#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1je3 h GLY 2 N 0.00 0.00 -1.21 3.03 0.00 -2.11 -3.46 103.07 99.32 1je3 h GLY 2 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1je3 h GLY 2 CO 0.00 0.00 0.20 -0.56 0.00 0.00 0.00 176.54 176.18 1je3 s SER 3 N -6.47 4.68 0.25 0.19 0.01 -1.26 -5.12 113.70 105.99 1je3 s SER 3 Ca 0.02 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1je3 s SER 3 Cb 0.08 -0.90 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 1je3 s SER 3 CO 0.77 -1.67 0.02 -0.55 0.41 0.00 0.00 173.24 172.23 1je3 s SER 4 N -4.56 1.89 -0.72 2.44 0.15 -1.26 -5.09 113.70 106.56 1je3 s SER 4 Ca 0.62 -1.27 -0.27 0.00 0.70 0.00 0.00 55.95 55.73 1je3 s SER 4 Cb -0.10 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.23 1je3 s SER 4 CO 0.45 -0.55 1.46 -1.00 1.20 0.00 0.00 173.24 174.79 1je3 s HIS 5 N -3.42 2.11 0.04 3.44 4.02 -1.26 -4.60 115.29 115.62 1je3 s HIS 5 Ca 0.31 0.16 0.00 0.00 1.02 0.00 0.00 55.06 56.55 1je3 s HIS 5 Cb 0.06 -4.47 0.00 0.00 -1.02 0.00 0.00 32.58 27.15 1je3 s HIS 5 CO 0.11 -2.13 0.00 0.72 1.02 0.00 0.00 174.74 174.45 1je3 n HIS 6 N 10.36 -0.33 -3.78 1.40 8.25 -1.26 -5.09 115.22 124.76 1je3 n HIS 6 Ca 0.09 0.06 -0.28 0.00 -0.26 0.00 0.00 57.72 57.34 1je3 n HIS 6 Cb 0.50 0.51 -0.16 0.00 1.12 0.00 0.00 29.99 31.96 1je3 n HIS 6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1je3 s HIS 7 N -1.12 1.25 0.36 4.41 0.09 -1.26 -5.13 115.29 113.89 1je3 s HIS 7 Ca 0.00 -0.93 0.06 0.00 -0.00 0.00 0.00 55.06 54.19 1je3 s HIS 7 Cb 0.00 -1.11 -0.03 0.00 -0.00 0.00 0.00 32.58 31.44 1je3 s HIS 7 CO 0.00 -0.60 0.23 -1.01 -0.00 0.00 0.00 174.74 173.36 1je3 s HIS 8 N 1.78 1.76 0.00 1.40 4.02 -1.26 -5.12 115.29 117.88 1je3 s HIS 8 Ca -0.01 -1.54 -0.01 0.00 1.02 0.00 0.00 55.06 54.52 1je3 s HIS 8 Cb -0.17 -0.87 -0.00 0.00 -1.02 0.00 0.00 32.58 30.52 1je3 s HIS 8 CO -0.07 -0.68 -0.03 0.72 1.02 0.00 0.00 174.74 175.70 1je3 n HIS 9 N -0.74 0.00 -2.35 1.40 -0.00 -1.26 -4.88 115.22 107.39 1je3 n HIS 9 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.50 1je3 n HIS 9 Cb 0.63 -0.04 0.01 0.00 -0.00 0.00 0.00 29.99 30.59 1je3 n HIS 9 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1je3 n HIS 10 N -2.84 3.09 -2.60 4.41 -0.00 -1.26 -4.74 115.22 111.29 1je3 n HIS 10 Ca -0.01 -2.81 -0.08 0.00 -0.00 0.00 0.00 57.72 54.82 1je3 n HIS 10 Cb 0.04 -0.17 0.04 0.00 -0.00 0.00 0.00 29.99 29.90 1je3 n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1je3 n SER 11 N -0.54 2.55 -3.00 0.41 2.88 -1.26 -4.91 113.62 109.75 1je3 n SER 11 Ca 0.39 -2.57 -0.26 0.00 -1.33 0.00 0.00 58.87 55.10 1je3 n SER 11 Cb 0.76 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 1je3 n SER 11 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1je3 n SER 12 N -0.60 4.00 -4.76 -3.46 7.64 -1.26 -5.01 113.62 110.17 1je3 n SER 12 Ca 0.18 -3.59 -0.36 0.00 1.01 0.00 0.00 58.87 56.11 1je3 n SER 12 Cb 0.84 -0.57 0.02 0.00 -1.01 0.00 0.00 64.21 63.49 1je3 n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1je3 s GLY 13 N -3.27 2.72 0.11 0.23 0.00 -1.26 -5.05 107.32 100.80 1je3 s GLY 13 Ca 0.47 0.96 0.02 0.00 0.00 0.00 0.00 44.72 46.17 1je3 s GLY 13 CO -0.12 1.35 -0.05 1.08 0.00 