#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 3.22 -0.09 2.12 1.02 -1.26 -3.17 119.74 121.57 2jas s LYS 2 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.26 2jas s LYS 2 Cb 0.00 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 2jas s LYS 2 CO 0.00 -0.31 -0.14 0.42 -0.92 0.00 0.00 175.35 174.40 2jas s ILE 3 N 1.48 3.06 -0.03 2.17 1.01 -0.40 -1.00 121.20 127.49 2jas s ILE 3 Ca 0.04 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.07 2jas s ILE 3 Cb -0.16 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2jas s ILE 3 CO -0.01 0.56 -0.22 0.00 0.00 0.00 0.00 174.94 175.26 2jas s ALA 4 N -0.15 1.88 -0.15 9.38 0.00 -0.16 -0.14 121.76 132.42 2jas s ALA 4 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2jas s ALA 4 Cb -0.13 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2jas s ALA 4 CO 0.03 0.43 -0.15 0.42 0.00 0.00 0.00 175.76 176.50 2jas s ILE 5 N -0.42 2.73 -0.02 0.00 1.01 0.13 0.53 121.20 125.17 2jas s ILE 5 Ca 0.06 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.00 2jas s ILE 5 Cb -0.10 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2jas s ILE 5 CO 0.00 0.51 -0.13 0.12 0.00 0.00 0.00 174.94 175.44 2jas s PHE 6 N 0.78 1.26 0.00 3.97 5.36 0.76 -0.93 117.98 129.18 2jas s PHE 6 Ca -0.06 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 2jas s PHE 6 Cb -0.15 -0.83 0.00 0.00 -0.34 0.00 0.00 43.02 41.69 2jas s PHE 6 CO 0.01 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.11 2jas n GLY 7 N 2.92 2.37 3.65 13.12 0.00 -1.26 -1.51 105.19 124.48 2jas n GLY 7 Ca -0.16 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 1.92 0.21 2.61 -1.32 -1.26 -4.94 115.64 110.85 2jas s THR 8 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 2jas s THR 8 Cb 0.00 -2.48 -0.09 0.00 -1.51 0.00 0.00 72.50 68.42 2jas s THR 8 CO 0.00 0.00 1.36 -0.69 -2.21 0.00 0.00 174.62 173.08 2jas s VAL 9 N -2.97 3.04 0.00 5.08 1.01 -1.26 -2.68 120.40 122.62 2jas s VAL 9 Ca 0.67 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2jas s VAL 9 Cb -0.17 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2jas s VAL 9 CO 0.57 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2jas n GLY 10 N 2.40 0.39 0.18 4.51 0.00 -1.26 -4.77 105.19 106.65 2jas n GLY 10 Ca 0.07 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 0.84 0.00 4.61 0.00 -1.82 -3.36 119.26 119.53 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 1.13 1.02 0.32 0.00 0.00 -1.26 -4.97 105.19 101.43 2jas n GLY 12 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.92 0.77 0.16 1.61 1.57 -1.92 -0.57 116.57 119.09 2jas h LYS 13 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2jas h LYS 13 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2jas h LYS 13 CO 0.00 0.51 -0.08 0.66 -0.57 0.00 0.00 179.45 179.97 2jas h SER 14 N 0.79 -0.18 -0.37 0.86 4.64 -1.99 -1.07 113.55 116.23 2jas h SER 14 Ca 0.46 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2jas h SER 14 Cb 0.53 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2jas h SER 14 CO -0.30 0.22 0.25 0.71 -0.87 0.00 0.00 176.83 176.84 2jas h THR 15 N -0.60 1.04 -0.02 2.95 1.35 -1.90 -0.34 112.91 115.38 2jas h THR 15 Ca -0.02 -0.14 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 2jas h THR 15 Cb 0.46 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2jas h THR 15 CO 0.04 0.08 -0.23 0.40 -0.25 0.00 0.00 175.52 175.55 2jas h ILE 16 N 0.42 1.50 -0.59 6.82 5.03 -1.09 -2.99 117.51 126.61 2jas h ILE 16 Ca 0.15 -1.80 -0.08 0.00 -0.12 0.00 0.00 64.86 63.00 2jas h ILE 16 Cb 0.08 2.59 -0.02 0.00 -3.03 0.00 0.00 36.82 36.43 2jas h ILE 16 CO -0.03 0.50 0.03 0.77 -0.68 0.00 0.00 178.15 178.74 2jas h SER 17 N -0.42 0.96 0.61 1.72 4.64 -0.91 -0.75 113.55 119.41 2jas h SER 17 Ca -0.02 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2jas h SER 17 Cb 0.93 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2jas h SER 17 CO 0.05 1.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.01 2jas h ALA 18 N 1.10 1.00 0.00 5.18 0.00 -1.18 -0.87 119.26 124.49 2jas h ALA 18 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jas h ALA 18 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jas h ALA 18 CO 0.02 0.00 -0.16 0.93 0.00 0.00 0.00 179.25 180.04 2jas h GLU 19 N 0.00 0.00 -0.90 0.00 4.39 -1.14 -3.27 114.58 113.66 2jas h GLU 19 Ca 0.00 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.89 2jas h GLU 19 Cb 0.30 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 2jas h GLU 19 CO 0.00 0.18 0.59 0.82 -1.16 0.00 0.00 179.01 179.44 2jas h ILE 20 N -1.00 0.70 -0.55 3.13 2.04 -1.00 0.23 117.51 121.06 2jas h ILE 20 Ca -0.02 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 2jas h ILE 20 Cb 0.30 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2jas h ILE 20 CO -0.01 0.09 -0.02 -1.28 0.00 0.00 0.00 178.15 176.93 2jas h SER 21 N 0.47 0.98 0.00 1.72 0.87 -1.34 -1.11 113.55 115.12 2jas h SER 21 Ca 0.47 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2jas h SER 21 Cb 1.08 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2jas h SER 21 CO -0.19 1.06 0.00 0.29 -0.53 0.00 0.00 176.83 177.45 2jas n LYS 22 N -4.23 0.53 0.00 2.24 5.02 0.05 -1.49 118.16 120.28 2jas n LYS 22 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2jas n LYS 22 Cb 0.35 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2jas n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jas n LYS 23 N -0.75 1.89 -0.02 1.97 5.02 -0.97 -4.86 118.16 120.45 2jas n LYS 23 Ca 0.06 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.40 2jas n LYS 23 Cb 0.03 -0.86 -0.13 0.00 -0.02 0.00 0.00 35.03 34.05 2jas n LYS 23 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jas n LEU 24 N -1.81 0.00 -0.65 -0.35 4.77 -0.46 -5.02 117.00 113.48 2jas n LEU 24 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2jas n LEU 24 Cb 0.36 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jas n LEU 24 CO 0.00 0.08 -0.04 0.61 -1.33 0.00 0.00 177.39 176.71 2jas n GLY 25 N 1.69 0.24 3.82 -0.72 0.00 -0.56 -5.04 105.19 104.62 2jas n GLY 25 Ca -0.08 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.37 3.70 0.12 1.61 4.12 -1.26 -5.06 117.35 118.22 2jas s TYR 26 Ca 0.02 0.99 -0.31 0.00 0.02 0.00 0.00 57.07 57.79 2jas s TYR 26 Cb -0.01 -2.34 -0.08 0.00 -1.52 0.00 0.00 41.96 38.01 2jas s TYR 26 CO 0.03 0.57 1.45 -2.00 0.02 0.00 0.00 175.55 175.62 2jas s GLU 27 N -0.82 4.28 0.22 -0.62 2.56 -1.26 -4.73 118.70 118.33 2jas s GLU 27 Ca 0.24 2.16 -0.16 0.00 0.00 0.00 0.00 54.97 57.21 2jas s GLU 27 Cb -0.17 -3.25 -0.08 0.00 2.00 0.00 0.00 34.13 32.63 2jas s GLU 27 CO 0.13 -0.51 0.67 0.42 -0.56 0.00 0.00 175.26 175.41 2jas s ILE 28 N 1.25 4.70 -0.27 -3.70 1.01 -1.26 -2.37 121.20 120.54 2jas s ILE 28 Ca 0.67 1.03 -0.01 0.00 0.00 0.00 0.00 60.65 62.34 2jas s ILE 28 Cb -0.39 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.37 2jas s ILE 28 CO 0.30 0.11 -0.05 -0.36 0.00 0.00 0.00 174.94 174.95 2jas s PHE 29 N -1.63 3.20 0.04 3.97 0.40 -0.10 -4.95 117.98 118.91 2jas s PHE 29 Ca 0.44 -1.89 -0.00 0.00 -0.60 0.00 0.00 56.93 54.88 2jas s PHE 29 Cb -0.14 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 2jas s PHE 29 CO 0.20 -0.80 0.19 0.15 0.70 0.00 0.00 175.22 175.65 2jas s LYS 30 N 1.24 3.38 0.49 0.44 1.02 -1.26 -2.70 119.74 122.35 2jas s LYS 30 Ca -0.04 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 2jas s LYS 30 Cb -0.19 -3.02 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 2jas s LYS 30 CO -0.03 0.62 1.06 -1.21 -0.92 0.00 0.00 175.35 174.87 2jas s GLU 31 N -2.36 3.74 0.15 1.68 2.02 -1.26 -4.99 118.70 117.69 2jas s GLU 31 Ca 0.33 1.43 -0.31 0.00 0.02 0.00 0.00 54.97 56.43 2jas s GLU 31 Cb -0.13 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 2jas s GLU 31 CO 0.25 -0.49 1.71 -2.14 0.02 0.00 0.00 175.26 174.62 2jas s PRO 32 N -3.18 4.16 0.00 0.39 0.02 -1.26 -4.76 135.00 130.37 2jas s PRO 32 Ca 0.68 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.21 2jas s PRO 32 Cb -0.18 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2jas s PRO 32 CO 0.22 -0.75 0.00 0.28 -0.33 0.00 0.00 177.00 176.42 2jas n VAL 33 N 4.33 0.00 0.06 3.83 0.31 -1.26 -4.61 118.33 120.98 2jas n VAL 33 Ca 0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.38 2jas n VAL 33 Cb 0.38 -0.24 -0.08 0.00 -0.91 0.00 0.00 33.84 32.99 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 -0.21 0.00 5.55 4.39 -2.03 -3.31 114.58 118.98 2jas h GLU 34 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jas h GLU 34 Cb 0.35 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2jas h GLU 34 CO 0.00 0.22 0.00 0.39 -1.16 0.00 0.00 179.01 178.46 2jas n GLU 35 N -4.93 0.62 -2.49 2.33 1.02 -1.26 -4.77 120.64 111.16 2jas n GLU 35 Ca -0.08 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 2jas n GLU 35 Cb 0.27 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.36 6.60 0.00 1.62 3.84 -1.25 -4.92 114.94 118.48 2jas s ASN 36 Ca 0.35 0.85 0.29 0.00 0.21 0.00 0.00 52.86 54.55 2jas s ASN 36 Cb 0.20 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.59 2jas s ASN 36 CO 0.41 -1.20 1.89 -0.81 -2.79 0.00 0.00 177.10 174.60 2jas n PRO 37 N 7.63 0.27 0.00 0.43 -0.04 -1.26 -3.36 135.00 138.67 2jas n PRO 37 Ca 0.14 -0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2jas n PRO 37 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.32 0.00 -0.07 0.54 0.53 -1.26 -4.64 117.16 110.94 2jas n TYR 38 Ca 0.11 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.86 2jas n TYR 38 Cb 0.30 -0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.55 2jas n TYR 38 CO 0.00 0.00 0.00 0.35 -1.02 0.00 0.00 176.86 176.19 2jas h PHE 39 N 4.37 0.44 -0.39 -0.72 3.57 -1.90 -0.55 116.94 121.76 2jas h PHE 39 Ca 0.00 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2jas h PHE 39 Cb 0.95 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2jas h PHE 39 CO 0.00 0.67 0.16 1.49 -2.23 0.00 0.00 178.31 178.40 2jas h GLU 40 N 0.08 0.57 -0.06 1.11 4.81 -1.84 -3.14 114.58 116.10 2jas h GLU 40 Ca 0.04 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2jas h GLU 40 Cb 0.55 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2jas h GLU 40 CO 0.03 0.54 -0.47 1.96 -0.73 0.00 0.00 179.01 180.33 2jas h GLN 41 N 0.48 0.14 -0.54 1.92 4.20 -1.83 -3.23 115.11 116.24 2jas h GLN 41 Ca 0.13 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2jas h GLN 41 Cb 0.17 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2jas h GLN 41 CO -0.01 0.58 0.33 -0.92 -0.67 0.00 0.00 178.83 178.14 2jas h TYR 42 N 0.11 0.61 0.00 2.96 3.20 -1.04 -1.56 116.97 121.25 2jas h TYR 42 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jas h TYR 42 Cb 0.88 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2jas h TYR 42 CO 0.01 0.35 -0.26 1.88 -1.64 0.00 0.00 178.16 178.50 2jas h TYR 43 N 0.65 0.00 0.04 -3.82 -1.99 -1.64 -2.27 116.97 107.94 2jas h TYR 43 Ca 0.22 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.73 2jas h TYR 43 Cb 0.03 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 2jas h TYR 43 CO -0.06 0.00 -1.05 0.87 -0.00 0.00 0.00 178.16 177.92 2jas h LYS 44 N 0.00 0.10 -1.45 4.88 1.57 -1.52 -3.41 116.57 116.73 2jas h LYS 44 Ca 0.00 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.41 2jas h LYS 44 Cb 0.96 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.08 2jas h LYS 44 CO 0.00 1.05 -0.57 0.34 -0.57 0.00 0.00 179.45 179.69 2jas s ASP 45 N -6.86 -0.29 0.10 0.86 -1.08 -0.61 -5.04 116.67 103.76 2jas s ASP 45 Ca -0.01 -1.29 -0.33 0.00 -0.52 0.00 0.00 52.55 50.41 2jas s ASP 45 Cb 0.09 1.28 -0.14 0.00 -1.46 0.00 0.00 42.92 42.70 2jas s ASP 45 CO 0.84 -0.20 1.58 -0.07 0.52 0.00 0.00 175.17 177.84 2jas h LEU 46 N 6.81 -1.27 -0.93 -1.34 3.38 -1.63 -3.08 115.31 117.25 2jas h LEU 46 Ca 0.06 0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.34 2jas h LEU 46 Cb 1.11 0.45 -0.18 0.00 0.09 0.00 0.00 40.66 42.13 2jas h LEU 46 CO 0.14 -0.56 -0.24 0.11 0.09 0.00 0.00 178.44 177.99 2jas h LYS 47 N -0.80 -0.00 0.00 1.13 1.57 -1.88 0.54 116.57 117.13 2jas h LYS 47 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2jas h LYS 47 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2jas h LYS 47 CO -0.15 -0.00 -0.38 0.87 -0.57 0.00 0.00 179.45 179.22 2jas h LYS 48 N -0.00 0.00 0.00 3.15 1.57 -1.90 -3.36 116.57 116.03 2jas h LYS 48 Ca 0.44 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.03 2jas h LYS 48 Cb 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2jas h LYS 48 CO -0.96 0.38 -1.95 2.41 -0.57 0.00 0.00 179.45 178.75 2jas n THR 49 N -3.89 0.75 -0.34 -0.16 -1.04 0.15 -4.66 114.28 105.09 2jas n THR 49 Ca -0.01 -0.56 0.06 0.00 -2.04 0.00 0.00 64.05 61.49 2jas n THR 49 Cb 0.44 -0.40 0.15 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.04 -0.01 12.58 2.07 -0.45 -0.71 116.25 129.77 2jas h VAL 50 Ca -0.30 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jas h VAL 50 Cb 1.60 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2jas h VAL 50 CO 0.02 0.00 -0.01 0.15 0.02 0.00 0.00 177.57 177.74 2jas h PHE 51 N 0.00 0.03 -0.64 1.57 3.57 -1.85 -2.06 116.94 117.57 2jas h PHE 51 Ca 0.47 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.07 2jas h PHE 51 Cb 0.75 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.41 2jas h PHE 51 CO -0.71 0.52 0.24 0.87 -2.23 0.00 0.00 178.31 177.00 2jas h LYS 52 N -0.46 0.41 -0.33 1.11 1.57 -1.71 -2.26 116.57 114.89 2jas h LYS 52 Ca 0.00 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2jas h LYS 52 Cb 0.51 