#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1je3 n GLY 2 N 0.00 0.54 0.55 3.03 0.00 -1.26 -4.84 105.19 103.22 1je3 n GLY 2 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1je3 n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1je3 n SER 3 N 0.00 1.77 -4.56 1.61 7.64 -1.26 -5.01 113.62 113.82 1je3 n SER 3 Ca 0.00 -3.83 -0.38 0.00 1.01 0.00 0.00 58.87 55.67 1je3 n SER 3 Cb 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 1je3 n SER 3 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1je3 s SER 4 N -3.20 4.98 -0.38 6.43 1.04 -1.26 -4.94 113.70 116.38 1je3 s SER 4 Ca 0.37 0.85 -0.16 0.00 0.48 0.00 0.00 55.95 57.50 1je3 s SER 4 Cb 0.36 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1je3 s SER 4 CO -0.06 -2.50 0.37 -1.00 0.98 0.00 0.00 173.24 171.03 1je3 s HIS 5 N 10.16 3.20 -1.26 5.02 0.09 -1.26 -4.92 115.29 126.31 1je3 s HIS 5 Ca 0.84 -0.23 -0.09 0.00 -0.00 0.00 0.00 55.06 55.58 1je3 s HIS 5 Cb -0.17 -2.72 0.18 0.00 -0.00 0.00 0.00 32.58 29.88 1je3 s HIS 5 CO 0.25 -0.53 1.84 0.72 -0.00 0.00 0.00 174.74 177.02 1je3 n HIS 6 N 5.40 2.88 -3.23 1.40 -0.00 -1.26 -4.91 115.22 115.50 1je3 n HIS 6 Ca -0.09 -2.77 -0.46 0.00 -0.00 0.00 0.00 57.72 54.40 1je3 n HIS 6 Cb 0.48 -1.89 -0.02 0.00 -0.00 0.00 0.00 29.99 28.56 1je3 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 7 N 0.12 3.60 0.00 4.41 0.09 -1.26 -4.94 115.29 117.30 1je3 s HIS 7 Ca 0.39 -1.84 0.00 0.00 -0.00 0.00 0.00 55.06 53.61 1je3 s HIS 7 Cb 0.09 -3.94 0.00 0.00 -0.00 0.00 0.00 32.58 28.74 1je3 s HIS 7 CO 0.01 -1.12 0.00 0.72 -0.00 0.00 0.00 174.74 174.36 1je3 n HIS 8 N 4.63 0.00 -3.48 1.40 -0.00 -1.26 -5.12 115.22 111.39 1je3 n HIS 8 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1je3 n HIS 8 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1je3 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1je3 n HIS 9 N 0.00 -0.01 -3.91 4.41 -0.00 -1.26 -5.16 115.22 109.29 1je3 n HIS 9 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 1je3 n HIS 9 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1je3 n HIS 9 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1je3 s HIS 10 N -1.60 3.53 -0.23 4.41 5.65 -1.26 -5.07 115.29 120.72 1je3 s HIS 10 Ca 0.00 0.31 -0.27 0.00 0.25 0.00 0.00 55.06 55.35 1je3 s HIS 10 Cb 0.00 -1.80 0.00 0.00 -1.18 0.00 0.00 32.58 29.60 1je3 s HIS 10 CO 0.00 0.61 0.92 -1.54 -0.65 0.00 0.00 174.74 174.08 1je3 s SER 11 N -2.25 6.97 -0.40 9.88 1.04 -1.26 -4.93 113.70 122.74 1je3 s SER 11 Ca 0.32 1.21 0.05 0.00 0.48 0.00 0.00 55.95 58.00 1je3 s SER 11 Cb -0.13 -2.48 0.46 0.00 0.10 0.00 0.00 66.02 63.97 1je3 s SER 11 CO 0.24 -0.57 1.43 -0.24 0.98 0.00 0.00 173.24 175.08 1je3 n SER 12 N 6.04 5.64 -4.70 7.02 2.88 -1.26 -5.06 113.62 124.18 1je3 n SER 12 Ca 0.08 -3.76 -0.31 0.00 -1.33 0.00 0.00 58.87 53.55 1je3 n SER 12 Cb 0.47 -0.52 0.14 0.00 -0.75 0.00 0.00 64.21 63.55 1je3 n SER 12 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1je3 s GLY 13 N -3.09 1.67 0.00 0.46 0.00 -1.26 -4.93 107.32 100.18 1je3 s GLY 13 Ca 0.55 0.41 0.23 0.00 0.00 0.00 0.00 44.72 45.90 1je3 s GLY 13 CO 0.02 0.82 1.52 1.47 0.00 0.00 0.00 173.10 176.93 1je3 