2.02 -1.28 -1.34 112.91 113.66 1jgt h THR 368 Ca -0.01 -0.76 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 1jgt h THR 368 Cb 0.97 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1jgt h THR 368 CO 0.07 0.24 -0.46 0.58 0.37 0.00 0.00 175.52 176.32 1jgt h VAL 369 N 0.19 1.31 0.15 3.16 2.07 -1.37 -2.56 116.25 119.19 1jgt h VAL 369 Ca 0.07 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1jgt h VAL 369 Cb 0.33 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1jgt h VAL 369 CO 0.00 0.52 -0.07 0.25 0.02 0.00 0.00 177.57 178.30 1jgt h LEU 370 N 0.46 -0.17 -1.20 2.57 5.85 -1.17 0.64 115.31 122.28 1jgt h LEU 370 Ca 0.03 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jgt h LEU 370 Cb 0.98 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1jgt h LEU 370 CO 0.09 -0.02 0.36 0.00 -0.34 0.00 0.00 178.44 178.54 1jgt h ALA 371 N 0.52 1.39 -0.15 1.25 0.00 -1.26 -0.59 119.26 120.42 1jgt h ALA 371 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jgt h ALA 371 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jgt h ALA 371 CO 0.03 0.50 -0.08 1.25 0.00 0.00 0.00 179.25 180.95 1jgt h HIS 372 N 0.92 0.38 -0.71 0.00 -0.00 -1.30 -2.16 115.15 112.27 1jgt h HIS 372 Ca 0.24 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1jgt h HIS 372 Cb 0.02 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.31 1jgt h HIS 372 CO 0.01 0.65 0.46 -0.44 -0.00 0.00 0.00 177.93 178.61 1jgt h ASP 373 N -0.01 0.79 0.95 3.26 3.45 -0.54 -2.03 116.42 122.29 1jgt h ASP 373 Ca 0.03 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1jgt h ASP 373 Cb 0.56 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1jgt h ASP 373 CO 0.02 0.56 -0.09 0.24 -1.57 0.00 0.00 179.24 178.41 1jgt h MET 374 N 0.93 0.00 -0.01 3.56 2.86 -1.06 -2.52 114.93 118.68 1jgt h MET 374 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1jgt h MET 374 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1jgt h MET 374 CO -0.08 0.09 -0.18 0.00 1.06 0.00 0.00 176.91 177.81 1jgt n ALA 375 N -2.15 2.91 -0.62 6.32 0.00 -0.81 -4.38 120.51 121.78 1jgt n ALA 375 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1jgt n ALA 375 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1jgt n ALA 375 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jgt n THR 376 N -0.05 0.44 0.13 0.00 -2.24 -0.90 -4.83 114.28 106.84 1jgt n THR 376 Ca 0.14 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 1jgt n THR 376 Cb 0.40 0.76 0.15 0.00 -2.10 0.00 0.00 70.33 69.55 1jgt n THR 376 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1jgt h PHE 377 N 0.00 0.00 -2.54 4.78 -0.00 -1.67 -3.45 116.94 114.07 1jgt h PHE 377 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.44 1jgt h PHE 377 Cb 0.81 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.78 1jgt h PHE 377 CO 0.00 0.64 1.11 0.34 -0.00 0.00 0.00 178.31 180.40 1jgt s ASP 378 N -6.81 6.53 0.00 -0.68 3.68 -1.26 -2.19 116.67 115.94 1jgt s ASP 378 Ca -0.01 2.56 0.00 0.00 2.13 0.00 0.00 52.55 57.23 1jgt s ASP 378 Cb 0.12 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 1jgt s ASP 378 CO 0.76 -0.97 0.00 0.61 0.13 0.00 0.00 175.17 175.70 1jgt n GLY 379 N 4.25 2.16 0.14 2.66 0.00 -1.26 -4.94 105.19 108.19 1jgt n GLY 379 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1jgt n GLY 379 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jgt h LEU 380 N 0.00 0.00 2.25 0.99 3.38 -1.74 -3.47 115.31 116.72 1jgt h LEU 380 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1jgt h LEU 380 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1jgt h LEU 380 CO 0.00 0.60 -0.41 0.59 0.09 0.00 0.00 178.44 179.31 1jgt n ASN 381 N -3.45 -4.92 0.28 -0.43 3.02 -1.26 -4.73 115.26 103.77 1jgt n ASN 381 Ca 0.00 0.18 0.19 0.00 -0.03 0.00 0.00 54.58 54.92 1jgt n ASN 381 Cb 0.69 -4.22 0.88 0.00 -0.61 0.00 0.00 39.78 36.53 1jgt n ASN 381 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1jgt h GLU 382 N 0.00 0.00 -0.19 3.52 4.11 -1.91 -2.71 114.58 117.39 1jgt h GLU 382 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1jgt h GLU 382 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jgt h GLU 382 CO 0.50 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 178.25 1jgt n MET 383 N -2.96 2.52 -1.75 1.06 2.81 -1.26 -5.03 117.12 112.51 1jgt n MET 383 Ca -0.01 -2.68 -0.42 0.00 -1.81 0.00 0.00 57.70 52.78 1jgt n MET 383 Cb 0.19 -1.69 -0.01 0.00 -0.71 0.00 0.00 33.22 30.99 1jgt n MET 383 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jgt n SER 384 N -0.66 3.67 0.26 7.83 2.88 -1.02 -4.80 113.62 121.77 1jgt n SER 384 Ca 0.19 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 59.03 1jgt n SER 384 Cb 0.78 -1.58 