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2jas h LYS 52 CO 0.00 0.27 0.10 1.98 -0.57 0.00 0.00 179.45 181.23 2jas h MET 53 N 0.42 0.23 -0.21 3.15 4.05 -1.07 -1.06 114.93 120.44 2jas h MET 53 Ca 0.33 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.73 2jas h MET 53 Cb 0.43 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2jas h MET 53 CO -0.33 0.15 0.10 1.96 0.23 0.00 0.00 176.91 179.02 2jas h GLN 54 N 0.24 0.30 -0.92 0.39 1.08 -0.97 -0.89 115.11 114.33 2jas h GLN 54 Ca 0.15 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2jas h GLN 54 Cb 0.14 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 2jas h GLN 54 CO -0.17 0.32 0.59 0.82 -0.95 0.00 0.00 178.83 179.43 2jas h ILE 55 N 0.20 1.07 -0.49 2.54 2.04 -1.27 -1.08 117.51 120.51 2jas h ILE 55 Ca 0.07 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 2jas h ILE 55 Cb 0.12 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 2jas h ILE 55 CO -0.01 0.20 -0.06 0.22 0.00 0.00 0.00 178.15 178.50 2jas h TYR 56 N 1.07 1.01 -0.34 1.37 3.20 -0.87 -2.52 116.97 119.89 2jas h TYR 56 Ca 0.40 -0.20 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2jas h TYR 56 Cb 0.15 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2jas h TYR 56 CO -0.02 0.96 -0.13 0.52 -1.64 0.00 0.00 178.16 177.86 2jas h MET 57 N 0.77 0.70 -0.44 1.82 2.86 -0.78 -1.90 114.93 117.96 2jas h MET 57 Ca 0.13 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jas h MET 57 Cb 0.60 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2jas h MET 57 CO 0.04 0.88 0.29 -0.07 1.06 0.00 0.00 176.91 179.11 2jas h LEU 58 N 0.48 0.50 -0.26 1.22 3.38 -1.20 0.65 115.31 120.08 2jas h LEU 58 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2jas h LEU 58 Cb 0.65 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2jas h LEU 58 CO 0.04 0.36 0.01 0.74 0.09 0.00 0.00 178.44 179.68 2jas h THR 59 N 0.59 1.25 -0.14 0.22 2.02 -1.22 -2.50 112.91 113.12 2jas h THR 59 Ca 0.16 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2jas h THR 59 Cb -0.05 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2jas h THR 59 CO -0.04 0.28 0.08 0.00 0.37 0.00 0.00 175.52 176.21 2jas h ALA 60 N 0.82 0.17 -0.74 6.16 0.00 -0.37 -1.97 119.26 123.34 2jas h ALA 60 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jas h ALA 60 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jas h ALA 60 CO 0.01 -0.35 0.36 0.00 0.00 0.00 0.00 179.25 179.27 2jas h ARG 61 N 0.17 1.06 -0.95 0.00 2.47 -0.97 -2.44 114.38 113.72 2jas h ARG 61 Ca 0.06 -0.15 0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2jas h ARG 61 Cb -0.00 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.07 2jas h ARG 61 CO -0.03 0.82 0.62 1.03 0.56 0.00 0.00 179.97 182.97 2jas h SER 62 N 1.03 1.02 -0.79 7.04 0.87 -1.30 0.27 113.55 121.69 2jas h SER 62 Ca 0.25 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2jas h SER 62 Cb 0.10 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 2jas h SER 62 CO -0.03 0.70 0.45 0.11 -0.53 0.00 0.00 176.83 177.53 2jas h LYS 63 N 1.19 1.09 0.00 2.24 1.57 -1.03 -2.58 116.57 119.05 2jas h LYS 63 Ca 0.38 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2jas h LYS 63 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2jas h LYS 63 CO -0.12 0.79 -0.55 1.96 -0.57 0.00 0.00 179.45 180.96 2jas h GLN 64 N 1.09 0.00 -0.25 3.15 4.20 -0.86 -3.01 115.11 119.43 2jas h GLN 64 Ca 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 2jas h GLN 64 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jas h GLN 64 CO -0.05 0.55 0.02 1.25 -0.67 0.00 0.00 178.83 179.93 2jas h LEU 65 N 0.00 0.34 0.21 1.46 5.85 -0.11 -1.94 115.31 121.12 2jas h LEU 65 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2jas h LEU 65 Cb 1.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2jas h LEU 65 CO 0.07 0.39 -0.10 0.11 -0.34 0.00 0.00 178.44 178.57 2jas h LYS 66 N 0.36 -0.27 0.00 1.25 1.57 -1.38 -3.32 116.57 114.78 2jas h LYS 66 Ca 0.08 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jas h LYS 66 Cb 0.22 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jas h LYS 66 CO 0.00 0.07 0.00 -0.56 -0.57 0.00 0.00 179.45 178.40 2jas h GLN 67 N -0.95 0.00 0.06 3.15 3.07 -1.53 -3.13 115.11 115.77 2jas h GLN 67 Ca -0.03 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.44 2jas h GLN 67 Cb 0.47 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.04 2jas h GLN 67 CO 0.05 0.00 -1.11 0.00 0.09 0.00 0.00 178.83 177.86 2jas h ALA 68 N 2.05 0.15 -0.47 0.06 0.00 -1.50 -3.31 119.26 116.24 2jas h ALA 68 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 54.91 54.29 2jas h ALA 68 Cb 0.61 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2jas h ALA 68 CO 0.00 0.75 0.33 0.87 0.00 0.00 0.00 179.25 181.21 2jas h LYS 69 N 0.27 0.03 -0.08 0.00 1.57 -1.64 -0.14 116.57 116.58 2jas h LYS 69 Ca -0.14 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 2jas h LYS 69 Cb 1.77 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 2jas h LYS 69 CO 0.21 0.02 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.89 2jas h ASN 70 N 0.03 0.15 -3.04 0.86 4.21 -1.72 -3.44 115.58 112.64 2jas h ASN 70 Ca 0.22 -0.05 -0.61 0.00 1.21 0.00 0.00 56.30 57.07 2jas h ASN 70 Cb 0.85 -0.04 -0.07 0.00 -1.12 0.00 0.00 38.32 37.94 2jas h ASN 70 CO -0.01 0.47 -0.26 -0.76 -1.29 0.00 0.00 177.43 175.58 2jas s LEU 71 N -8.39 4.40 0.04 1.61 1.43 -0.07 -5.00 118.68 112.69 2jas s LEU 71 Ca -0.04 0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 2jas s LEU 71 Cb 0.14 -2.48 -0.35 0.00 0.03 0.00 0.00 46.19 43.53 2jas s LEU 71 CO 0.74 0.27 1.02 -0.08 0.23 0.00 0.00 176.35 178.53 2jas h GLU 72 N 5.29 0.52 -4.79 1.70 4.81 -1.86 -3.43 114.58 116.82 2jas h GLU 72 Ca -0.49 -0.88 -0.68 0.00 -0.13 0.00 0.00 59.36 57.17 2jas h GLU 72 Cb 1.21 0.33 -0.33 0.00 0.63 0.00 0.00 28.75 30.59 2jas h GLU 72 CO 0.65 1.42 -0.71 -0.80 -0.73 0.00 0.00 179.01 178.84 2jas s ASN 73 N -7.55 4.80 -0.01 1.04 0.01 -1.26 -3.70 114.94 108.27 2jas s ASN 73 Ca -0.08 -1.24 0.01 0.00 -0.71 0.00 0.00 52.86 50.83 2jas s ASN 73 Cb 0.04 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 40.02 2jas s ASN 73 CO 0.94 -0.24 -0.02 0.27 -1.51 0.00 0.00 177.10 176.54 2jas s ILE 74 N 1.25 0.18 -0.25 0.60 -4.36 -1.19 -4.02 121.20 113.40 2jas s ILE 74 Ca -0.05 -0.06 -0.08 0.00 -0.26 0.00 0.00 60.65 60.21 2jas s ILE 74 Cb -0.19 -0.18 -0.03 0.00 1.25 0.00 0.00 42.46 43.31 2jas s ILE 74 CO -0.02 0.07 0.08 -0.63 0.24 0.00 0.00 174.94 174.68 2jas s ILE 75 N 0.18 4.36 -0.17 8.37 1.01 -1.00 -1.28 121.20 132.67 2jas s ILE 75 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2jas s ILE 75 Cb -0.04 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2jas s ILE 75 CO -0.00 0.33 0.04 -0.36 0.00 0.00 0.00 