#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 3.46 0.25 3.03 0.00 -1.26 -5.08 105.19 105.58 1je3 n GLY 2 Ca 0.00 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.55 1.87 -3.34 1.61 7.64 -1.26 -5.03 113.62 114.57 1je3 n SER 3 Ca 0.00 0.12 -0.21 0.00 1.01 0.00 0.00 58.87 59.79 1je3 n SER 3 Cb 0.00 -0.50 0.15 0.00 -1.01 0.00 0.00 64.21 62.85 1je3 n SER 3 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1je3 n SER 4 N -3.61 -0.07 0.17 6.43 7.64 -1.26 -5.00 113.62 117.93 1je3 n SER 4 Ca -0.39 -1.31 -0.14 0.00 1.01 0.00 0.00 58.87 58.03 1je3 n SER 4 Cb 0.83 -0.72 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 1je3 n SER 4 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1je3 h HIS 5 N -1.61 -0.37 -3.61 1.43 6.17 -2.06 -3.44 115.15 111.66 1je3 h HIS 5 Ca -0.30 -0.01 -0.35 0.00 0.71 0.00 0.00 60.37 60.42 1je3 h HIS 5 Cb 0.84 0.12 -0.32 0.00 2.52 0.00 0.00 27.41 30.57 1je3 h HIS 5 CO 0.00 -0.11 -0.75 -3.38 0.71 0.00 0.00 177.93 174.39 1je3 s HIS 6 N -5.37 0.43 0.69 5.26 0.00 -1.26 -5.03 115.29 110.01 1je3 s HIS 6 Ca -0.15 -0.07 -0.04 0.00 -3.00 0.00 0.00 55.06 51.80 1je3 s HIS 6 Cb 0.03 -0.41 0.14 0.00 -4.00 0.00 0.00 32.58 28.34 1je3 s HIS 6 CO 0.60 -0.10 0.94 -2.39 -1.00 0.00 0.00 174.74 172.79 1je3 n HIS 7 N 3.73 -3.27 -3.24 0.38 -0.00 -1.26 -5.05 115.22 106.51 1je3 n HIS 7 Ca -0.22 -1.38 -0.41 0.00 -0.00 0.00 0.00 57.72 55.70 1je3 n HIS 7 Cb 0.53 -0.70 -0.08 0.00 -0.00 0.00 0.00 29.99 29.75 1je3 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 8 N -2.86 3.19 -1.44 -1.40 4.02 -1.26 -4.92 115.29 110.62 1je3 s HIS 8 Ca 0.59 0.21 0.16 0.00 1.02 0.00 0.00 55.06 57.04 1je3 s HIS 8 Cb -0.03 -2.90 0.59 0.00 -1.02 0.00 0.00 32.58 29.22 1je3 s HIS 8 CO 0.40 -0.52 1.48 -2.39 1.02 0.00 0.00 174.74 174.73 1je3 n HIS 9 N 5.72 1.13 -1.17 1.40 1.44 -1.26 -4.94 115.22 117.54 1je3 n HIS 9 Ca -0.05 -0.47 -0.11 0.00 -2.01 0.00 0.00 57.72 55.08 1je3 n HIS 9 Cb 0.49 -0.15 0.08 0.00 0.12 0.00 0.00 29.99 30.53 1je3 n HIS 9 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1je3 n HIS 10 N 1.03 -3.82 -3.13 -1.40 -0.00 -1.26 -4.97 115.22 101.67 1je3 n HIS 10 Ca 0.21 -0.42 -0.44 0.00 -0.00 0.00 0.00 57.72 57.07 1je3 n HIS 10 Cb 0.70 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1je3 n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1je3 n SER 11 N -3.43 5.61 0.00 0.41 7.64 -1.26 -4.44 113.62 118.15 1je3 n SER 11 Ca 0.06 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1je3 n SER 11 Cb 0.22 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1je3 n SER 11 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1je3 n SER 12 N 3.09 1.08 -4.37 6.43 3.41 -1.26 -4.97 113.62 117.03 1je3 n SER 12 Ca 0.28 -0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.43 1je3 n SER 12 Cb 0.38 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1je3 n SER 12 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1je3 s GLY 13 N -0.44 2.63 0.20 5.00 0.00 -1.26 -4.90 107.32 108.55 1je3 s GLY 13 Ca 0.00 -3.34 0.11 0.00 0.00 0.00 0.00 44.72 41.48 1je3 s GLY 13 CO 0.00 1.50 -0.21 1.08 0.00 0.00 0.00 173.10 175.47 1je3 s LEU 14 N 0.46 2.47 0.05 0.66 1.43 -1.26 -5.15 118.68 