n LEU 14 N -4.00 2.17 -4.39 0.66 -0.00 -1.26 -4.83 117.00 105.36 1je3 n LEU 14 Ca 0.10 -0.87 -0.35 0.00 -0.00 0.00 0.00 56.01 54.90 1je3 n LEU 14 Cb 0.53 -0.11 -0.13 0.00 -0.00 0.00 0.00 43.42 43.71 1je3 n LEU 14 CO 0.51 0.43 -0.35 0.54 -0.00 0.00 0.00 177.39 178.53 1je3 s VAL 15 N -1.79 3.73 0.00 1.47 0.11 -1.26 -5.04 120.40 117.62 1je3 s VAL 15 Ca 0.34 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1je3 s VAL 15 Cb 0.19 -2.70 -0.01 0.00 -1.53 0.00 0.00 36.38 32.34 1je3 s VAL 15 CO 0.29 0.42 0.66 1.55 -3.33 0.00 0.00 175.10 174.69 1je3 h PRO 16 N 7.84 -0.04 0.00 1.54 0.13 -2.04 -3.47 132.00 135.96 1je3 h PRO 16 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1je3 h PRO 16 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1je3 h PRO 16 CO 0.60 -0.03 0.00 0.54 -0.23 0.00 0.00 178.00 178.88 1je3 n ARG 17 N -2.15 0.00 -3.62 0.86 1.74 -1.26 -5.08 116.66 107.15 1je3 n ARG 17 Ca -0.01 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 1je3 n ARG 17 Cb 0.02 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.29 1je3 n ARG 17 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1je3 s GLY 18 N -0.84 0.30 -0.18 -0.13 0.00 -1.26 -4.99 107.32 100.22 1je3 s GLY 18 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 44.72 44.68 1je3 s GLY 18 CO 0.00 1.67 1.51 -1.14 0.00 0.00 0.00 173.10 175.15 1je3 n SER 19 N 5.29 4.75 -0.06 1.64 3.41 -1.26 -4.39 113.62 123.00 1je3 n SER 19 Ca -0.06 -2.70 -0.05 0.00 -0.26 0.00 0.00 58.87 55.80 1je3 n SER 19 Cb 0.49 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1je3 n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1je3 n HIS 20 N 0.56 0.43 -2.22 7.33 8.25 -1.26 -4.64 115.22 123.67 1je3 n HIS 20 Ca 0.22 0.19 -0.43 0.00 -0.26 0.00 0.00 57.72 57.45 1je3 n HIS 20 Cb 0.99 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 -3.99 3.18 0.00 -0.41 2.81 -1.26 -4.29 117.12 113.15 1je3 n MET 21 Ca -0.07 -3.13 0.00 0.00 -1.81 0.00 0.00 57.70 52.69 1je3 n MET 21 Cb 0.27 -3.22 0.00 0.00 -0.71 0.00 0.00 33.22 29.56 1je3 n MET 21 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1je3 n LYS 22 N 6.05 1.61 -1.44 0.03 3.00 -1.26 -5.08 118.16 121.07 1je3 n LYS 22 Ca 0.47 -0.17 -0.29 0.00 -0.00 0.00 0.00 58.31 58.31 1je3 n LYS 22 Cb 0.40 -0.58 0.23 0.00 0.00 0.00 0.00 35.03 35.08 1je3 n LYS 22 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1je3 n ASN 23 N -0.28 -1.05 -4.56 3.14 3.02 -1.26 -4.92 115.26 109.36 1je3 n ASN 23 Ca 0.00 -1.31 -0.40 0.00 -0.03 0.00 0.00 54.58 52.84 1je3 n ASN 23 Cb 0.05 -1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 38.19 1je3 n ASN 23 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1je3 s ILE 24 N -3.40 3.47 -0.08 2.41 1.09 -1.26 -4.98 121.20 118.45 1je3 s ILE 24 Ca 0.73 0.31 -0.19 0.00 -1.10 0.00 0.00 60.65 60.40 1je3 s ILE 24 Cb -0.05 -4.11 -0.05 0.00 -1.06 0.00 0.00 42.46 37.19 1je3 s ILE 24 CO 0.53 -1.04 0.51 0.68 -0.10 0.00 0.00 174.94 175.53 1je3 s VAL 25 N 8.08 5.10 0.00 2.92 -7.23 -1.26 -4.84 120.40 123.17 1je3 s VAL 25 Ca 0.62 1.05 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 1je3 s VAL 25 Cb -0.12 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1je3 