174.94 174.95 2jas s PHE 76 N 1.62 3.20 -0.46 3.97 0.40 0.81 -0.93 117.98 126.59 2jas s PHE 76 Ca 0.06 -0.00 -0.18 0.00 -0.60 0.00 0.00 56.93 56.22 2jas s PHE 76 Cb -0.15 -2.05 0.04 0.00 0.51 0.00 0.00 43.02 41.38 2jas s PHE 76 CO 0.04 0.12 0.49 0.34 0.70 0.00 0.00 175.22 176.92 2jas s ASP 77 N 0.33 6.20 0.30 1.36 -1.08 -1.10 0.21 116.67 122.89 2jas s ASP 77 Ca 0.02 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 2jas s ASP 77 Cb -0.13 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2jas s ASP 77 CO 0.01 -0.70 0.00 -1.14 0.52 0.00 0.00 175.17 173.86 2jas n ARG 78 N 5.72 -2.98 -0.19 4.34 0.63 -0.11 -4.50 116.66 119.58 2jas n ARG 78 Ca -0.08 2.20 0.00 0.00 -0.92 0.00 0.00 57.85 59.05 2jas n ARG 78 Cb 0.46 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2jas n ARG 78 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2jas n THR 79 N -0.58 0.00 -0.02 5.15 -2.24 -1.26 -4.92 114.28 110.40 2jas n THR 79 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2jas n THR 79 Cb 0.00 -1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 66.82 2jas n THR 79 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jas n LEU 80 N 0.00 0.00 -1.34 3.22 4.77 -1.26 -4.30 117.00 118.09 2jas n LEU 80 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2jas n LEU 80 Cb 0.00 0.07 0.29 0.00 -2.33 0.00 0.00 43.42 41.45 2jas n LEU 80 CO 0.00 0.07 0.73 0.18 -1.33 0.00 0.00 177.39 177.04 2jas n LEU 81 N -2.24 3.93 -0.35 2.23 4.77 -1.26 -4.22 117.00 119.86 2jas n LEU 81 Ca -0.07 -1.98 0.08 0.00 -0.03 0.00 0.00 56.01 54.01 2jas n LEU 81 Cb 0.59 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2jas n LEU 81 CO 0.40 0.67 0.24 -0.62 -1.33 0.00 0.00 177.39 176.75 2jas n GLU 82 N 0.87 1.60 -0.19 3.23 1.02 -1.26 -4.56 120.64 121.35 2jas n GLU 82 Ca 0.21 -0.76 -0.10 0.00 -0.02 0.00 0.00 57.16 56.49 2jas n GLU 82 Cb 0.74 -1.31 0.01 0.00 -0.02 0.00 0.00 31.44 30.87 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 1.72 0.96 0.00 1.62 3.32 -1.87 -2.19 116.42 119.98 2jas h ASP 83 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2jas h ASP 83 Cb 0.57 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2jas h ASP 83 CO 0.00 1.04 0.17 -2.65 -1.72 0.00 0.00 179.24 176.08 2jas n PRO 84 N -4.25 0.09 -0.05 3.56 -0.02 -1.26 -1.14 135.00 131.93 2jas n PRO 84 Ca 0.02 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2jas n PRO 84 Cb 0.34 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 2jas n PRO 84 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2jas h ILE 85 N 0.00 1.28 0.00 4.25 2.04 -1.70 -1.06 117.51 122.32 2jas h ILE 85 Ca 0.00 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2jas h ILE 85 Cb 0.35 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2jas h ILE 85 CO 0.00 0.28 -0.25 -0.26 0.00 0.00 0.00 178.15 177.92 2jas h PHE 86 N -0.03 0.00 -0.02 1.37 -1.00 -1.26 -0.94 116.94 115.07 2jas h PHE 86 Ca 0.04 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.58 2jas h PHE 86 Cb 0.44 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.02 2jas h PHE 86 CO 0.05 0.25 -0.91 1.98 -1.61 0.00 0.00 178.31 178.07 2jas h MET 87 N 0.00 0.65 -0.16 1.51 4.05 -1.43 -2.72 114.93 116.82 2jas h MET 87 Ca -0.00 -0.67 -0.09 0.00 -0.28 0.00 0.00 59.70 58.65 2jas h MET 87 Cb 0.58 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2jas h MET 87 CO 0.03 1.27 -0.30 -0.22 0.23 0.00 0.00 176.91 177.92 2jas h LYS 88 N 0.30 0.31 -0.24 0.39 3.64 -0.88 -0.59 116.57 119.50 2jas h LYS 88 Ca -0.11 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2jas h LYS 88 Cb 1.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 2jas h LYS 88 CO 0.18 0.59 0.09 0.28 -2.27 0.00 0.00 179.45 178.31 2jas h VAL 89 N 0.27 1.18 -0.01 2.00 2.07 -1.21 -0.98 116.25 119.57 2jas h VAL 89 Ca 0.04 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2jas h VAL 89 Cb 0.67 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2jas h VAL 89 CO 0.05 0.19 -0.27 0.78 0.02 0.00 0.00 177.57 178.33 2jas h ASN 90 N 0.23 0.02 0.54 0.57 2.35 -1.19 -2.19 115.58 115.91 2jas h ASN 90 Ca 0.08 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.63 2jas h ASN 90 Cb 0.21 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2jas h ASN 90 CO -0.00 0.29 -0.85 0.22 -1.65 0.00 0.00 177.43 175.44 2jas h TYR 91 N 0.02 0.32 -0.12 1.19 3.20 -0.92 0.43 116.97 121.09 2jas h TYR 91 Ca 0.00 -0.17 -0.14 0.00 3.14 0.00 0.00 58.73 61.56 2jas h TYR 91 Cb 0.49 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2jas h TYR 91 CO 0.00 0.97 -0.52 -0.44 -1.64 0.00 0.00 178.16 176.53 2jas h ASP 92 N 0.13 0.36 -0.17 -2.11 3.32 -0.88 -2.97 116.42 114.10 2jas h ASP 92 Ca -0.04 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2jas h ASP 92 Cb 1.47 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2jas h ASP 92 CO 0.13 0.82 0.00 0.18 -1.72 0.00 0.00 179.24 178.65 2jas n LEU 93 N -3.95 1.40 -3.61 1.55 4.77 -0.85 -4.93 117.00 111.38 2jas n LEU 93 Ca -0.02 -0.61 -0.21 0.00 -0.03 0.00 0.00 56.01 55.13 2jas n LEU 93 Cb 0.57 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.61 2jas n LEU 93 CO 0.44 0.31 0.06 0.59 -1.33 0.00 0.00 177.39 177.46 2jas n ASN 94 N 0.17 -2.59 -0.06 -1.43 4.13 -1.05 -4.92 115.26 109.51 2jas n ASN 94 Ca 0.14 -0.70 0.10 0.00 1.68 0.00 0.00 54.58 55.80 2jas n ASN 94 Cb 0.27 -4.58 -0.09 0.00 -1.54 0.00 0.00 39.78 33.84 2jas n ASN 94 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jas n ASN 95 N -3.06 1.12 -3.83 6.41 3.02 0.15 -4.90 115.26 114.17 2jas n ASN 95 Ca -0.22 -1.04 -0.16 0.00 -0.03 0.00 0.00 54.58 53.13 2jas n ASN 95 Cb 0.64 0.91 -0.16 0.00 -0.61 0.00 0.00 39.78 40.56 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 -2.93 0.13 0.96 2.41 1.01 -1.18 -4.50 120.40 116.29 2jas s VAL 96 Ca 0.09 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2jas s VAL 96 Cb 0.16 -0.21 0.16 0.00 0.00 0.00 0.00 36.38 36.50 2jas s VAL 96 CO 0.83 0.11 1.15 1.51 0.00 0.00 0.00 175.10 178.70 2jas s ASP 97 N 0.81 3.11 0.18 3.32 3.84 -1.26 -4.65 116.67 122.02 2jas s ASP 97 Ca -0.08 0.86 -0.13 0.00 -0.00 0.00 0.00 52.55 53.20 2jas s ASP 97 Cb -0.11 -1.35 0.11 0.00 -1.38 0.00 0.00 42.92 40.19 2jas s ASP 97 CO -0.02 -2.79 1.80 -0.61 -0.00 0.00 0.00 175.17 173.55 2jas h GLN 98 N -1.66 0.54 0.73 2.11 -0.00 -1.99 -2.40 115.11 112.42 2jas h GLN 98 Ca -0.49 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.09 2jas h GLN 98 Cb 1.32 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 28.67 2jas h GLN 98 CO 0.56 0.35 -0.45 1.15 0.00 0.00 0.00 178.83 180.44 2jas h THR 99 N 0.55 0.00 -0.87 2.39 2.02 -1.99 -1.36 112.91 113.65 2jas h THR 99 Ca 0.21 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.53 2jas h THR 99 Cb 0.07 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.42 