0.00 0.00 173.10 175.36 1je3 s LEU 14 N -3.89 2.42 -0.23 0.66 1.43 -1.26 -5.09 118.68 112.73 1je3 s LEU 14 Ca 0.75 -1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1je3 s LEU 14 Cb -0.29 -0.06 -0.16 0.00 0.03 0.00 0.00 46.19 45.71 1je3 s LEU 14 CO 0.32 -0.49 0.01 0.52 0.23 0.00 0.00 176.35 176.94 1je3 n VAL 15 N -0.08 1.53 0.28 -1.59 0.31 -1.26 -4.28 118.33 113.23 1je3 n VAL 15 Ca -0.11 -0.12 0.18 0.00 -0.01 0.00 0.00 64.34 64.28 1je3 n VAL 15 Cb 0.61 -2.01 0.90 0.00 -0.91 0.00 0.00 33.84 32.43 1je3 n VAL 15 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1je3 h PRO 16 N -1.00 0.00 -7.23 5.55 0.11 -2.02 -3.43 132.00 123.97 1je3 h PRO 16 Ca -0.44 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.21 1je3 h PRO 16 Cb 1.36 0.00 0.19 0.00 0.11 0.00 0.00 31.00 32.66 1je3 h PRO 16 CO -0.27 0.00 0.11 1.03 -0.21 0.00 0.00 178.00 178.66 1je3 s ARG 17 N -4.29 -0.13 -0.51 1.05 0.52 -1.26 -4.87 118.95 109.45 1je3 s ARG 17 Ca -0.04 0.84 -0.27 0.00 -0.52 0.00 0.00 55.73 55.74 1je3 s ARG 17 Cb 0.12 -1.65 -0.01 0.00 0.52 0.00 0.00 34.95 33.93 1je3 s ARG 17 CO 0.39 -3.20 1.77 0.20 0.02 0.00 0.00 175.30 174.49 1je3 s GLY 18 N -2.87 0.50 -0.41 -3.53 0.00 -1.26 -4.92 107.32 94.84 1je3 s GLY 18 Ca 0.67 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.05 1je3 s GLY 18 CO 0.61 3.27 0.24 -0.45 0.00 0.00 0.00 173.10 176.77 1je3 s SER 19 N 6.86 3.30 -0.01 1.64 0.15 -1.26 -4.89 113.70 119.48 1je3 s SER 19 Ca 0.69 -2.49 0.02 0.00 0.70 0.00 0.00 55.95 54.87 1je3 s SER 19 Cb -0.15 -0.77 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 1je3 s SER 19 CO 0.26 -0.28 0.93 1.41 1.20 0.00 0.00 173.24 176.76 1je3 n HIS 20 N 3.69 0.00 -0.10 3.44 8.25 -1.26 -4.66 115.22 124.57 1je3 n HIS 20 Ca 0.11 -0.10 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 1je3 n HIS 20 Cb 0.36 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1je3 n MET 21 N -0.14 0.54 0.16 -0.41 2.00 -1.26 -4.55 117.12 113.45 1je3 n MET 21 Ca 0.01 0.31 0.12 0.00 0.00 0.00 0.00 57.70 58.14 1je3 n MET 21 Cb 0.65 -1.52 0.12 0.00 0.00 0.00 0.00 33.22 32.47 1je3 n MET 21 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1je3 h LYS 22 N -1.00 0.00 -5.97 0.03 3.64 -1.99 -3.44 116.57 107.83 1je3 h LYS 22 Ca -0.24 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.61 1je3 h LYS 22 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1je3 h LYS 22 CO -0.15 0.00 1.44 1.21 -2.27 0.00 0.00 179.45 179.68 1je3 s ASN 23 N -5.62 5.27 0.19 4.20 3.84 -1.26 -4.96 114.94 116.60 1je3 s ASN 23 Ca 0.04 1.18 -0.14 0.00 0.21 0.00 0.00 52.86 54.15 1je3 s ASN 23 Cb 0.08 -2.52 -0.07 0.00 -0.55 0.00 0.00 41.25 38.19 1je3 s ASN 23 CO 0.71 -2.22 0.58 -0.51 -2.79 0.00 0.00 177.10 172.88 1je3 s ILE 24 N 9.08 4.84 -0.06 -5.21 2.07 -1.26 -4.93 121.20 125.72 1je3 s ILE 24 Ca 0.87 0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 60.85 1je3 s ILE 24 Cb -0.21 -3.70 -0.03 0.00 0.13 0.00 0.00 42.46 38.64 1je3 s ILE 24 CO 0.29 0.12 -0.11 0.52 -1.91 0.00 0.00 174.94 173.86 1je3 n VAL 25 N 0.45 0.65 -1.57 4.00 0.31 -1.26 -4.85 118.33 116.05 1je3 n VAL 25 Ca -0.03 -0.02 -0.33 0.00 -0.01 0.00 0.00 64.34 63.95 1je3 n VAL 25 Cb 0.52 