s VAL 25 CO 0.21 0.37 0.18 -2.65 -0.31 0.00 0.00 175.10 172.90 1je3 n PRO 26 N 3.28 0.00 -3.92 4.82 -0.02 -1.26 -4.89 135.00 133.01 1je3 n PRO 26 Ca -0.07 0.03 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1je3 n PRO 26 Cb 0.52 -0.68 0.01 0.00 -0.02 0.00 0.00 33.50 33.32 1je3 n PRO 26 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1je3 n ASP 27 N -0.21 -4.58 -4.89 2.55 5.75 0.36 -4.91 116.55 110.62 1je3 n ASP 27 Ca 0.00 -1.12 -0.21 0.00 -0.01 0.00 0.00 54.79 53.45 1je3 n ASP 27 Cb 0.00 -1.78 -0.03 0.00 -1.03 0.00 0.00 41.12 38.27 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1je3 s TYR 28 N -3.26 3.25 -0.07 2.11 2.02 -1.19 -4.91 117.35 115.30 1je3 s TYR 28 Ca 0.26 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 1je3 s TYR 28 Cb -0.14 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1je3 s TYR 28 CO 0.93 0.45 -0.12 -0.98 -1.57 0.00 0.00 175.55 174.26 1je3 s ARG 29 N -3.92 1.73 -0.66 -0.62 1.70 -1.24 0.73 118.95 116.66 1je3 s ARG 29 Ca 0.34 -0.42 0.05 0.00 -0.47 0.00 0.00 55.73 55.24 1je3 s ARG 29 Cb -0.08 -1.44 0.19 0.00 -0.57 0.00 0.00 34.95 33.05 1je3 s ARG 29 CO 0.27 0.01 0.55 -0.11 -1.08 0.00 0.00 175.30 174.94 1je3 n LEU 30 N 3.87 2.85 -3.88 -1.89 -0.00 0.46 -4.98 117.00 113.44 1je3 n LEU 30 Ca -0.22 -5.19 -0.41 0.00 -0.00 0.00 0.00 56.01 50.18 1je3 n LEU 30 Cb 0.52 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1je3 n LEU 30 CO 0.25 1.85 1.09 -0.90 -0.00 0.00 0.00 177.39 179.68 1je3 n ASP 31 N 1.73 6.36 0.00 1.96 5.68 -1.25 -0.14 116.55 130.89 1je3 n ASP 31 Ca 0.23 -3.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.05 1je3 n ASP 31 Cb 0.38 -1.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1je3 n MET 32 N 1.01 0.00 -4.15 0.11 2.81 -0.29 -4.87 117.12 111.74 1je3 n MET 32 Ca 0.30 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.04 1je3 n MET 32 Cb 0.33 0.00 -0.13 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 2.22 0.50 -0.33 2.03 0.11 -1.26 -2.77 120.40 120.90 1je3 s VAL 33 Ca 0.00 -0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 58.23 1je3 s VAL 33 Cb 0.00 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1je3 s VAL 33 CO 0.00 -0.04 1.64 -0.83 -3.33 0.00 0.00 175.10 172.54 1je3 s GLY 34 N -0.63 0.98 -0.01 6.54 0.00 -1.20 -4.84 107.32 108.17 1je3 s GLY 34 Ca -0.02 0.19 0.07 0.00 0.00 0.00 0.00 44.72 44.97 1je3 s GLY 34 CO 0.00 3.06 -0.22 1.85 0.00 0.00 0.00 173.10 177.79 1je3 s GLU 35 N 5.21 1.77 0.17 2.90 2.12 -1.26 -4.93 118.70 124.68 1je3 s GLU 35 Ca 0.72 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 55.11 1je3 s GLU 35 Cb -0.20 -1.74 0.07 0.00 0.26 0.00 0.00 34.13 32.51 1je3 s GLU 35 CO 0.32 0.47 1.68 -1.35 -0.54 0.00 0.00 175.26 175.85 1je3 h PRO 36 N 5.47 0.96 -6.39 4.30 0.11 -2.00 -3.43 132.00 131.02 1je3 h PRO 36 Ca -0.41 -0.23 -0.61 0.00 0.11 0.00 0.00 66.00 64.86 1je3 h PRO 36 Cb 1.14 -0.12 0.04 0.00 0.11 0.00 0.00 31.00 32.16 1je3 h PRO 36 CO 0.47 0.88 0.88 0.00 -0.21 0.00 0.00 178.00 180.02 1je3 s PRO 38 N 2.11 1.69 0.11 0.00 0.02 -1.26 -4.30 135.00 133.37 1je3 s PRO 38 Ca 0.85 0.19 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1je3 