2jas h THR 99 CO -0.12 0.00 0.56 0.44 0.37 0.00 0.00 175.52 176.77 2jas h ASP 100 N -1.11 0.64 -0.39 4.18 3.32 -1.94 -1.00 116.42 120.12 2jas h ASP 100 Ca -0.10 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2jas h ASP 100 Cb 0.89 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2jas h ASP 100 CO 0.10 0.34 0.17 0.22 -1.72 0.00 0.00 179.24 178.34 2jas h TYR 101 N 0.69 0.58 -0.40 4.55 3.20 -1.14 -1.62 116.97 122.84 2jas h TYR 101 Ca 0.43 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.21 2jas h TYR 101 Cb 0.67 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2jas h TYR 101 CO -0.00 0.51 0.02 -0.97 -1.64 0.00 0.00 178.16 176.08 2jas h ASN 102 N 0.49 0.58 0.53 -2.11 -0.73 -0.12 -2.20 115.58 112.02 2jas h ASN 102 Ca 0.13 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 2jas h ASN 102 Cb 0.16 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.61 2jas h ASN 102 CO -0.01 0.64 -0.26 0.74 -0.37 0.00 0.00 177.43 178.17 2jas h THR 103 N 0.59 0.44 -0.52 -3.57 2.02 -0.90 -0.76 112.91 110.22 2jas h THR 103 Ca 0.13 -0.18 0.10 0.00 0.77 0.00 0.00 66.41 67.23 2jas h THR 103 Cb 0.34 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 67.19 2jas h THR 103 CO 0.01 0.03 -0.01 0.22 0.37 0.00 0.00 175.52 176.14 2jas h TYR 104 N -0.84 -0.05 -0.44 3.16 3.20 -1.22 -1.99 116.97 118.79 2jas h TYR 104 Ca -0.07 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 2jas h TYR 104 Cb 0.60 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2jas h TYR 104 CO -0.02 -0.13 -0.28 0.82 -1.64 0.00 0.00 178.16 176.92 2jas h ILE 105 N 0.11 1.27 -0.16 1.81 1.08 -1.37 0.01 117.51 120.26 2jas h ILE 105 Ca 0.26 -1.44 -0.08 0.00 -0.39 0.00 0.00 64.86 63.21 2jas h ILE 105 Cb 0.40 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2jas h ILE 105 CO -0.44 0.49 -0.25 -0.78 -0.69 0.00 0.00 178.15 176.48 2jas h ASP 106 N 0.82 0.29 0.03 1.72 3.58 -0.94 -0.67 116.42 121.24 2jas h ASP 106 Ca 0.09 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jas h ASP 106 Cb 0.86 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2jas h ASP 106 CO 0.08 0.55 -0.01 0.15 -2.88 0.00 0.00 179.24 177.12 2jas h PHE 107 N 0.26 -0.04 -0.79 0.28 3.57 -1.17 -2.25 116.94 116.81 2jas h PHE 107 Ca 0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.64 2jas h PHE 107 Cb 0.59 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2jas h PHE 107 CO 0.01 0.55 0.51 -0.92 -2.23 0.00 0.00 178.31 176.24 2jas h TYR 108 N -0.65 0.76 0.16 0.41 3.20 -0.74 0.14 116.97 120.24 2jas h TYR 108 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2jas h TYR 108 Cb 0.60 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2jas h TYR 108 CO 0.13 0.35 -0.08 -0.91 -1.64 0.00 0.00 178.16 176.02 2jas h ASN 109 N 0.71 -0.18 1.71 -2.11 2.35 -1.17 0.92 115.58 117.81 2jas h ASN 109 Ca 0.36 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2jas h ASN 109 Cb 0.47 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2jas h ASN 109 CO -0.14 0.39 0.00 0.78 -1.65 0.00 0.00 177.43 176.81 2jas h ASN 110 N -0.88 0.00 0.00 5.81 2.35 -1.17 -3.29 115.58 118.40 2jas h ASN 110 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2jas h ASN 110 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2jas h ASN 110 CO 0.04 0.00 0.00 0.52 -1.65 0.00 0.00 177.43 176.34 2jas n VAL 111 N -3.03 0.00 -0.22 2.81 0.31 0.46 -4.60 118.33 114.06 2jas n VAL 111 Ca 0.03 0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 64.50 2jas n VAL 111 Cb 0.46 -1.09 0.10 0.00 -0.91 0.00 0.00 33.84 32.41 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 0.00 0.91 0.00 2.52 2.07 -1.56 -1.30 116.25 118.88 2jas h VAL 112 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2jas h VAL 112 Cb 0.00 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2jas h VAL 112 CO 0.00 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.88 2jas n LEU 113 N -4.85 0.34 -3.99 2.57 4.77 0.30 -3.49 117.00 112.65 2jas n LEU 113 Ca 0.08 0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 56.23 2jas n LEU 113 Cb 0.21 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2jas n LEU 113 CO 0.27 -0.44 2.12 -0.62 -1.33 0.00 0.00 177.39 177.39 2jas n GLU 114 N -1.88 3.29 -3.13 3.23 -0.58 -0.49 -4.74 120.64 116.34 2jas n GLU 114 Ca 0.02 -3.24 -0.27 0.00 -0.42 0.00 0.00 57.16 53.25 2jas n GLU 114 Cb 0.18 -3.13 -0.05 0.00 -0.57 0.00 0.00 31.44 27.87 2jas n GLU 114 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2jas n ASN 115 N 5.38 4.28 -3.51 1.62 0.23 -1.23 -4.99 115.26 117.05 2jas n ASN 115 Ca 0.44 -3.59 -0.29 0.00 -0.53 0.00 0.00 54.58 50.61 2jas n ASN 115 Cb 0.39 -0.62 -0.13 0.00 -2.08 0.00 0.00 39.78 37.34 2jas n ASN 115 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2jas s LEU 116 N -3.09 1.01 0.00 -4.53 1.43 -1.26 -5.17 118.68 107.07 2jas s LEU 116 Ca 0.45 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 2jas s LEU 116 Cb 0.22 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 46.00 2jas s LEU 116 CO -0.09 -0.35 0.00 0.18 0.23 0.00 0.00 176.35 176.33 2jas n LEU 123 N 4.38 0.00 -4.90 1.79 4.77 -1.26 -5.33 117.00 116.45 2jas n LEU 123 Ca 0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.72 2jas n LEU 123 Cb 0.38 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2jas n LEU 123 CO 0.12 0.00 0.00 -0.94 -1.33 0.00 0.00 177.39 175.24 2jas s SER 124 N 0.00 6.49 0.16 -1.43 1.04 -1.26 -5.09 113.70 113.61 2jas s SER 124 Ca 0.00 0.57 0.02 0.00 0.48 0.00 0.00 55.95 57.02 2jas s SER 124 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2jas s SER 124 CO 0.00 0.11 0.30 -0.36 0.98 0.00 0.00 173.24 174.27 2jas s PHE 125 N -1.57 3.48 -0.16 5.02 0.40 -1.26 -4.92 117.98 118.98 2jas s PHE 125 Ca 0.38 0.13 0.18 0.00 -0.60 0.00 0.00 56.93 57.01 2jas s PHE 125 Cb -0.13 -1.68 -0.06 0.00 0.51 0.00 0.00 43.02 41.66 2jas s PHE 125 CO 0.23 0.50 0.99 -0.44 0.70 0.00 0.00 175.22 177.20 2jas h ASP 126 N 2.05 0.00 -3.78 1.36 5.19 -1.46 -3.44 116.42 116.33 2jas h ASP 126 Ca -0.49 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.78 2jas h ASP 126 Cb 1.20 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.46 2jas h ASP 126 CO 0.68 0.43 -0.31 -0.51 -3.12 0.00 0.00 179.24 176.41 2jas s ILE 127 N -3.03 -0.00 -0.29 0.35 2.07 -1.03 -4.86 121.20 114.41 2jas s ILE 127 Ca -0.01 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2jas s ILE 127 Cb 0.09 -0.50 0.08 0.00 0.13 0.00 0.00 42.46 42.26 2jas s ILE 127 CO 0.79 0.01 0.01 -0.69 -1.91 0.00 0.00 174.94 173.15 2jas s VAL 128 N 0.35 1.71 -0.42 4.00 1.01 -0.45 -0.99 120.40 125.61 2jas s VAL 128 Ca -0.01 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.02 2jas s VAL 128 Cb -0.03 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2jas s VAL 128 