#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jas s LYS 2 N 0.00 3.15 -0.16 2.12 1.02 -1.26 -3.01 119.74 121.60 2jas s LYS 2 Ca 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.13 2jas s LYS 2 Cb 0.00 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2jas s LYS 2 CO 0.00 -0.46 -0.06 0.42 -0.92 0.00 0.00 175.35 174.33 2jas s ILE 3 N 1.54 3.62 -0.01 2.17 1.01 0.28 -1.91 121.20 127.91 2jas s ILE 3 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2jas s ILE 3 Cb -0.17 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2jas s ILE 3 CO 0.04 0.49 -0.12 0.00 0.00 0.00 0.00 174.94 175.35 2jas s ALA 4 N 0.55 2.79 -0.18 9.38 0.00 0.26 -0.49 121.76 134.07 2jas s ALA 4 Ca -0.04 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2jas s ALA 4 Cb -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.03 2jas s ALA 4 CO 0.03 0.58 -0.12 0.42 0.00 0.00 0.00 175.76 176.67 2jas s ILE 5 N -0.89 1.66 -0.07 0.00 1.01 0.55 -0.04 121.20 123.42 2jas s ILE 5 Ca 0.14 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2jas s ILE 5 Cb -0.11 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2jas s ILE 5 CO 0.04 0.30 -0.17 0.12 0.00 0.00 0.00 174.94 175.23 2jas s PHE 6 N 1.41 1.88 0.00 3.97 5.36 0.97 -1.12 117.98 130.45 2jas s PHE 6 Ca 0.01 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 2jas s PHE 6 Cb -0.15 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 2jas s PHE 6 CO -0.09 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 2jas n GLY 7 N 3.56 1.15 3.58 13.12 0.00 -1.26 -0.89 105.19 124.44 2jas n GLY 7 Ca -0.21 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 2jas n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jas s THR 8 N -2.00 1.66 0.08 2.61 -1.32 -1.26 -4.91 115.64 110.50 2jas s THR 8 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 2jas s THR 8 Cb 0.00 -2.44 -0.07 0.00 -1.51 0.00 0.00 72.50 68.47 2jas s THR 8 CO 0.00 0.00 1.44 -0.69 -2.21 0.00 0.00 174.62 173.16 2jas s VAL 9 N -2.93 3.33 0.00 5.08 1.01 -1.26 -2.39 120.40 123.24 2jas s VAL 9 Ca 0.70 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.56 2jas s VAL 9 Cb -0.12 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2jas s VAL 9 CO 0.57 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2jas n GLY 10 N 3.63 0.45 0.19 4.51 0.00 -1.26 -4.76 105.19 107.94 2jas n GLY 10 Ca 0.13 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.35 2jas n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jas h ALA 11 N 0.00 0.88 0.00 4.61 0.00 -1.79 -3.39 119.26 119.57 2jas h ALA 11 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jas h ALA 11 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jas h ALA 11 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2jas n GLY 12 N 1.11 1.95 0.27 0.00 0.00 -1.26 -4.95 105.19 102.30 2jas n GLY 12 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2jas n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jas h LYS 13 N 0.00 0.75 -0.29 1.61 1.57 -1.92 -2.29 116.57 116.00 2jas h LYS 13 Ca 0.00 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 2jas h LYS 13 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2jas h LYS 13 CO 0.00 0.84 -0.39 0.66 -0.57 0.00 0.00 179.45 180.00 2jas h SER 14 N 0.68 0.84 -0.60 0.86 4.64 -1.98 -0.26 113.55 117.73 2jas h SER 14 Ca 0.11 -0.50 -0.05 0.00 -0.47 0.00 0.00 61.79 60.88 2jas h SER 14 Cb 0.60 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 2jas h SER 14 CO 0.04 1.17 0.18 0.74 -0.87 0.00 0.00 176.83 178.09 2jas h THR 15 N 0.53 1.24 -0.06 2.95 2.02 -1.98 -2.50 112.91 115.11 2jas h THR 15 Ca 0.03 -0.84 -0.15 0.00 0.77 0.00 0.00 66.41 66.23 2jas h THR 15 Cb 0.98 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2jas h THR 15 CO 0.09 0.32 -0.53 0.40 0.37 0.00 0.00 175.52 176.16 2jas h ILE 16 N 0.85 1.39 -0.06 3.11 2.04 -1.34 -2.55 117.51 120.95 2jas h ILE 16 Ca 0.19 -1.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 2jas h ILE 16 Cb 0.30 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2jas h ILE 16 CO -0.00 0.57 -0.21 0.77 0.00 0.00 0.00 178.15 179.27 2jas h SER 17 N 0.03 0.09 0.01 1.72 4.64 -1.10 -0.76 113.55 118.19 2jas h SER 17 Ca -0.05 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 2jas h SER 17 Cb 1.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2jas h SER 17 CO 0.11 0.31 -0.53 0.00 -0.87 0.00 0.00 176.83 175.85 2jas h ALA 18 N 1.70 0.72 -0.13 5.18 0.00 -1.45 -2.23 119.26 123.04 2jas h ALA 18 Ca 0.02 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 2jas h ALA 18 Cb 0.43 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jas h ALA 18 CO 0.03 0.68 -0.77 0.93 0.00 0.00 0.00 179.25 180.12 2jas h GLU 19 N 0.43 0.69 -0.48 0.00 4.39 -1.01 -1.76 114.58 116.84 2jas h GLU 19 Ca 0.01 -0.57 -0.07 0.00 0.34 0.00 0.00 59.36 59.07 2jas h GLU 19 Cb 1.06 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 2jas h GLU 19 CO 0.10 1.18 0.02 0.82 -1.16 0.00 0.00 179.01 179.97 2jas h ILE 20 N 0.47 1.26 -0.45 3.13 2.04 -1.19 -2.76 117.51 120.00 2jas h ILE 20 Ca -0.05 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2jas h ILE 20 Cb 1.39 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2jas h ILE 20 CO 0.15 0.36 0.12 -1.28 0.00 0.00 0.00 178.15 177.50 2jas h SER 21 N 0.70 0.62 0.25 1.72 0.87 -1.40 -1.59 113.55 114.72 2jas h SER 21 Ca 0.14 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2jas h SER 21 Cb 0.48 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2jas h SER 21 CO 0.02 0.61 -0.30 0.11 -0.53 0.00 0.00 176.83 176.75 2jas h LYS 22 N 0.66 -0.58 0.00 2.24 1.57 -1.18 0.53 116.57 119.81 2jas h LYS 22 Ca 0.15 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 2jas h LYS 22 Cb 0.23 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jas h LYS 22 CO -0.00 -0.38 -0.36 0.87 -0.57 0.00 0.00 179.45 179.00 2jas h LYS 23 N -0.60 0.00 0.00 3.15 1.57 -1.19 -3.32 116.57 116.19 2jas h LYS 23 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jas h LYS 23 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2jas h LYS 23 CO -0.09 0.36 -0.98 1.28 -0.57 0.00 0.00 179.45 179.46 2jas n LEU 24 N -3.80 0.04 -0.37 2.94 4.77 -0.63 -5.04 117.00 114.91 2jas n LEU 24 Ca -0.01 -0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2jas n LEU 24 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2jas n LEU 24 CO 0.37 0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 177.01 2jas n GLY 25 N 2.01 0.62 3.84 -0.72 0.00 0.18 -5.04 105.19 106.09 2jas n GLY 25 Ca -0.00 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2jas n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jas s TYR 26 N -2.18 3.45 0.34 1.61 4.12 -1.24 -5.04 117.35 118.41 2jas s TYR 26 Ca 0.00 1.24 -0.29 0.00 0.02 0.00 0.00 57.07 58.04 2jas s TYR 26 Cb 0.00 -2.54 -0.11 0.00 -1.52 0.00 0.00 41.96 37.79 2jas s TYR 26 