117.34 1je3 s LEU 14 Ca 0.26 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 1je3 s LEU 14 Cb -0.08 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1je3 s LEU 14 CO -0.08 0.05 -0.13 0.68 0.23 0.00 0.00 176.35 177.10 1je3 s VAL 15 N -1.99 3.16 0.03 -1.59 -7.23 -1.26 -3.80 120.40 107.72 1je3 s VAL 15 Ca 0.21 -1.12 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 1je3 s VAL 15 Cb -0.06 -2.39 -0.20 0.00 0.56 0.00 0.00 36.38 34.29 1je3 s VAL 15 CO 0.10 0.28 1.18 -0.65 -0.31 0.00 0.00 175.10 175.70 1je3 h PRO 16 N 4.26 0.47 0.00 4.82 0.11 -2.05 -3.49 132.00 136.12 1je3 h PRO 16 Ca -0.48 -0.42 -0.47 0.00 0.11 0.00 0.00 66.00 64.73 1je3 h PRO 16 Cb 1.16 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 1je3 h PRO 16 CO 0.50 1.06 -0.40 0.54 -0.21 0.00 0.00 178.00 179.49 1je3 n ARG 17 N -4.24 0.60 0.00 1.05 3.00 -1.25 -5.17 116.66 110.66 1je3 n ARG 17 Ca -0.09 -2.97 0.00 0.00 -0.01 0.00 0.00 57.85 54.78 1je3 n ARG 17 Cb 0.62 1.69 0.00 0.00 0.00 0.00 0.00 32.46 34.77 1je3 n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1je3 n GLY 18 N -0.40 1.66 1.82 -0.13 0.00 -1.26 -4.78 105.19 102.11 1je3 n GLY 18 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.07 1je3 n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1je3 n SER 19 N 0.00 1.49 -4.77 1.61 2.88 -1.26 -5.10 113.62 108.46 1je3 n SER 19 Ca 0.00 -2.33 -0.36 0.00 -1.33 0.00 0.00 58.87 54.85 1je3 n SER 19 Cb 0.00 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.07 1je3 n SER 19 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1je3 s HIS 20 N -1.69 2.79 -0.01 0.66 -3.43 -1.26 -4.96 115.29 107.40 1je3 s HIS 20 Ca 0.33 1.54 0.01 0.00 -0.80 0.00 0.00 55.06 56.15 1je3 s HIS 20 Cb 0.37 -3.33 0.01 0.00 -1.43 0.00 0.00 32.58 28.20 1je3 s HIS 20 CO -0.11 -1.51 0.84 -1.33 -2.00 0.00 0.00 174.74 170.63 1je3 n MET 21 N -0.85 1.81 -0.03 -0.38 2.81 -1.26 -4.69 117.12 114.53 1je3 n MET 21 Ca 0.09 -1.20 0.04 0.00 -1.81 0.00 0.00 57.70 54.82 1je3 n MET 21 Cb 0.49 -0.84 -0.13 0.00 -0.71 0.00 0.00 33.22 32.04 1je3 n MET 21 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1je3 n LYS 22 N -0.36 0.80 -2.63 0.03 4.76 -1.26 -4.60 118.16 114.90 1je3 n LYS 22 Ca 0.01 -0.11 -0.38 0.00 -2.87 0.00 0.00 58.31 54.96 1je3 n LYS 22 Cb 0.37 -1.39 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 1je3 n LYS 22 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1je3 n ASN 23 N -2.22 6.88 0.00 4.39 5.03 -1.26 -4.34 115.26 123.74 1je3 n ASN 23 Ca -0.10 -3.70 0.00 0.00 0.87 0.00 0.00 54.58 51.65 1je3 n ASN 23 Cb 0.60 -1.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 1je3 n ASN 23 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1je3 n ILE 24 N -0.14 0.00 -4.14 2.41 -5.35 -1.26 -5.08 119.36 105.80 1je3 n ILE 24 Ca 0.45 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.77 1je3 n ILE 24 Cb 0.29 0.23 -0.11 0.00 -1.74 0.00 0.00 39.64 38.30 1je3 n ILE 24 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1je3 s VAL 25 N -0.52 0.86 0.00 7.28 -7.23 -1.26 -4.86 120.40 114.67 1je3 s VAL 25 Ca 0.00 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1je3 s VAL 25 Cb 0.00 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1je3 