CO -0.01 -0.40 0.87 -0.63 0.00 0.00 0.00 175.10 174.92 2jas s ILE 129 N 1.24 4.59 -0.43 2.22 1.01 0.19 -1.21 121.20 128.80 2jas s ILE 129 Ca 0.03 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.28 2jas s ILE 129 Cb -0.19 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 37.97 2jas s ILE 129 CO -0.11 -0.66 0.66 -0.47 0.00 0.00 0.00 174.94 174.36 2jas s TYR 130 N 3.46 3.06 -0.96 3.97 5.04 -0.32 -0.17 117.35 131.43 2jas s TYR 130 Ca 0.35 0.01 -0.20 0.00 -2.44 0.00 0.00 57.07 54.78 2jas s TYR 130 Cb -0.12 -3.38 0.10 0.00 0.35 0.00 0.00 41.96 38.92 2jas s TYR 130 CO 0.22 -0.87 1.24 -0.51 -1.34 0.00 0.00 175.55 174.29 2jas s LEU 131 N 2.88 4.50 0.14 6.97 1.43 -0.57 -1.11 118.68 132.93 2jas s LEU 131 Ca 0.24 -1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.21 2jas s LEU 131 Cb -0.14 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 2jas s LEU 131 CO 0.19 -1.22 1.16 -0.60 0.23 0.00 0.00 176.35 176.10 2jas s ARG 132 N 3.50 4.52 0.01 1.70 3.52 -0.90 -4.67 118.95 126.62 2jas s ARG 132 Ca 0.37 1.78 -0.11 0.00 -0.13 0.00 0.00 55.73 57.63 2jas s ARG 132 Cb -0.03 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2jas s ARG 132 CO -0.10 -0.07 0.24 0.14 -0.81 0.00 0.00 175.30 174.70 2jas s VAL 133 N 0.20 0.08 0.61 7.11 -7.23 -1.26 -1.28 120.40 118.62 2jas s VAL 133 Ca 0.53 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.88 2jas s VAL 133 Cb -0.30 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 2jas s VAL 133 CO 0.34 -0.35 1.15 -0.94 -0.31 0.00 0.00 175.10 174.99 2jas s SER 134 N -1.57 5.25 0.32 4.85 1.04 -1.26 -4.93 113.70 117.40 2jas s SER 134 Ca -0.11 2.20 0.01 0.00 0.48 0.00 0.00 55.95 58.53 2jas s SER 134 Cb -0.05 -2.58 0.55 0.00 0.10 0.00 0.00 66.02 64.04 2jas s SER 134 CO 0.01 -1.54 1.95 0.74 0.98 0.00 0.00 173.24 175.38 2jas h THR 135 N 0.64 1.11 -0.30 2.02 2.02 -1.98 -2.17 112.91 114.25 2jas h THR 135 Ca -0.49 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 2jas h THR 135 Cb 1.27 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2jas h THR 135 CO 0.55 0.18 -0.11 0.11 0.37 0.00 0.00 175.52 176.62 2jas h LYS 136 N 0.99 0.51 -0.02 6.66 1.57 -1.99 0.19 116.57 124.48 2jas h LYS 136 Ca 0.34 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2jas h LYS 136 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2jas h LYS 136 CO -0.11 0.62 -0.27 1.15 -0.57 0.00 0.00 179.45 180.28 2jas h THR 137 N 0.48 1.50 -0.27 -0.16 2.02 -1.90 -3.00 112.91 111.58 2jas h THR 137 Ca 0.09 -1.84 0.05 0.00 0.77 0.00 0.00 66.41 65.48 2jas h THR 137 Cb 0.48 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.44 2jas h THR 137 CO 0.03 0.51 -0.02 0.00 0.37 0.00 0.00 175.52 176.40 2jas h ALA 138 N 0.32 0.22 -0.68 6.16 0.00 -1.22 0.39 119.26 124.46 2jas h ALA 138 Ca -0.03 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2jas h ALA 138 Cb 0.97 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2jas h ALA 138 CO 0.05 -0.44 0.35 0.82 0.00 0.00 0.00 179.25 180.03 2jas h ILE 139 N 0.05 0.89 0.00 0.00 2.04 -1.05 0.96 117.51 120.40 2jas h ILE 139 Ca 0.13 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2jas h ILE 139 Cb 0.18 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2jas h ILE 139 CO -0.24 0.11 -0.14 0.77 0.00 0.00 0.00 178.15 178.65 2jas h SER 140 N 0.61 0.00 0.56 1.72 4.64 -1.30 -2.43 113.55 117.35 2jas h SER 140 Ca 0.32 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.42 2jas h SER 140 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2jas h SER 140 CO -0.23 0.14 -0.97 0.03 -0.87 0.00 0.00 176.83 174.92 2jas h ARG 141 N 0.00 0.25 -0.63 4.77 3.08 0.42 -3.05 114.38 119.21 2jas h ARG 141 Ca -0.00 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 2jas h ARG 141 Cb 0.80 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 2jas h ARG 141 CO 0.02 1.05 0.22 0.82 -1.07 0.00 0.00 179.97 181.00 2jas h ILE 142 N 0.12 1.24 0.00 2.04 2.04 -0.70 -0.65 117.51 121.61 2jas h ILE 142 Ca -0.07 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2jas h ILE 142 Cb 1.63 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2jas h ILE 142 CO 0.15 0.31 0.00 0.29 0.00 0.00 0.00 178.15 178.90 2jas n LYS 143 N -4.39 0.15 -0.08 2.37 5.02 -0.93 -2.70 118.16 117.59 2jas n LYS 143 Ca 0.04 0.43 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 2jas n LYS 143 Cb 0.20 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.33 2jas n LYS 143 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jas n LYS 144 N -2.09 0.36 0.00 1.97 5.02 -1.09 -4.89 118.16 117.44 2jas n LYS 144 Ca 0.02 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2jas n LYS 144 Cb 0.18 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -3.19 0.22 0.00 1.97 1.74 -0.27 -5.09 116.66 112.04 2jas n ARG 145 Ca -0.28 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 2jas n ARG 145 Cb 0.76 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 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 -0.06 1.39 3.88 -0.13 0.00 -1.10 -5.00 105.19 104.19 2jas n GLY 146 Ca 0.00 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 2.48 3.71 0.50 1.61 1.81 -1.26 -5.01 118.95 122.79 2jas s ARG 147 Ca 0.00 0.09 0.26 0.00 -1.72 0.00 0.00 55.73 54.37 2jas s ARG 147 Cb 0.00 -2.80 1.29 0.00 -0.45 0.00 0.00 34.95 32.99 2jas s ARG 147 CO 0.00 0.43 2.00 0.66 -0.68 0.00 0.00 175.30 177.71 2jas h SER 148 N 2.88 0.00 0.75 0.23 4.64 -1.99 -2.97 113.55 117.10 2jas h SER 148 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 2jas h SER 148 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2jas h SER 148 CO 0.70 0.15 -0.60 -0.33 -0.87 0.00 0.00 176.83 175.88 2jas h GLU 149 N 0.00 0.00 0.00 4.77 3.07 -1.95 -3.12 114.58 117.34 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 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2jas h GLU 149 CO 0.02 0.60 0.00 0.39 -1.40 0.00 0.00 179.01 178.62 2jas n GLU 150 N -3.66 0.04 0.06 2.33 1.02 -1.12 -2.09 120.64 117.21 2jas n GLU 150 Ca -0.01 0.36 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 2jas n GLU 150 Cb 0.64 -1.58 0.39 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.66 0.56 0.04 -4.62 4.77 -1.18 -3.94 117.00 110.97 2jas n LEU 151 Ca 0.02 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 2jas n LEU 151 Cb 0.13 -0.33 0.53 0.00 -2.33 0.00 0.00 43.42 41.42 2jas n LEU 151 CO 0.11 -0.08 0.93 0.18 -1.33 0.00 0.00 177.39 177.20 2jas n LEU 152 N -1.96 0.29 -4.66 2.23 4.77 -0.89 -4.87 117.00 111.91 2jas n LEU 152 Ca 0.05 0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 56.27 2jas n LEU 152 Cb 0.40 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2jas n LEU 152 CO 0.31 -0.08 -0.35 -0.51 -1.33 0.00 0.00 177.39 175.43 2jas s ILE 153 N -3.04 3.83 1.01 -0.08 1.10 -1.25 -4.93 121.20 117.85 2jas s ILE 153 Ca 0.12 -1.13 -0.13 0.00 -0.51 0.00 0.00 60.65 59.00 2jas s ILE 153 Cb 0.16 -2.84 0.20 0.00 0.15 0.00 0.00 42.46 40.12 2jas s ILE 153 CO 0.54 0.07 1.11 -0.83 -2.11 0.00 0.00 174.94 173.72 2jas s GLY 154 N -2.43 1.57 0.39 1.50 0.00 -1.26 -4.97 107.32 102.11 2jas s GLY 154 Ca 0.25 -0.50 0.20 0.00 0.00 0.00 0.00 44.72 44.67 2jas s GLY 154 CO 0.18 0.15 1.75 0.83 0.00 0.00 0.00 173.10 176.00 2jas h GLU 155 N -1.92 0.00 -0.48 2.90 4.39 -2.00 -2.93 114.58 114.54 2jas h GLU 155 Ca -0.53 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.20 2jas h GLU 155 Cb 1.33 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 2jas h GLU 155 CO 0.56 0.34 0.32 0.93 -1.16 0.00 0.00 179.01 180.00 2jas h GLU 156 N 0.00 0.54 0.09 2.33 3.07 -1.99 -2.10 114.58 116.52 2jas h GLU 156 Ca -0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2jas h GLU 156 Cb 0.88 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2jas h GLU 156 CO 0.04 0.36 -0.04 -0.92 -1.40 0.00 0.00 179.01 177.05 2jas h TYR 157 N 0.56 -0.11 -0.22 4.33 3.20 -1.90 -1.65 116.97 121.19 2jas h TYR 157 Ca 0.19 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2jas h TYR 157 Cb 0.07 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2jas h TYR 157 CO -0.00 0.14 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.81 2jas h TRP 158 N -0.35 0.56 -0.05 -3.82 -0.00 -1.64 -1.87 115.95 108.78 2jas h TRP 158 Ca -0.01 -0.15 -0.17 0.00 -0.00 0.00 0.00 58.89 58.56 2jas h TRP 158 Cb 0.30 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 2jas h TRP 158 CO 0.00 0.78 -0.72 1.49 -0.00 0.00 0.00 178.44 180.00 2jas h GLU 159 N 0.41 0.25 -0.21 0.49 4.57 -1.38 -0.25 114.58 118.45 2jas h GLU 159 Ca 0.04 -0.21 -0.14 0.00 -1.18 0.00 0.00 59.36 57.87 2jas h GLU 159 Cb 0.82 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2jas h GLU 159 CO 0.07 0.87 -0.45 1.15 -1.18 0.00 0.00 179.01 179.46 2jas h THR 160 N 0.17 1.31 -0.22 0.32 2.02 -1.19 -2.67 112.91 112.65 2jas h THR 160 Ca -0.02 -1.65 -0.07 0.00 0.77 0.00 0.00 66.41 65.44 2jas h THR 160 Cb 1.27 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jas h THR 160 CO 0.11 0.51 -0.15 0.25 0.37 0.00 0.00 175.52 176.62 2jas h LEU 161 N 0.43 0.51 -0.98 2.58 5.85 -1.01 -1.77 115.31 120.92 2jas h LEU 161 Ca 0.03 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.24 2jas h LEU 161 Cb 0.96 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2jas h LEU 161 CO 0.09 0.84 0.00 -1.13 -0.34 0.00 0.00 178.44 177.90 2jas h ASN 162 N 0.19 0.70 -0.42 1.25 -1.24 -1.12 -0.75 115.58 114.20 2jas h ASN 162 Ca 0.04 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 2jas h ASN 162 Cb 0.66 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2jas h ASN 162 CO 0.04 0.77 0.08 0.50 -1.29 0.00 0.00 177.43 177.53 2jas h LYS 163 N 0.69 0.76 0.00 6.67 3.64 -1.42 -2.79 116.57 124.12 2jas h LYS 163 Ca 0.14 -0.17 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 2jas h LYS 163 Cb 0.42 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2jas h LYS 163 CO 0.02 0.72 -0.95 -0.91 -2.27 0.00 0.00 179.45 176.05 2jas h ASN 164 N 0.73 0.58 -0.40 4.20 2.35 -0.73 -2.30 115.58 120.00 2jas h ASN 164 Ca 0.16 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2jas h ASN 164 Cb 0.33 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2jas h ASN 164 CO 0.00 1.26 0.18 1.88 -1.65 0.00 0.00 177.43 179.10 2jas h TYR 165 N 0.25 0.59 -0.42 1.19 -1.99 -1.08 0.23 116.97 115.74 2jas h TYR 165 Ca -0.09 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 2jas h TYR 165 Cb 1.59 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 40.12 2jas h TYR 165 CO 0.06 0.51 0.25 1.49 -0.00 0.00 0.00 178.16 180.47 2jas h GLU 166 N 0.50 0.57 -0.64 4.88 4.57 -1.56 0.55 114.58 123.46 2jas h GLU 166 Ca 0.13 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 2jas h GLU 166 Cb 0.16 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2jas h GLU 166 CO -0.01 0.44 0.13 1.49 -1.18 0.00 0.00 179.01 179.87 2jas h GLU 167 N 0.55 1.02 -0.04 1.92 4.57 -1.20 0.12 114.58 121.53 2jas h GLU 167 Ca 0.15 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2jas h GLU 167 Cb 0.01 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 2jas h GLU 167 CO -0.03 0.92 -0.24 0.35 -1.18 0.00 0.00 179.01 178.83 2jas h PHE 168 N 0.96 -0.63 -0.15 0.92 3.57 -0.21 0.13 116.94 121.54 2jas h PHE 168 Ca 0.20 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.77 2jas h PHE 168 Cb 0.37 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2jas h PHE 168 CO 0.03 -0.32 -0.29 -0.92 -2.23 0.00 0.00 178.31 174.58 2jas h TYR 169 N -0.35 -0.78 -0.62 0.41 3.20 -0.44 0.28 116.97 118.67 2jas h TYR 169 Ca 0.07 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2jas h TYR 169 Cb 0.45 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2jas h TYR 169 CO -0.29 -0.37 0.32 0.87 -1.64 0.00 0.00 178.16 177.05 2jas h LYS 170 N -0.35 0.86 0.04 1.82 1.79 -0.53 -3.04 116.57 117.16 2jas h LYS 170 Ca 0.10 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jas h LYS 170 Cb 0.51 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2jas h LYS 170 CO -0.35 0.65 -0.02 0.37 -1.08 0.00 0.00 179.45 179.02 2jas h GLN 171 N 0.86 -0.06 -6.77 3.15 5.75 -0.39 -3.48 115.11 114.17 2jas h GLN 171 Ca 0.22 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 58.18 2jas h GLN 171 Cb 0.06 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2jas h GLN 171 CO -0.03 0.37 -1.00 -1.71 -2.65 0.00 0.00 178.83 173.80 2jas n ASN 172 N -4.91 -4.52 -0.30 -0.69 5.15 0.95 -4.89 115.26 106.05 2jas n ASN 172 Ca -0.08 -1.18 0.04 0.00 -0.60 0.00 0.00 54.58 52.75 2jas n ASN 172 Cb 0.23 -2.00 0.24 0.00 -0.53 0.00 0.00 39.78 37.72 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 -2.10 1.07 -0.58 3.44 2.07 -1.92 -2.91 116.25 115.32 2jas h VAL 173 Ca -0.68 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2jas h VAL 173 Cb 1.39 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2jas h VAL 173 CO 0.48 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 177.04 2jas n TYR 174 N -4.49 1.67 -3.94 1.57 4.02 -1.26 -4.96 117.16 109.77 2jas n TYR 174 Ca 0.13 -0.62 -0.28 0.00 -0.01 0.00 0.00 57.90 57.12 2jas n TYR 174 Cb 0.19 -0.35 -0.01 0.00 -0.02 0.00 0.00 39.34 39.15 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 0.85 -1.40 -4.77 7.72 -0.08 -1.10 -4.95 116.55 112.82 2jas n ASP 175 Ca 0.25 -1.05 -0.35 0.00 -1.51 0.00 0.00 54.79 52.13 2jas n ASP 175 Cb 0.98 -2.90 0.01 0.00 2.34 0.00 0.00 41.12 41.55 2jas n ASP 175 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2jas s PHE 176 N -3.87 2.66 -1.37 -0.67 2.99 -1.26 -4.96 117.98 111.49 2jas s PHE 176 Ca 0.12 1.54 -0.14 0.00 0.00 0.00 0.00 56.93 58.46 2jas s PHE 