CO 0.00 0.17 1.52 0.39 0.02 0.00 0.00 175.55 177.65 2jas n GLU 27 N -0.06 2.65 -3.75 -0.62 1.02 -1.26 -4.73 120.64 113.89 2jas n GLU 27 Ca 0.02 0.93 -0.36 0.00 -0.02 0.00 0.00 57.16 57.73 2jas n GLU 27 Cb 0.53 -2.68 -0.07 0.00 -0.02 0.00 0.00 31.44 29.20 2jas n GLU 27 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jas s ILE 28 N -0.62 5.42 -0.63 -3.67 1.01 -1.26 -1.63 121.20 119.81 2jas s ILE 28 Ca 0.58 0.25 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 2jas s ILE 28 Cb -0.49 -3.47 0.16 0.00 0.01 0.00 0.00 42.46 38.67 2jas s ILE 28 CO 0.57 0.49 0.52 -0.36 0.00 0.00 0.00 174.94 176.17 2jas s PHE 29 N -0.10 3.52 -0.08 3.97 0.40 -0.67 -5.01 117.98 120.01 2jas s PHE 29 Ca 0.11 -2.09 -0.14 0.00 -0.60 0.00 0.00 56.93 54.22 2jas s PHE 29 Cb -0.12 -3.55 -0.05 0.00 0.51 0.00 0.00 43.02 39.81 2jas s PHE 29 CO 0.01 -0.95 0.34 0.15 0.70 0.00 0.00 175.22 175.47 2jas s LYS 30 N 0.61 3.99 0.47 0.44 1.02 -1.26 -2.73 119.74 122.27 2jas s LYS 30 Ca 0.12 0.24 -0.24 0.00 0.02 0.00 0.00 55.97 56.12 2jas s LYS 30 Cb -0.20 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 2jas s LYS 30 CO -0.04 0.52 1.26 -1.83 -0.92 0.00 0.00 175.35 174.34 2jas s GLU 31 N -0.45 3.64 -0.09 1.68 -1.05 -1.26 -4.93 118.70 116.24 2jas s GLU 31 Ca 0.21 2.02 -0.36 0.00 -0.15 0.00 0.00 54.97 56.69 2jas s GLU 31 Cb -0.15 -2.47 -0.13 0.00 -0.44 0.00 0.00 34.13 30.94 2jas s GLU 31 CO 0.09 -0.72 1.79 -2.30 0.95 0.00 0.00 175.26 175.07 2jas n PRO 32 N -0.45 1.89 0.00 -4.83 -0.02 -1.26 -4.79 135.00 125.54 2jas n PRO 32 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2jas n PRO 32 Cb 0.46 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2jas n PRO 32 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jas n VAL 33 N 4.68 0.00 0.09 -1.45 0.31 -1.26 -4.51 118.33 116.19 2jas n VAL 33 Ca 0.23 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.48 2jas n VAL 33 Cb 0.25 -0.49 0.01 0.00 -0.91 0.00 0.00 33.84 32.70 2jas n VAL 33 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2jas h GLU 34 N 0.00 0.19 -0.30 5.55 4.39 -2.02 -3.23 114.58 119.16 2jas h GLU 34 Ca 0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2jas h GLU 34 Cb 0.77 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2jas h GLU 34 CO 0.00 0.92 0.00 0.39 -1.16 0.00 0.00 179.01 179.16 2jas n GLU 35 N -3.68 1.93 -3.03 2.33 1.02 -1.26 -4.84 120.64 113.11 2jas n GLU 35 Ca -0.03 -1.42 -0.43 0.00 -0.02 0.00 0.00 57.16 55.26 2jas n GLU 35 Cb 0.78 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 2jas n GLU 35 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jas s ASN 36 N -1.33 6.42 0.13 1.62 2.47 -1.22 -4.93 114.94 118.09 2jas s ASN 36 Ca 0.32 -0.03 0.24 0.00 0.42 0.00 0.00 52.86 53.81 2jas s ASN 36 Cb 0.17 -2.36 0.93 0.00 -1.45 0.00 0.00 41.25 38.54 2jas s ASN 36 CO 0.24 -0.78 1.75 -0.81 -3.72 0.00 0.00 177.10 173.78 2jas n PRO 37 N 6.41 0.13 0.00 0.43 -0.04 -1.26 -2.73 135.00 137.94 2jas n PRO 37 Ca 0.01 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2jas n PRO 37 Cb 0.48 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 2jas n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jas n TYR 38 N -1.93 0.00 -0.10 0.54 4.02 -1.26 -4.65 117.16 113.78 2jas n TYR 38 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.85 2jas n TYR 38 Cb 0.32 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 2jas n TYR 38 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2jas h PHE 39 N 0.58 -1.04 -0.34 -0.72 3.57 -1.86 0.12 116.94 117.25 2jas h PHE 39 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2jas h PHE 39 Cb 0.55 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2jas h PHE 39 CO 0.00 -0.41 -0.03 1.49 -2.23 0.00 0.00 178.31 177.13 2jas h GLU 40 N -0.31 0.61 -0.14 1.11 4.81 -1.83 -3.18 114.58 115.65 2jas h GLU 40 Ca 0.15 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2jas h GLU 40 Cb 0.56 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2jas h GLU 40 CO -0.52 0.76 0.07 1.96 -0.73 0.00 0.00 179.01 180.55 2jas h GLN 41 N 0.41 0.15 -0.87 1.92 4.20 -1.70 -2.91 115.11 116.31 2jas h GLN 41 Ca 0.09 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.97 2jas h GLN 41 Cb 0.50 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.14 2jas h GLN 41 CO 0.02 0.10 0.43 -0.92 -0.67 0.00 0.00 178.83 177.80 2jas h TYR 42 N 0.16 0.75 0.00 2.96 3.20 -0.77 0.78 116.97 124.05 2jas h TYR 42 Ca 0.06 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 2jas h TYR 42 Cb 0.01 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2jas h TYR 42 CO -0.09 0.11 -0.58 1.88 -1.64 0.00 0.00 178.16 177.84 2jas h TYR 43 N 0.56 0.00 -0.10 -3.82 -1.99 -1.57 -2.63 116.97 107.41 2jas h TYR 43 Ca 0.50 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 61.02 2jas h TYR 43 Cb 0.81 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.54 2jas h TYR 43 CO -0.10 0.58 -0.79 0.87 -0.00 0.00 0.00 178.16 178.72 2jas h LYS 44 N 0.00 0.58 -1.57 4.88 1.57 -0.82 -3.39 116.57 117.83 2jas h LYS 44 Ca -0.01 -0.50 -0.23 0.00 -1.87 0.00 0.00 60.65 58.05 2jas h LYS 44 Cb 1.39 0.11 -0.26 0.00 0.08 0.00 0.00 32.23 33.54 2jas h LYS 44 CO 0.07 1.12 -0.58 0.34 -0.57 0.00 0.00 179.45 179.84 2jas s ASP 45 N -7.06 0.06 0.15 0.86 -1.08 0.07 -5.04 116.67 104.63 2jas s ASP 45 Ca -0.08 -1.08 -0.16 0.00 -0.52 0.00 0.00 52.55 50.72 2jas s ASP 45 Cb 0.09 1.16 0.02 0.00 -1.46 0.00 0.00 42.92 42.73 2jas s ASP 45 CO 0.87 -0.24 1.75 -0.07 0.52 0.00 0.00 175.17 178.00 2jas h LEU 46 N 7.23 0.55 -0.31 -1.34 3.38 -1.69 -3.27 115.31 119.87 2jas h LEU 46 Ca 0.03 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jas h LEU 46 Cb 1.11 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2jas h LEU 46 CO 0.17 0.49 -0.09 0.11 0.09 0.00 0.00 178.44 179.21 2jas h LYS 47 N 0.56 -0.02 0.00 1.13 1.57 -1.87 -0.30 116.57 117.64 2jas h LYS 47 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jas h LYS 47 Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jas h LYS 47 CO -0.02 -0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.47 2jas n LYS 48 N -5.27 0.47 0.00 3.15 5.02 -1.24 -4.13 118.16 116.16 2jas n LYS 48 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2jas n LYS 48 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2jas n LYS 48 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jas n THR 49 N -1.24 0.00 -0.39 -0.18 -1.04 -0.76 -4.86 114.28 105.81 2jas n THR 49 Ca 0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.10 2jas n THR 49 Cb 0.20 -0.26 -0.02 0.00 -1.82 0.00 0.00 70.33 68.43 2jas n THR 49 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2jas n VAL 50 N -1.54 -0.58 -0.19 12.58 0.24 -0.19 -1.31 118.33 127.33 2jas n VAL 50 Ca 0.00 2.32 -0.08 0.00 -2.04 0.00 0.00 64.34 64.54 2jas n VAL 50 Cb 0.23 -2.97 0.02 0.00 -1.47 0.00 0.00 33.84 29.65 2jas n VAL 50 