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1je3 s PRO 26 N -2.18 2.04 0.00 5.55 0.04 -1.26 -0.90 135.00 138.28 1je3 s PRO 26 Ca -0.11 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1je3 s PRO 26 Cb 0.04 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1je3 s PRO 26 CO 0.15 -3.44 0.47 -3.47 0.04 0.00 0.00 177.00 170.75 1je3 n ASP 27 N 16.24 0.00 -4.26 6.66 2.03 0.30 -4.84 116.55 132.68 1je3 n ASP 27 Ca 0.38 0.49 -0.14 0.00 0.52 0.00 0.00 54.79 56.03 1je3 n ASP 27 Cb 0.53 -0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1je3 s TYR 28 N -1.12 1.31 -0.02 -0.67 2.02 -1.15 -5.00 117.35 112.72 1je3 s TYR 28 Ca 0.00 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.67 1je3 s TYR 28 Cb 0.00 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.81 1je3 s TYR 28 CO 0.00 -0.22 -0.05 -0.98 -1.57 0.00 0.00 175.55 172.72 1je3 s ARG 29 N -3.93 0.64 -0.60 -0.62 1.70 -1.26 -2.45 118.95 112.42 1je3 s ARG 29 Ca 0.27 -0.17 0.05 0.00 -0.47 0.00 0.00 55.73 55.41 1je3 s ARG 29 Cb 0.06 -0.64 0.20 0.00 -0.57 0.00 0.00 34.95 34.00 1je3 s ARG 29 CO 0.06 0.04 0.53 -0.11 -1.08 0.00 0.00 175.30 174.75 1je3 n LEU 30 N 3.41 2.24 -3.77 -1.89 -0.00 0.74 -4.97 117.00 112.76 1je3 n LEU 30 Ca -0.19 -5.05 -0.40 0.00 -0.00 0.00 0.00 56.01 50.37 1je3 n LEU 30 Cb 0.55 -0.34 -0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1je3 n LEU 30 CO 0.24 1.88 1.04 0.47 -0.00 0.00 0.00 177.39 181.02 1je3 n ASP 31 N 1.81 6.28 0.00 1.96 9.92 -1.25 -0.30 116.55 134.96 1je3 n ASP 31 Ca 0.24 -3.51 0.00 0.00 -0.53 0.00 0.00 54.79 50.99 1je3 n ASP 31 Cb 0.41 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1je3 n MET 32 N 0.78 0.00 -4.24 -1.24 2.81 0.21 -4.82 117.12 110.61 1je3 n MET 32 Ca 0.33 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.05 1je3 n MET 32 Cb 0.32 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.70 1je3 n MET 32 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1je3 s VAL 33 N 1.64 0.64 0.58 2.03 0.11 -1.26 -2.99 120.40 121.15 1je3 s VAL 33 Ca 0.00 -0.54 0.42 0.00 -2.93 0.00 0.00 61.98 58.93 1je3 s VAL 33 Cb 0.00 -0.57 0.43 0.00 -1.53 0.00 0.00 36.38 34.71 1je3 s VAL 33 CO 0.00 0.04 2.31 1.23 -3.33 0.00 0.00 175.10 175.36 1je3 h GLY 34 N 5.56 0.00 -3.12 6.54 0.00 -1.85 -3.44 103.07 106.77 1je3 h GLY 34 Ca -0.32 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.46 1je3 h GLY 34 CO 0.47 0.00 0.62 -2.21 0.00 0.00 0.00 176.54 175.43 1je3 n GLU 35 N -3.13 1.91 -1.54 4.80 2.13 -1.26 -4.78 120.64 118.77 1je3 n GLU 35 Ca -0.02 0.69 -0.19 0.00 0.66 0.00 0.00 57.16 58.29 1je3 n GLU 35 Cb 0.11 -2.58 -0.11 0.00 0.27 0.00 0.00 31.44 29.13 1je3 n GLU 35 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1je3 n PRO 36 N -0.63 0.43 -2.54 5.31 -0.04 -1.26 -4.92 135.00 131.35 1je3 n PRO 36 Ca 0.08 -0.49 -0.24 0.00 -0.04 0.00 0.00 63.50 62.81 1je3 n PRO 36 Cb 0.43 -2.83 0.04 0.00 -0.04 0.00 0.00 33.50 31.10 1je3 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1je3 h PRO 38 N -0.08 -0.40 -2.72 0.00 0.11 -2.00 -3.29 132.00 123.62 1je3 h PRO 38 Ca -0.45 0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.08 1je3 h PRO 38 Cb 1.28 0.09 -0.42 0.00 0.11 0.00 0.00 31.00 32.06 1je3 h PRO 