176 Cb -0.05 -3.29 0.08 0.00 0.00 0.00 0.00 43.02 39.76 2jas s PHE 176 CO 0.90 -1.61 1.99 -0.35 -0.00 0.00 0.00 175.22 176.15 2jas n PRO 177 N -1.38 3.11 -2.19 0.24 -0.04 -1.26 -5.00 135.00 128.48 2jas n PRO 177 Ca 0.12 -3.02 -0.40 0.00 -0.04 0.00 0.00 63.50 60.15 2jas n PRO 177 Cb 0.51 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.69 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 2.81 3.10 -0.09 0.54 2.99 -1.26 -1.35 117.98 124.72 2jas s PHE 178 Ca 0.47 1.48 -0.02 0.00 0.00 0.00 0.00 56.93 58.86 2jas s PHE 178 Cb 0.10 -3.58 0.03 0.00 0.00 0.00 0.00 43.02 39.57 2jas s PHE 178 CO -0.03 -1.61 0.01 0.12 -0.00 0.00 0.00 175.22 173.71 2jas s PHE 179 N -1.20 0.71 0.22 0.36 5.36 -0.35 -4.87 117.98 118.20 2jas s PHE 179 Ca 0.51 -0.26 -0.14 0.00 -0.96 0.00 0.00 56.93 56.07 2jas s PHE 179 Cb -0.37 -0.83 -0.08 0.00 -0.34 0.00 0.00 43.02 41.40 2jas s PHE 179 CO 0.48 -0.37 0.63 0.08 -1.46 0.00 0.00 175.22 174.59 2jas s VAL 180 N 1.96 4.77 -0.04 3.12 1.01 -1.26 -1.18 120.40 128.78 2jas s VAL 180 Ca 0.04 0.87 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 2jas s VAL 180 Cb -0.13 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2jas s VAL 180 CO -0.06 0.07 0.09 -0.69 0.00 0.00 0.00 175.10 174.51 2jas s VAL 181 N -1.67 -0.09 -0.38 2.92 1.01 -0.27 -4.91 120.40 117.01 2jas s VAL 181 Ca 0.45 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 2jas s VAL 181 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 2jas s VAL 181 CO 0.20 0.11 1.70 -0.62 0.00 0.00 0.00 175.10 176.48 2jas s ASP 182 N 1.43 5.96 0.00 3.32 -1.08 -1.26 -2.12 116.67 122.91 2jas s ASP 182 Ca -0.05 1.08 0.17 0.00 -0.52 0.00 0.00 52.55 53.23 2jas s ASP 182 Cb -0.12 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.29 2jas s ASP 182 CO -0.04 -1.69 1.40 0.00 0.52 0.00 0.00 175.17 175.36 2jas n ALA 183 N 10.08 2.42 0.23 3.66 0.00 -0.41 -3.16 120.51 133.32 2jas n ALA 183 Ca 0.21 -0.93 0.13 0.00 0.00 0.00 0.00 53.44 52.84 2jas n ALA 183 Cb 0.48 -0.96 0.33 0.00 0.00 0.00 0.00 19.45 19.29 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 3.15 0.00 -7.17 0.00 4.39 -1.89 -3.46 114.58 109.60 2jas h GLU 184 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2jas h GLU 184 Cb 0.72 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2jas h GLU 184 CO 0.00 0.06 0.38 -0.51 -1.16 0.00 0.00 179.01 177.78 2jas s LEU 185 N -6.26 3.56 1.04 1.33 1.43 -1.19 -5.04 118.68 113.56 2jas s LEU 185 Ca 0.05 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 2jas s LEU 185 Cb 0.07 -4.54 0.22 0.00 0.03 0.00 0.00 46.19 41.96 2jas s LEU 185 CO 0.64 -1.11 1.07 1.51 0.23 0.00 0.00 176.35 178.69 2jas s ASP 186 N -2.61 2.09 0.11 2.29 1.47 -1.26 -4.80 116.67 113.95 2jas s ASP 186 Ca 0.65 1.47 -0.21 0.00 1.18 0.00 0.00 52.55 55.64 2jas s ASP 186 Cb -0.16 -2.17 -0.10 0.00 -0.34 0.00 0.00 42.92 40.15 2jas s ASP 186 CO 0.34 -3.51 1.75 0.58 0.68 0.00 0.00 175.17 175.01 2jas h VAL 187 N -2.15 1.05 -0.79 2.11 2.07 -1.96 -2.92 116.25 113.67 2jas h VAL 187 Ca -0.56 -0.11 0.16 0.00 0.82 0.00 0.00 66.70 67.02 2jas h VAL 187 Cb 1.32 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 31.87 2jas h VAL 187 CO 0.52 0.04 0.30 0.11 0.02 0.00 0.00 177.57 178.57 2jas h LYS 188 N 0.16 0.39 -0.31 1.57 1.57 -1.99 -0.35 116.57 117.61 2jas h LYS 188 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2jas h LYS 188 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2jas h LYS 188 CO -0.01 0.26 0.17 1.15 -0.57 0.00 0.00 179.45 180.44 2jas h THR 189 N 0.40 1.14 -0.34 -0.16 2.02 -1.88 -1.86 112.91 112.23 2jas h THR 189 Ca 0.45 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2jas h THR 189 Cb 0.75 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2jas h THR 189 CO -0.46 0.14 0.20 1.56 0.37 0.00 0.00 175.52 177.33 2jas h GLN 190 N 0.38 0.40 -0.99 6.66 4.20 -1.03 -0.97 115.11 123.75 2jas h GLN 190 Ca 0.11 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2jas h GLN 190 Cb 0.07 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 2jas h GLN 190 CO -0.02 0.26 0.64 0.82 -0.67 0.00 0.00 178.83 179.87 2jas h ILE 191 N 0.41 1.13 -0.36 2.54 1.08 -1.04 -1.42 117.51 119.85 2jas h ILE 191 Ca 0.13 -0.41 -0.14 0.00 -0.39 0.00 0.00 64.86 64.05 2jas h ILE 191 Cb -0.00 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.56 2jas h ILE 191 CO -0.06 0.22 -0.33 -0.33 -0.69 0.00 0.00 178.15 176.96 2jas h GLU 192 N 1.20 0.81 -0.07 2.37 5.08 -0.87 -1.26 114.58 121.85 2jas h GLU 192 Ca 0.41 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2jas h GLU 192 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2jas h GLU 192 CO -0.14 1.02 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.51 2jas h LEU 193 N 0.68 0.13 0.04 1.33 3.38 -0.58 -2.06 115.31 118.23 2jas h LEU 193 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jas h LEU 193 Cb 0.88 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2jas h LEU 193 CO 0.08 0.43 -0.02 0.40 0.09 0.00 0.00 178.44 179.42 2jas h ILE 194 N 0.11 1.22 -0.55 1.22 2.04 -1.21 -3.20 117.51 117.15 2jas h ILE 194 Ca 0.02 -1.70 0.09 0.00 1.00 0.00 0.00 64.86 64.26 2jas h ILE 194 Cb 0.60 2.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.83 2jas h ILE 194 CO 0.04 0.38 0.17 0.24 0.00 0.00 0.00 178.15 178.98 2jas h MET 195 N -0.91 0.32 -0.87 2.37 2.86 -1.21 0.24 114.93 117.73 2jas h MET 195 Ca -0.01 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.81 2jas h MET 195 Cb 0.66 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.14 2jas h MET 195 CO 0.01 0.21 0.39 -0.91 1.06 0.00 0.00 176.91 177.67 2jas h ASN 196 N 0.33 0.36 -0.08 1.22 2.35 -1.51 -0.86 115.58 117.38 2jas h ASN 196 Ca 0.28 0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 56.06 2jas h ASN 196 Cb 0.35 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2jas h ASN 196 CO -0.31 0.06 -0.33 0.50 -1.65 0.00 0.00 177.43 175.70 2jas h LYS 197 N 0.45 0.37 -0.73 0.81 1.63 -1.04 -3.25 116.57 114.82 2jas h LYS 197 Ca 0.52 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 2jas h LYS 197 Cb 0.91 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.56 2jas h LYS 197 CO -0.48 0.92 0.40 -0.07 -3.45 0.00 0.00 179.45 176.77 2jas h LEU 198 N -0.09 0.90 -0.50 5.20 3.38 -0.78 -1.94 115.31 121.48 2jas h LEU 198 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jas h LEU 198 Cb 0.97 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jas h LEU 198 CO 0.07 0.73 0.00 0.59 0.09 0.00 0.00 178.44 179.92 2jas n ASN 199 N -4.36 0.27 0.00 -0.43 4.13 -0.35 -5.10 115.26 109.42 2jas n ASN 199 Ca 0.07 0.60 0.00 0.00 1.68 0.00 0.00 54.58 56.93 2jas n ASN 199 Cb 0.10 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 2jas n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00