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2jas h PHE 51 N 0.00 0.81 -0.45 6.34 -1.00 -1.87 -0.65 116.94 120.11 2jas h PHE 51 Ca 0.25 -0.06 0.05 0.00 2.81 0.00 0.00 57.97 61.03 2jas h PHE 51 Cb 0.50 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 2jas h PHE 51 CO -0.93 0.66 0.18 0.87 -1.61 0.00 0.00 178.31 177.48 2jas h LYS 52 N 0.73 0.35 -0.19 1.51 1.57 -1.68 -2.46 116.57 116.40 2jas h LYS 52 Ca 0.18 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2jas h LYS 52 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jas h LYS 52 CO -0.02 0.23 0.04 1.98 -0.57 0.00 0.00 179.45 181.11 2jas h MET 53 N 0.36 0.11 -0.07 3.15 4.05 -0.41 -2.40 114.93 119.72 2jas h MET 53 Ca 0.21 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.63 2jas h MET 53 Cb 0.19 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 2jas h MET 53 CO -0.20 0.08 0.02 1.96 0.23 0.00 0.00 176.91 179.00 2jas h GLN 54 N 0.12 0.06 -1.00 0.39 1.08 -0.99 -1.66 115.11 113.11 2jas h GLN 54 Ca 0.09 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2jas h GLN 54 Cb 0.08 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 2jas h GLN 54 CO -0.11 0.04 0.65 0.82 -0.95 0.00 0.00 178.83 179.28 2jas h ILE 55 N 0.06 1.16 -0.09 2.54 2.04 -1.34 0.25 117.51 122.14 2jas h ILE 55 Ca 0.03 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2jas h ILE 55 Cb 0.02 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 35.89 2jas h ILE 55 CO -0.03 0.23 0.05 0.22 0.00 0.00 0.00 178.15 178.62 2jas h TYR 56 N 1.25 0.11 -0.64 1.37 3.20 -1.14 -2.30 116.97 118.83 2jas h TYR 56 Ca 0.40 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.21 2jas h TYR 56 Cb 0.02 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2jas h TYR 56 CO -0.00 0.10 0.15 0.52 -1.64 0.00 0.00 178.16 177.29 2jas h MET 57 N 0.09 1.03 -0.82 1.82 2.86 -0.10 -1.46 114.93 118.35 2jas h MET 57 Ca 0.03 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 2jas h MET 57 Cb 0.02 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2jas h MET 57 CO -0.01 0.93 0.39 -0.07 1.06 0.00 0.00 176.91 179.21 2jas h LEU 58 N 0.95 1.08 -0.81 1.22 3.38 -0.54 -1.02 115.31 119.57 2jas h LEU 58 Ca 0.20 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2jas h LEU 58 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2jas h LEU 58 CO 0.00 0.92 0.21 0.74 0.09 0.00 0.00 178.44 180.40 2jas h THR 59 N 1.18 1.26 -0.10 0.22 2.02 -0.92 -1.29 112.91 115.28 2jas h THR 59 Ca 0.28 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2jas h THR 59 Cb 0.13 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2jas h THR 59 CO -0.03 0.35 -0.00 0.00 0.37 0.00 0.00 175.52 176.20 2jas h ALA 60 N 1.17 0.13 -0.57 6.16 0.00 -0.68 -1.99 119.26 123.50 2jas h ALA 60 Ca 0.23 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jas h ALA 60 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jas h ALA 60 CO -0.01 -0.17 0.35 0.00 0.00 0.00 0.00 179.25 179.42 2jas h ARG 61 N -0.11 0.67 -0.58 0.00 2.47 -1.06 -0.93 114.38 114.84 2jas h ARG 61 Ca 0.03 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2jas h ARG 61 Cb 0.36 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2jas h ARG 61 CO 0.01 0.44 0.27 1.03 0.56 0.00 0.00 179.97 182.28 2jas h SER 62 N 0.69 0.76 -0.06 7.04 0.87 -1.22 0.12 113.55 121.75 2jas h SER 62 Ca 0.23 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2jas h SER 62 Cb 0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2jas h SER 62 CO -0.09 0.68 -0.04 0.11 -0.53 0.00 0.00 176.83 176.95 2jas h LYS 63 N 0.78 -0.05 -0.16 2.24 1.57 -1.04 -1.52 116.57 118.40 2jas h LYS 63 Ca 0.20 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2jas h LYS 63 Cb 0.13 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2jas h LYS 63 CO -0.02 -0.03 -0.15 1.96 -0.57 0.00 0.00 179.45 180.64 2jas h GLN 64 N -0.05 -0.16 -0.96 3.15 4.20 -0.85 -2.11 115.11 118.33 2jas h GLN 64 Ca 0.04 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.89 2jas h GLN 64 Cb 0.11 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 2jas h GLN 64 CO -0.09 -0.11 0.61 1.25 -0.67 0.00 0.00 178.83 179.82 2jas h LEU 65 N -0.17 0.82 -0.20 1.46 5.85 -0.49 -1.99 115.31 120.59 2jas h LEU 65 Ca 0.10 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2jas h LEU 65 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2jas h LEU 65 CO -0.26 0.42 -0.06 0.50 -0.34 0.00 0.00 178.44 178.70 2jas h LYS 66 N 0.87 0.39 0.00 1.25 3.64 -0.65 -2.89 116.57 119.19 2jas h LYS 66 Ca 0.49 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2jas h LYS 66 Cb 0.60 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2jas h LYS 66 CO -0.25 0.65 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 2jas n GLN 67 N -4.62 0.11 -0.00 1.90 10.64 -0.89 -3.30 117.38 121.23 2jas n GLN 67 Ca -0.05 0.19 0.10 0.00 -1.83 0.00 0.00 57.00 55.42 2jas n GLN 67 Cb 0.29 -1.66 -0.12 0.00 -0.86 0.00 0.00 30.24 27.89 2jas n GLN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jas n ALA 68 N -1.64 4.10 -0.22 2.61 0.00 -0.78 -4.57 120.51 120.01 2jas n ALA 68 Ca 0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 2jas n ALA 68 Cb 0.31 -0.79 0.04 0.00 0.00 0.00 0.00 19.45 19.02 2jas n ALA 68 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jas h LYS 69 N 0.00 0.84 0.00 0.00 1.57 -1.50 -2.51 116.57 114.97 2jas h LYS 69 Ca 0.00 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2jas h LYS 69 Cb 0.65 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2jas h LYS 69 CO 0.00 0.58 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.22 2jas h ASN 70 N 0.85 0.00 -3.91 0.86 4.21 -1.80 -3.46 115.58 112.33 2jas h ASN 70 Ca 0.23 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.21 2jas h ASN 70 Cb -0.05 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 37.22 2jas h ASN 70 CO -0.05 0.34 0.62 -0.76 -1.29 0.00 0.00 177.43 176.29 2jas s LEU 71 N -6.95 4.34 0.00 1.61 1.43 -0.95 -5.00 118.68 113.16 2jas s LEU 71 Ca 0.00 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 2jas s LEU 71 Cb 0.10 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2jas s LEU 71 CO 0.68 -0.65 0.26 1.21 0.23 0.00 0.00 176.35 178.07 2jas n GLU 72 N 0.51 0.00 -3.88 1.70 2.13 -1.26 -4.84 120.64 115.00 2jas n GLU 72 Ca 0.02 0.45 -0.36 0.00 0.66 0.00 0.00 57.16 57.93 2jas n GLU 72 Cb 0.43 -1.08 -0.12 0.00 0.27 0.00 0.00 31.44 30.93 2jas n GLU 72 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2jas s ASN 73 N -2.58 5.21 0.06 4.31 0.01 -1.26 -4.39 114.94 116.31 2jas s ASN 73 Ca 0.00 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.05 2jas s ASN 73 Cb 0.00 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 2jas s ASN 73 CO 0.00 0.03 -0.10 0.27 -1.51 0.00 0.00 177.10 175.79 2jas s ILE 74 N 1.22 0.81 -0.11 0.60 -4.36 -1.16 -4.18 121.20 114.02 2jas s ILE 74 Ca 0.04 