38 CO 0.58 -0.27 -0.63 0.66 -0.21 0.00 0.00 178.00 178.13 1je3 n TYR 39 N -5.42 2.91 0.00 0.65 4.01 -1.26 -5.00 117.16 113.05 1je3 n TYR 39 Ca -0.03 -4.16 0.00 0.00 -0.16 0.00 0.00 57.90 53.55 1je3 n TYR 39 Cb 0.36 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1je3 n PRO 40 N 1.67 0.00 0.00 -0.72 -0.04 -1.24 -4.79 135.00 129.88 1je3 n PRO 40 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1je3 n PRO 40 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1je3 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1je3 n ALA 41 N -3.00 1.16 -0.11 0.55 0.00 -1.26 -2.42 120.51 115.43 1je3 n ALA 41 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 1je3 n ALA 41 Cb 0.00 -0.89 0.71 0.00 0.00 0.00 0.00 19.45 19.27 1je3 n ALA 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1je3 h VAL 42 N 0.00 0.41 -0.15 0.00 3.04 -1.94 0.67 116.25 118.28 1je3 h VAL 42 Ca 0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.48 1je3 h VAL 42 Cb 0.04 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1je3 h VAL 42 CO 0.00 0.00 -0.74 0.00 -1.01 0.00 0.00 177.57 175.82 1je3 h ALA 43 N 1.42 0.29 0.16 3.17 0.00 -1.81 -2.59 119.26 119.90 1je3 h ALA 43 Ca 0.37 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1je3 h ALA 43 Cb 1.69 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1je3 h ALA 43 CO -0.00 0.64 -0.24 1.15 0.00 0.00 0.00 179.25 180.80 1je3 h THR 44 N 0.50 0.48 -0.06 0.00 2.02 0.10 0.36 112.91 116.30 1je3 h THR 44 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1je3 h THR 44 Cb 1.38 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1je3 h THR 44 CO 0.15 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 176.01 1je3 h LEU 45 N -0.46 0.08 -1.83 2.58 3.38 -1.50 -1.78 115.31 115.78 1je3 h LEU 45 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1je3 h LEU 45 Cb 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1je3 h LEU 45 CO -0.10 0.13 0.00 1.05 0.09 0.00 0.00 178.44 179.61 1je3 h GLU 46 N 0.02 0.00 0.00 1.13 4.11 -1.31 -1.57 114.58 116.96 1je3 h GLU 46 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 1je3 h GLU 46 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1je3 h GLU 46 CO -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 179.01 178.48 1je3 h ALA 47 N 2.05 0.94 -0.18 1.06 0.00 0.62 -3.16 119.26 120.59 1je3 h ALA 47 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1je3 h ALA 47 Cb 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1je3 h ALA 47 CO 0.00 0.74 -0.32 0.52 0.00 0.00 0.00 179.25 180.20 1je3 h MET 48 N 0.00 -0.35 -0.27 0.00 2.86 -1.08 0.54 114.93 116.64 1je3 h MET 48 Ca -0.01 0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1je3 h MET 48 Cb 1.10 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1je3 h MET 48 CO 0.08 -0.23 -0.41 -1.00 1.06 0.00 0.00 176.91 176.41 1je3 h PRO 49 N -0.36 0.66 0.00 -0.22 0.13 -1.74 -2.62 132.00 127.85 1je3 h PRO 49 Ca 0.11 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1je3 h PRO 49 Cb 0.54 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1je3 h PRO 49 CO -0.39 0.95 0.00 1.04 -0.23 0.00 0.00 178.00 179.37 1je3 n GLN 50 N -4.03 0.65 -0.84 0.86 6.02 -0.82 -4.88 117.38 