0.69 0.00 -0.75 0.00 0.00 64.21 63.35 1jgt n SER 384 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jgt h PRO 385 N 3.90 0.00 -0.24 -1.46 0.13 -1.90 -2.89 132.00 129.54 1jgt h PRO 385 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1jgt h PRO 385 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1jgt h PRO 385 CO 0.72 0.13 0.20 0.28 -0.23 0.00 0.00 178.00 179.11 1jgt h VAL 386 N 0.00 0.66 -0.29 1.56 2.07 -1.90 0.91 116.25 119.27 1jgt h VAL 386 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1jgt h VAL 386 Cb 0.35 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1jgt h VAL 386 CO 0.02 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.74 1jgt h LEU 387 N 0.00 0.10 0.00 2.57 3.38 -1.75 -1.72 115.31 117.89 1jgt h LEU 387 Ca 0.11 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 1jgt h LEU 387 Cb 0.51 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1jgt h LEU 387 CO -0.00 0.07 -1.97 -1.54 0.09 0.00 0.00 178.44 175.09 1jgt n SER 388 N -4.48 2.02 0.18 -0.43 3.41 -0.14 -4.49 113.62 109.69 1jgt n SER 388 Ca 0.03 -0.04 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 1jgt n SER 388 Cb 0.28 0.38 0.58 0.00 -0.26 0.00 0.00 64.21 65.19 1jgt n SER 388 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1jgt h THR 389 N 0.00 0.00 0.00 6.66 1.35 0.56 -0.67 112.91 120.82 1jgt h THR 389 Ca -0.38 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1jgt h THR 389 Cb 1.75 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1jgt h THR 389 CO -0.01 0.00 0.00 0.17 -0.25 0.00 0.00 175.52 175.43 1jgt h LEU 390 N 0.00 0.00 -3.07 3.87 8.10 -1.49 0.11 115.31 122.83 1jgt h LEU 390 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jgt h LEU 390 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1jgt h LEU 390 CO 0.00 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.33 1jgt n ALA 391 N -2.04 2.44 -0.25 0.17 0.00 -0.30 -4.29 120.51 116.24 1jgt n ALA 391 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1jgt n ALA 391 Cb 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1jgt n ALA 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgt n GLY 392 N -0.60 1.91 3.87 0.00 0.00 0.23 -4.96 105.19 105.64 1jgt n GLY 392 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1jgt n GLY 392 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jgt s HIS 393 N -3.05 3.60 -0.19 1.61 3.76 -0.93 -4.52 115.29 115.58 1jgt s HIS 393 Ca 0.00 0.70 -0.10 0.00 -0.15 0.00 0.00 55.06 55.51 1jgt s HIS 393 Cb 0.00 -2.09 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 1jgt s HIS 393 CO 0.00 0.59 0.15 -0.46 -0.85 0.00 0.00 174.74 174.18 1jgt s TRP 394 N -1.29 3.43 0.14 1.40 -0.11 -0.54 -1.21 118.94 120.77 1jgt s TRP 394 Ca 0.28 0.38 0.09 0.00 1.22 0.00 0.00 56.10 58.08 1jgt s TRP 394 Cb -0.14 -2.17 -0.04 0.00 -1.50 0.00 0.00 33.47 29.62 1jgt s TRP 394 CO 0.16 0.32 -0.18 0.95 -4.62 0.00 0.00 176.95 173.57 1jgt s THR 395 N 0.26 2.79 -0.06 5.86 -4.23 -1.26 0.97 115.64 119.98 1jgt s THR 395 Ca 0.10 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1jgt s THR 395 Cb -0.11 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1jgt s THR 395 CO -0.01 0.04 0.23 0.28 -0.54 0.00 0.00 174.62 174.63 1jgt s THR 396 N -1.28 0.03 -0.50 3.99 -1.32 -0.47 -4.88 115.64 111.21 1jgt s THR 396 Ca 0.19 -0.24 0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1jgt s THR 396 Cb -0.10 -0.41 0.13 0.00 -1.51 0.00 0.00 72.50 70.61 1jgt s THR 396 CO 0.10 -0.13 0.27 -1.00 -2.21 0.00 0.00 174.62 171.65 1jgt s HIS 397 N -0.47 3.44 0.29 9.09 3.76 -1.26 -2.80 115.29 127.33 1jgt s HIS 397 Ca -0.06 -2.86 0.01 0.00 -0.15 0.00 0.00 55.06 52.00 1jgt s HIS 397 Cb -0.04 -3.04 0.69 0.00 1.11 0.00 0.00 32.58 31.31 1jgt s HIS 397 CO 0.01 -0.85 1.62 -1.35 -0.85 0.00 0.00 174.74 173.31 1jgt h PRO 398 N 7.15 0.11 0.00 8.40 0.11 -1.88 -1.17 132.00 144.71 1jgt h PRO 398 Ca -0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1jgt h PRO 398 Cb 0.96 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1jgt h PRO 398 CO 0.67 0.07 -0.05 1.88 -0.21 0.00 0.00 178.00 180.36 1jgt h TYR 399 N 0.11 0.00 -0.58 0.65 -1.99 -1.83 -1.80 116.97 111.52 1jgt h TYR 399 Ca 0.55 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.20 1jgt h TYR 399 Cb 1.11 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.80 1jgt h TYR 399 CO -0.37 0.05 0.09 0.91 -0.00 0.00 0.00 178.16 178.84 1jgt n TRP 400 N -3.66 2.04 -2.02 4.88 7.02 -0.45 -3.66 117.44 121.60 1jgt n TRP 400 Ca -0.02 -0.94 -0.39 0.00 -1.02 0.00 0.00 57.50 55.13 1jgt n TRP 400 Cb 0.15 -0.55 0.00 0.00 -2.42 0.00 0.00 31.31 28.49 1jgt n TRP 400 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1jgt s ASP 