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.18 2jas s ILE 74 Cb -0.14 -0.93 0.01 0.00 1.25 0.00 0.00 42.46 42.64 2jas s ILE 74 CO 0.03 -0.37 -0.21 -0.63 0.24 0.00 0.00 174.94 174.00 2jas s ILE 75 N -1.59 1.92 -0.27 8.37 1.01 -0.65 -0.56 121.20 129.43 2jas s ILE 75 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 2jas s ILE 75 Cb -0.08 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2jas s ILE 75 CO 0.01 0.53 0.01 -0.36 0.00 0.00 0.00 174.94 175.13 2jas s PHE 76 N 0.61 3.10 -0.91 3.97 0.40 0.35 -1.67 117.98 123.84 2jas s PHE 76 Ca -0.13 -1.22 -0.24 0.00 -0.60 0.00 0.00 56.93 54.75 2jas s PHE 76 Cb -0.17 -2.16 0.05 0.00 0.51 0.00 0.00 43.02 41.26 2jas s PHE 76 CO 0.03 -0.64 1.34 0.34 0.70 0.00 0.00 175.22 176.99 2jas s ASP 77 N 1.42 6.40 0.00 1.36 2.15 -1.10 -0.33 116.67 126.56 2jas s ASP 77 Ca 0.02 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.79 2jas s ASP 77 Cb -0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2jas s ASP 77 CO -0.01 -1.55 0.00 -1.14 -0.17 0.00 0.00 175.17 172.30 2jas n ARG 78 N 8.70 0.00 -2.26 4.34 0.63 -0.28 -4.55 116.66 123.24 2jas n ARG 78 Ca 0.21 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.89 2jas n ARG 78 Cb 0.50 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.50 2jas n ARG 78 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2jas s THR 79 N -1.33 2.24 -1.02 5.15 -4.23 -1.26 -4.90 115.64 110.29 2jas s THR 79 Ca 0.00 -0.32 0.23 0.00 -1.18 0.00 0.00 61.69 60.42 2jas s THR 79 Cb 0.00 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 71.11 2jas s THR 79 CO 0.00 0.00 1.72 0.18 -0.54 0.00 0.00 174.62 175.98 2jas n LEU 80 N -2.98 0.00 -0.86 4.79 4.77 -1.26 -3.74 117.00 117.72 2jas n LEU 80 Ca 0.10 0.49 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 2jas n LEU 80 Cb 0.60 -0.49 0.24 0.00 -2.33 0.00 0.00 43.42 41.44 2jas n LEU 80 CO 0.49 -0.11 0.70 0.18 -1.33 0.00 0.00 177.39 177.32 2jas n LEU 81 N -1.49 3.72 -0.22 2.23 4.77 -1.26 -4.52 117.00 120.23 2jas n LEU 81 Ca 0.06 -2.78 0.07 0.00 -0.03 0.00 0.00 56.01 53.32 2jas n LEU 81 Cb 0.26 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2jas n LEU 81 CO 0.21 0.69 0.15 -0.62 -1.33 0.00 0.00 177.39 176.48 2jas n GLU 82 N -0.24 2.01 -0.34 3.23 1.02 -1.25 -4.59 120.64 120.47 2jas n GLU 82 Ca 0.19 -0.49 -0.03 0.00 -0.02 0.00 0.00 57.16 56.81 2jas n GLU 82 Cb 0.79 -1.20 0.10 0.00 -0.02 0.00 0.00 31.44 31.11 2jas n GLU 82 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jas h ASP 83 N 1.06 1.13 -0.93 1.62 3.32 -1.85 -2.19 116.42 118.58 2jas h ASP 83 Ca 0.00 -0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.19 2jas h ASP 83 Cb 0.44 -0.29 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 2jas h ASP 83 CO 0.00 0.88 0.62 -0.65 -1.72 0.00 0.00 179.24 178.37 2jas h PRO 84 N 1.29 0.37 -0.70 3.56 0.11 -1.94 -1.71 132.00 132.98 2jas h PRO 84 Ca 0.33 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.55 2jas h PRO 84 Cb -0.03 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 30.91 2jas h PRO 84 CO -0.06 0.24 0.24 0.82 -0.21 0.00 0.00 178.00 179.04 2jas h ILE 85 N 0.38 0.66 -0.50 4.15 2.04 -1.71 0.25 117.51 122.79 2jas h ILE 85 Ca 0.49 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 66.13 2jas h ILE 85 Cb 1.27 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2jas h ILE 85 CO -0.18 0.07 -0.04 -0.26 0.00 0.00 0.00 178.15 177.73 2jas h PHE 86 N 0.39 0.95 -0.18 1.37 -1.00 -1.42 -2.36 116.94 114.69 2jas h PHE 86 Ca 0.37 -0.16 -0.06 0.00 2.81 0.00 0.00 57.97 60.93 2jas h PHE 86 Cb 0.55 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 2jas h PHE 86 CO -0.19 0.89 -0.12 1.98 -1.61 0.00 0.00 178.31 179.25 2jas h MET 87 N 0.80 0.41 -0.93 1.51 4.05 -1.25 -2.25 114.93 117.26 2jas h MET 87 Ca 0.14 -0.19 0.21 0.00 -0.28 0.00 0.00 59.70 59.58 2jas h MET 87 Cb 0.54 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 2jas h MET 87 CO 0.03 0.73 0.61 -0.22 0.23 0.00 0.00 176.91 178.30 2jas h LYS 88 N 0.08 0.42 -0.12 0.39 1.63 -0.91 0.66 116.57 118.72 2jas h LYS 88 Ca 0.04 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2jas h LYS 88 Cb 0.63 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2jas h LYS 88 CO 0.03 0.28 -0.07 0.28 -3.45 0.00 0.00 179.45 176.52 2jas h VAL 89 N 0.44 1.32 -0.31 2.00 2.07 -0.88 -1.49 116.25 119.40 2jas h VAL 89 Ca 0.49 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2jas h VAL 89 Cb 1.19 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2jas h VAL 89 CO -0.21 0.32 -0.05 0.78 0.02 0.00 0.00 177.57 178.44 2jas h ASN 90 N -0.09 0.46 0.26 0.57 2.35 -0.76 -2.27 115.58 116.10 2jas h ASN 90 Ca 0.03 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2jas h ASN 90 Cb 0.54 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2jas h ASN 90 CO 0.02 0.56 -0.13 0.22 -1.65 0.00 0.00 177.43 176.46 2jas h TYR 91 N 0.46 -0.32 0.00 1.19 3.20 -0.85 0.62 116.97 121.26 2jas h TYR 91 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2jas h TYR 91 Cb 0.37 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2jas h TYR 91 CO 0.01 -0.19 -0.03 -0.44 -1.64 0.00 0.00 178.16 175.87 2jas h ASP 92 N -0.36 0.00 -0.59 -2.11 3.32 -0.83 0.07 116.42 115.91 2jas h ASP 92 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2jas h ASP 92 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2jas h ASP 92 CO 0.06 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.78 2jas n LEU 93 N -4.19 3.94 -4.00 1.55 4.77 -0.89 -4.94 117.00 113.24 2jas n LEU 93 Ca -0.03 -1.98 -0.32 0.00 -0.03 0.00 0.00 56.01 53.65 2jas n LEU 93 Cb 0.11 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2jas n LEU 93 CO 0.31 0.76 0.07 0.59 -1.33 0.00 0.00 177.39 177.79 2jas n ASN 94 N 1.08 -4.34 0.05 -1.43 3.02 0.01 -4.86 115.26 108.79 2jas n ASN 94 Ca 0.22 -0.85 0.12 0.00 -0.03 0.00 0.00 54.58 54.04 2jas n ASN 94 Cb 0.71 -3.57 0.17 0.00 -0.61 0.00 0.00 39.78 36.48 2jas n ASN 94 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jas n ASN 95 N -2.79 0.66 -3.91 6.41 3.02 0.21 -4.81 115.26 114.06 2jas n ASN 95 Ca 0.05 0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.45 2jas n ASN 95 Cb 0.52 0.22 -0.16 0.00 -0.61 0.00 0.00 39.78 39.75 2jas n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jas s VAL 96 N -3.15 0.59 0.94 2.41 1.01 -1.05 -4.57 120.40 116.58 2jas s VAL 96 Ca 0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 2jas s VAL 96 Cb 0.14 -0.61 0.16 0.00 0.00 0.00 0.00 36.38 36.07 2jas s VAL 96 CO 0.72 0.24 1.21 1.51 0.00 0.00 0.00 175.10 178.78 2jas s ASP 97 N 0.86 3.33 0.14 3.32 1.47 -1.26 -4.52 116.67 120.02 2jas s ASP 97 Ca -0.12 0.65 -0.25 0.00 1.18 0.00 0.00 52.55 54.02 2jas s ASP 97 Cb -0.15 -0.99 -0.00 0.00 -0.34 0.00 0.00 42.92 41.44 2jas s ASP 97 CO 0.01 -2.63 1.62 1.56 0.68 0.00 0.00 175.17 176.40 2jas h GLN 98 N -1.56 -0.33 0.34 2.11 1.08 -2.00 -2.48 