#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 3.09 -0.09 2.12 1.02 -1.26 -2.85 119.74 121.77 2jas s LYS 2 Ca 0.00 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.12 2jas s LYS 2 Cb 0.00 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2jas s LYS 2 CO 0.00 -0.51 -0.11 0.42 -0.92 0.00 0.00 175.35 174.23 2jas s ILE 3 N 1.55 3.31 -0.02 2.17 1.01 0.39 -1.14 121.20 128.47 2jas s ILE 3 Ca 0.03 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.13 2jas s ILE 3 Cb -0.18 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2jas s ILE 3 CO 0.05 0.56 -0.18 0.00 0.00 0.00 0.00 174.94 175.36 2jas s ALA 4 N -0.24 1.55 -0.17 9.38 0.00 -0.74 0.02 121.76 131.56 2jas s ALA 4 Ca 0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2jas s ALA 4 Cb -0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2jas s ALA 4 CO 0.03 0.35 -0.10 0.42 0.00 0.00 0.00 175.76 176.46 2jas s ILE 5 N -0.30 3.14 -0.06 0.00 1.01 0.16 -0.44 121.20 124.71 2jas s ILE 5 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2jas s ILE 5 Cb -0.08 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2jas s ILE 5 CO 0.00 0.49 -0.16 0.12 0.00 0.00 0.00 174.94 175.39 2jas s PHE 6 N 0.85 1.70 0.00 3.97 5.36 0.24 -1.29 117.98 128.81 2jas s PHE 6 Ca -0.03 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 2jas s PHE 6 Cb -0.15 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 2jas s PHE 6 CO 0.01 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 2jas n GLY 7 N 3.55 1.00 3.83 13.12 0.00 -1.26 -0.18 105.19 125.25 2jas n GLY 7 Ca -0.21 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 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 2.18 0.07 2.61 -1.32 -1.26 -4.91 115.64 111.00 2jas s THR 8 Ca 0.00 0.06 -0.31 0.00 -1.21 0.00 0.00 61.69 60.23 2jas s THR 8 Cb 0.00 -2.91 -0.09 0.00 -1.51 0.00 0.00 72.50 67.99 2jas s THR 8 CO 0.00 -0.08 1.80 -0.69 -2.21 0.00 0.00 174.62 173.44 2jas s VAL 9 N -3.38 2.89 0.00 5.08 1.01 -1.26 -1.68 120.40 123.06 2jas s VAL 9 Ca 0.63 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2jas s VAL 9 Cb -0.13 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2jas s VAL 9 CO 0.52 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2jas n GLY 10 N 4.23 0.63 0.24 4.51 0.00 -1.26 -4.75 105.19 108.78 2jas n GLY 10 Ca 0.18 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 1.00 -0.09 4.61 0.00 -1.64 -3.39 119.26 119.75 2jas h ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jas h ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jas h ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jas n GLY 12 N 0.68 1.32 0.21 0.00 0.00 -1.26 -4.96 105.19 101.19 2jas n GLY 12 Ca 0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 0.67 -0.14 1.61 1.57 -1.91 -2.20 116.57 116.16 2jas h LYS 13 Ca 0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jas h LYS 13 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2jas h LYS 13 CO 0.00 0.56 0.08 0.66 -0.57 0.00 0.00 179.45 180.18 2jas h SER 14 N 0.61 0.18 -0.05 0.86 4.64 -1.98 0.13 113.55 117.95 2jas h SER 14 Ca 0.16 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2jas h SER 14 Cb 0.11 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 2jas h SER 14 CO -0.02 0.23 -0.23 0.74 -0.87 0.00 0.00 176.83 176.67 2jas h THR 15 N 0.12 0.45 -0.01 2.95 2.02 -1.98 -0.80 112.91 115.67 2jas h THR 15 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2jas h THR 15 Cb 0.09 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jas h THR 15 CO -0.01 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.29 2jas h ILE 16 N -0.34 1.01 -0.84 3.11 5.03 -1.21 -1.67 117.51 122.61 2jas h ILE 16 Ca 0.08 -0.02 0.07 0.00 -0.12 0.00 0.00 64.86 64.86 2jas h ILE 16 Cb 0.45 1.00 -0.06 0.00 -3.03 0.00 0.00 36.82 35.18 2jas h ILE 16 CO -0.24 0.01 0.51 0.77 -0.68 0.00 0.00 178.15 178.51 2jas h SER 17 N 0.01 0.78 -0.58 1.72 4.64 -0.61 -1.31 113.55 118.21 2jas h SER 17 Ca 0.00 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jas h SER 17 Cb 0.01 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 2jas h SER 17 CO -0.00 0.49 0.35 0.00 -0.87 0.00 0.00 176.83 176.80 2jas h ALA 18 N 1.41 0.74 -0.10 5.18 0.00 -0.86 -1.39 119.26 124.24 2jas h ALA 18 Ca 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jas h ALA 18 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jas h ALA 18 CO -0.19 0.22 0.06 0.93 0.00 0.00 0.00 179.25 180.27 2jas h GLU 19 N 0.78 0.15 -0.13 0.00 4.39 -0.72 -1.49 114.58 117.56 2jas h GLU 19 Ca 0.21 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2jas h GLU 19 Cb -0.02 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2jas h GLU 19 CO -0.04 0.18 -0.03 0.82 -1.16 0.00 0.00 179.01 178.79 2jas h ILE 20 N 0.07 0.88 -0.89 3.13 2.04 -1.12 -1.77 117.51 119.84 2jas h ILE 20 Ca 0.04 -0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 2jas h ILE 20 Cb 0.08 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 2jas h ILE 20 CO -0.01 0.00 0.51 -1.28 0.00 0.00 0.00 178.15 177.38 2jas h SER 21 N 0.01 0.69 -0.78 1.72 0.87 -1.22 0.10 113.55 114.95 2jas h SER 21 Ca 0.06 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2jas h SER 21 Cb 0.09 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 2jas h SER 21 CO -0.13 0.34 0.50 0.50 -0.53 0.00 0.00 176.83 177.52 2jas h LYS 22 N 0.77 0.97 0.02 2.24 3.11 -0.41 0.62 116.57 123.91 2jas h LYS 22 Ca 0.46 -0.06 -0.27 0.00 -2.81 0.00 0.00 60.65 57.98 2jas h LYS 22 Cb 0.55 -0.22 0.02 0.00 -1.00 0.00 0.00 32.23 31.58 2jas h LYS 22 CO -0.31 0.64 -1.07 0.87 -2.81 0.00 0.00 179.45 176.78 2jas h LYS 23 N 1.00 0.63 0.00 1.90 1.57 -0.86 -3.40 116.57 117.41 2jas h LYS 23 Ca 0.30 -0.71 -0.24 0.00 -1.87 0.00 0.00 60.65 58.13 2jas h LYS 23 Cb -0.04 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2jas h LYS 23 CO -0.09 1.29 -2.14 1.28 -0.57 0.00 0.00 179.45 179.22 2jas n LEU 24 N -3.82 0.00 0.00 2.94 4.77 0.28 -5.01 117.00 116.16 2jas n LEU 24 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2jas n LEU 24 Cb 0.90 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 42.31 2jas n LEU 24 CO 0.55 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2jas n GLY 25 N 1.76 0.82 3.77 -0.72 0.00 0.21 -5.04 105.19 105.99 2jas n GLY 25 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.49 3.02 0.19 1.61 4.12 -1.26 -4.98 117.35 117.56 2jas s TYR 26 Ca 0.00 1.55 -0.30 0.00 0.02 0.00 0.00 57.07 58.34 2jas s TYR 26 Cb 0.00 -3.37 -0.08 0.00 -1.52 0.00 0.00 41.96 36.99 2jas s TYR 26 CO 0.00 -1.33 1.25 -2.00 0.02 0.00 0.00 175.55 173.49 2jas s GLU 27 N -2.44 4.44 -0.05 -0.62 2.12 -1.26 -4.64 118.70 116.26 2jas s GLU 27 Ca 0.59 1.95 -0.18 0.00 0.36 0.00 0.00 54.97 57.69 2jas s GLU 27 Cb -0.29 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2jas s GLU 27 CO 0.37 -0.17 0.50 0.42 -0.54 0.00 0.00 175.26 175.84 2jas s ILE 28 N 0.06 5.04 -0.40 -3.70 1.01 -1.26 -1.38 121.20 120.58 2jas s ILE 28 Ca 0.55 1.02 -0.05 0.00 0.00 0.00 0.00 60.65 62.17 2jas s ILE 28 Cb -0.34 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.39 2jas s ILE 28 CO 0.37 0.43 0.20 -0.36 0.00 0.00 0.00 174.94 175.57 2jas s PHE 29 N -0.11 3.44 0.73 3.97 0.40 -0.42 -4.99 117.98 121.00 2jas s PHE 29 Ca 0.27 -2.00 -0.10 0.00 -0.60 0.00 0.00 56.93 54.50 2jas s PHE 29 Cb -0.17 -2.97 0.04 0.00 0.51 0.00 0.00 43.02 40.44 2jas s PHE 29 CO 0.13 -0.90 1.10 0.15 0.70 0.00 0.00 175.22 176.40 2jas s LYS 30 N 1.27 2.44 0.48 0.44 1.02 -1.26 -2.70 119.74 121.43 2jas s LYS 30 Ca 0.04 0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.20 2jas s LYS 30 Cb -0.23 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 2jas s LYS 30 CO -0.01 -1.24 0.74 -1.21 -0.92 0.00 0.00 175.35 172.70 2jas s GLU 31 N -5.39 3.16 -0.09 1.68 2.02 -1.26 -4.99 118.70 113.82 2jas s GLU 31 Ca 0.59 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 55.06 2jas s GLU 31 Cb -0.11 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 2jas s GLU 31 CO 0.49 -0.32 1.23 -1.25 0.02 0.00 0.00 175.26 175.43 2jas s PRO 32 N -4.67 4.31 0.00 0.39 0.04 -1.26 -4.76 135.00 129.05 2jas s PRO 32 Ca 0.49 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2jas s PRO 32 Cb -0.10 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2jas s PRO 32 CO 0.41 -0.54 0.00 0.28 0.04 0.00 0.00 177.00 177.19 2jas n VAL 33 N 4.87 0.00 0.08 -0.36 0.31 -1.26 -4.61 118.33 117.36 2jas n VAL 33 Ca 0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.22 2jas n VAL 33 Cb 0.46 -0.44 -0.15 0.00 -0.91 0.00 0.00 33.84 32.80 2jas n VAL 33 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2jas h GLU 34 N 0.00 0.41 -0.14 5.55 4.57 -2.05 -3.24 114.58 119.68 2jas h GLU 34 Ca 0.00 -0.70 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 2jas h GLU 34 Cb 0.84 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2jas h GLU 34 CO 0.00 1.33 0.00 0.39 -1.18 0.00 0.00 179.01 179.55 2jas n GLU 35 N -3.78 1.40 -2.86 1.92 1.02 -1.26 -4.80 120.64 112.28 2jas n GLU 35 Ca -0.21 -0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 55.89 2jas n GLU 35 Cb 1.02 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 31.17 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 -1.23 6.52 0.00 1.62 3.84 -1.23 -4.93 114.94 119.53 2jas s ASN 36 Ca 0.19 0.18 0.20 0.00 0.21 0.00 0.00 52.86 53.65 2jas s ASN 36 Cb 0.10 -2.43 0.94 0.00 -0.55 0.00 0.00 41.25 39.30 2jas s ASN 36 CO 0.15 -0.95 1.65 -0.81 -2.79 0.00 0.00 177.10 174.35 2jas n PRO 37 N 6.92 0.12 0.00 0.43 -0.04 -1.26 -2.66 135.00 138.50 2jas n PRO 37 Ca 0.05 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2jas n PRO 37 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.42 0.00 0.21 0.54 4.02 -1.26 -4.75 117.16 114.50 2jas n TYR 38 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.83 2jas n TYR 38 Cb 0.21 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.46 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 2.90 -1.03 -0.58 -0.72 3.57 -1.83 0.45 116.94 119.71 2jas h PHE 39 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2jas h PHE 39 Cb 0.73 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 2jas h PHE 39 CO 0.00 -0.49 0.34 1.49 -2.23 0.00 0.00 178.31 177.42 2jas h GLU 40 N -0.74 0.64 -0.67 1.11 4.81 -1.86 -2.82 114.58 115.05 2jas h GLU 40 Ca -0.05 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2jas h GLU 40 Cb 0.64 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 2jas h GLU 40 CO -0.05 0.42 0.28 1.96 -0.73 0.00 0.00 179.01 180.90 2jas h GLN 41 N 0.66 0.46 -0.16 1.92 4.20 -1.77 -1.87 115.11 118.55 2jas h GLN 41 Ca 0.24 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.95 2jas h GLN 41 Cb 0.07 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2jas h GLN 41 CO -0.12 0.31 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.42 2jas h TYR 42 N 0.48 -0.01 0.00 2.96 3.20 0.16 -0.91 116.97 122.85 2jas h TYR 42 Ca 0.34 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 2jas h TYR 42 Cb 0.42 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2jas h TYR 42 CO -0.15 -0.02 -0.51 1.88 -1.64 0.00 0.00 178.16 177.72 2jas h TYR 43 N 0.05 0.00 -0.12 -3.82 -1.99 -1.49 -2.56 116.97 107.04 2jas h TYR 43 Ca 0.07 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.66 2jas h TYR 43 Cb 0.09 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 2jas h TYR 43 CO -0.16 0.51 -0.54 0.87 -0.00 0.00 0.00 178.16 178.85 2jas h LYS 44 N 0.00 0.35 -1.31 4.88 1.57 -0.88 -3.41 116.57 117.78 2jas h LYS 44 Ca -0.01 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 2jas h LYS 44 Cb 1.00 0.02 -0.22 0.00 0.08 0.00 0.00 32.23 33.11 2jas h LYS 44 CO 0.07 0.80 -0.55 0.34 -0.57 0.00 0.00 179.45 179.54 2jas s ASP 45 N -6.90 -0.71 0.08 0.86 -1.08 -0.39 -5.06 116.67 103.47 2jas s ASP 45 Ca -0.05 -1.39 -0.32 0.00 -0.52 0.00 0.00 52.55 50.26 2jas s ASP 45 Cb 0.12 1.47 -0.16 0.00 -1.46 0.00 0.00 42.92 42.89 2jas s ASP 45 CO 0.81 -0.16 1.50 -0.07 0.52 0.00 0.00 175.17 177.77 2jas h LEU 46 N 6.36 -1.27 -0.97 -1.34 3.38 -1.68 -3.05 115.31 116.74 2jas h LEU 46 Ca 0.07 0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.39 2jas h LEU 46 Cb 1.11 0.42 -0.18 0.00 0.09 0.00 0.00 40.66 42.10 2jas h LEU 46 CO 0.12 -0.60 -0.04 0.11 0.09 0.00 0.00 178.44 178.12 2jas h LYS 47 N -0.91 0.02 0.00 1.13 1.57 -1.88 0.33 116.57 116.83 2jas h LYS 47 Ca -0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2jas h LYS 47 Cb 0.79 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2jas h LYS 47 CO -0.06 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.46 2jas n LYS 48 N -5.51 0.18 0.00 3.15 5.02 -1.19 -4.17 118.16 115.64 2jas n LYS 48 Ca 0.21 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2jas n LYS 48 Cb 0.67 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.04 0.00 -0.21 -0.18 -1.04 0.94 -4.78 114.28 106.97 2jas n THR 49 Ca 0.05 -0.24 0.01 0.00 -2.04 0.00 0.00 64.05 61.84 2jas n THR 49 Cb 0.37 0.74 0.12 0.00 -1.82 0.00 0.00 70.33 69.75 2jas n THR 49 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jas h VAL 50 N 0.00 0.69 -0.13 12.58 2.07 -1.09 0.60 116.25 130.97 2jas h VAL 50 Ca 0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2jas h VAL 50 Cb 0.00 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2jas h VAL 50 CO 0.00 0.06 -0.08 -0.26 0.02 0.00 0.00 177.57 177.32 2jas h PHE 51 N 0.36 0.33 -0.54 1.57 -1.00 -1.86 0.12 116.94 115.91 2jas h PHE 51 Ca 0.33 -0.09 0.07 0.00 2.81 0.00 0.00 57.97 61.10 2jas h PHE 51 Cb 0.47 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.89 2jas h PHE 51 CO -0.20 0.63 0.22 0.87 -1.61 0.00 0.00 178.31 178.22 2jas h LYS 52 N -0.08 0.41 -0.13 1.51 1.57 -1.75 -0.88 116.57 117.23 2jas h LYS 52 Ca 0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jas h LYS 52 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2jas h LYS 52 CO 0.02 0.27 0.08 1.98 -0.57 0.00 0.00 179.45 181.23 2jas h MET 53 N 0.42 0.17 -0.24 3.15 4.05 0.37 -2.35 114.93 120.50 2jas h MET 53 Ca 0.26 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.66 2jas h MET 53 Cb 0.26 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2jas h MET 53 CO -0.24 0.15 0.15 1.96 0.23 0.00 0.00 176.91 179.16 2jas h GLN 54 N 0.14 0.33 -0.65 0.39 1.08 -0.42 -1.55 115.11 114.43 2jas h GLN 54 Ca 0.05 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2jas h GLN 54 Cb 0.02 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 2jas h GLN 54 CO -0.01 0.25 0.38 0.82 -0.95 0.00 0.00 178.83 179.32 2jas h ILE 55 N 0.31 1.02 -0.41 2.54 2.04 -1.08 -1.03 117.51 120.89 2jas h ILE 55 Ca 0.09 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2jas h ILE 55 Cb 0.01 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 2jas h ILE 55 CO -0.02 0.13 0.27 0.22 0.00 0.00 0.00 178.15 178.75 2jas h TYR 56 N 0.72 0.51 -0.23 1.37 3.20 -1.19 -2.55 116.97 118.80 2jas h TYR 56 Ca 0.28 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2jas h TYR 56 Cb 0.11 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2jas h TYR 56 CO -0.07 0.31 0.03 0.52 -1.64 0.00 0.00 178.16 177.32 2jas h MET 57 N 0.55 0.38 -0.33 1.82 2.86 -0.43 -0.29 114.93 119.48 2jas h MET 57 Ca 0.15 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2jas h MET 57 Cb -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2jas h MET 57 CO -0.04 0.52 0.03 -0.07 1.06 0.00 0.00 176.91 178.41 2jas h LEU 58 N 0.17 0.47 -0.14 1.22 3.38 -1.25 0.19 115.31 119.35 2jas h LEU 58 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jas h LEU 58 Cb 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jas h LEU 58 CO 0.01 0.51 0.05 0.74 0.09 0.00 0.00 178.44 179.84 2jas h THR 59 N 0.49 1.17 -0.12 0.22 2.02 -1.16 -1.92 112.91 113.61 2jas h THR 59 Ca 0.11 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2jas h THR 59 Cb 0.27 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2jas h THR 59 CO 0.00 0.15 -0.04 0.00 0.37 0.00 0.00 175.52 176.01 2jas h ALA 60 N 0.88 0.06 -0.51 6.16 0.00 -0.35 -2.58 119.26 122.93 2jas h ALA 60 Ca 0.05 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2jas h ALA 60 Cb 0.20 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2jas h ALA 60 CO -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 179.25 178.76 2jas h ARG 61 N -0.02 0.13 -0.18 0.00 2.47 -0.90 -0.74 114.38 115.15 2jas h ARG 61 Ca 0.06 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2jas h ARG 61 Cb 0.12 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2jas h ARG 61 CO -0.14 0.08 0.09 1.03 0.56 0.00 0.00 179.97 181.60 2jas h SER 62 N 0.13 0.21 -0.13 7.04 0.87 -1.15 0.31 113.55 120.82 2jas h SER 62 Ca 0.26 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2jas h SER 62 Cb 0.39 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2jas h SER 62 CO -0.41 0.18 -0.32 0.11 -0.53 0.00 0.00 176.83 175.86 2jas h LYS 63 N 0.24 0.45 -0.73 2.24 1.57 -0.79 -2.03 116.57 117.52 2jas h LYS 63 Ca 0.06 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2jas h LYS 63 Cb 0.02 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2jas h LYS 63 CO -0.01 0.92 0.45 1.96 -0.57 0.00 0.00 179.45 182.20 2jas h GLN 64 N 0.04 0.84 0.16 3.15 4.20 -0.51 -2.11 115.11 120.88 2jas h GLN 64 Ca -0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2jas h GLN 64 Cb 0.93 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2jas h GLN 64 CO 0.07 0.55 -0.18 1.25 -0.67 0.00 0.00 178.83 179.85 2jas h LEU 65 N 0.86 -0.49 -1.86 1.46 5.85 -0.98 -1.31 115.31 118.85 2jas h LEU 65 Ca 0.31 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.07 2jas h LEU 65 Cb 0.07 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2jas h LEU 65 CO -0.13 -0.27 0.00 0.29 -0.34 0.00 0.00 178.44 177.99 2jas n LYS 66 N -5.31 0.70 0.00 1.25 5.02 -0.76 -1.60 118.16 117.46 2jas n LYS 66 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2jas n LYS 66 Cb 0.22 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2jas n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jas n GLN 67 N 0.58 1.58 0.00 1.97 10.64 -0.95 -4.87 117.38 126.32 2jas n GLN 67 Ca 0.00 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.23 2jas n GLN 67 Cb 0.33 -0.13 0.01 0.00 -0.86 0.00 0.00 30.24 29.58 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 0.00 2.85 -0.15 2.61 0.00 -0.53 -4.74 120.51 120.55 2jas n ALA 68 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 2jas n ALA 68 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 19.45 19.04 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 1.56 -0.13 -0.01 0.00 1.57 -1.53 -2.92 116.57 115.12 2jas h LYS 69 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jas h LYS 69 Cb 0.43 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2jas h LYS 69 CO 0.00 -0.09 -0.26 0.09 -0.57 0.00 0.00 179.45 178.63 2jas n ASN 70 N -5.41 0.98 -4.71 0.86 4.13 -1.26 -4.91 115.26 104.94 2jas n ASN 70 Ca 0.03 -0.85 -0.42 0.00 1.68 0.00 0.00 54.58 55.02 2jas n ASN 70 Cb 0.32 0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.66 2jas n ASN 70 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jas s LEU 71 N -2.52 4.35 0.05 3.41 1.43 -1.10 -4.96 118.68 119.34 2jas s LEU 71 Ca 0.24 1.84 -0.25 0.00 -1.03 0.00 0.00 54.13 54.93 2jas s LEU 71 Cb 0.19 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.67 2jas s LEU 71 CO 0.52 -0.41 1.55 -0.33 0.23 0.00 0.00 176.35 177.92 2jas h GLU 72 N 6.89 -0.09 -5.02 1.70 5.08 -1.91 -3.42 114.58 117.82 2jas h GLU 72 Ca -0.40 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.31 2jas h GLU 72 Cb 1.21 0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.21 2jas h GLU 72 CO 0.80 0.10 -0.71 -0.80 -1.00 0.00 0.00 179.01 177.40 2jas s ASN 73 N -5.28 4.40 0.05 1.42 0.01 -1.26 -3.10 114.94 111.18 2jas s ASN 73 Ca -0.14 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 51.68 2jas s ASN 73 Cb 0.04 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.92 2jas s ASN 73 CO 0.65 -0.00 -0.10 0.27 -1.51 0.00 0.00 177.10 176.41 2jas s ILE 74 N 1.39 0.71 -0.21 0.60 -4.36 -1.13 -4.46 121.20 113.74 2jas s ILE 74 Ca 0.05 -1.15 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2jas s ILE 74 Cb -0.14 -0.75 0.04 0.00 1.25 0.00 0.00 42.46 42.86 2jas s ILE 74 CO -0.02 -0.34 -0.16 -0.63 0.24 0.00 0.00 174.94 174.03 2jas s ILE 75 N -1.36 2.06 -0.37 8.37 1.01 -0.48 -0.46 121.20 129.98 2jas s ILE 75 Ca -0.08 -1.19 -0.13 0.00 0.00 0.00 0.00 60.65 59.25 2jas s ILE 75 Cb -0.10 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.38 