114.34 1je3 n GLN 50 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 1je3 n GLN 50 Cb 0.53 -1.21 0.10 0.00 1.02 0.00 0.00 30.24 30.68 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1je3 n LEU 51 N -0.71 -2.11 0.00 1.08 -0.00 0.12 -5.01 117.00 110.36 1je3 n LEU 51 Ca 0.07 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1je3 n LEU 51 Cb 0.03 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1je3 n LEU 51 CO 0.05 -4.12 0.00 0.29 -0.00 0.00 0.00 177.39 173.61 1je3 n LYS 52 N -0.47 0.00 0.00 1.47 4.76 -1.26 -5.06 118.16 117.60 1je3 n LYS 52 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1je3 n LYS 52 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 1je3 n LYS 52 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1je3 n LYS 53 N 0.00 2.78 0.00 1.97 2.85 -1.26 -5.04 118.16 119.45 1je3 n LYS 53 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1je3 n LYS 53 Cb 0.00 -0.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.15 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1je3 n GLY 54 N 0.00 -1.54 2.70 2.58 0.00 -1.26 -4.94 105.19 102.73 1je3 n GLY 54 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.88 1je3 n GLY 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1je3 n GLU 55 N 0.00 0.66 -3.48 1.61 0.00 -1.26 -4.59 120.64 113.58 1je3 n GLU 55 Ca 0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 57.16 54.88 1je3 n GLU 55 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 31.44 31.20 1je3 n GLU 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1je3 s ILE 56 N -1.54 0.00 0.07 3.84 1.01 -0.08 -0.52 121.20 123.98 1je3 s ILE 56 Ca 0.42 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1je3 s ILE 56 Cb -0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1je3 s ILE 56 CO 0.27 -0.01 -0.06 -0.22 0.00 0.00 0.00 174.94 174.91 1je3 s LEU 57 N -1.91 2.41 -0.09 2.97 2.96 0.47 0.11 118.68 125.60 1je3 s LEU 57 Ca -0.05 -0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 53.00 1je3 s LEU 57 Cb -0.00 -0.05 0.04 0.00 0.50 0.00 0.00 46.19 46.67 1je3 s LEU 57 CO -0.01 -0.39 0.08 -1.61 -1.32 0.00 0.00 176.35 173.10 1je3 s GLU 58 N -2.98 -0.02 -0.24 1.98 2.02 -1.03 -3.14 118.70 115.29 1je3 s GLU 58 Ca 0.03 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.26 1je3 s GLU 58 Cb -0.00 -0.95 0.04 0.00 0.10 0.00 0.00 34.13 33.32 1je3 s GLU 58 CO -0.04 -0.45 -0.11 0.08 0.02 0.00 0.00 175.26 174.77 1je3 s VAL 59 N 2.17 2.40 -0.50 2.63 1.01 0.15 -0.18 120.40 128.08 1je3 s VAL 59 Ca 0.04 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.75 1je3 s VAL 59 Cb -0.13 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 34.10 1je3 s VAL 59 CO -0.05 0.15 0.25 -0.69 0.00 0.00 0.00 175.10 174.76 1je3 s VAL 60 N 1.22 2.73 0.25 2.92 1.01 0.58 -0.74 120.40 128.37 1je3 s VAL 60 Ca -0.03 -3.06 0.02 0.00 0.00 0.00 0.00 61.98 58.90 1je3 s VAL 60 Cb -0.17 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1je3 s VAL 60 CO -0.06 -0.77 0.06 -0.94 0.00 0.00 0.00 175.10 173.39 1je3 s SER 61 N 0.12 1.47 -0.20 3.32 1.04 -1.13 -0.62 113.70 117.70 1je3 s SER 61 Ca 0.16 -1.33 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 1je3 s SER 61 Cb -0.24 