401 N -1.08 6.16 0.23 -0.99 2.15 -0.68 -4.78 116.67 117.68 1jgt s ASP 401 Ca 0.53 2.66 -0.07 0.00 0.43 0.00 0.00 52.55 56.11 1jgt s ASP 401 Cb 0.42 -2.64 0.33 0.00 -0.30 0.00 0.00 42.92 40.73 1jgt s ASP 401 CO 0.14 -0.96 1.80 -0.09 -0.17 0.00 0.00 175.17 175.89 1jgt h ARG 402 N 2.47 0.66 -0.14 4.34 2.43 -1.90 0.28 114.38 122.52 1jgt h ARG 402 Ca -0.50 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.57 1jgt h ARG 402 Cb 1.25 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1jgt h ARG 402 CO 0.62 0.43 -0.15 0.93 -1.51 0.00 0.00 179.97 180.29 1jgt h GLU 403 N 0.68 0.35 -0.41 0.20 3.07 -1.96 -0.99 114.58 115.52 1jgt h GLU 403 Ca 0.35 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1jgt h GLU 403 Cb 0.31 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1jgt h GLU 403 CO -0.24 0.75 0.18 0.28 -1.40 0.00 0.00 179.01 178.58 1jgt h VAL 404 N -0.02 1.19 0.03 3.13 2.07 -1.81 -2.22 116.25 118.62 1jgt h VAL 404 Ca 0.02 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jgt h VAL 404 Cb 0.68 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1jgt h VAL 404 CO 0.04 0.21 -0.02 0.25 0.02 0.00 0.00 177.57 178.06 1jgt h LEU 405 N 0.53 -0.06 -0.68 2.57 5.85 -0.42 -0.64 115.31 122.45 1jgt h LEU 405 Ca 0.14 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1jgt h LEU 405 Cb 0.15 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1jgt h LEU 405 CO -0.01 -0.04 0.31 0.44 -0.34 0.00 0.00 178.44 178.80 1jgt h ASP 406 N -0.06 0.37 0.30 1.25 3.45 -1.10 -0.73 116.42 119.91 1jgt h ASP 406 Ca -0.00 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 1jgt h ASP 406 Cb 0.05 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1jgt h ASP 406 CO -0.00 0.21 -0.14 0.25 -1.57 0.00 0.00 179.24 177.98 1jgt h LEU 407 N 0.53 -0.34 -0.61 1.55 5.85 -1.06 -2.25 115.31 118.98 1jgt h LEU 407 Ca 0.34 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1jgt h LEU 407 Cb 0.40 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1jgt h LEU 407 CO -0.29 -0.07 0.37 -0.07 -0.34 0.00 0.00 178.44 178.04 1jgt h LEU 408 N -0.62 0.73 -0.79 2.25 3.38 -0.91 -2.53 115.31 116.83 1jgt h LEU 408 Ca -0.04 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jgt h LEU 408 Cb 0.44 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1jgt h LEU 408 CO 0.07 0.57 0.52 0.58 0.09 0.00 0.00 178.44 180.27 1jgt h VAL 409 N 0.82 1.20 0.00 1.22 2.07 -1.17 -3.07 116.25 117.33 1jgt h VAL 409 Ca 0.22 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1jgt h VAL 409 Cb -0.03 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1jgt h VAL 409 CO -0.04 0.20 -0.33 0.77 0.02 0.00 0.00 177.57 178.18 1jgt h SER 410 N 1.07 0.00 -2.93 0.57 4.64 -0.99 -3.46 113.55 112.46 1jgt h SER 410 Ca 0.29 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.05 1jgt h SER 410 Cb -0.12 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.05 1jgt h SER 410 CO -0.06 0.33 0.77 0.18 -0.87 0.00 0.00 176.83 177.17 1jgt n LEU 411 N -4.04 3.73 -4.75 5.97 4.77 -1.04 0.12 117.00 121.76 1jgt n LEU 411 Ca -0.02 1.14 -0.38 0.00 -0.03 0.00 0.00 56.01 56.72 1jgt n LEU 411 Cb 0.38 -1.51 0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1jgt n LEU 411 CO 0.38 -0.15 0.97 -1.83 -1.33 0.00 0.00 177.39 175.42 1jgt s GLU 412 N -0.30 3.27 0.48 3.23 4.04 -0.68 -4.71 118.70 124.02 1jgt s GLU 412 Ca 0.67 2.18 0.31 0.00 0.04 0.00 0.00 54.97 58.17 1jgt s GLU 412 Cb -0.57 -2.30 1.41 0.00 0.02 0.00 0.00 34.13 32.68 1jgt s GLU 412 CO 0.48 -1.07 1.75 0.00 -1.84 0.00 0.00 175.26 174.58 1jgt h ALA 413 N 1.60 2.84 0.00 -0.84 0.00 -1.91 -0.03 119.26 120.92 1jgt h ALA 413 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jgt h ALA 413 Cb 1.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1jgt h ALA 413 CO 0.58 -1.25 0.00 0.41 0.00 0.00 0.00 179.25 178.98 1jgt n GLY 414 N -1.65 -0.97 0.01 0.00 0.00 -1.26 -1.27 105.19 100.04 1jgt n GLY 414 Ca 0.28 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.45 1jgt n GLY 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgt n LEU 415 N -1.83 0.73 -0.07 0.99 4.77 -0.02 -4.15 117.00 117.42 1jgt n LEU 415 Ca 0.02 -0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.60 1jgt n LEU 415 Cb 0.14 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 1jgt n LEU 415 CO 0.12 0.16 -1.03 0.29 -1.33 0.00 0.00 177.39 175.60 1jgt n LYS 416 N -1.64 0.69 -4.02 3.23 5.02 -0.39 -1.67 118.16 119.37 1jgt n LYS 416 Ca 0.04 0.18 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 1jgt n LYS 416 Cb 0.37 -1.62 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 1jgt n LYS 416 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jgt s ARG 417 N -2.54 1.64 -0.04 1.97 6.06 -0.59 -0.10 118.95 125.35 1jgt s ARG 417 Ca -0.23 -1.73 -0.09 0.00 -2.50 0.00 0.00 55.73 51.19 1jgt s ARG 417 Cb 0.08 -3.10 0.01 0.00 0.06 0.00 0.00 34.95 32.00 1jgt s ARG 417 CO 0.72 -0.85 0.21 0.50 -2.50 0.00 0.00 175.30 173.38 1jgt s ARG 418 N 0.97 0.40 -1.73 5.12 3.52 -0.98 -4.52 118.95 121.73 1jgt s ARG 418 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1jgt s ARG 418 Cb -0.19 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 1jgt s ARG 418 CO -0.08 -0.08 0.00 0.72 -0.81 0.00 0.00 175.30 175.05 1jgt n HIS 419 N 2.18 -0.87 -1.05 5.12 8.25 -1.26 -0.89 115.22 126.70 1jgt n HIS 419 Ca -0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.27 1jgt n HIS 419 Cb 0.57 -3.64 -0.01 0.00 1.12 0.00 0.00 29.99 28.03 1jgt n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgt n GLY 420 N -0.84 0.48 3.46 -1.41 0.00 -1.26 -5.02 105.19 100.60 1jgt n GLY 420 Ca -0.22 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1jgt n GLY 420 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jgt s ARG 421 N -1.09 2.19 0.38 1.61 0.52 -0.07 -5.06 118.95 117.43 1jgt s ARG 421 Ca 0.00 -0.91 -0.23 0.00 -0.52 0.00 0.00 55.73 54.07 1jgt s ARG 421 Cb 0.00 -2.24 -0.10 0.00 0.52 0.00 0.00 34.95 33.12 1jgt s ARG 421 CO 0.00 0.56 0.95 0.16 0.02 0.00 0.00 175.30 176.99 1jgt s ASP 422 N -1.27 7.11 -1.62 0.23 1.47 -1.26 -2.31 116.67 119.01 1jgt s ASP 422 Ca 0.14 1.76 -0.16 0.00 1.18 0.00 0.00 52.55 55.47 1jgt s ASP 422 Cb -0.11 -2.56 0.12 0.00 -0.34 0.00 0.00 42.92 40.04 1jgt s ASP 422 CO 0.04 -0.24 0.89 0.29 0.68 0.00 0.00 175.17 176.83 1jgt n LYS 423 N -0.11 -4.33 -0.16 2.11 5.02 0.86 -4.86 118.16 116.69 1jgt n LYS 423 Ca 0.05 0.48 -0.09 0.00 -2.02 0.00 0.00 58.31 56.73 1jgt n LYS 423 Cb 0.52 -5.29 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 1jgt n LYS 423 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1jgt h TRP 424 N -1.79 -1.16 -0.53 2.13 7.01 -1.19 -2.12 115.95 118.30 1jgt h TRP 424 Ca -0.59 0.07 0.11 0.00 2.11 0.00 0.00 58.89 60.59 1jgt h TRP 424 Cb 1.38 0.58 -0.03 0.00 -2.10 0.00 0.00 29.16 28.99 1jgt h TRP 424 CO 0.60 -0.42 0.36 -0.24 -2.79 0.00 0.00 178.44 175.95 1jgt h VAL 425 N -0.27 0.85 -0.17 2.65 3.04 -1.58 -0.08 116.25 120.68 1jgt h VAL 425 Ca 0.17 -0.08 -0.21 0.00 -1.01 0.00 0.00 66.70 65.57 1jgt h VAL 425 Cb 0.57 0.59 0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1jgt h VAL 425 CO -0.61 0.04 -0.69 0.25 -1.01 0.00 0.00 177.57 175.55 1jgt h LEU 426 N 0.24 0.91 -0.28 3.16 5.85 -1.69 -0.79 115.31 122.71 1jgt h LEU 426 Ca 0.25 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1jgt h LEU 426 Cb 0.65 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1jgt h LEU 426 CO -0.05 1.37 0.13 0.03 -0.34 0.00 0.00 178.44 179.58 1jgt h ARG 427 N 0.51 0.41 -0.62 1.25 3.08 -1.02 -2.37 114.38 115.61 1jgt h ARG 427 Ca -0.04 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1jgt h ARG 427 Cb 1.32 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1jgt h ARG 427 CO 0.15 0.41 0.21 0.00 -1.07 0.00 0.00 179.97 179.66 1jgt h ALA 428 N 0.98 1.21 -0.02 0.04 0.00 -1.04 -1.72 119.26 118.72 1jgt h ALA 428 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jgt h ALA 428 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jgt h ALA 428 CO -0.01 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 1jgt h ALA 429 N 1.34 1.69 -0.26 0.00 0.00 -0.82 -2.86 119.26 118.35 1jgt h ALA 429 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jgt h ALA 429 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jgt h ALA 429 CO -0.01 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.14 1jgt n MET 430 N -4.33 2.13 -0.31 0.00 2.81 -0.92 -4.65 117.12 111.85 1jgt n MET 430 Ca -0.02 -1.98 0.12 0.00 -1.81 0.00 0.00 57.70 54.01 1jgt n MET 430 Cb 0.24 -1.41 0.29 0.00 -0.71 0.00 0.00 33.22 31.63 1jgt n MET 430 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jgt h ALA 431 N 3.69 1.43 -0.31 3.04 0.00 -1.08 -1.03 119.26 125.00 1jgt h ALA 431 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jgt h ALA 431 Cb 0.85 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jgt h ALA 431 CO 0.00 -0.26 0.00 -0.40 0.00 0.00 0.00 179.25 178.59 1jgt n ASP 432 N -4.97 1.99 0.00 0.00 3.85 -1.26 -3.85 116.55 112.30 1jgt n ASP 432 Ca 0.21 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 52.22 1jgt n ASP 432 Cb 0.60 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 40.09 1jgt n ASP 432 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jgt n ALA 433 N 0.43 1.57 -2.18 2.12 0.00 -0.42 -5.08 120.51 116.95 1jgt n ALA 433 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1jgt n ALA 433 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.69 