115.11 112.27 2jas h GLN 98 Ca -0.47 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2jas h GLN 98 Cb 1.30 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.78 2jas h GLN 98 CO 0.52 -0.22 -0.30 1.15 -0.95 0.00 0.00 178.83 179.03 2jas h THR 99 N -0.34 0.38 -1.00 -0.54 2.02 -1.99 -0.98 112.91 110.46 2jas h THR 99 Ca 0.11 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.36 2jas h THR 99 Cb 0.51 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 2jas h THR 99 CO -0.36 0.00 0.64 0.44 0.37 0.00 0.00 175.52 176.61 2jas h ASP 100 N -0.65 1.01 -0.04 4.18 3.32 -1.94 0.19 116.42 122.49 2jas h ASP 100 Ca -0.02 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2jas h ASP 100 Cb 0.58 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jas h ASP 100 CO -0.04 0.63 0.02 0.22 -1.72 0.00 0.00 179.24 178.36 2jas h TYR 101 N 1.14 0.06 -0.80 4.55 3.20 -1.14 0.15 116.97 124.13 2jas h TYR 101 Ca 0.44 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.45 2jas h TYR 101 Cb 0.22 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 2jas h TYR 101 CO -0.00 0.15 0.36 -0.91 -1.64 0.00 0.00 178.16 176.12 2jas h ASN 102 N -0.05 0.38 -0.48 -2.11 2.35 -0.55 -0.42 115.58 114.70 2jas h ASN 102 Ca 0.01 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2jas h ASN 102 Cb 0.11 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2jas h ASN 102 CO -0.00 0.14 0.21 0.74 -1.65 0.00 0.00 177.43 176.87 2jas h THR 103 N 0.51 1.20 0.35 2.81 2.02 -0.24 -2.70 112.91 116.86 2jas h THR 103 Ca 0.44 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2jas h THR 103 Cb 0.66 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2jas h THR 103 CO -0.39 0.23 -0.17 0.22 0.37 0.00 0.00 175.52 175.78 2jas h TYR 104 N 0.63 -0.43 -0.48 3.16 3.20 0.41 -1.42 116.97 122.04 2jas h TYR 104 Ca 0.16 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 2jas h TYR 104 Cb 0.16 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2jas h TYR 104 CO -0.00 -0.19 0.19 0.82 -1.64 0.00 0.00 178.16 177.34 2jas h ILE 105 N -0.59 1.21 -0.98 1.81 2.04 -1.20 0.29 117.51 120.09 2jas h ILE 105 Ca -0.05 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.26 2jas h ILE 105 Cb 0.43 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2jas h ILE 105 CO 0.08 0.24 0.63 -0.78 0.00 0.00 0.00 178.15 178.32 2jas h ASP 106 N 0.63 0.94 0.37 1.72 3.58 -1.52 -0.75 116.42 121.39 2jas h ASP 106 Ca 0.16 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2jas h ASP 106 Cb 0.20 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2jas h ASP 106 CO -0.01 0.54 -0.18 0.15 -2.88 0.00 0.00 179.24 176.86 2jas h PHE 107 N 1.03 -0.47 -0.63 0.28 3.57 -0.53 -3.00 116.94 117.19 2jas h PHE 107 Ca 0.46 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.98 2jas h PHE 107 Cb 0.37 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2jas h PHE 107 CO -0.00 -0.13 0.42 -0.92 -2.23 0.00 0.00 178.31 175.44 2jas h TYR 108 N -0.92 0.73 -0.15 0.41 3.20 -0.19 0.66 116.97 120.70 2jas h TYR 108 Ca -0.05 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.61 2jas h TYR 108 Cb 0.54 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.58 2jas h TYR 108 CO 0.03 0.43 -0.78 -0.91 -1.64 0.00 0.00 178.16 175.28 2jas h ASN 109 N 0.76 0.92 0.33 -2.11 2.35 -1.23 -1.40 115.58 115.19 2jas h ASN 109 Ca 0.25 -0.61 -0.31 0.00 -0.55 0.00 0.00 56.30 55.08 2jas h ASN 109 Cb 0.06 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.10 2jas h ASN 109 CO -0.07 1.40 -1.93 0.59 -1.65 0.00 0.00 177.43 175.77 2jas n ASN 110 N -3.93 0.57 -0.11 5.81 3.02 -1.06 -3.59 115.26 115.97 2jas n ASN 110 Ca -0.07 0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.52 2jas n ASN 110 Cb 0.75 0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 40.13 2jas n ASN 110 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jas n VAL 111 N -2.93 1.54 -0.09 2.41 0.31 0.20 -4.66 118.33 115.10 2jas n VAL 111 Ca -0.22 -0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 63.87 2jas n VAL 111 Cb 1.08 -2.03 -0.11 0.00 -0.91 0.00 0.00 33.84 31.87 2jas n VAL 111 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jas h VAL 112 N -0.99 1.16 0.00 2.52 2.07 -1.56 -3.38 116.25 116.08 2jas h VAL 112 Ca -0.38 -2.16 -0.39 0.00 0.82 0.00 0.00 66.70 64.59 2jas h VAL 112 Cb 1.34 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2jas h VAL 112 CO -0.23 0.39 2.21 0.18 0.02 0.00 0.00 177.57 180.15 2jas n LEU 113 N -4.51 5.73 -1.26 2.57 4.77 -0.55 -4.36 117.00 119.38 2jas n LEU 113 Ca -0.22 -3.20 0.09 0.00 -0.03 0.00 0.00 56.01 52.65 2jas n LEU 113 Cb 0.57 -1.21 0.29 0.00 -2.33 0.00 0.00 43.42 40.74 2jas n LEU 113 CO 0.23 1.17 0.74 -0.62 -1.33 0.00 0.00 177.39 177.59 2jas n GLU 114 N 3.59 2.82 -1.55 3.23 -0.58 -1.26 -4.79 120.64 122.11 2jas n GLU 114 Ca 0.51 -2.34 -0.23 0.00 -0.42 0.00 0.00 57.16 54.68 2jas n GLU 114 Cb 0.31 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 2jas n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2jas n ASN 115 N 1.18 1.81 -3.02 1.62 3.02 -1.26 -5.18 115.26 113.43 2jas n ASN 115 Ca 0.21 -1.04 -0.23 0.00 -0.03 0.00 0.00 54.58 53.49 2jas n ASN 115 Cb 0.63 -1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 2jas n ASN 115 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jas n LEU 116 N 16.92 2.96 -3.65 3.41 4.77 -1.26 -5.28 117.00 134.86 2jas n LEU 116 Ca 0.45 -5.35 -0.14 0.00 -0.03 0.00 0.00 56.01 50.94 2jas n LEU 116 Cb 0.45 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2jas n LEU 116 CO 0.64 2.31 0.34 -0.36 -1.33 0.00 0.00 177.39 178.99 2jas s PHE 125 N -3.05 -0.70 0.03 -1.77 0.40 -1.26 -5.33 117.98 106.30 2jas s PHE 125 Ca 0.45 1.67 0.10 0.00 -0.60 0.00 0.00 56.93 58.55 2jas s PHE 125 Cb 0.32 0.25 -0.20 0.00 0.51 0.00 0.00 43.02 43.89 2jas s PHE 125 CO -0.11 -0.36 1.02 -0.44 0.70 0.00 0.00 175.22 176.03 2jas h ASP 126 N 4.96 0.00 -3.19 1.36 5.19 -1.77 -3.44 116.42 119.53 2jas h ASP 126 Ca -0.28 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.07 2jas h ASP 126 Cb 1.16 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.44 2jas h ASP 126 CO 0.12 0.96 -0.14 -0.51 -3.12 0.00 0.00 179.24 176.55 2jas s ILE 127 N -2.69 -0.01 -0.33 0.35 2.07 -1.15 -4.81 121.20 114.63 2jas s ILE 127 Ca -0.01 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2jas s ILE 127 Cb 0.09 -0.79 0.07 0.00 0.13 0.00 0.00 42.46 41.95 2jas s ILE 127 CO 0.82 0.02 0.07 -0.69 -1.91 0.00 0.00 174.94 173.24 2jas s VAL 128 N 1.40 3.10 -0.22 4.00 1.01 0.17 -0.57 120.40 129.29 2jas s VAL 128 Ca -0.09 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.04 2jas s VAL 128 Cb -0.07 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2jas s VAL 128 CO -0.15 -0.29 0.89 -0.63 0.00 0.00 0.00 175.10 174.92 2jas s ILE 129 N 1.22 4.80 -0.36 2.22 1.01 0.94 -1.55 121.20 129.47 2jas s ILE 129 Ca -0.01 1.71 -0.14 