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1je3 s SER 61 CO -0.02 -0.66 -0.14 1.51 0.98 0.00 0.00 173.24 174.91 1je3 s ASP 62 N -3.32 3.62 -0.06 7.02 1.47 -1.16 -2.57 116.67 121.67 1je3 s ASP 62 Ca 0.34 -0.70 -0.01 0.00 1.18 0.00 0.00 52.55 53.36 1je3 s ASP 62 Cb 0.07 -1.56 0.03 0.00 -0.34 0.00 0.00 42.92 41.12 1je3 s ASP 62 CO 0.12 -0.04 0.02 0.00 0.68 0.00 0.00 175.17 175.96 1je3 h PRO 64 N 8.30 0.00 -7.01 0.00 0.11 -1.98 -3.42 132.00 128.00 1je3 h PRO 64 Ca -0.18 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.45 1je3 h PRO 64 Cb 1.12 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.28 1je3 h PRO 64 CO 0.23 0.00 0.11 -0.65 -0.21 0.00 0.00 178.00 177.48 1je3 s GLN 65 N -4.65 3.03 0.11 1.05 -1.52 -1.26 -5.01 119.66 111.42 1je3 s GLN 65 Ca -0.05 -0.08 0.20 0.00 -1.95 0.00 0.00 55.36 53.48 1je3 s GLN 65 Cb 0.15 -2.34 -0.09 0.00 -0.22 0.00 0.00 33.01 30.51 1je3 s GLN 65 CO 0.55 -0.54 0.88 0.43 -0.25 0.00 0.00 175.29 176.36 1je3 n SER 66 N -2.44 0.77 -4.66 5.90 7.64 -1.26 -4.90 113.62 114.68 1je3 n SER 66 Ca 0.03 0.32 -0.46 0.00 1.01 0.00 0.00 58.87 59.78 1je3 n SER 66 Cb 0.57 0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 64.17 1je3 n SER 66 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1je3 n ILE 67 N -2.74 0.62 -2.25 0.44 2.08 -1.26 -4.90 119.36 111.35 1je3 n ILE 67 Ca -0.05 -0.16 -0.43 0.00 0.56 0.00 0.00 62.75 62.67 1je3 n ILE 67 Cb 0.69 -2.11 -0.02 0.00 -0.75 0.00 0.00 39.64 37.46 1je3 n ILE 67 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1je3 s ASN 68 N 4.76 6.71 0.00 4.38 4.22 -1.26 -4.95 114.94 128.80 1je3 s ASN 68 Ca 0.93 1.75 0.00 0.00 -2.14 0.00 0.00 52.86 53.40 1je3 s ASN 68 Cb -0.57 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.43 1je3 s ASN 68 CO 0.46 -0.96 0.26 0.59 -2.04 0.00 0.00 177.10 175.42 1je3 n ASN 69 N 7.29 0.00 -0.16 3.54 3.02 -1.26 -2.74 115.26 124.95 1je3 n ASN 69 Ca 0.16 0.40 -0.04 0.00 -0.03 0.00 0.00 54.58 55.07 1je3 n ASN 69 Cb 0.45 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1je3 h ILE 70 N 0.00 0.36 -0.79 2.41 1.08 -1.92 -1.15 117.51 117.50 1je3 h ILE 70 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1je3 h ILE 70 Cb 0.00 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.06 1je3 h ILE 70 CO 0.00 0.00 0.51 -0.65 -0.69 0.00 0.00 178.15 177.32 1je3 h PRO 71 N -0.09 0.80 -0.53 2.37 0.11 -1.98 -1.39 132.00 131.28 1je3 h PRO 71 Ca 0.24 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.38 1je3 h PRO 71 Cb 0.46 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1je3 h PRO 71 CO -0.57 0.53 0.36 1.25 -0.21 0.00 0.00 178.00 179.36 1je3 h LEU 72 N 0.82 0.36 0.58 2.35 6.46 -1.01 0.12 115.31 124.99 1je3 h LEU 72 Ca 0.34 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1je3 h LEU 72 Cb 0.28 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1je3 h LEU 72 CO -0.12 0.22 -0.28 0.44 -0.62 0.00 0.00 178.44 178.08 1je3 h ASP 73 N 0.40 -0.66 -0.44 1.25 5.19 -1.15 -1.55 116.42 119.46 1je3 h ASP 73 Ca 0.24 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1je3 h ASP 73 Cb 0.42 0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1je3 h ASP 73 CO -0.06 -0.27 0.24 0.00 -3.12 0.00 0.00 