2jas s ILE 75 CO 0.01 0.31 0.25 -0.36 0.00 0.00 0.00 174.94 175.15 2jas s PHE 76 N 1.23 3.23 -0.82 3.97 0.40 0.10 -1.30 117.98 124.79 2jas s PHE 76 Ca -0.00 -0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 55.57 2jas s PHE 76 Cb -0.16 -2.50 -0.08 0.00 0.51 0.00 0.00 43.02 40.79 2jas s PHE 76 CO -0.10 -0.50 2.12 0.34 0.70 0.00 0.00 175.22 177.78 2jas s ASP 77 N 1.67 4.70 0.00 1.36 -1.08 -1.10 0.37 116.67 122.60 2jas s ASP 77 Ca 0.05 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 2jas s ASP 77 Cb -0.18 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2jas s ASP 77 CO 0.09 -3.09 0.00 -1.14 0.52 0.00 0.00 175.17 171.55 2jas n ARG 78 N 8.88 -0.02 -2.82 4.34 0.63 -0.41 -4.55 116.66 122.71 2jas n ARG 78 Ca 0.40 0.01 -0.20 0.00 -0.92 0.00 0.00 57.85 57.15 2jas n ARG 78 Cb 0.47 -0.02 0.05 0.00 0.45 0.00 0.00 32.46 33.41 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 -2.96 2.54 -1.83 5.15 -4.23 -1.26 -4.83 115.64 108.21 2jas s THR 79 Ca 0.00 -0.82 0.30 0.00 -1.18 0.00 0.00 61.69 59.99 2jas s THR 79 Cb 0.00 -2.71 0.63 0.00 1.34 0.00 0.00 72.50 71.76 2jas s THR 79 CO 0.00 0.00 2.00 0.18 -0.54 0.00 0.00 174.62 176.26 2jas n LEU 80 N -2.28 0.36 -0.87 4.79 4.77 -1.26 -3.76 117.00 118.76 2jas n LEU 80 Ca 0.11 -0.01 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 2jas n LEU 80 Cb 0.60 -0.12 0.25 0.00 -2.33 0.00 0.00 43.42 41.83 2jas n LEU 80 CO 0.42 0.06 0.70 0.18 -1.33 0.00 0.00 177.39 177.42 2jas n LEU 81 N -0.89 3.84 -0.35 2.23 4.77 -1.26 -4.53 117.00 120.82 2jas n LEU 81 Ca 0.18 -3.06 0.05 0.00 -0.03 0.00 0.00 56.01 53.15 2jas n LEU 81 Cb 0.22 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2jas n LEU 81 CO 0.21 0.70 0.36 -0.62 -1.33 0.00 0.00 177.39 176.71 2jas n GLU 82 N -0.59 0.72 -0.24 3.23 1.02 -1.25 -4.55 120.64 118.98 2jas n GLU 82 Ca 0.22 -0.97 -0.02 0.00 -0.02 0.00 0.00 57.16 56.37 2jas n GLU 82 Cb 0.89 -1.16 0.18 0.00 -0.02 0.00 0.00 31.44 31.33 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 1.71 0.94 -0.05 1.62 3.32 -1.85 -2.53 116.42 119.58 2jas h ASP 83 Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2jas h ASP 83 Cb 0.38 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2jas h ASP 83 CO 0.00 0.76 0.09 -0.65 -1.72 0.00 0.00 179.24 177.71 2jas h PRO 84 N 1.07 0.00 -0.38 3.56 0.11 -1.94 -2.05 132.00 132.37 2jas h PRO 84 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2jas h PRO 84 Cb 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 2jas h PRO 84 CO -0.04 0.00 0.24 0.82 -0.21 0.00 0.00 178.00 178.80 2jas h ILE 85 N 0.00 1.11 -0.59 4.15 2.04 -1.77 -0.93 117.51 121.53 2jas h ILE 85 Ca 0.02 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2jas h ILE 85 Cb 0.20 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2jas h ILE 85 CO -0.00 0.11 0.07 -0.26 0.00 0.00 0.00 178.15 178.07 2jas h PHE 86 N 0.50 1.02 -0.51 1.37 -1.00 -1.49 -1.88 116.94 114.96 2jas h PHE 86 Ca 0.14 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 2jas h PHE 86 Cb -0.02 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.24 2jas h PHE 86 CO -0.04 0.88 -0.09 1.98 -1.61 0.00 0.00 178.31 179.43 2jas h MET 87 N 0.91 0.95 -0.91 1.51 4.05 -1.37 -2.74 114.93 117.33 2jas h MET 87 Ca 0.18 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 2jas h MET 87 Cb 0.43 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.12 2jas h MET 87 CO 0.01 1.01 0.51 -0.22 0.23 0.00 0.00 176.91 178.46 2jas h LYS 88 N 0.82 1.26 0.26 0.39 3.64 -0.84 -1.86 116.57 120.24 2jas h LYS 88 Ca 0.13 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2jas h LYS 88 Cb 0.64 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2jas h LYS 88 CO 0.04 0.92 -0.42 0.28 -2.27 0.00 0.00 179.45 178.00 2jas h VAL 89 N 1.27 0.16 -0.06 2.00 2.07 -1.21 -0.57 116.25 119.91 2jas h VAL 89 Ca 0.32 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.86 2jas h VAL 89 Cb 0.01 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2jas h VAL 89 CO -0.05 0.00 0.09 0.78 0.02 0.00 0.00 177.57 178.41 2jas h ASN 90 N -0.75 0.00 0.01 0.57 2.35 -1.18 -0.86 115.58 115.73 2jas h ASN 90 Ca -0.01 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2jas h ASN 90 Cb 0.71 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.09 2jas h ASN 90 CO -0.16 0.00 -0.43 0.22 -1.65 0.00 0.00 177.43 175.41 2jas h TYR 91 N 0.00 0.42 -0.93 1.19 3.20 -0.51 0.24 116.97 120.59 2jas h TYR 91 Ca 0.03 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.67 2jas h TYR 91 Cb 0.21 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2jas h TYR 91 CO 0.00 1.06 0.61 -0.44 -1.64 0.00 0.00 178.16 177.75 2jas h ASP 92 N -0.33 1.06 -0.19 -2.11 3.32 -0.11 -2.65 116.42 115.41 2jas h ASP 92 Ca -0.06 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2jas h ASP 92 Cb 1.18 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2jas h ASP 92 CO 0.09 0.77 0.00 0.18 -1.72 0.00 0.00 179.24 178.55 2jas n LEU 93 N -4.39 1.41 -2.06 1.55 4.77 -0.42 -4.91 117.00 112.94 2jas n LEU 93 Ca 0.11 -0.71 -0.17 0.00 -0.03 0.00 0.00 56.01 55.21 2jas n LEU 93 Cb 0.02 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2jas n LEU 93 CO 0.37 0.29 -0.19 0.59 -1.33 0.00 0.00 177.39 177.11 2jas n ASN 94 N 0.10 -4.72 0.13 -1.43 4.13 -1.00 -4.83 115.26 107.65 2jas n ASN 94 Ca 0.07 0.21 0.01 0.00 1.68 0.00 0.00 54.58 56.55 2jas n ASN 94 Cb 0.27 -4.07 0.02 0.00 -1.54 0.00 0.00 39.78 34.46 2jas n ASN 94 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2jas h ASN 95 N 0.00 0.00 -3.56 6.41 2.35 -0.80 -3.45 115.58 116.53 2jas h ASN 95 Ca -0.37 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 54.94 2jas h ASN 95 Cb 1.21 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.26 2jas h ASN 95 CO 0.48 0.56 -0.78 -0.69 -1.65 0.00 0.00 177.43 175.34 2jas s VAL 96 N -2.96 0.72 0.85 2.81 1.01 -0.85 -4.62 120.40 117.36 2jas s VAL 96 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2jas s VAL 96 Cb 0.08 -0.69 0.20 0.00 0.00 0.00 0.00 36.38 35.97 2jas s VAL 96 CO 0.75 0.25 1.07 -0.90 0.00 0.00 0.00 175.10 176.28 2jas n ASP 97 N 3.75 -0.28 -0.15 3.32 5.68 -1.26 -4.39 116.55 123.22 2jas n ASP 97 Ca -0.23 -1.34 -0.09 0.00 -0.50 0.00 0.00 54.79 52.63 2jas n ASP 97 Cb 0.52 -0.85 -0.00 0.00 -1.14 0.00 0.00 41.12 39.65 2jas n ASP 97 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2jas h GLN 98 N 0.00 0.67 0.63 0.11 -0.00 -2.00 -2.66 115.11 111.88 2jas h GLN 98 Ca -0.36 -0.15 -0.03 0.00 -0.00 0.00 0.00 58.65 58.11 2jas h GLN 98 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.38 2jas h GLN 98 CO 0.25 0.67 -0.35 1.15 0.00 0.00 0.00 178.83 180.55 2jas h THR 99 N 0.55 0.29 -0.84 2.39 2.02 -1.99 -0.89 112.91 114.44 2jas h THR 99 Ca 0.14 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.46 2jas h THR 99 