1jgt n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jgt s LEU 434 N -0.63 2.41 0.42 0.00 1.43 -1.01 -4.91 118.68 116.39 1jgt s LEU 434 Ca 0.00 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 1jgt s LEU 434 Cb 0.00 -0.04 -0.08 0.00 0.03 0.00 0.00 46.19 46.10 1jgt s LEU 434 CO 0.00 -0.50 1.30 -2.16 0.23 0.00 0.00 176.35 175.22 1jgt s PRO 435 N -3.86 3.89 0.28 1.29 0.04 -1.26 -4.86 135.00 130.51 1jgt s PRO 435 Ca 0.14 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1jgt s PRO 435 Cb 0.06 -2.69 0.65 0.00 0.04 0.00 0.00 34.50 32.56 1jgt s PRO 435 CO -0.03 -0.55 1.70 0.00 0.04 0.00 0.00 177.00 178.15 1jgt h ALA 436 N 2.54 1.32 -0.97 8.56 0.00 -1.99 -0.74 119.26 127.98 1jgt h ALA 436 Ca -0.50 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1jgt h ALA 436 Cb 1.25 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1jgt h ALA 436 CO 0.62 -0.31 0.64 1.05 0.00 0.00 0.00 179.25 181.25 1jgt h GLU 437 N 0.40 1.24 0.22 0.00 4.11 -1.98 -1.21 114.58 117.36 1jgt h GLU 437 Ca 0.52 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.87 1jgt h GLU 437 Cb 0.95 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1jgt h GLU 437 CO -0.51 0.82 -0.10 1.15 0.07 0.00 0.00 179.01 180.44 1jgt h THR 438 N 1.28 0.85 0.00 -1.06 2.02 -1.50 -0.81 112.91 113.69 1jgt h THR 438 Ca 0.37 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1jgt h THR 438 Cb -0.08 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1jgt h THR 438 CO -0.10 0.09 -0.22 -0.37 0.37 0.00 0.00 175.52 175.30 1jgt h VAL 439 N -0.50 0.60 0.00 3.16 -1.51 -1.39 -3.22 116.25 113.39 1jgt h VAL 439 Ca -0.03 -1.01 -0.17 0.00 -1.23 0.00 0.00 66.70 64.25 1jgt h VAL 439 Cb 0.38 1.67 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 1jgt h VAL 439 CO 0.05 0.21 -1.33 0.78 -1.23 0.00 0.00 177.57 176.05 1jgt h ASN 440 N 0.00 0.00 -2.51 4.19 -0.26 -1.15 -3.46 115.58 112.38 1jgt h ASN 440 Ca -0.00 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.17 1jgt h ASN 440 Cb 0.65 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 1jgt h ASN 440 CO 0.03 0.62 1.26 -0.60 -1.06 0.00 0.00 177.43 177.68 1jgt s ARG 441 N -2.89 3.59 0.96 0.81 3.52 -0.32 -4.95 118.95 119.67 1jgt s ARG 441 Ca -0.02 1.84 -0.11 0.00 -0.13 0.00 0.00 55.73 57.31 1jgt s ARG 441 Cb 0.09 -4.17 0.16 0.00 -1.56 0.00 0.00 34.95 29.47 1jgt s ARG 441 CO 0.81 -1.55 1.08 -0.35 -0.81 0.00 0.00 175.30 174.47 1jgt n PRO 442 N 8.06 -0.75 -0.07 5.12 -0.04 -1.26 -4.83 135.00 141.22 1jgt n PRO 442 Ca 0.22 -0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1jgt n PRO 442 Cb 0.45 -2.32 0.36 0.00 -0.04 0.00 0.00 33.50 31.96 1jgt n PRO 442 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1jgt h LYS 443 N -2.00 0.69 0.00 0.54 1.63 -1.91 -3.50 116.57 112.02 1jgt h LYS 443 Ca -0.46 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1jgt h LYS 443 Cb 1.28 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1jgt h LYS 443 CO 0.42 0.46 0.00 -0.11 -3.45 0.00 0.00 179.45 176.77 1jgt n LEU 444 N -4.46 0.00 -3.61 5.20 7.94 -1.26 -5.14 117.00 115.68 1jgt n LEU 444 Ca 0.05 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.89 1jgt n LEU 444 Cb 0.05 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.92 1jgt n LEU 444 CO 0.36 0.00 0.09 -0.55 -1.11 0.00 0.00 177.39 176.17 1jgt s SER 454 N -4.00 -0.50 0.28 1.96 0.15 -1.26 -5.10 113.70 105.23 1jgt s SER 454 Ca 0.00 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1jgt s SER 454 Cb 0.00 1.62 0.52 0.00 -1.71 0.00 0.00 66.02 66.45 1jgt s SER 454 CO 0.00 -0.24 1.84 0.28 1.20 0.00 0.00 173.24 176.33 1jgt h SER 455 N 8.12 0.95 -0.32 5.45 0.02 -1.99 0.48 113.55 126.26 1jgt h SER 455 Ca -0.17 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1jgt h SER 455 Cb 1.11 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1jgt h SER 455 CO 0.13 0.52 0.19 0.15 -1.14 0.00 0.00 176.83 176.68 1jgt h PHE 456 N 1.03 0.42 0.21 3.45 -0.00 -1.99 -1.31 116.94 118.75 1jgt h PHE 456 Ca 0.49 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.44 1jgt h PHE 456 Cb 0.43 -0.14 -0.00 0.00 -0.00 0.00 0.00 35.95 36.24 1jgt h PHE 456 CO -0.00 0.32 -0.13 0.77 -0.00 0.00 0.00 178.31 179.27 1jgt h SER 457 N 0.40 -0.31 -0.70 0.41 0.02 -1.61 -1.90 113.55 109.86 1jgt h SER 457 Ca 0.11 0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.28 1jgt h SER 457 Cb 0.03 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1jgt h SER 457 CO -0.02 -0.21 0.50 -0.09 -1.14 0.00 0.00 176.83 175.88 1jgt h ARG 458 N -0.33 0.02 -0.07 3.45 9.65 -0.76 -0.40 114.38 125.95 1jgt h ARG 458 Ca -0.02 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1jgt h ARG 458 Cb 0.27 