s PRO 38 Cb -0.73 -4.87 0.00 0.00 0.02 0.00 0.00 34.50 28.93 1je3 s PRO 38 CO 0.45 -4.46 0.00 0.98 -0.33 0.00 0.00 177.00 173.64 1je3 n TYR 39 N 18.09 -0.97 0.00 6.54 4.19 -1.26 -4.86 117.16 138.89 1je3 n TYR 39 Ca 0.45 0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.83 1je3 n TYR 39 Cb 0.44 0.53 0.00 0.00 0.49 0.00 0.00 39.34 40.80 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1je3 n PRO 40 N -2.88 0.00 0.00 2.98 -0.04 -1.26 -3.34 135.00 130.47 1je3 n PRO 40 Ca 0.00 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1je3 n PRO 40 Cb 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.92 1.33 -0.31 0.55 0.00 -1.26 -3.11 120.51 115.79 1je3 n ALA 41 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.74 1je3 n ALA 41 Cb 0.00 -0.88 0.65 0.00 0.00 0.00 0.00 19.45 19.22 1je3 n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1je3 h VAL 42 N 0.00 0.46 -0.15 0.00 2.07 -1.88 0.55 116.25 117.30 1je3 h VAL 42 Ca 0.00 -0.05 -0.20 0.00 0.82 0.00 0.00 66.70 67.27 1je3 h VAL 42 Cb 0.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1je3 h VAL 42 CO 0.00 0.03 -0.71 0.00 0.02 0.00 0.00 177.57 176.91 1je3 h ALA 43 N 1.51 0.46 0.73 1.67 0.00 -1.81 -2.92 119.26 118.91 1je3 h ALA 43 Ca 0.56 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1je3 h ALA 43 Cb 1.91 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1je3 h ALA 43 CO -0.13 0.71 -0.45 1.15 0.00 0.00 0.00 179.25 180.53 1je3 h THR 44 N 0.46 0.09 -0.42 0.00 2.02 -0.17 -0.16 112.91 114.74 1je3 h THR 44 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 1je3 h THR 44 Cb 1.31 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1je3 h THR 44 CO 0.14 0.00 0.28 0.25 0.37 0.00 0.00 175.52 176.56 1je3 h LEU 45 N -1.12 0.27 -0.90 2.58 5.85 -1.52 0.43 115.31 120.90 1je3 h LEU 45 Ca -0.10 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1je3 h LEU 45 Cb 0.90 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1je3 h LEU 45 CO 0.10 0.18 -0.48 1.05 -0.34 0.00 0.00 178.44 178.95 1je3 h GLU 46 N 0.31 0.00 0.00 1.25 4.11 -1.26 -2.90 114.58 116.09 1je3 h GLU 46 Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.52 1je3 h GLU 46 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1je3 h GLU 46 CO -0.04 0.48 -0.44 0.00 0.07 0.00 0.00 179.01 179.08 1je3 h ALA 47 N 1.52 0.97 0.03 1.06 0.00 0.97 -3.13 119.26 120.68 1je3 h ALA 47 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1je3 h ALA 47 Cb 0.96 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1je3 h ALA 47 CO 0.06 0.55 -0.29 0.52 0.00 0.00 0.00 179.25 180.09 1je3 h MET 48 N 0.00 -0.44 -0.30 0.00 2.86 -1.26 0.12 114.93 115.91 1je3 h MET 48 Ca -0.00 0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 1je3 h MET 48 Cb 0.97 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1je3 h MET 48 CO 0.06 -0.29 -0.52 -1.00 1.06 0.00 0.00 176.91 176.21 1je3 h PRO 49 N -0.46 0.87 0.00 -0.22 0.13 -1.72 -2.80 132.00 127.81 1je3 h PRO 49 Ca 0.06 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1je3 h PRO 49 Cb 0.53 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1je3 h PRO 49 CO -0.23 1.17 0.00 1.04 -0.23 0.00 0.00 