0.00 0.00 0.00 0.00 60.65 62.21 2jas s ILE 129 Cb -0.21 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.09 2jas s ILE 129 CO -0.02 -0.08 0.31 -0.47 0.00 0.00 0.00 174.94 174.68 2jas s TYR 130 N 2.78 3.22 -0.77 3.97 5.04 0.23 -0.02 117.35 131.80 2jas s TYR 130 Ca 0.38 -0.25 -0.21 0.00 -2.44 0.00 0.00 57.07 54.56 2jas s TYR 130 Cb -0.16 -2.60 0.10 0.00 0.35 0.00 0.00 41.96 39.66 2jas s TYR 130 CO 0.08 -0.46 1.00 -0.51 -1.34 0.00 0.00 175.55 174.32 2jas s LEU 131 N 1.84 4.78 -0.21 6.97 1.43 -0.07 -1.66 118.68 131.76 2jas s LEU 131 Ca 0.08 -1.49 -0.19 0.00 -1.03 0.00 0.00 54.13 51.50 2jas s LEU 131 Cb -0.17 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2jas s LEU 131 CO 0.11 -1.24 0.57 -0.60 0.23 0.00 0.00 176.35 175.41 2jas s ARG 132 N 3.32 4.17 0.08 1.70 3.52 -1.03 -4.59 118.95 126.13 2jas s ARG 132 Ca 0.25 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.36 2jas s ARG 132 Cb -0.13 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2jas s ARG 132 CO 0.01 -0.24 -0.08 0.14 -0.81 0.00 0.00 175.30 174.33 2jas s VAL 133 N 1.92 0.69 0.63 7.11 -7.23 -1.26 -1.90 120.40 120.36 2jas s VAL 133 Ca 0.25 -1.55 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 2jas s VAL 133 Cb -0.16 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2jas s VAL 133 CO 0.10 -0.62 1.07 -0.94 -0.31 0.00 0.00 175.10 174.40 2jas s SER 134 N -2.36 5.53 0.10 4.85 1.04 -1.26 -4.96 113.70 116.64 2jas s SER 134 Ca 0.02 1.84 -0.22 0.00 0.48 0.00 0.00 55.95 58.07 2jas s SER 134 Cb -0.02 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 2jas s SER 134 CO -0.02 -1.34 1.73 0.74 0.98 0.00 0.00 173.24 175.33 2jas h THR 135 N 0.16 0.95 -0.59 2.02 2.02 -1.96 -2.57 112.91 112.94 2jas h THR 135 Ca -0.46 -0.01 0.17 0.00 0.77 0.00 0.00 66.41 66.88 2jas h THR 135 Cb 1.23 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2jas h THR 135 CO 0.56 0.00 0.42 0.50 0.37 0.00 0.00 175.52 177.38 2jas h LYS 136 N 0.02 0.00 0.14 6.66 3.64 -1.98 -0.29 116.57 124.75 2jas h LYS 136 Ca 0.03 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 2jas h LYS 136 Cb 0.04 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2jas h LYS 136 CO -0.06 0.00 -0.93 1.15 -2.27 0.00 0.00 179.45 177.34 2jas h THR 137 N 0.00 1.42 -0.73 1.00 2.02 -1.90 -3.24 112.91 111.47 2jas h THR 137 Ca 0.28 -2.51 0.04 0.00 0.77 0.00 0.00 66.41 64.99 2jas h THR 137 Cb 1.12 3.11 -0.05 0.00 -1.74 0.00 0.00 68.15 70.59 2jas h THR 137 CO -0.00 0.71 0.45 0.00 0.37 0.00 0.00 175.52 177.05 2jas h ALA 138 N 0.05 0.98 -0.21 6.16 0.00 -0.93 -1.86 119.26 123.45 2jas h ALA 138 Ca -0.17 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jas h ALA 138 Cb 1.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2jas h ALA 138 CO 0.13 0.21 0.02 0.82 0.00 0.00 0.00 179.25 180.44 2jas h ILE 139 N 0.86 0.88 0.00 0.00 2.04 -1.21 -0.77 117.51 119.32 2jas h ILE 139 Ca 0.31 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 66.07 2jas h ILE 139 Cb 0.08 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2jas h ILE 139 CO -0.13 0.02 -0.30 0.77 0.00 0.00 0.00 178.15 178.51 2jas h SER 140 N 0.10 0.00 0.10 1.72 4.64 -1.53 0.30 113.55 118.87 2jas h SER 140 Ca 0.10 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 2jas h SER 140 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2jas h SER 140 CO -0.14 0.30 -0.51 0.03 -0.87 0.00 0.00 176.83 175.63 2jas h ARG 141 N 0.00 0.46 -0.15 4.77 3.08 -0.88 0.45 114.38 122.11 2jas h ARG 141 Ca -0.00 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2jas h ARG 141 Cb 0.72 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2jas h ARG 141 CO 0.04 0.86 0.03 0.82 -1.07 0.00 0.00 179.97 180.66 2jas h ILE 142 N 0.36 1.20 -0.19 2.04 2.04 -0.48 0.33 117.51 122.80 2jas h ILE 142 Ca 0.01 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2jas h ILE 142 Cb 1.02 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2jas h ILE 142 CO 0.09 0.19 0.13 0.11 0.00 0.00 0.00 178.15 178.67 2jas h LYS 143 N 0.04 0.25 0.00 2.37 1.57 -0.77 -1.37 116.57 118.65 2jas h LYS 143 Ca 0.05 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 2jas h LYS 143 Cb 0.27 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2jas h LYS 143 CO 0.00 0.16 -1.22 1.63 -0.57 0.00 0.00 179.45 179.45 2jas n LYS 144 N -4.51 0.55 0.00 3.15 5.02 0.13 -4.80 118.16 117.70 2jas n LYS 144 Ca -0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2jas n LYS 144 Cb 0.08 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2jas n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jas n ARG 145 N -4.45 0.51 0.00 1.97 1.74 0.11 -5.05 116.66 111.49 2jas n ARG 145 Ca -0.30 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 2jas n ARG 145 Cb 0.63 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 2jas n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jas n GLY 146 N -0.14 -0.70 2.81 -0.13 0.00 -0.52 -4.95 105.19 101.56 2jas n GLY 146 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 2jas n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jas s ARG 147 N 0.00 0.74 0.57 1.61 1.81 -1.26 -5.05 118.95 117.37 2jas s ARG 147 Ca 0.00 0.03 0.46 0.00 -1.72 0.00 0.00 55.73 54.50 2jas s ARG 147 Cb 0.00 -1.01 1.59 0.00 -0.45 0.00 0.00 34.95 35.08 2jas s ARG 147 CO 0.00 -0.26 1.55 0.66 -0.68 0.00 0.00 175.30 176.57 2jas h SER 148 N 8.11 0.00 0.48 0.23 4.64 -1.97 0.58 113.55 125.62 2jas h SER 148 Ca -0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2jas h SER 148 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2jas h SER 148 CO 0.31 0.00 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.77 2jas h GLU 149 N 0.00 0.00 0.00 4.77 3.07 -1.97 -2.62 114.58 117.84 2jas h GLU 149 Ca 0.83 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.69 2jas h GLU 149 Cb 3.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 31.42 2jas h GLU 149 CO -0.01 0.17 0.00 0.93 -1.40 0.00 0.00 179.01 178.70 2jas h GLU 150 N 0.00 0.00 -0.02 2.33 5.08 -0.22 -2.93 114.58 118.82 2jas h GLU 150 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jas h GLU 150 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jas h GLU 150 CO 0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 2jas n LEU 151 N -2.30 0.19 -0.03 1.33 4.77 -0.99 -4.22 117.00 115.75 2jas n LEU 151 Ca 0.03 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2jas n LEU 151 Cb 0.27 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 2jas n LEU 151 CO 0.22 0.04 -0.91 0.18 -1.33 0.00 0.00 177.39 175.59 2jas n LEU 152 N -0.60 2.65 -4.91 2.23 4.77 -1.11 -4.93 117.00 115.10 2jas n LEU 152 Ca 0.11 0.16 -0.27 0.00 -0.03 0.00 0.00 56.01 55.97 2jas n LEU 152 Cb 0.08 -1.07 0.06 0.00 -2.33 0.00 0.00 43.42 40.16 2jas n LEU 152 CO 0.08 0.83 0.65 0.27 -1.33 0.00 0.00 177.39 177.90 2jas s ILE 153 N -2.54 2.70 0.87 -0.08 -0.00 -1.26 -5.00 