s VAL 25 CO 0.00 -0.43 0.42 -2.65 -0.31 0.00 0.00 175.10 172.13 1je3 n PRO 26 N 0.98 0.00 -3.81 4.82 -0.02 -1.26 -4.91 135.00 130.80 1je3 n PRO 26 Ca -0.19 0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.08 1je3 n PRO 26 Cb 0.56 -0.92 0.01 0.00 -0.02 0.00 0.00 33.50 33.12 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 -0.49 -4.89 -4.87 2.55 5.75 0.31 -4.91 116.55 109.99 1je3 n ASP 27 Ca 0.00 -0.99 -0.26 0.00 -0.01 0.00 0.00 54.79 53.53 1je3 n ASP 27 Cb 0.00 -1.94 -0.04 0.00 -1.03 0.00 0.00 41.12 38.11 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 -3.12 3.31 -0.18 2.11 2.02 -1.19 -4.91 117.35 115.39 1je3 s TYR 28 Ca 0.12 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 1je3 s TYR 28 Cb -0.06 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1je3 s TYR 28 CO 0.90 0.52 -0.15 -0.98 -1.57 0.00 0.00 175.55 174.27 1je3 s ARG 29 N -3.17 2.50 -0.80 -0.62 1.70 -1.25 -0.02 118.95 117.29 1je3 s ARG 29 Ca 0.33 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.81 1je3 s ARG 29 Cb -0.10 -2.41 0.20 0.00 -0.57 0.00 0.00 34.95 32.06 1je3 s ARG 29 CO 0.26 -0.29 0.64 -1.17 -1.08 0.00 0.00 175.30 173.65 1je3 s LEU 30 N 1.36 5.22 -1.00 -1.89 1.98 -0.25 -4.97 118.68 119.12 1je3 s LEU 30 Ca 0.03 -3.73 -0.02 0.00 -2.89 0.00 0.00 54.13 47.52 1je3 s LEU 30 Cb -0.14 -1.79 0.31 0.00 0.66 0.00 0.00 46.19 45.23 1je3 s LEU 30 CO -0.11 -0.15 1.55 0.47 -1.89 0.00 0.00 176.35 176.22 1je3 n ASP 31 N 2.25 6.54 0.00 3.68 8.00 -1.24 -0.56 116.55 135.22 1je3 n ASP 31 Ca 0.20 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 52.15 1je3 n ASP 31 Cb 0.36 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1je3 n MET 32 N 0.63 0.00 -4.20 -1.24 2.81 -0.57 -4.90 117.12 109.64 1je3 n MET 32 Ca 0.35 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.07 1je3 n MET 32 Cb 0.31 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.69 1je3 n MET 32 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1je3 s VAL 33 N 1.81 0.86 -0.22 2.03 1.01 -1.26 -2.29 120.40 122.35 1je3 s VAL 33 Ca 0.00 -1.01 0.20 0.00 0.00 0.00 0.00 61.98 61.17 1je3 s VAL 33 Cb 0.00 -0.83 0.20 0.00 0.00 0.00 0.00 36.38 35.75 1je3 s VAL 33 CO 0.00 -0.15 1.60 0.61 0.00 0.00 0.00 175.10 177.16 1je3 n GLY 34 N 1.73 -0.83 3.65 4.51 0.00 -1.23 -4.64 105.19 108.38 1je3 n GLY 34 Ca -0.20 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1je3 n GLY 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1je3 s GLU 35 N -3.51 0.71 -1.00 1.61 -1.05 -1.26 -4.76 118.70 109.44 1je3 s GLU 35 Ca -0.02 1.49 -0.24 0.00 -0.15 0.00 0.00 54.97 56.05 1je3 s GLU 35 Cb 0.06 -1.70 -0.14 0.00 -0.44 0.00 0.00 34.13 31.91 1je3 s GLU 35 CO 0.18 -2.82 1.93 -0.35 0.95 0.00 0.00 175.26 175.15 1je3 n PRO 36 N -4.36 1.30 -0.99 -4.83 -0.04 -1.26 -4.94 135.00 119.89 1je3 n PRO 36 Ca 0.11 -2.14 -0.29 0.00 -0.04 0.00 0.00 63.50 61.14 1je3 n PRO 36 Cb 0.52 -3.49 0.19 0.00 -0.04 0.00 0.00 33.50 30.69 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 -2.07 0.57 -2.30 0.00 0.11 -2.00 -3.28 132.00 123.03 1je3 h PRO 38 Ca -0.56 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 64.93 1je3 h PRO 38 Cb 1.32 