178.00 179.75 1je3 n GLN 50 N -4.01 0.65 -1.37 0.86 6.02 -1.06 -4.88 117.38 113.58 1je3 n GLN 50 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.57 1je3 n GLN 50 Cb 0.61 -1.15 0.03 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.65 -0.81 0.00 1.08 -0.00 0.40 -4.90 117.00 112.12 1je3 n LEU 51 Ca 0.05 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1je3 n LEU 51 Cb 0.02 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1je3 n LEU 51 CO 0.04 -3.69 0.00 0.29 -0.00 0.00 0.00 177.39 174.03 1je3 n LYS 52 N 0.46 0.00 -0.25 1.47 4.76 -1.26 -5.02 118.16 118.32 1je3 n LYS 52 Ca 0.10 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.57 1je3 n LYS 52 Cb 0.48 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.80 1je3 n LYS 52 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1je3 n LYS 53 N 0.00 2.11 -2.69 1.97 5.02 -1.26 -4.32 118.16 118.99 1je3 n LYS 53 Ca 0.00 -1.06 -0.06 0.00 -2.02 0.00 0.00 58.31 55.18 1je3 n LYS 53 Cb 0.00 -1.57 0.08 0.00 -0.02 0.00 0.00 35.03 33.52 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1je3 n GLY 54 N 0.47 -0.95 3.83 0.72 0.00 -1.26 -5.01 105.19 102.98 1je3 n GLY 54 Ca 0.09 0.64 -0.35 0.00 0.00 0.00 0.00 46.02 46.41 1je3 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1je3 s GLU 55 N 0.23 4.10 0.02 1.61 2.12 -1.26 -4.53 118.70 120.99 1je3 s GLU 55 Ca 0.25 0.71 -0.22 0.00 0.36 0.00 0.00 54.97 56.07 1je3 s GLU 55 Cb 0.25 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.97 1je3 s GLU 55 CO -0.14 0.32 0.50 0.42 -0.54 0.00 0.00 175.26 175.82 1je3 s ILE 56 N -1.69 0.03 0.14 -3.70 1.09 -1.26 -0.10 121.20 115.71 1je3 s ILE 56 Ca 0.46 -0.27 -0.04 0.00 -1.10 0.00 0.00 60.65 59.70 1je3 s ILE 56 Cb -0.14 -0.93 -0.03 0.00 -1.06 0.00 0.00 42.46 40.30 1je3 s ILE 56 CO 0.20 -0.15 0.14 -0.22 -0.10 0.00 0.00 174.94 174.80 1je3 s LEU 57 N -1.78 1.50 -0.14 2.97 2.96 0.68 0.14 118.68 125.02 1je3 s LEU 57 Ca -0.07 -1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 1je3 s LEU 57 Cb -0.01 0.63 0.04 0.00 0.50 0.00 0.00 46.19 47.35 1je3 s LEU 57 CO 0.01 -0.78 0.34 -1.61 -1.32 0.00 0.00 176.35 172.99 1je3 s GLU 58 N -4.01 0.36 -0.02 1.98 2.02 0.22 -3.20 118.70 116.05 1je3 s GLU 58 Ca 0.21 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.78 1je3 s GLU 58 Cb 0.06 0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1je3 s GLU 58 CO 0.00 -0.10 -0.01 0.08 0.02 0.00 0.00 175.26 175.25 1je3 s VAL 59 N 0.76 0.18 -0.43 2.63 1.01 0.21 -0.40 120.40 124.35 1je3 s VAL 59 Ca -0.05 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1je3 s VAL 59 Cb -0.06 -0.25 0.16 0.00 0.00 0.00 0.00 36.38 36.24 1je3 s VAL 59 CO -0.05 0.12 0.32 -0.69 0.00 0.00 0.00 175.10 174.80 1je3 s VAL 60 N 0.75 0.67 0.44 2.92 1.01 0.80 -1.01 120.40 125.98 1je3 s VAL 60 Ca -0.08 -2.62 0.03 0.00 0.00 0.00 0.00 61.98 59.32 1je3 s VAL 60 Cb -0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1je3 s VAL 60 CO -0.01 -1.13 0.04 -0.94 0.00 0.00 0.00 175.10 173.06 1je3 s SER 61 N 0.13 3.49 -0.14 3.32 1.04 -0.98 -1.14 113.70 119.42 1je3 s SER 61 Ca 0.28 -1.55 0.01 0.00 0.48 0.00 0.00 55.95 55.16 1je3 s SER 61 Cb -0.05 