Cb 0.29 0.29 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 2jas h THR 99 CO -0.00 0.00 0.43 0.44 0.37 0.00 0.00 175.52 176.76 2jas h ASP 100 N -0.91 0.52 -0.44 4.18 3.32 -1.93 0.36 116.42 121.52 2jas h ASP 100 Ca -0.08 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2jas h ASP 100 Cb 0.72 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 2jas h ASP 100 CO 0.11 0.22 0.27 0.22 -1.72 0.00 0.00 179.24 178.34 2jas h TYR 101 N 0.62 0.50 -0.37 4.55 3.20 -1.29 -0.20 116.97 123.99 2jas h TYR 101 Ca 0.46 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.23 2jas h TYR 101 Cb 0.64 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2jas h TYR 101 CO -0.09 0.30 -0.23 -0.97 -1.64 0.00 0.00 178.16 175.53 2jas h ASN 102 N 0.54 0.74 -0.02 -2.11 -1.24 0.73 -2.18 115.58 112.05 2jas h ASN 102 Ca 0.17 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 2jas h ASN 102 Cb -0.01 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 2jas h ASN 102 CO -0.07 0.95 0.01 0.74 -1.29 0.00 0.00 177.43 177.77 2jas h THR 103 N 0.64 1.08 -0.06 -3.57 2.02 -0.16 0.63 112.91 113.49 2jas h THR 103 Ca 0.09 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.08 2jas h THR 103 Cb 0.72 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 2jas h THR 103 CO 0.06 0.06 -0.26 0.22 0.37 0.00 0.00 175.52 175.96 2jas h TYR 104 N -0.06 -0.71 -0.28 3.16 3.20 -0.82 -1.30 116.97 120.17 2jas h TYR 104 Ca 0.01 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 2jas h TYR 104 Cb 0.09 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2jas h TYR 104 CO -0.05 -0.35 -0.43 0.82 -1.64 0.00 0.00 178.16 176.51 2jas h ILE 105 N -0.37 1.29 -0.95 1.81 2.04 -1.36 -0.33 117.51 119.64 2jas h ILE 105 Ca 0.08 -1.62 0.09 0.00 1.00 0.00 0.00 64.86 64.41 2jas h ILE 105 Cb 0.49 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 2jas h ILE 105 CO -0.27 0.52 0.61 -0.78 0.00 0.00 0.00 178.15 178.23 2jas h ASP 106 N 0.56 0.92 -0.18 1.72 3.58 -0.68 0.60 116.42 122.94 2jas h ASP 106 Ca 0.04 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 2jas h ASP 106 Cb 0.98 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2jas h ASP 106 CO 0.09 0.55 -0.21 0.15 -2.88 0.00 0.00 179.24 176.94 2jas h PHE 107 N 1.02 0.56 -0.08 0.28 3.57 -0.90 -2.91 116.94 118.48 2jas h PHE 107 Ca 0.43 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2jas h PHE 107 Cb 0.31 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2jas h PHE 107 CO -0.00 0.85 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.91 2jas h TYR 108 N 0.11 -0.25 0.39 0.41 3.20 -0.16 -0.47 116.97 120.19 2jas h TYR 108 Ca 0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2jas h TYR 108 Cb 0.77 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2jas h TYR 108 CO 0.09 -0.16 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.26 2jas h ASN 109 N -0.13 -0.72 0.31 -2.11 -0.26 -0.99 -0.15 115.58 111.52 2jas h ASN 109 Ca 0.07 0.05 -0.12 0.00 -0.56 0.00 0.00 56.30 55.74 2jas h ASN 109 Cb 0.23 0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 2jas h ASN 109 CO -0.16 -0.43 -0.47 0.78 -1.06 0.00 0.00 177.43 176.09 2jas h ASN 110 N -0.66 0.21 0.00 5.81 2.35 -1.47 -3.27 115.58 118.55 2jas h ASN 110 Ca -0.04 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2jas h ASN 110 Cb 0.56 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2jas h ASN 110 CO 0.01 0.65 -0.58 0.52 -1.65 0.00 0.00 177.43 176.39 2jas n VAL 111 N -3.98 1.05 0.18 2.81 0.31 -0.19 -4.54 118.33 113.97 2jas n VAL 111 Ca -0.02 0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 2jas n VAL 111 Cb 0.52 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.58 0.67 0.00 2.52 2.07 -1.17 -3.22 116.25 116.55 2jas h VAL 112 Ca 0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2jas h VAL 112 Cb 0.58 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2jas h VAL 112 CO 0.00 0.09 -0.13 -0.07 0.02 0.00 0.00 177.57 177.48 2jas h LEU 113 N -0.71 0.00 -9.31 2.57 3.38 -1.22 -3.39 115.31 106.63 2jas h LEU 113 Ca -0.05 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.37 2jas h LEU 113 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2jas h LEU 113 CO 0.08 0.13 0.73 -1.61 0.09 0.00 0.00 178.44 177.86 2jas s GLU 114 N -4.61 4.34 0.00 1.13 0.41 -1.22 -5.08 118.70 113.67 2jas s GLU 114 Ca -0.04 1.71 0.00 0.00 -0.41 0.00 0.00 54.97 56.23 2jas s GLU 114 Cb 0.15 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 2jas s GLU 114 CO 0.66 -0.48 0.00 0.27 -0.49 0.00 0.00 175.26 175.22 2jas n ASN 115 N 5.28 3.61 0.00 -0.19 0.23 -1.26 -4.89 115.26 118.04 2jas n ASN 115 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2jas n ASN 115 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2jas n ASN 115 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2jas n LYS 122 N 0.00 0.00 -3.79 -3.83 4.81 -1.26 -5.25 118.16 108.84 2jas n LYS 122 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 2jas n LYS 122 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2jas n LYS 122 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jas s LEU 123 N 0.00 4.38 -0.31 3.14 1.43 -1.26 -5.08 118.68 120.98 2jas s LEU 123 Ca 0.00 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2jas s LEU 123 Cb 0.00 -2.17 0.09 0.00 0.03 0.00 0.00 46.19 44.14 2jas s LEU 123 CO 0.00 0.36 0.05 -0.94 0.23 0.00 0.00 176.35 176.05 2jas s SER 124 N -0.83 4.34 0.23 2.29 1.04 -1.26 -5.11 113.70 114.39 2jas s SER 124 Ca 0.16 -1.79 -0.30 0.00 0.48 0.00 0.00 55.95 54.50 2jas s SER 124 Cb -0.13 -1.27 -0.09 0.00 0.10 0.00 0.00 66.02 64.64 2jas s SER 124 CO 0.05 -0.37 1.14 -0.36 0.98 0.00 0.00 173.24 174.68 2jas s PHE 125 N 1.25 3.51 0.10 5.02 0.40 -1.26 -4.83 117.98 122.17 2jas s PHE 125 Ca 0.07 1.58 0.19 0.00 -0.60 0.00 0.00 56.93 58.18 2jas s PHE 125 Cb -0.18 -3.34 0.61 0.00 0.51 0.00 0.00 43.02 40.61 2jas s PHE 125 CO -0.14 -0.82 1.70 -0.44 0.70 0.00 0.00 175.22 176.22 2jas h ASP 126 N 4.54 0.00 -3.38 1.36 3.32 -1.53 -3.44 116.42 117.29 2jas h ASP 126 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 2jas h ASP 126 Cb 1.21 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.53 2jas h ASP 126 CO 0.70 0.37 -0.13 -0.51 -1.72 0.00 0.00 179.24 177.95 2jas s ILE 127 N -3.49 -0.01 -0.34 0.35 2.07 -1.21 -4.82 121.20 113.74 2jas s ILE 127 Ca 0.01 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2jas s ILE 127 Cb 0.10 -0.77 0.08 0.00 0.13 0.00 0.00 42.46 42.00 2jas s ILE 127 CO 0.69 0.01 0.05 -0.69 -1.91 0.00 0.00 174.94 173.10 2jas s VAL 128 N 1.13 2.75 -0.62 4.00 1.01 -0.76 -1.78 120.40 126.12 2jas s VAL 128 Ca -0.07 -1.88 -0.24 0.00 0.00 0.00 0.00 61.98 59.79 2jas s VAL 128 Cb -0.06 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.58 2jas s VAL 128 CO -0.11 -0.40 0.99 -0.63 0.00 0.00 0.00 175.10 174.95 2jas s ILE 129 N 1.10 4.29 -0.58 2.22 1.01 0.41 -1.74 121.20 127.91 2jas s ILE 129 Ca 0.03 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.40 2jas s ILE 129 Cb -0.20 -4.64 0.03 0.00 0.01 0.00 0.00 42.46 37.65 2jas s ILE 129 CO -0.04 -1.35 1.19 -0.47 0.00 0.00 0.00 174.94 174.27 2jas s TYR 130 N 4.19 2.61 -0.98 3.97 5.04 -0.62 -0.60 117.35 130.96 2jas s TYR 130 Ca 0.27 0.41 -0.23 0.00 -2.44 0.00 0.00 57.07 55.08 2jas s TYR 130 Cb -0.14 -4.51 0.03 0.00 0.35 0.00 0.00 41.96 37.69 2jas s TYR 130 CO 0.15 -1.58 1.52 -0.51 -1.34 0.00 0.00 175.55 173.79 2jas s LEU 131 N 4.93 3.43 -0.25 6.97 1.43 0.75 -1.47 118.68 134.46 2jas s LEU 131 Ca 0.43 -1.