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1jgt h ARG 458 CO 0.02 0.01 -0.04 1.25 2.80 0.00 0.00 179.97 184.02 1jgt h LEU 459 N 0.02 0.15 -0.58 3.80 5.85 -0.44 -2.82 115.31 121.29 1jgt h LEU 459 Ca 0.33 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 1jgt h LEU 459 Cb 1.31 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1jgt h LEU 459 CO -0.01 0.54 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.36 1jgt h LEU 460 N -0.25 0.93 -2.31 2.25 -0.00 -0.85 -2.45 115.31 112.62 1jgt h LEU 460 Ca 0.01 -0.34 -0.01 0.00 -0.00 0.00 0.00 57.88 57.55 1jgt h LEU 460 Cb 0.49 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1jgt h LEU 460 CO 0.01 1.10 -0.03 -0.07 -0.00 0.00 0.00 178.44 179.45 1jgt h LEU 461 N 0.79 0.00 -0.38 1.67 3.38 -1.16 0.15 115.31 119.75 1jgt h LEU 461 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1jgt h LEU 461 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1jgt h LEU 461 CO 0.06 0.03 -0.48 0.44 0.09 0.00 0.00 178.44 178.59 1jgt h ASP 462 N 0.00 0.00 -0.03 -0.43 3.32 -1.17 -3.07 116.42 115.04 1jgt h ASP 462 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jgt h ASP 462 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1jgt h ASP 462 CO 0.00 0.48 0.00 1.41 -1.72 0.00 0.00 179.24 179.41 1jgt n HIS 463 N -3.35 0.01 -0.72 4.55 8.25 0.37 -5.03 115.22 119.31 1jgt n HIS 463 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jgt n HIS 463 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1jgt n HIS 463 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgt n GLY 464 N 1.28 -1.59 0.00 -1.41 0.00 -0.36 -4.74 105.19 98.37 1jgt n GLY 464 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1jgt n GLY 464 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jgt n VAL 465 N 0.90 0.00 -2.40 1.61 3.14 -1.25 -4.78 118.33 115.55 1jgt n VAL 465 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 1jgt n VAL 465 Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 1jgt n VAL 465 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jgt s ALA 466 N -0.22 3.36 1.12 1.55 0.00 -1.26 -4.64 121.76 121.66 1jgt s ALA 466 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1jgt s ALA 466 Cb 0.00 -2.50 0.26 0.00 0.00 0.00 0.00 23.12 20.88 1jgt s ALA 466 CO 0.00 -0.95 1.05 -1.83 0.00 0.00 0.00 175.76 174.03 1jgt s GLU 467 N -5.03 -0.55 0.00 0.00 1.03 -1.26 -1.38 118.70 111.52 1jgt s GLU 467 Ca 0.56 0.89 0.00 0.00 0.03 0.00 0.00 54.97 56.45 1jgt s GLU 467 Cb -0.11 -1.59 0.00 0.00 -0.80 0.00 0.00 34.13 31.63 1jgt s GLU 467 CO 0.44 -3.49 0.00 -3.47 -1.33 0.00 0.00 175.26 167.41 1jgt n ASP 468 N -4.76 0.00 0.00 0.83 2.03 -1.26 -4.42 116.55 108.97 1jgt n ASP 468 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1jgt n ASP 468 Cb 0.54 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 1jgt n ASP 468 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1jgt n ARG 469 N -2.00 3.83 -0.09 -0.67 1.74 -0.48 -4.68 116.66 114.32 1jgt n ARG 469 Ca 0.00 -0.04 -0.19 0.00 -0.77 0.00 0.00 57.85 56.85 1jgt n ARG 469 Cb 0.00 -0.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.92 1jgt n ARG 469 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1jgt h VAL 470 N 0.05 1.26 -0.64 1.55 -1.51 -1.58 -2.04 116.25 113.34 1jgt h VAL 470 Ca 0.00 -2.25 0.02 0.00 -1.23 0.00 0.00 66.70 63.23 1jgt h VAL 470 Cb 0.02 2.70 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 1jgt h VAL 470 CO 0.00 0.44 0.42 -0.74 -1.23 0.00 0.00 177.57 176.47 1jgt h HIS 471 N -0.97 0.77 0.04 5.19 -0.00 -1.89 -0.30 115.15 118.00 1jgt h HIS 471 Ca -0.21 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.17 1jgt h HIS 471 Cb 1.21 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1jgt h HIS 471 CO 0.17 0.47 -0.02 0.93 -0.00 0.00 0.00 177.93 179.48 1jgt h GLU 472 N 0.82 -0.05 -0.80 5.26 3.07 -1.84 -3.02 114.58 118.03 1jgt h GLU 472 Ca 0.24 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.21 1jgt h GLU 472 Cb -0.03 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.84 1jgt h GLU 472 CO -0.06 0.45 0.52 0.00 -1.40 0.00 0.00 179.01 178.53 1jgt h ALA 473 N 0.32 1.79 -0.12 3.43 0.00 -1.00 0.46 119.26 124.14 1jgt h ALA 473 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jgt h ALA 473 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jgt h ALA 473 CO 0.01 0.04 -0.10 0.87 0.00 0.00 0.00 179.25 180.06 1jgt h LYS 474 N 0.70 0.18 0.00 0.00 1.57 -1.04 -0.88 116.57 117.10 1jgt h LYS 474 Ca 0.37 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1jgt h LYS 474 Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1jgt h LYS 474 CO -0.14 0.29 -0.63 -0.09 -0.57 0.00 0.00 179.45 178.31 1jgt h ARG 475 N 0.17 0.00 