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 1je3 h PRO 38 CO 0.55 0.38 -0.91 0.66 -0.21 0.00 0.00 178.00 178.46 1je3 n TYR 39 N -4.90 0.56 0.00 0.65 4.01 -1.26 -5.04 117.16 111.18 1je3 n TYR 39 Ca 0.16 -3.67 0.00 0.00 -0.16 0.00 0.00 57.90 54.23 1je3 n TYR 39 Cb 0.43 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.88 2.04 0.00 -0.72 -0.04 -1.24 -4.83 135.00 132.09 1je3 n PRO 40 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1je3 n PRO 40 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.85 -0.31 0.55 0.00 -1.26 -2.43 120.51 114.91 1je3 n ALA 41 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1je3 n ALA 41 Cb 0.00 -0.74 0.67 0.00 0.00 0.00 0.00 19.45 19.39 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 0.45 -0.20 0.00 2.07 -1.96 0.75 116.25 117.36 1je3 h VAL 42 Ca 0.00 -0.04 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 1je3 h VAL 42 Cb 0.18 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1je3 h VAL 42 CO 0.00 0.02 -0.68 0.00 0.02 0.00 0.00 177.57 176.93 1je3 h ALA 43 N 1.49 0.39 -0.23 1.67 0.00 -1.83 -2.83 119.26 117.93 1je3 h ALA 43 Ca 0.56 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1je3 h ALA 43 Cb 1.98 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1je3 h ALA 43 CO -0.10 0.69 0.13 1.15 0.00 0.00 0.00 179.25 181.11 1je3 h THR 44 N 0.58 1.11 -0.00 0.00 2.02 0.21 0.19 112.91 117.01 1je3 h THR 44 Ca -0.02 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1je3 h THR 44 Cb 1.30 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1je3 h THR 44 CO 0.14 0.11 -0.08 -0.07 0.37 0.00 0.00 175.52 176.00 1je3 h LEU 45 N 0.26 -0.22 -0.40 2.58 3.38 -1.13 -1.03 115.31 118.75 1je3 h LEU 45 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1je3 h LEU 45 Cb 0.06 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1je3 h LEU 45 CO -0.01 -0.11 0.00 -1.84 0.09 0.00 0.00 178.44 176.57 1je3 n GLU 46 N -5.20 0.14 0.16 1.13 0.28 -1.07 -2.42 120.64 113.67 1je3 n GLU 46 Ca -0.06 0.33 0.03 0.00 -0.16 0.00 0.00 57.16 57.30 1je3 n GLU 46 Cb 0.12 -1.75 0.25 0.00 1.43 0.00 0.00 31.44 31.49 1je3 n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1je3 h ALA 47 N 2.40 0.95 -0.39 -1.84 0.00 0.74 -3.16 119.26 117.94 1je3 h ALA 47 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.55 1je3 h ALA 47 Cb 0.39 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1je3 h ALA 47 CO 0.00 0.60 -0.38 0.52 0.00 0.00 0.00 179.25 179.99 1je3 h MET 48 N 0.00 -0.29 -0.10 0.00 2.86 -1.25 0.63 114.93 116.79 1je3 h MET 48 Ca -0.00 0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 1je3 h MET 48 Cb 1.02 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1je3 h MET 48 CO 0.06 -0.19 -0.78 -1.00 1.06 0.00 0.00 176.91 176.06 1je3 h PRO 49 N -0.30 0.57 0.00 -0.22 0.13 -1.79 -2.96 132.00 127.44 1je3 h PRO 49 Ca 0.15 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1je3 h PRO 49 Cb 0.57 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1je3 h PRO 49 CO -0.55 1.11 0.00 0.94 -0.23 0.00 0.00 178.00 179.27 1je3 n GLN 50 N -3.87 0.63 -1.26 0.86 7.27 -0.74 -4.88 117.38 115.40 1je3 n GLN 50 Ca -0.06 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.64 1je3 n GLN 50 