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.03 2jas s LEU 131 Cb -0.07 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 2jas s LEU 131 CO 0.25 -1.73 0.83 -0.60 0.23 0.00 0.00 176.35 175.33 2jas s ARG 132 N 5.36 4.15 0.11 1.70 3.52 -0.83 -4.62 118.95 128.34 2jas s ARG 132 Ca 0.49 0.90 0.04 0.00 -0.13 0.00 0.00 55.73 57.03 2jas s ARG 132 Cb -0.02 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 2jas s ARG 132 CO -0.07 -0.55 -0.10 0.14 -0.81 0.00 0.00 175.30 173.92 2jas s VAL 133 N 2.88 0.98 0.64 7.11 -7.23 -1.26 -1.48 120.40 122.05 2jas s VAL 133 Ca 0.35 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 2jas s VAL 133 Cb -0.15 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 2jas s VAL 133 CO 0.08 -0.67 1.07 -0.94 -0.31 0.00 0.00 175.10 174.34 2jas s SER 134 N -2.77 5.44 0.22 4.85 1.04 -1.26 -4.97 113.70 116.25 2jas s SER 134 Ca 0.10 1.83 -0.08 0.00 0.48 0.00 0.00 55.95 58.27 2jas s SER 134 Cb 0.00 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.80 2jas s SER 134 CO -0.01 -1.40 1.89 0.74 0.98 0.00 0.00 173.24 175.44 2jas h THR 135 N 0.00 1.18 -0.76 2.02 2.02 -1.97 -2.71 112.91 112.71 2jas h THR 135 Ca -0.46 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.35 2jas h THR 135 Cb 1.23 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2jas h THR 135 CO 0.56 0.20 0.49 0.11 0.37 0.00 0.00 175.52 177.25 2jas h LYS 136 N 1.10 1.01 -0.57 6.66 1.57 -1.99 -1.29 116.57 123.06 2jas h LYS 136 Ca 0.31 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2jas h LYS 136 Cb -0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 2jas h LYS 136 CO -0.08 0.68 -0.02 1.15 -0.57 0.00 0.00 179.45 180.61 2jas h THR 137 N 1.03 1.26 -0.15 -0.16 2.02 -1.93 -2.99 112.91 112.00 2jas h THR 137 Ca 0.28 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 2jas h THR 137 Cb -0.09 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2jas h THR 137 CO -0.06 0.41 0.08 0.00 0.37 0.00 0.00 175.52 176.32 2jas h ALA 138 N 1.06 0.20 -0.76 6.16 0.00 -1.10 -2.08 119.26 122.73 2jas h ALA 138 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jas h ALA 138 Cb 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2jas h ALA 138 CO 0.03 -0.26 0.51 0.82 0.00 0.00 0.00 179.25 180.35 2jas h ILE 139 N 0.14 1.17 -0.18 0.00 2.04 -1.22 0.01 117.51 119.46 2jas h ILE 139 Ca 0.05 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 2jas h ILE 139 Cb 0.09 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 2jas h ILE 139 CO -0.01 0.18 -0.58 0.77 0.00 0.00 0.00 178.15 178.51 2jas h SER 140 N 1.00 0.65 -0.14 1.72 4.64 -1.40 -2.59 113.55 117.42 2jas h SER 140 Ca 0.29 -0.36 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 2jas h SER 140 Cb -0.06 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2jas h SER 140 CO -0.07 1.09 -0.24 0.03 -0.87 0.00 0.00 176.83 176.77 2jas h ARG 141 N 0.44 0.59 -0.64 4.77 3.08 -0.69 0.16 114.38 122.08 2jas h ARG 141 Ca 0.00 -0.23 0.10 0.00 0.07 0.00 0.00 59.98 59.92 2jas h ARG 141 Cb 1.14 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.08 2jas h ARG 141 CO 0.11 0.78 0.26 0.82 -1.07 0.00 0.00 179.97 180.87 2jas h ILE 142 N 0.52 0.77 -0.48 2.04 2.04 -0.95 -1.29 117.51 120.16 2jas h ILE 142 Ca 0.08 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 2jas h ILE 142 Cb 0.69 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2jas h ILE 142 CO 0.05 0.08 -0.16 0.11 0.00 0.00 0.00 178.15 178.23 2jas h LYS 143 N 0.45 0.96 0.30 2.37 1.57 -0.99 -1.57 116.57 119.66 2jas h LYS 143 Ca 0.33 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jas h LYS 143 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jas h LYS 143 CO -0.31 1.06 -0.14 0.87 -0.57 0.00 0.00 179.45 180.36 2jas h LYS 144 N 0.82 -0.39 0.00 3.15 1.57 -0.68 -3.41 116.57 117.62 2jas h LYS 144 Ca 0.12 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jas h LYS 144 Cb 0.73 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2jas h LYS 144 CO 0.06 -0.26 -0.08 0.54 -0.57 0.00 0.00 179.45 179.14 2jas n ARG 145 N -3.37 1.34 0.00 3.15 1.74 -0.51 -5.06 116.66 113.95 2jas n ARG 145 Ca -0.05 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.64 2jas n ARG 145 Cb 0.16 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.49 -1.01 3.89 -0.13 0.00 -0.59 -4.99 105.19 101.87 2jas n GLY 146 Ca 0.03 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.48 3.53 0.58 1.61 1.81 -1.26 -4.97 118.95 118.76 2jas s ARG 147 Ca 0.00 -0.16 0.30 0.00 -1.72 0.00 0.00 55.73 54.15 2jas s ARG 147 Cb 0.00 -3.09 1.75 0.00 -0.45 0.00 0.00 34.95 33.17 2jas s ARG 147 CO 0.00 0.66 2.21 0.66 -0.68 0.00 0.00 175.30 178.15 2jas h SER 148 N 3.96 0.00 0.81 0.23 4.64 -1.97 -1.75 113.55 119.46 2jas h SER 148 Ca -0.50 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 2jas h SER 148 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2jas h SER 148 CO 0.67 0.04 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.75 2jas h GLU 149 N 0.00 0.00 0.00 4.77 3.07 -1.97 -3.14 114.58 117.32 2jas h GLU 149 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jas h GLU 149 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2jas h GLU 149 CO 0.00 0.58 0.00 0.39 -1.40 0.00 0.00 179.01 178.59 2jas n GLU 150 N -3.61 0.00 0.00 2.33 1.02 -0.66 -1.81 120.64 117.92 2jas n GLU 150 Ca -0.00 0.34 0.13 0.00 -0.02 0.00 0.00 57.16 57.61 2jas n GLU 150 Cb 0.64 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 31.06 2jas n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jas n LEU 151 N -1.49 0.39 0.18 -4.62 4.77 -1.19 -4.34 117.00 110.70 2jas n LEU 151 Ca 0.02 0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 2jas n LEU 151 Cb 0.10 -0.27 0.27 0.00 -2.33 0.00 0.00 43.42 41.19 2jas n LEU 151 CO 0.08 0.08 0.84 -0.07 -1.33 0.00 0.00 177.39 177.00 2jas h LEU 152 N 0.32 0.00 -9.79 2.23 3.38 -1.57 -3.46 115.31 106.42 2jas h LEU 152 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2jas h LEU 152 Cb 0.44 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2jas h LEU 152 CO 0.00 0.00 -0.56 0.27 0.09 0.00 0.00 178.44 178.24 2jas s ILE 153 N -3.18 4.13 0.85 1.22 -5.25 -1.26 -4.91 121.20 112.80 2jas s ILE 153 Ca 0.08 -1.57 -0.11 0.00 -0.99 0.00 0.00 60.65 58.06 2jas s ILE 153 Cb 0.08 -3.22 0.10 0.00 2.95 0.00 0.00 42.46 42.37 2jas s ILE 153 CO 0.64 -0.36 1.09 -0.83 -1.79 0.00 0.00 174.94 173.69 2jas s GLY 154 N -3.79 1.64 0.44 6.27 0.00 -1.26 -4.95 107.32 105.68 2jas s GLY 154 Ca 0.32 0.10 0.14 0.00 0.00 0.00 0.00 44.72 45.29 2jas s GLY 154 CO 0.23 0.53 1.99 0.83 0.00 0.00 0.00 173.10 176.68 2jas h GLU 155 N -1.41 0.37 -0.18 2.90 4.39 -1.99 -2.74 114.58 115.91 2jas h GLU 155 Ca -0.47 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.26 2jas h GLU 155 Cb 1.26 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2jas h GLU 155 CO 0.53 0.24 0.16 0.93 -1.16 0.00 0.00 179.01 179.71 2jas h GLU 156 N 0.38 0.00 -0.35 2.33 5.08 -2.00 -0.11 114.58 119.91 2jas h GLU 156 Ca 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2jas h GLU 156 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jas h GLU 156 CO -0.07 0.00 0.13 -0.92 -1.00 0.00 0.00 179.01 177.15 2jas h TYR 157 N 0.00 0.53 -0.02 4.33 3.20 -1.86 -2.70 116.97 120.46 2jas h TYR 157 Ca 0.09 -0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 2jas h TYR 157 Cb 0.40 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2jas h TYR 157 CO 0.00 0.50 -0.70 -1.49 -1.64 0.00 0.00 178.16 174.83 2jas h TRP 158 N 0.41 0.13 0.59 -3.82 4.06 -1.22 -2.08 115.95 114.03 2jas h TRP 158 Ca 0.11 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 2jas h TRP 158 Cb 0.20 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2jas h TRP 158 CO -0.00 0.76 -0.28 0.93 -3.56 0.00 0.00 178.44 176.29 2jas h GLU 159 N 0.06 -0.77 -0.83 0.49 4.39 -1.37 -1.41 114.58 115.14 2jas h GLU 159 Ca -0.01 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2jas h GLU 159 Cb 1.24 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 30.03 2jas h GLU 159 CO 0.10 -0.50 0.53 1.15 -1.16 0.00 0.00 179.01 179.13 2jas h THR 160 N -0.81 1.22 -0.40 1.13 2.02 -1.46 -1.04 112.91 113.56 2jas h THR 160 Ca -0.08 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 2jas h THR 160 Cb 0.62 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2jas h THR 160 CO 0.13 0.22 -0.17 0.25 0.37 0.00 0.00 175.52 176.33 2jas h LEU 161 N 1.13 0.76 -0.58 2.58 5.85 -1.31 0.23 115.31 123.97 2jas h LEU 161 Ca 0.30 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 2jas h LEU 161 Cb -0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2jas h LEU 161 CO -0.06 0.92 -0.53 -1.13 -0.34 0.00 0.00 178.44 177.31 2jas h ASN 162 N 0.67 0.56 -0.22 1.25 -1.24 -0.66 -1.25 115.58 114.69 2jas h ASN 162 Ca 0.10 -0.29 -0.02 0.00 0.71 0.00 0.00 56.30 56.81 2jas h ASN 162 Cb 0.65 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 2jas h ASN 162 CO 0.05 0.98 0.06 0.11 -1.29 0.00 0.00 177.43 177.34 2jas h LYS 163 N 0.39 0.35 -0.12 6.67 1.57 -0.87 -1.21 116.57 123.36 2jas h LYS 163 Ca 0.01 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2jas h LYS 163 Cb 1.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2jas h LYS 163 CO 0.10 0.45 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.21 2jas h ASN 164 N 0.18 0.24 -0.51 0.86 2.35 -0.92 -0.52 115.58 117.25 2jas h ASN 164 Ca 0.07 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2jas h ASN 164 Cb 0.26 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2jas h ASN 164 CO -0.00 0.55 -0.03 1.88 -1.65 0.00 0.00 177.43 178.18 2jas h TYR 165 N 0.21 1.02 -0.63 1.19 -1.99 -1.07 0.48 116.97 116.18 2jas h TYR 165 Ca 0.03 -0.19 -0.07 0.00 2.00 0.00 0.00 58.73 60.50 2jas h TYR 165 Cb 0.66 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 39.11 2jas h TYR 165 CO 0.01 0.95 0.13 1.49 -0.00 0.00 0.00 178.16 180.74 2jas h GLU 166 N 0.79 1.02 -0.63 4.88 4.57 -0.94 -2.62 114.58 121.66 2jas h GLU 166 Ca 0.14 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2jas h GLU 166 Cb 0.57 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2jas h GLU 166 CO 0.03 0.94 0.12 1.49 -1.18 0.00 0.00 179.01 180.41 2jas h GLU 167 N 0.93 1.01 -0.53 1.92 4.81 -0.91 -1.54 114.58 120.27 2jas h GLU 167 Ca 0.19 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jas h GLU 167 Cb 0.40 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2jas h GLU 167 CO 0.01 0.92 0.33 0.35 -0.73 0.00 0.00 179.01 179.88 2jas h PHE 168 N 0.95 0.70 -0.44 0.92 3.57 -0.73 -0.98 116.94 120.93 2jas h PHE 168 Ca 0.20 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 2jas h PHE 168 Cb 0.39 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2jas h PHE 168 CO 0.03 0.47 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.59 2jas h TYR 169 N 0.72 0.91 -0.41 0.41 3.20 -1.23 0.02 116.97 120.59 2jas h TYR 169 Ca 0.19 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 2jas h TYR 169 Cb -0.03 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 2jas h TYR 169 CO -0.03 0.91 -0.15 0.87 -1.64 0.00 0.00 178.16 178.12 2jas h LYS 170 N 0.65 0.75 0.07 1.82 1.57 -1.15 -3.12 116.57 117.17 2jas h LYS 170 Ca 0.11 -0.27 -0.24 0.00 -1.87 0.00 0.00 60.65 58.38 2jas h LYS 170 Cb 0.59 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2jas h LYS 170 CO 0.04 0.87 -1.09 1.96 -0.57 0.00 0.00 179.45 180.65 2jas h GLN 171 N 0.68 0.24 -6.97 3.15 4.20 -1.13 -3.48 115.11 111.80 2jas h GLN 171 Ca 0.11 -0.35 -0.59 0.00 0.06 0.00 0.00 58.65 57.87 2jas h GLN 171 Cb 0.64 0.12 -0.22 0.00 0.30 0.00 0.00 27.48 28.32 2jas h GLN 171 CO 0.04 1.12 -0.93 -1.71 -0.67 0.00 0.00 178.83 176.69 2jas n ASN 172 N -3.57 -0.27 -0.27 1.46 5.15 -0.01 -4.85 115.26 112.90 2jas n ASN 172 Ca -0.06 -1.20 0.02 0.00 -0.60 0.00 0.00 54.58 52.75 2jas n ASN 172 Cb 0.94 -1.98 0.10 0.00 -0.53 0.00 0.00 39.78 38.31 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 -1.58 0.24 -0.07 3.44 2.07 -1.92 0.39 116.25 118.82 2jas h VAL 173 Ca -0.64 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2jas h VAL 173 Cb 1.39 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2jas h VAL 173 CO 0.74 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 177.11 2jas n TYR 174 N -5.49 0.08 -3.70 1.57 4.02 -1.26 -4.92 117.16 107.46 2jas n TYR 174 Ca 0.11 -0.04 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 2jas n TYR 174 Cb 0.41 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.77 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 -0.33 -4.75 -4.77 7.72 2.03 0.13 -4.97 116.55 111.60 2jas n ASP 175 Ca 0.15 -1.01 -0.38 0.00 0.52 0.00 0.00 54.79 54.06 2jas n ASP 175 Cb 0.17 -3.37 -0.02 0.00 -0.72 0.00 0.00 41.12 37.18 2jas n ASP 175 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2jas s PHE 176 N -3.51 3.03 -1.24 -0.67 2.99 -1.26 -4.94 117.98 112.37 2jas s PHE 176 Ca 0.42 1.53 -0.20 0.00 0.00 0.00 0.00 56.93 58.68 2jas s PHE 176 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 