0.03 3.15 2.43 -0.78 -1.90 114.38 117.48 1jgt h ARG 475 Ca 0.04 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.99 1jgt h ARG 475 Cb 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1jgt h ARG 475 CO 0.02 0.63 -0.98 1.96 -1.51 0.00 0.00 179.97 180.09 1jgt h GLN 476 N 0.00 0.17 -0.08 0.20 4.20 -0.91 -1.59 115.11 117.10 1jgt h GLN 476 Ca -0.01 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1jgt h GLN 476 Cb 1.12 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 1jgt h GLN 476 CO 0.08 1.02 -0.10 0.28 -0.67 0.00 0.00 178.83 179.43 1jgt h VAL 477 N 0.08 1.38 -0.79 -0.54 2.07 -1.09 -1.37 116.25 115.99 1jgt h VAL 477 Ca -0.06 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1jgt h VAL 477 Cb 1.66 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 33.45 1jgt h VAL 477 CO 0.15 0.37 0.37 0.58 0.02 0.00 0.00 177.57 179.05 1jgt h VAL 478 N -0.22 1.25 -0.00 2.57 2.07 -1.41 -1.25 116.25 119.26 1jgt h VAL 478 Ca 0.01 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 1jgt h VAL 478 Cb 0.64 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1jgt h VAL 478 CO 0.02 0.31 -0.50 -0.09 0.02 0.00 0.00 177.57 177.33 1jgt h ARG 479 N 1.13 0.01 -0.13 1.57 9.65 -1.25 -2.04 114.38 123.33 1jgt h ARG 479 Ca 0.27 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 59.04 1jgt h ARG 479 Cb 0.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1jgt h ARG 479 CO -0.03 0.50 -0.32 0.93 2.80 0.00 0.00 179.97 183.85 1jgt h GLU 480 N 0.01 0.44 -0.60 0.20 4.39 -0.67 -2.25 114.58 116.11 1jgt h GLU 480 Ca -0.00 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1jgt h GLU 480 Cb 0.88 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 1jgt h GLU 480 CO 0.07 0.92 0.30 -0.07 -1.16 0.00 0.00 179.01 179.07 1jgt h LEU 481 N 0.04 0.75 -0.06 1.33 3.38 -1.17 -2.37 115.31 117.20 1jgt h LEU 481 Ca -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jgt h LEU 481 Cb 0.93 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jgt h LEU 481 CO 0.07 0.63 0.00 0.15 0.09 0.00 0.00 178.44 179.38 1jgt h PHE 482 N 0.84 0.12 0.00 1.13 3.04 -1.32 -0.42 116.94 120.32 1jgt h PHE 482 Ca 0.21 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 1jgt h PHE 482 Cb 0.07 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1jgt h PHE 482 CO 0.01 0.37 -0.01 -0.44 -2.02 0.00 0.00 178.31 176.22 1jgt h ASP 483 N -0.17 0.00 0.00 0.41 3.45 -1.13 0.14 116.42 119.12 1jgt h ASP 483 Ca 0.02 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.36 1jgt h ASP 483 Cb 0.32 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1jgt h ASP 483 CO 0.00 0.01 -0.71 -0.07 -1.57 0.00 0.00 179.24 176.90 1jgt h LEU 484 N 0.00 0.00 0.18 1.55 3.38 -1.11 -0.29 115.31 119.02 1jgt h LEU 484 Ca -0.00 -0.50 -0.31 0.00 0.09 0.00 0.00 57.88 57.16 1jgt h LEU 484 Cb 0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jgt h LEU 484 CO 0.00 1.16 -1.43 0.71 0.09 0.00 0.00 178.44 178.97 1jgt h THR 485 N -1.00 1.31 0.04 0.22 1.35 -1.00 -2.25 112.91 111.58 1jgt h THR 485 Ca -0.17 -2.84 -0.37 0.00 -0.55 0.00 0.00 66.41 62.47 1jgt h THR 485 Cb 0.98 2.94 -0.05 0.00 -1.73 0.00 0.00 68.15 70.29 1jgt h THR 485 CO -0.10 0.85 -2.17 0.52 -0.25 0.00 0.00 175.52 174.36 1jgt n VAL 486 N -3.59 1.59 0.06 6.82 0.31 0.37 -3.55 118.33 120.34 1jgt n VAL 486 Ca -0.14 -0.48 -0.11 0.00 -0.01 0.00 0.00 64.34 63.59 1jgt n VAL 486 Cb 1.06 -1.69 -0.13 0.00 -0.91 0.00 0.00 33.84 32.17 1jgt n VAL 486 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1jgt h GLY 487 N 0.74 0.13 -1.90 2.92 0.00 -1.24 -3.35 103.07 100.36 1jgt h GLY 487 Ca -0.52 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1jgt h GLY 487 CO -0.12 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1jgt n GLY 488 N 1.48 1.83 3.89 4.60 0.00 -0.12 -4.84 105.19 112.02 1jgt n GLY 488 Ca -0.07 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1jgt n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgt n GLY 489 N 1.14 -0.31 3.27 -0.02 0.00 -1.15 -4.91 105.19 103.20 1jgt n GLY 489 Ca 0.16 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1jgt n GLY 489 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jgt s ARG 490 N -6.40 3.28 0.40 1.61 3.52 -0.88 -5.01 118.95 115.46 1jgt s ARG 490 Ca 0.17 -0.69 -0.26 0.00 -0.13 0.00 0.00 55.73 54.83 1jgt s ARG 490 Cb -0.09 -2.84 -0.10 0.00 -1.56 0.00 0.00 34.95 30.35 1jgt s ARG 490 CO 0.86 -0.15 1.25 1.58 -0.81 0.00 0.00 175.30 178.03 1jgt n HIS 491 N 4.58 2.06 -0.14 5.12 -0.00 -1.26 -3.97 115.22 121.61 1jgt n HIS 491 Ca -0.19 0.52 0.14 0.00 -0.00 0.00 0.00 57.72 58.19 1jgt n HIS 491 Cb 0.51 -2.37 0.50 0.00 -0.00 0.00 0.00 29.99 28.62 1jgt n HIS 491 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1jgt