121.20 115.88 2jas s ILE 153 Ca -0.26 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.65 60.22 2jas s ILE 153 Cb 0.07 -3.17 0.11 0.00 -0.00 0.00 0.00 42.46 39.48 2jas s ILE 153 CO 0.72 -0.19 1.15 -0.83 -0.00 0.00 0.00 174.94 175.79 2jas s GLY 154 N -4.46 1.58 0.34 6.27 0.00 -1.26 -4.97 107.32 104.82 2jas s GLY 154 Ca 0.59 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.77 2jas s GLY 154 CO 0.47 -0.03 1.99 0.83 0.00 0.00 0.00 173.10 176.36 2jas h GLU 155 N -1.31 0.87 -1.08 2.90 4.39 -1.99 -2.72 114.58 115.63 2jas h GLU 155 Ca -0.49 -0.05 0.32 0.00 0.34 0.00 0.00 59.36 59.48 2jas h GLU 155 Cb 1.33 -0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 29.66 2jas h GLU 155 CO 0.63 0.58 0.66 1.49 -1.16 0.00 0.00 179.01 181.21 2jas h GLU 156 N 0.90 0.31 0.03 2.33 4.81 -1.99 -1.30 114.58 119.67 2jas h GLU 156 Ca 0.26 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2jas h GLU 156 Cb -0.03 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2jas h GLU 156 CO -0.07 0.20 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.48 2jas h TYR 157 N 0.32 -0.04 -0.27 0.92 3.20 -1.86 -2.49 116.97 116.74 2jas h TYR 157 Ca 0.71 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.46 2jas h TYR 157 Cb 1.78 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 2jas h TYR 157 CO -0.01 0.06 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.79 2jas h TRP 158 N -0.13 0.64 -0.18 -3.82 4.06 -1.43 -2.02 115.95 113.07 2jas h TRP 158 Ca -0.00 -0.15 0.05 0.00 2.06 0.00 0.00 58.89 60.84 2jas h TRP 158 Cb 0.12 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.07 2jas h TRP 158 CO -0.05 0.79 -0.17 0.93 -3.56 0.00 0.00 178.44 176.38 2jas h GLU 159 N 0.48 -0.18 -0.21 0.49 4.39 -1.28 -1.69 114.58 116.58 2jas h GLU 159 Ca 0.06 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2jas h GLU 159 Cb 0.75 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2jas h GLU 159 CO 0.06 -0.12 -0.34 1.15 -1.16 0.00 0.00 179.01 178.59 2jas h THR 160 N -0.19 1.29 -0.26 1.13 2.02 -1.29 -2.22 112.91 113.39 2jas h THR 160 Ca 0.11 -1.43 -0.17 0.00 0.77 0.00 0.00 66.41 65.69 2jas h THR 160 Cb 0.36 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jas h THR 160 CO -0.29 0.45 -0.50 0.25 0.37 0.00 0.00 175.52 175.79 2jas h LEU 161 N 0.37 0.80 -0.02 2.58 5.85 -1.17 -0.26 115.31 123.46 2jas h LEU 161 Ca 0.04 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2jas h LEU 161 Cb 0.78 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2jas h LEU 161 CO 0.06 1.16 -0.01 -1.13 -0.34 0.00 0.00 178.44 178.18 2jas h ASN 162 N 0.57 0.05 -0.73 1.25 -1.24 -1.25 0.14 115.58 114.38 2jas h ASN 162 Ca 0.02 -0.43 0.16 0.00 0.71 0.00 0.00 56.30 56.77 2jas h ASN 162 Cb 1.07 -0.02 -0.12 0.00 0.73 0.00 0.00 38.32 39.99 2jas h ASN 162 CO 0.10 0.47 0.10 0.50 -1.29 0.00 0.00 177.43 177.31 2jas h LYS 163 N -0.36 0.18 0.00 6.67 3.64 -1.37 -0.11 116.57 125.22 2jas h LYS 163 Ca 0.01 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2jas h LYS 163 Cb 0.45 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2jas h LYS 163 CO 0.00 0.12 -0.32 -0.91 -2.27 0.00 0.00 179.45 176.08 2jas h ASN 164 N 0.19 0.00 -0.24 4.20 2.35 -0.87 -1.85 115.58 119.36 2jas h ASN 164 Ca 0.41 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.12 2jas h ASN 164 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 2jas h ASN 164 CO -0.57 0.32 -0.00 1.88 -1.65 0.00 0.00 177.43 177.41 2jas h TYR 165 N 0.00 0.46 -0.24 1.19 -1.99 0.81 -1.78 116.97 115.42 2jas h TYR 165 Ca -0.00 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.68 2jas h TYR 165 Cb 1.01 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.60 2jas h TYR 165 CO 0.00 0.60 0.06 1.49 -0.00 0.00 0.00 178.16 180.31 2jas h GLU 166 N 0.19 0.16 -0.46 4.88 4.57 -1.03 -1.79 114.58 121.11 2jas h GLU 166 Ca 0.07 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 2jas h GLU 166 Cb 0.41 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 2jas h GLU 166 CO 0.01 0.10 -0.03 1.49 -1.18 0.00 0.00 179.01 179.41 2jas h GLU 167 N 0.16 0.08 -0.40 1.92 4.57 -1.31 0.52 114.58 120.12 2jas h GLU 167 Ca 0.11 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2jas h GLU 167 Cb 0.09 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2jas h GLU 167 CO -0.13 0.05 0.21 0.35 -1.18 0.00 0.00 179.01 178.32 2jas h PHE 168 N 0.08 0.40 -0.19 0.92 3.57 -0.90 -1.60 116.94 119.22 2jas h PHE 168 Ca 0.23 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2jas h PHE 168 Cb 0.35 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2jas h PHE 168 CO -0.32 0.22 0.11 -0.92 -2.23 0.00 0.00 178.31 175.16 2jas h TYR 169 N 0.43 0.26 -0.63 0.41 3.20 -0.55 0.15 116.97 120.25 2jas h TYR 169 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2jas h TYR 169 Cb 0.05 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2jas h TYR 169 CO -0.09 0.24 0.22 0.87 -1.64 0.00 0.00 178.16 177.76 2jas h LYS 170 N 0.21 0.96 0.00 1.82 1.57 -0.74 -2.52 116.57 117.88 2jas h LYS 170 Ca 0.07 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 2jas h LYS 170 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2jas h LYS 170 CO -0.01 0.83 -0.44 1.96 -0.57 0.00 0.00 179.45 181.23 2jas h GLN 171 N 0.89 0.00 -6.59 3.15 4.20 -1.25 -3.47 115.11 112.03 2jas h GLN 171 Ca 0.21 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.46 2jas h GLN 171 Cb 0.25 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.89 2jas h GLN 171 CO -0.01 0.44 -0.72 -1.71 -0.67 0.00 0.00 178.83 176.16 2jas n ASN 172 N -3.42 0.36 -0.34 1.46 5.15 0.52 -4.78 115.26 114.22 2jas n ASN 172 Ca 0.01 -0.95 0.19 0.00 -0.60 0.00 0.00 54.58 53.23 2jas n ASN 172 Cb 0.60 -1.17 0.41 0.00 -0.53 0.00 0.00 39.78 39.08 2jas n ASN 172 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2jas h VAL 173 N -1.07 0.47 -0.46 3.44 2.07 -1.90 -0.55 116.25 118.26 2jas h VAL 173 Ca -0.49 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2jas h VAL 173 Cb 1.03 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2jas h VAL 173 CO 0.51 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.97 2jas n TYR 174 N -4.93 0.61 -3.79 1.57 4.02 -1.26 -4.94 117.16 108.44 2jas n TYR 174 Ca 0.28 -0.31 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2jas n TYR 174 Cb 0.81 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.16 2jas n TYR 174 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2jas n ASP 175 N 0.99 -3.64 -4.75 7.72 2.03 -0.21 -4.94 116.55 113.76 2jas n ASP 175 Ca 0.18 -0.76 -0.40 0.00 0.52 0.00 0.00 54.79 54.33 2jas n ASP 175 Cb 0.45 -4.11 0.03 0.00 -0.72 0.00 0.00 41.12 36.76 2jas n ASP 175 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jas n PHE 176 N -4.56 2.47 -2.16 -0.67 0.99 -1.26 -4.91 117.46 107.35 2jas n PHE 176 Ca -0.09 0.44 -0.30 0.00 -0.00 0.00 0.00 57.45 57.50 2jas n PHE 176 Cb 