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1je3 s SER 61 CO -0.13 -0.75 -0.18 -0.62 0.98 0.00 0.00 173.24 172.54 1je3 s ASP 62 N -3.72 3.46 -0.08 7.02 -1.08 -1.11 -2.03 116.67 119.13 1je3 s ASP 62 Ca 0.21 -0.51 -0.24 0.00 -0.52 0.00 0.00 52.55 51.49 1je3 s ASP 62 Cb 0.05 -1.52 0.05 0.00 -1.46 0.00 0.00 42.92 40.04 1je3 s ASP 62 CO 0.11 0.09 0.55 0.00 0.52 0.00 0.00 175.17 176.44 1je3 n PRO 64 N 1.46 1.06 -4.36 0.00 -0.04 -1.26 -4.82 135.00 127.03 1je3 n PRO 64 Ca -0.18 -0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.00 1je3 n PRO 64 Cb 0.56 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1je3 n PRO 64 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1je3 s GLN 65 N -1.98 1.36 -0.05 0.54 2.00 -1.26 -5.07 119.66 115.20 1je3 s GLN 65 Ca 0.25 -1.64 -0.24 0.00 -2.00 0.00 0.00 55.36 51.73 1je3 s GLN 65 Cb 0.11 -1.03 -0.19 0.00 0.80 0.00 0.00 33.01 32.70 1je3 s GLN 65 CO 0.19 0.11 1.03 0.77 -0.50 0.00 0.00 175.29 176.89 1je3 h SER 66 N 2.50 -0.10 -3.89 6.67 0.02 -2.01 -3.44 113.55 113.29 1je3 h SER 66 Ca -0.38 -0.46 -0.48 0.00 -0.84 0.00 0.00 61.79 59.62 1je3 h SER 66 Cb 1.22 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1je3 h SER 66 CO 0.64 0.46 0.40 -0.63 -1.14 0.00 0.00 176.83 176.56 1je3 s ILE 67 N -3.68 3.82 0.09 3.27 1.09 -1.26 -5.05 121.20 119.48 1je3 s ILE 67 Ca -0.15 1.56 0.01 0.00 -1.10 0.00 0.00 60.65 60.97 1je3 s ILE 67 Cb 0.01 -3.88 -0.00 0.00 -1.06 0.00 0.00 42.46 37.52 1je3 s ILE 67 CO 0.58 0.16 0.05 -3.20 -0.10 0.00 0.00 174.94 172.43 1je3 n ASN 68 N 0.51 0.55 -0.03 3.58 2.85 -1.26 -5.03 115.26 116.41 1je3 n ASN 68 Ca 0.02 -1.52 -0.14 0.00 -0.11 0.00 0.00 54.58 52.83 1je3 n ASN 68 Cb 0.48 0.31 -0.09 0.00 1.24 0.00 0.00 39.78 41.72 1je3 n ASN 68 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1je3 h ASN 69 N 0.43 0.24 -0.09 1.20 -0.00 -1.92 -2.53 115.58 112.91 1je3 h ASN 69 Ca -0.07 -0.61 0.01 0.00 -0.00 0.00 0.00 56.30 55.63 1je3 h ASN 69 Cb 0.29 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.53 1je3 h ASN 69 CO 0.11 0.81 0.04 0.40 -0.00 0.00 0.00 177.43 178.78 1je3 h ILE 70 N -0.31 0.99 -0.53 2.57 1.08 -1.93 -0.54 117.51 118.84 1je3 h ILE 70 Ca -0.00 -0.03 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 1je3 h ILE 70 Cb 0.78 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1je3 h ILE 70 CO 0.04 0.02 -0.03 1.55 -0.69 0.00 0.00 178.15 179.04 1je3 h PRO 71 N 0.09 0.95 0.00 2.37 0.13 -1.98 -2.72 132.00 130.85 1je3 h PRO 71 Ca 0.04 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1je3 h PRO 71 Cb 0.01 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.06 1je3 h PRO 71 CO -0.03 0.98 -0.06 1.25 -0.23 0.00 0.00 178.00 179.91 1je3 h LEU 72 N 0.83 0.00 0.54 1.56 5.85 -1.34 -2.67 115.31 120.08 1je3 h LEU 72 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1je3 h LEU 72 Cb 0.57 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1je3 h LEU 72 CO 0.03 0.06 -0.26 0.44 -0.34 0.00 0.00 178.44 178.37 1je3 h ASP 73 N 0.00 -0.62 -0.90 1.25 5.19 -0.76 -0.71 116.42 119.87 1je3 h ASP 73 Ca -0.00 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.49 1je3 h ASP 73 Cb 0.49 0.16 -0.06 0.00 0.18 0.00 0.00 