179.24 176.03 1je3 h ALA 74 N -0.99 1.55 -0.39 3.45 0.00 -1.47 -1.98 119.26 119.43 1je3 h ALA 74 Ca -0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1je3 h ALA 74 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1je3 h ALA 74 CO 0.13 0.37 -0.09 -0.09 0.00 0.00 0.00 179.25 179.56 1je3 h ARG 75 N 0.65 0.67 0.57 0.00 2.43 -0.77 0.14 114.38 118.08 1je3 h ARG 75 Ca 0.17 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1je3 h ARG 75 Cb 0.04 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1je3 h ARG 75 CO -0.03 0.76 -0.46 -0.97 -1.51 0.00 0.00 179.97 177.76 1je3 h ASN 76 N 0.62 -1.24 0.59 -3.80 -1.24 -0.48 -3.29 115.58 106.74 1je3 h ASN 76 Ca 0.11 0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 1je3 h ASN 76 Cb 0.53 0.39 0.01 0.00 0.73 0.00 0.00 38.32 39.97 1je3 h ASN 76 CO 0.03 -0.65 -0.29 0.45 -1.29 0.00 0.00 177.43 175.69 1je3 h HIS 77 N -1.00 -0.74 0.00 0.67 3.86 -1.54 -3.49 115.15 112.90 1je3 h HIS 77 Ca -0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1je3 h HIS 77 Cb 0.84 0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1je3 h HIS 77 CO -0.18 -0.46 0.00 0.41 0.86 0.00 0.00 177.93 178.56 1je3 n GLY 78 N -0.25 1.31 0.00 2.45 0.00 0.48 -5.13 105.19 104.04 1je3 n GLY 78 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1je3 n GLY 78 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1je3 n TYR 79 N 0.00 0.00 0.00 1.61 4.19 -1.05 -5.03 117.16 116.89 1je3 n TYR 79 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1je3 n TYR 79 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1je3 n THR 80 N 0.00 0.00 -4.44 2.97 -1.04 -1.26 -4.98 114.28 105.53 1je3 n THR 80 Ca 0.00 0.23 -0.32 0.00 -2.04 0.00 0.00 64.05 61.92 1je3 n THR 80 Cb 0.00 -1.05 -0.16 0.00 -1.82 0.00 0.00 70.33 67.29 1je3 n THR 80 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1je3 s VAL 81 N -0.47 2.02 -0.28 12.58 1.01 -0.10 -5.00 120.40 130.16 1je3 s VAL 81 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1je3 s VAL 81 Cb 0.00 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.66 1je3 s VAL 81 CO 0.00 0.54 -0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1je3 s LEU 82 N 1.02 3.40 0.10 3.92 2.01 -1.26 -1.84 118.68 126.03 1je3 s LEU 82 Ca -0.02 -1.60 0.03 0.00 0.01 0.00 0.00 54.13 52.54 1je3 s LEU 82 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 46.19 44.66 1je3 s LEU 82 CO -0.06 -0.30 -0.08 -1.81 1.01 0.00 0.00 176.35 175.11 1je3 s ASP 83 N 1.21 1.31 0.33 2.29 1.01 -0.84 -5.05 116.67 116.92 1je3 s ASP 83 Ca 0.01 -0.90 0.07 0.00 0.71 0.00 0.00 52.55 52.44 1je3 s ASP 83 Cb -0.19 0.05 -0.03 0.00 1.01 0.00 0.00 42.92 43.76 1je3 s ASP 83 CO -0.09 -0.36 0.28 0.27 0.21 0.00 0.00 175.17 175.48 1je3 s ILE 84 N -3.00 0.00 0.22 0.77 -4.36 -1.26 -1.51 121.20 112.05 1je3 s ILE 84 Ca 0.08 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 1je3 s ILE 84 Cb 0.01 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.23 1je3 s ILE 84 CO -0.02 0.00 0.50 -1.58 0.24 0.00 0.00 174.94 174.08 1je3 s GLN 85 N -3.44 1.45 -0.11 0.37 0.74 0.15 -4.98 119.66 113.85 1je3 s GLN 85 Ca 0.41 -1.03 0.02 0.00 0.05 0.00 0.00 55.36 54.80 1je3 s GLN 85 Cb 0.02 0.50 0.02 0.00 1.10 