h PRO 492 N 2.12 0.42 0.00 1.57 0.11 -1.94 -0.18 132.00 134.10 1jgt h PRO 492 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jgt h PRO 492 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jgt h PRO 492 CO 0.60 0.28 0.00 -1.13 -0.21 0.00 0.00 178.00 177.54 1jgt n SER 493 N -4.48 0.03 -1.00 -2.05 3.41 -1.26 -1.69 113.62 106.58 1jgt n SER 493 Ca 0.13 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1jgt n SER 493 Cb 0.46 -0.51 0.24 0.00 -0.26 0.00 0.00 64.21 64.14 1jgt n SER 493 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jgt n GLU 494 N -1.53 3.04 -4.39 4.33 1.02 -0.08 -4.94 120.64 118.09 1jgt n GLU 494 Ca 0.02 -2.46 -0.34 0.00 -0.02 0.00 0.00 57.16 54.37 1jgt n GLU 494 Cb 0.12 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 1jgt n GLU 494 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jgt s VAL 495 N -1.46 3.32 -0.83 2.62 1.01 -0.68 -4.99 120.40 119.39 1jgt s VAL 495 Ca 0.36 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 1jgt s VAL 495 Cb 0.22 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1jgt s VAL 495 CO 0.20 0.48 1.16 -0.62 0.00 0.00 0.00 175.10 176.32 1jgt s ASP 496 N 0.75 6.39 0.55 3.32 3.68 -1.26 -4.84 116.67 125.24 1jgt s ASP 496 Ca -0.04 -1.36 0.36 0.00 2.13 0.00 0.00 52.55 53.65 1jgt s ASP 496 Cb -0.15 -2.46 1.85 0.00 -1.45 0.00 0.00 42.92 40.71 1jgt s ASP 496 CO 0.02 -1.38 2.10 0.74 0.13 0.00 0.00 175.17 176.78 1jgt h THR 497 N 6.10 0.00 -0.19 1.71 2.02 -1.96 -2.00 112.91 118.59 1jgt h THR 497 Ca -0.04 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1jgt h THR 497 Cb 1.04 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1jgt h THR 497 CO 1.22 0.00 -0.35 0.44 0.37 0.00 0.00 175.52 177.20 1jgt h ASP 498 N 0.00 0.63 0.22 4.18 3.32 -2.00 -3.04 116.42 119.73 1jgt h ASP 498 Ca 0.00 -0.54 -0.19 0.00 0.02 0.00 0.00 57.03 56.31 1jgt h ASP 498 Cb 0.15 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1jgt h ASP 498 CO 0.00 1.06 -0.76 -0.78 -1.72 0.00 0.00 179.24 177.03 1jgt h ASP 499 N 0.23 0.54 -0.75 6.45 3.58 -1.79 -2.31 116.42 122.36 1jgt h ASP 499 Ca 0.01 -0.37 0.08 0.00 0.42 0.00 0.00 57.03 57.17 1jgt h ASP 499 Cb 0.94 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.77 1jgt h ASP 499 CO 0.08 1.12 0.42 0.58 -2.88 0.00 0.00 179.24 178.56 1jgt h VAL 500 N 0.30 0.93 -0.24 2.25 2.07 -1.48 0.95 116.25 121.03 1jgt h VAL 500 Ca -0.04 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1jgt h VAL 500 Cb 1.35 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1jgt h VAL 500 CO 0.13 0.13 0.01 0.58 0.02 0.00 0.00 177.57 178.45 1jgt h VAL 501 N 0.74 1.25 -0.02 2.57 2.07 -1.49 -2.50 116.25 118.87 1jgt h VAL 501 Ca 0.35 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1jgt h VAL 501 Cb 0.28 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1jgt h VAL 501 CO -0.22 0.27 -0.24 -0.09 0.02 0.00 0.00 177.57 177.31 1jgt h ARG 502 N 0.19 -0.28 -0.21 1.57 9.65 -0.54 0.76 114.38 125.52 1jgt h ARG 502 Ca 0.07 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.02 1jgt h ARG 502 Cb 0.39 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.96 1jgt h ARG 502 CO 0.01 -0.19 -0.33 0.77 2.80 0.00 0.00 179.97 183.04 1jgt h SER 503 N -0.29 -1.04 -0.35 -3.80 0.02 -0.94 -0.68 113.55 106.47 1jgt h SER 503 Ca 0.01 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1jgt h SER 503 Cb 0.32 0.45 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1jgt h SER 503 CO -0.17 -0.35 0.22 0.58 -1.14 0.00 0.00 176.83 175.97 1jgt h VAL 504 N -0.36 1.10 0.38 2.27 2.07 -1.26 -3.06 116.25 117.39 1jgt h VAL 504 Ca 0.12 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1jgt h VAL 504 Cb 0.55 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1jgt h VAL 504 CO -0.41 0.10 -0.18 0.00 0.02 0.00 0.00 177.57 177.10 1jgt h ALA 505 N 1.76 -1.12 0.00 1.67 0.00 0.20 -2.89 119.26 118.87 1jgt h ALA 505 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1jgt h ALA 505 Cb -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jgt h ALA 505 CO -0.03 -1.09 -0.08 -0.40 0.00 0.00 0.00 179.25 177.66 1jgt n ASP 506 N -3.40 3.89 0.00 0.00 5.68 -0.64 -2.65 116.55 119.43 1jgt n ASP 506 Ca -0.06 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 1jgt n ASP 506 Cb 0.20 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.25 1jgt n ASP 506 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1jgt n ARG 507 N 2.12 -0.08 0.00 0.11 0.63 -1.09 -4.99 116.66 113.35 1jgt n ARG 507 Ca 0.15 -0.09 0.02 0.00 -0.92 0.00 0.00 57.85 57.02 1jgt n ARG 507 Cb 0.52 -0.56 0.02 0.00 0.45 0.00 0.00 32.46 32.89 1jgt n ARG 507 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37