39.33 40.09 1je3 h ASP 73 CO 0.01 -0.31 0.57 0.00 -3.12 0.00 0.00 179.24 176.39 1je3 h ALA 74 N -1.41 1.24 0.00 3.45 0.00 -1.56 -0.27 119.26 120.70 1je3 h ALA 74 Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1je3 h ALA 74 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1je3 h ALA 74 CO 0.12 0.34 -0.12 -0.09 0.00 0.00 0.00 179.25 179.51 1je3 h ARG 75 N 1.05 0.00 0.32 0.00 2.43 -1.50 0.33 114.38 117.00 1je3 h ARG 75 Ca 0.39 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 1je3 h ARG 75 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1je3 h ARG 75 CO -0.17 0.12 -0.15 -0.97 -1.51 0.00 0.00 179.97 177.29 1je3 h ASN 76 N 0.00 -0.36 0.79 -3.80 -0.73 0.54 -3.37 115.58 108.66 1je3 h ASN 76 Ca -0.00 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 1je3 h ASN 76 Cb 0.22 0.09 0.01 0.00 0.27 0.00 0.00 38.32 38.91 1je3 h ASN 76 CO 0.02 -0.18 -0.38 0.45 -0.37 0.00 0.00 177.43 176.97 1je3 h HIS 77 N -0.58 -0.98 0.00 0.67 3.86 -1.44 -3.48 115.15 113.19 1je3 h HIS 77 Ca -0.04 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1je3 h HIS 77 Cb 0.32 0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1je3 h HIS 77 CO 0.08 -0.60 0.00 0.41 0.86 0.00 0.00 177.93 178.68 1je3 n GLY 78 N -1.05 1.33 0.65 2.45 0.00 0.11 -5.11 105.19 103.56 1je3 n GLY 78 Ca -0.14 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1je3 n GLY 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1je3 n TYR 79 N 0.00 -3.42 -0.03 1.61 4.11 -0.68 -4.94 117.16 113.81 1je3 n TYR 79 Ca 0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.90 57.55 1je3 n TYR 79 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.34 39.19 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1je3 n THR 80 N -1.74 0.36 -3.66 -3.48 -1.04 -1.26 -5.01 114.28 98.46 1je3 n THR 80 Ca 0.03 -0.09 -0.23 0.00 -2.04 0.00 0.00 64.05 61.71 1je3 n THR 80 Cb 0.10 -1.57 -0.17 0.00 -1.82 0.00 0.00 70.33 66.87 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 -2.12 -0.02 -0.33 12.58 1.01 -0.40 -4.98 120.40 126.14 1je3 s VAL 81 Ca -0.09 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1je3 s VAL 81 Cb 0.03 -0.42 0.10 0.00 0.00 0.00 0.00 36.38 36.09 1je3 s VAL 81 CO 0.12 -0.04 0.06 -0.76 0.00 0.00 0.00 175.10 174.48 1je3 s LEU 82 N 2.12 4.18 0.09 3.92 2.01 -1.26 -1.80 118.68 127.93 1je3 s LEU 82 Ca 0.03 -2.03 0.06 0.00 0.01 0.00 0.00 54.13 52.21 1je3 s LEU 82 Cb -0.14 -1.46 -0.03 0.00 0.01 0.00 0.00 46.19 44.57 1je3 s LEU 82 CO -0.06 -0.38 -0.17 1.51 1.01 0.00 0.00 176.35 178.26 1je3 s ASP 83 N 1.06 2.04 0.33 2.29 1.47 -0.79 -5.05 116.67 118.02 1je3 s ASP 83 Ca 0.10 -0.65 0.04 0.00 1.18 0.00 0.00 52.55 53.22 1je3 s ASP 83 Cb -0.19 -0.09 -0.03 0.00 -0.34 0.00 0.00 42.92 42.27 1je3 s ASP 83 CO -0.12 -0.02 0.17 0.27 0.68 0.00 0.00 175.17 176.15 1je3 s ILE 84 N -1.26 0.35 0.24 2.11 -4.36 -1.26 -1.26 121.20 115.76 1je3 s ILE 84 Ca 0.02 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.35 1je3 s ILE 84 Cb -0.10 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1je3 s ILE 84 CO 0.03 0.00 0.31 -1.58 0.24 0.00 0.00 174.94 173.94 1je3 s GLN 85 N -3.74 1.44 -0.11 0.37 -0.44 -0.55 -4.98 119.66 111.64 