0.00 0.00 33.01 34.65 1je3 s GLN 85 CO 0.28 -0.61 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.13 1je3 s GLN 86 N -3.93 2.11 -0.40 1.67 0.74 -1.26 -2.78 119.66 115.80 1je3 s GLN 86 Ca 0.14 -0.52 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1je3 s GLN 86 Cb -0.01 -1.82 0.16 0.00 1.10 0.00 0.00 33.01 32.44 1je3 s GLN 86 CO 0.02 -0.08 0.32 0.34 -0.55 0.00 0.00 175.29 175.34 1je3 s ASP 87 N 1.04 1.69 0.45 6.67 2.15 -1.04 -4.99 116.67 122.65 1je3 s ASP 87 Ca -0.06 -2.85 -0.22 0.00 0.43 0.00 0.00 52.55 49.85 1je3 s ASP 87 Cb -0.15 -0.38 -0.11 0.00 -0.30 0.00 0.00 42.92 41.98 1je3 s ASP 87 CO -0.02 -0.20 0.74 0.61 -0.17 0.00 0.00 175.17 176.13 1je3 n GLY 88 N 3.12 -0.96 2.13 2.66 0.00 -1.26 -0.88 105.19 109.99 1je3 n GLY 88 Ca 0.26 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 1je3 n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1je3 n PRO 89 N 0.25 2.08 -2.38 1.61 -0.04 -1.26 -5.04 135.00 130.22 1je3 n PRO 89 Ca 0.11 -1.98 -0.04 0.00 -0.04 0.00 0.00 63.50 61.55 1je3 n PRO 89 Cb 0.41 -1.85 -0.01 0.00 -0.04 0.00 0.00 33.50 32.01 1je3 n PRO 89 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1je3 n THR 90 N 0.39 0.00 -3.76 0.52 -2.24 -0.06 -4.90 114.28 104.24 1je3 n THR 90 Ca 0.39 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1je3 n THR 90 Cb 0.57 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 1je3 n THR 90 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1je3 s ILE 91 N -2.38 0.01 -0.06 2.28 2.07 -1.06 -2.49 121.20 119.57 1je3 s ILE 91 Ca 0.08 -0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1je3 s ILE 91 Cb 0.00 -0.52 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 1je3 s ILE 91 CO 0.06 -0.07 -0.19 -0.60 -1.91 0.00 0.00 174.94 172.23 1je3 s ARG 92 N -0.21 2.22 0.09 3.50 3.52 -1.12 -2.82 118.95 124.12 1je3 s ARG 92 Ca -0.04 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 54.96 1je3 s ARG 92 Cb -0.03 -1.82 -0.03 0.00 -1.56 0.00 0.00 34.95 31.51 1je3 s ARG 92 CO 0.01 0.21 -0.22 0.71 -0.81 0.00 0.00 175.30 175.20 1je3 s TYR 93 N 0.19 1.93 -0.00 5.12 1.51 0.09 -0.67 117.35 125.51 1je3 s TYR 93 Ca -0.09 -0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 55.34 1je3 s TYR 93 Cb -0.14 -1.09 0.05 0.00 -0.11 0.00 0.00 41.96 40.67 1je3 s TYR 93 CO 0.04 0.19 0.49 -0.48 -1.11 0.00 0.00 175.55 174.69 1je3 s LEU 94 N -1.68 0.09 0.09 -1.29 2.34 -0.57 0.29 118.68 117.95 1je3 s LEU 94 Ca 0.08 0.30 0.02 0.00 0.06 0.00 0.00 54.13 54.59 1je3 s LEU 94 Cb -0.10 1.94 -0.04 0.00 -0.56 0.00 0.00 46.19 47.43 1je3 s LEU 94 CO 0.04 -0.59 -0.06 0.27 -1.06 0.00 0.00 176.35 174.94 1je3 s ILE 95 N -1.69 0.63 0.02 1.48 -5.25 -1.19 -1.99 121.20 113.21 1je3 s ILE 95 Ca -0.10 -1.78 -0.20 0.00 -0.99 0.00 0.00 60.65 57.58 1je3 s ILE 95 Cb -0.02 -1.49 0.04 0.00 2.95 0.00 0.00 42.46 43.94 1je3 s ILE 95 CO 0.04 -0.80 0.45 0.00 -1.79 0.00 0.00 174.94 172.84 1je3 s GLN 96 N -3.47 0.92 0.00 0.37 -2.07 -0.77 -0.40 119.66 114.26 1je3 s GLN 96 Ca 0.08 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.38 1je3 s GLN 96 Cb 0.03 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1je3 s GLN 96 CO -0.04 -0.31 0.40 1.17 -1.32 0.00 0.00 175.29 175.19