0.59 -2.41 -0.05 0.00 -1.00 0.00 0.00 39.48 36.61 2jas n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2jas s PRO 177 N -2.56 2.79 0.14 -1.08 0.04 -1.26 -4.98 135.00 128.09 2jas s PRO 177 Ca 0.65 -0.55 -0.28 0.00 0.04 0.00 0.00 61.00 60.85 2jas s PRO 177 Cb -0.45 -5.14 -0.07 0.00 0.04 0.00 0.00 34.50 28.88 2jas s PRO 177 CO 0.55 -3.16 0.89 -0.06 0.04 0.00 0.00 177.00 175.26 2jas s PHE 178 N 9.01 3.86 -0.11 0.56 2.99 -1.26 -0.65 117.98 132.39 2jas s PHE 178 Ca 0.65 1.75 -0.00 0.00 0.00 0.00 0.00 56.93 59.33 2jas s PHE 178 Cb -0.05 -2.95 0.02 0.00 0.00 0.00 0.00 43.02 40.05 2jas s PHE 178 CO -0.01 0.34 -0.08 0.12 -0.00 0.00 0.00 175.22 175.58 2jas s PHE 179 N -0.52 1.46 -0.24 0.36 5.36 -0.60 -4.92 117.98 118.88 2jas s PHE 179 Ca 0.42 -0.71 -0.17 0.00 -0.96 0.00 0.00 56.93 55.52 2jas s PHE 179 Cb -0.24 -1.21 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 2jas s PHE 179 CO 0.29 -0.49 0.44 0.08 -1.46 0.00 0.00 175.22 174.08 2jas s VAL 180 N 1.63 5.14 -0.11 3.12 1.01 -1.26 -0.60 120.40 129.33 2jas s VAL 180 Ca 0.03 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.78 2jas s VAL 180 Cb -0.13 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2jas s VAL 180 CO -0.07 0.16 -0.13 -0.69 0.00 0.00 0.00 175.10 174.37 2jas s VAL 181 N 1.89 3.12 -1.01 2.92 1.01 -0.67 -4.98 120.40 122.68 2jas s VAL 181 Ca 0.19 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 2jas s VAL 181 Cb -0.15 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2jas s VAL 181 CO 0.09 0.54 1.59 -0.62 0.00 0.00 0.00 175.10 176.70 2jas s ASP 182 N 0.01 6.18 0.00 3.32 -1.08 -1.26 -2.46 116.67 121.38 2jas s ASP 182 Ca -0.04 -1.33 0.00 0.00 -0.52 0.00 0.00 52.55 50.67 2jas s ASP 182 Cb -0.14 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2jas s ASP 182 CO 0.04 -1.81 0.46 0.00 0.52 0.00 0.00 175.17 174.38 2jas n ALA 183 N 10.14 1.95 0.11 3.66 0.00 -0.80 -1.31 120.51 134.27 2jas n ALA 183 Ca 0.36 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.83 2jas n ALA 183 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2jas n ALA 183 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jas h GLU 184 N 0.05 0.00 -7.22 0.00 4.39 -1.89 -3.46 114.58 106.45 2jas h GLU 184 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 2jas h GLU 184 Cb 0.02 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 28.81 2jas h GLU 184 CO 0.00 0.34 0.35 -0.51 -1.16 0.00 0.00 179.01 178.03 2jas s LEU 185 N -6.11 3.25 0.87 1.33 1.43 -0.43 -5.02 118.68 114.00 2jas s LEU 185 Ca 0.02 2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 2jas s LEU 185 Cb 0.08 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.85 2jas s LEU 185 CO 0.76 -2.03 1.11 1.51 0.23 0.00 0.00 176.35 177.93 2jas s ASP 186 N -2.60 3.82 0.22 2.29 1.47 -1.26 -4.80 116.67 115.80 2jas s ASP 186 Ca 0.68 1.22 -0.08 0.00 1.18 0.00 0.00 52.55 55.54 2jas s ASP 186 Cb -0.22 -1.88 0.30 0.00 -0.34 0.00 0.00 42.92 40.77 2jas s ASP 186 CO 0.47 -2.38 1.76 0.58 0.68 0.00 0.00 175.17 176.28 2jas h VAL 187 N -1.38 0.81 -0.50 2.11 2.07 -1.96 -1.95 116.25 115.46 2jas h VAL 187 Ca -0.49 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 66.96 2jas h VAL 187 Cb 1.30 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 2jas h VAL 187 CO 0.59 0.09 -0.05 0.11 0.02 0.00 0.00 177.57 178.33 2jas h LYS 188 N 0.50 0.06 -0.20 1.57 1.57 -2.01 -2.55 116.57 115.52 2jas h LYS 188 Ca 0.32 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 2jas h LYS 188 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jas h LYS 188 CO -0.28 0.04 -0.03 1.15 -0.57 0.00 0.00 179.45 179.76 2jas h THR 189 N 0.06 1.27 -0.11 -0.16 2.02 -1.72 -2.83 112.91 111.45 2jas h THR 189 Ca 0.25 -0.96 0.04 0.00 0.77 0.00 0.00 66.41 66.51 2jas h THR 189 Cb 0.38 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 2jas h THR 189 CO -0.46 0.29 -0.32 1.56 0.37 0.00 0.00 175.52 176.96 2jas h GLN 190 N 0.11 -0.40 -0.91 6.66 4.20 -1.40 -1.98 115.11 121.39 2jas h GLN 190 Ca 0.05 0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.02 2jas h GLN 190 Cb 0.45 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.20 2jas h GLN 190 CO 0.02 -0.26 0.41 0.82 -0.67 0.00 0.00 178.83 179.14 2jas h ILE 191 N -0.41 0.47 0.96 2.54 1.08 -1.40 -1.79 117.51 118.95 2jas h ILE 191 Ca 0.09 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 2jas h ILE 191 Cb 0.55 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2jas h ILE 191 CO -0.34 0.07 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.41 2jas h GLU 192 N 0.41 -1.24 -0.54 2.37 5.08 -1.11 0.50 114.58 120.04 2jas h GLU 192 Ca 0.57 0.08 0.10 0.00 -1.00 0.00 0.00 59.36 59.12 2jas h GLU 192 Cb 1.10 0.28 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 2jas h GLU 192 CO -0.53 -0.83 0.36 -0.07 -1.00 0.00 0.00 179.01 176.95 2jas h LEU 193 N -1.34 0.27 0.32 1.33 3.38 -1.23 0.19 115.31 118.24 2jas h LEU 193 Ca -0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2jas h LEU 193 Cb 0.99 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2jas h LEU 193 CO 0.22 0.16 -0.15 0.40 0.09 0.00 0.00 178.44 179.15 2jas h ILE 194 N 0.30 0.63 0.00 1.22 2.04 -1.17 -1.97 117.51 118.56 2jas h ILE 194 Ca 0.25 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2jas h ILE 194 Cb 0.58 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2jas h ILE 194 CO -0.06 0.11 -0.13 0.24 0.00 0.00 0.00 178.15 178.32 2jas h MET 195 N -0.82 0.00 -0.14 2.37 2.86 -0.20 0.82 114.93 119.82 2jas h MET 195 Ca -0.04 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 2jas h MET 195 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2jas h MET 195 CO 0.07 0.13 -0.58 -0.91 1.06 0.00 0.00 176.91 176.68 2jas h ASN 196 N 0.00 0.52 -0.07 1.22 2.35 -0.67 -2.97 115.58 115.96 2jas h ASN 196 Ca -0.00 -0.28 -0.20 0.00 -0.55 0.00 0.00 56.30 55.26 2jas h ASN 196 Cb 0.22 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.46 2jas h ASN 196 CO 0.02 0.98 -0.74 0.50 -1.65 0.00 0.00 177.43 176.53 2jas h LYS 197 N 0.35 0.62 0.00 0.81 1.63 -0.47 -3.21 116.57 116.30 2jas h LYS 197 Ca 0.00 -0.58 -0.01 0.00 -0.85 0.00 0.00 60.65 59.21 2jas h LYS 197 Cb 1.11 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2jas h LYS 197 CO 0.10 1.19 -0.04 -0.07 -3.45 0.00 0.00 179.45 177.19 2jas h LEU 198 N 0.26 0.00 -1.08 5.20 3.38 -0.94 -2.67 115.31 119.45 2jas h LEU 198 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jas h LEU 198 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2jas h LEU 198 CO 0.15 0.04 0.00 0.59 0.09 0.00 0.00 178.44 179.31 2jas n ASN 199 N -3.86 0.75 0.00 -0.43 5.03 -1.12 -5.09 115.26 110.53 2jas n ASN 199 Ca -0.03 -1.28 0.00 0.00 0.87 0.00 0.00 54.58 54.14 2jas n ASN 199 Cb 0.13 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 2jas n ASN 199 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89