1je3 s GLN 85 Ca 0.34 -1.52 0.02 0.00 -2.50 0.00 0.00 55.36 51.71 1je3 s GLN 85 Cb 0.04 0.37 0.01 0.00 -1.64 0.00 0.00 33.01 31.79 1je3 s GLN 85 CO 0.18 -0.54 -0.18 -0.65 0.50 0.00 0.00 175.29 174.60 1je3 s GLN 86 N -3.95 2.47 0.21 1.67 -0.21 -1.26 -3.18 119.66 115.40 1je3 s GLN 86 Ca 0.32 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 55.04 1je3 s GLN 86 Cb 0.03 -2.02 -0.00 0.00 1.00 0.00 0.00 33.01 32.02 1je3 s GLN 86 CO 0.12 -0.01 0.02 -3.47 -2.12 0.00 0.00 175.29 169.84 1je3 n ASP 87 N 4.04 2.17 -3.69 5.90 -0.08 -0.53 -4.99 116.55 119.36 1je3 n ASP 87 Ca -0.20 -1.96 -0.19 0.00 -1.51 0.00 0.00 54.79 50.93 1je3 n ASP 87 Cb 0.52 0.24 -0.18 0.00 2.34 0.00 0.00 41.12 44.04 1je3 n ASP 87 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1je3 s GLY 88 N -2.18 0.19 -0.99 0.27 0.00 -1.26 -3.20 107.32 100.14 1je3 s GLY 88 Ca 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.96 1je3 s GLY 88 CO 0.02 1.26 1.66 -1.55 0.00 0.00 0.00 173.10 174.49 1je3 n PRO 89 N 5.08 5.01 -2.71 2.90 -0.04 -1.26 -5.09 135.00 138.90 1je3 n PRO 89 Ca -0.08 -4.66 -0.07 0.00 -0.04 0.00 0.00 63.50 58.65 1je3 n PRO 89 Cb 0.50 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 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 0.22 0.00 -3.89 0.52 -2.24 -1.19 -4.92 114.28 102.77 1je3 n THR 90 Ca 0.41 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1je3 n THR 90 Cb 0.29 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.61 0.05 0.07 2.28 2.07 -0.86 -1.46 121.20 120.74 1je3 s ILE 91 Ca 0.14 -0.44 0.08 0.00 -1.41 0.00 0.00 60.65 59.01 1je3 s ILE 91 Cb -0.01 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 1je3 s ILE 91 CO 0.10 -0.24 -0.22 0.00 -1.91 0.00 0.00 174.94 172.66 1je3 s ARG 92 N -0.77 1.37 -0.05 3.50 1.70 -1.19 -2.33 118.95 121.18 1je3 s ARG 92 Ca -0.09 -1.05 0.02 0.00 -0.47 0.00 0.00 55.73 54.14 1je3 s ARG 92 Cb -0.05 -1.57 0.02 0.00 -0.57 0.00 0.00 34.95 32.77 1je3 s ARG 92 CO 0.00 0.39 -0.08 0.71 -1.08 0.00 0.00 175.30 175.24 1je3 s TYR 93 N -0.92 1.03 0.01 5.89 1.51 -0.18 -1.49 117.35 123.21 1je3 s TYR 93 Ca 0.08 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1je3 s TYR 93 Cb -0.09 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1je3 s TYR 93 CO 0.03 -0.20 -0.07 -0.48 -1.11 0.00 0.00 175.55 173.72 1je3 s LEU 94 N 0.68 2.10 0.09 -1.29 2.34 -0.39 0.65 118.68 122.85 1je3 s LEU 94 Ca -0.11 -0.28 0.02 0.00 0.06 0.00 0.00 54.13 53.82 1je3 s LEU 94 Cb -0.14 -0.27 -0.04 0.00 -0.56 0.00 0.00 46.19 45.18 1je3 s LEU 94 CO 0.02 -0.02 -0.07 0.27 -1.06 0.00 0.00 176.35 175.48 1je3 s ILE 95 N -0.60 0.70 0.21 1.48 -5.25 -1.19 -1.89 121.20 114.65 1je3 s ILE 95 Ca -0.02 -1.70 -0.16 0.00 -0.99 0.00 0.00 60.65 57.78 1je3 s ILE 95 Cb -0.05 -1.39 0.02 0.00 2.95 0.00 0.00 42.46 43.98 1je3 s ILE 95 CO 0.00 -0.72 0.50 0.00 -1.79 0.00 0.00 174.94 172.94 1je3 s GLN 96 N -3.17 1.42 0.00 0.37 -2.07 -0.75 -0.23 119.66 115.23 1je3 s GLN 96 Ca 0.06 -0.97 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 1je3 s GLN 96 Cb 0.01 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 1je3 s GLN 96 CO -0.03 -0.60 0.41 1.17 -1.32 0.00 0.00 175.29 174.93