43.02 39.42 2jas s PHE 176 CO 0.86 -1.44 1.85 -0.35 -0.00 0.00 0.00 175.22 176.14 2jas n PRO 177 N 0.10 2.47 -2.24 0.24 -0.04 -1.26 -4.96 135.00 129.29 2jas n PRO 177 Ca 0.04 -2.85 -0.40 0.00 -0.04 0.00 0.00 63.50 60.24 2jas n PRO 177 Cb 0.46 -3.55 -0.03 0.00 -0.04 0.00 0.00 33.50 30.34 2jas n PRO 177 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jas s PHE 178 N 6.93 3.23 -0.20 0.54 2.99 -1.26 -1.83 117.98 128.39 2jas s PHE 178 Ca 0.59 1.52 -0.02 0.00 0.00 0.00 0.00 56.93 59.02 2jas s PHE 178 Cb 0.03 -3.54 0.06 0.00 0.00 0.00 0.00 43.02 39.57 2jas s PHE 178 CO 0.10 -1.39 0.01 0.12 -0.00 0.00 0.00 175.22 174.06 2jas s PHE 179 N -1.16 1.28 0.12 0.36 5.36 -0.71 -4.90 117.98 118.33 2jas s PHE 179 Ca 0.48 -1.00 -0.28 0.00 -0.96 0.00 0.00 56.93 55.17 2jas s PHE 179 Cb -0.37 -1.13 -0.06 0.00 -0.34 0.00 0.00 43.02 41.12 2jas s PHE 179 CO 0.48 -0.63 0.87 0.08 -1.46 0.00 0.00 175.22 174.57 2jas s VAL 180 N 1.77 4.49 -0.06 3.12 1.01 -1.26 -1.59 120.40 127.88 2jas s VAL 180 Ca -0.02 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.88 2jas s VAL 180 Cb -0.17 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2jas s VAL 180 CO -0.08 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.55 2jas s VAL 181 N -0.36 1.45 -0.71 2.92 1.01 -0.54 -4.95 120.40 119.22 2jas s VAL 181 Ca 0.42 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 2jas s VAL 181 Cb -0.23 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2jas s VAL 181 CO 0.27 0.42 1.61 -0.62 0.00 0.00 0.00 175.10 176.79 2jas s ASP 182 N 0.25 5.69 0.00 3.32 -1.08 -1.26 -1.97 116.67 121.62 2jas s ASP 182 Ca -0.09 -0.16 0.22 0.00 -0.52 0.00 0.00 52.55 52.00 2jas s ASP 182 Cb -0.14 -2.55 1.19 0.00 -1.46 0.00 0.00 42.92 39.97 2jas s ASP 182 CO 0.04 -2.14 1.70 0.00 0.52 0.00 0.00 175.17 175.28 2jas n ALA 183 N 11.27 2.20 0.20 3.66 0.00 -0.55 -1.80 120.51 135.49 2jas n ALA 183 Ca 0.16 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.55 2jas n ALA 183 Cb 0.50 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 18.97 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 0.00 0.00 -7.11 0.00 4.39 -1.89 -3.45 114.58 106.53 2jas h GLU 184 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2jas h GLU 184 Cb 0.12 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 28.92 2jas h GLU 184 CO 0.00 0.34 0.52 -0.51 -1.16 0.00 0.00 179.01 178.20 2jas s LEU 185 N -7.05 3.58 0.96 1.33 1.43 -0.75 -4.99 118.68 113.20 2jas s LEU 185 Ca 0.00 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 2jas s LEU 185 Cb 0.11 -4.61 0.17 0.00 0.03 0.00 0.00 46.19 41.89 2jas s LEU 185 CO 0.68 -1.98 1.11 1.51 0.23 0.00 0.00 176.35 177.90 2jas s ASP 186 N -1.39 2.58 0.08 2.29 1.47 -1.26 -4.78 116.67 115.65 2jas s ASP 186 Ca 0.82 1.97 -0.22 0.00 1.18 0.00 0.00 52.55 56.31 2jas s ASP 186 Cb -0.37 -2.49 -0.13 0.00 -0.34 0.00 0.00 42.92 39.59 2jas s ASP 186 CO 0.40 -3.28 1.62 0.58 0.68 0.00 0.00 175.17 175.16 2jas h VAL 187 N -1.99 1.13 -0.93 2.11 2.07 -1.94 -2.62 116.25 114.08 2jas h VAL 187 Ca -0.48 -0.40 0.23 0.00 0.82 0.00 0.00 66.70 66.87 2jas h VAL 187 Cb 1.28 1.22 -0.12 0.00 -1.52 0.00 0.00 31.29 32.15 2jas h VAL 187 CO 0.45 0.12 0.46 0.11 0.02 0.00 0.00 177.57 178.73 2jas h LYS 188 N 0.01 0.45 -0.20 1.57 1.57 -2.00 -0.64 116.57 117.32 2jas h LYS 188 Ca 0.03 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 2jas h LYS 188 Cb 0.15 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jas h LYS 188 CO -0.00 0.30 -0.60 1.15 -0.57 0.00 0.00 179.45 179.72 2jas h THR 189 N 0.46 1.29 -0.90 -0.16 2.02 -1.87 -2.81 112.91 110.95 2jas h THR 189 Ca 0.59 -1.81 0.06 0.00 0.77 0.00 0.00 66.41 66.02 2jas h THR 189 Cb 1.12 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 69.33 2jas h THR 189 CO -0.51 0.58 0.57 1.56 0.37 0.00 0.00 175.52 178.08 2jas h GLN 190 N 0.50 1.00 -0.32 6.66 4.20 -0.79 -1.83 115.11 124.54 2jas h GLN 190 Ca -0.02 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2jas h GLN 190 Cb 1.22 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 2jas h GLN 190 CO 0.13 0.66 -0.19 0.82 -0.67 0.00 0.00 178.83 179.58 2jas h ILE 191 N 1.03 1.26 0.31 2.54 1.08 -1.25 -1.19 117.51 121.29 2jas h ILE 191 Ca 0.39 -1.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 2jas h ILE 191 Cb 0.17 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2jas h ILE 191 CO -0.17 0.39 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.20 2jas h GLU 192 N 0.52 -0.40 -0.86 2.37 4.39 -1.09 0.43 114.58 119.94 2jas h GLU 192 Ca 0.08 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.89 2jas h GLU 192 Cb 0.62 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 2jas h GLU 192 CO 0.04 -0.25 0.53 -0.07 -1.16 0.00 0.00 179.01 178.10 2jas h LEU 193 N -0.43 0.80 0.06 1.33 3.38 -1.19 -1.96 115.31 117.30 2jas h LEU 193 Ca -0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jas h LEU 193 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jas h LEU 193 CO 0.07 0.49 -0.03 0.40 0.09 0.00 0.00 178.44 179.46 2jas h ILE 194 N 0.92 1.24 -0.84 1.22 2.04 -1.03 -2.68 117.51 118.38 2jas h ILE 194 Ca 0.39 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 65.27 2jas h ILE 194 Cb 0.26 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 2jas h ILE 194 CO -0.20 0.26 0.49 0.24 0.00 0.00 0.00 178.15 178.94 2jas h MET 195 N -0.56 0.82 -0.57 2.37 2.86 -0.87 0.14 114.93 119.12 2jas h MET 195 Ca -0.01 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2jas h MET 195 Cb 0.49 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2jas h MET 195 CO 0.01 0.54 0.33 -0.91 1.06 0.00 0.00 176.91 177.95 2jas h ASN 196 N 0.85 0.52 -0.37 1.22 4.21 -1.36 -1.11 115.58 119.54 2jas h ASN 196 Ca 0.39 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.84 2jas h ASN 196 Cb 0.31 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2jas h ASN 196 CO -0.22 0.36 -0.06 0.50 -1.29 0.00 0.00 177.43 176.72 2jas h LYS 197 N 0.64 0.68 -0.79 0.81 1.63 -1.02 -3.15 116.57 115.38 2jas h LYS 197 Ca 0.24 -0.25 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 2jas h LYS 197 Cb 0.07 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.61 2jas h LYS 197 CO -0.12 0.82 0.52 -0.07 -3.45 0.00 0.00 179.45 177.15 2jas h LEU 198 N 0.49 0.84 -1.66 5.20 3.38 -0.45 -1.98 115.31 121.12 2jas h LEU 198 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jas h LEU 198 Cb 0.55 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jas h LEU 198 CO 0.03 0.57 0.00 0.59 0.09 0.00 0.00 178.44 179.72 2jas n ASN 199 N -4.45 0.90 0.00 -0.43 3.02 -0.44 -5.09 115.26 108.77 2jas n ASN 199 Ca 0.10 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 2jas n ASN 199 Cb 0.12 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2jas n ASN 199 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44