Cb 0.74 -1.38 0.05 0.00 2.41 0.00 0.00 30.24 32.06 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1je3 n LEU 51 N -0.88 -0.87 0.00 1.69 -0.00 0.21 -4.93 117.00 112.22 1je3 n LEU 51 Ca 0.12 0.59 0.00 0.00 -0.00 0.00 0.00 56.01 56.71 1je3 n LEU 51 Cb 0.05 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 1je3 n LEU 51 CO 0.09 -3.77 0.00 0.29 -0.00 0.00 0.00 177.39 173.99 1je3 n LYS 52 N 0.20 0.53 -0.93 1.47 4.76 -1.26 -5.03 118.16 117.90 1je3 n LYS 52 Ca 0.09 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 1je3 n LYS 52 Cb 0.49 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 1.76 0.00 1.97 5.02 -1.26 -4.15 118.16 121.50 1je3 n LYS 53 Ca 0.00 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 1je3 n LYS 53 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 0.85 -0.91 3.79 0.72 0.00 -1.26 -5.08 105.19 103.30 1je3 n GLY 54 Ca 0.28 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 1je3 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1je3 s GLU 55 N 0.00 3.07 0.01 1.61 -1.05 -1.26 -4.70 118.70 116.38 1je3 s GLU 55 Ca 0.00 1.28 -0.26 0.00 -0.15 0.00 0.00 54.97 55.84 1je3 s GLU 55 Cb 0.00 -1.99 0.06 0.00 -0.44 0.00 0.00 34.13 31.76 1je3 s GLU 55 CO 0.00 -1.02 0.59 0.42 0.95 0.00 0.00 175.26 176.20 1je3 s ILE 56 N -2.42 0.01 0.05 1.83 1.01 -1.26 -0.00 121.20 120.42 1je3 s ILE 56 Ca 0.65 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 1je3 s ILE 56 Cb -0.18 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1je3 s ILE 56 CO 0.40 -0.06 0.10 -0.22 0.00 0.00 0.00 174.94 175.15 1je3 s LEU 57 N -1.63 1.82 -0.22 2.97 2.96 0.26 0.11 118.68 124.95 1je3 s LEU 57 Ca -0.08 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 1je3 s LEU 57 Cb -0.01 0.64 0.11 0.00 0.50 0.00 0.00 46.19 47.43 1je3 s LEU 57 CO 0.03 -0.57 0.26 -1.61 -1.32 0.00 0.00 176.35 173.14 1je3 s GLU 58 N -3.05 0.24 -0.11 1.98 2.02 0.97 -3.15 118.70 117.59 1je3 s GLU 58 Ca -0.01 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.24 1je3 s GLU 58 Cb 0.01 -1.01 0.01 0.00 0.10 0.00 0.00 34.13 33.24 1je3 s GLU 58 CO -0.07 -0.69 -0.20 0.08 0.02 0.00 0.00 175.26 174.40 1je3 s VAL 59 N 2.37 1.85 -0.31 2.63 1.01 -0.05 -1.09 120.40 126.82 1je3 s VAL 59 Ca 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1je3 s VAL 59 Cb -0.16 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.69 1je3 s VAL 59 CO -0.15 0.51 0.08 -0.69 0.00 0.00 0.00 175.10 174.85 1je3 s VAL 60 N 0.65 1.21 0.12 2.92 1.01 0.28 -0.86 120.40 125.73 1je3 s VAL 60 Ca -0.12 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1je3 s VAL 60 Cb -0.16 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1je3 s VAL 60 CO 0.03 -0.61 0.02 -1.54 0.00 0.00 0.00 175.10 173.00 1je3 n SER 61 N 4.71 1.63 -4.11 3.32 3.41 -1.06 -1.52 113.62 119.99 1je3 n SER 61 Ca -0.02 -1.60 -0.33 0.00 -0.26 0.00 0.00 58.87 56.66 1je3 n SER 61 Cb 0.42 0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 1je3 n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1je3 s ASP 62 N -1.72 4.67 -0.48 4.04 -1.08 -0.97 -2.39 116.67 118.74 1je3 s ASP 62 Ca 0.03 -1.38 0.06 0.00 -0.52 0.00 0.00 52.55 50.75 1je3 s ASP 62 Cb 0.00 -1.63 0.27 0.00 -1.46 0.00 0.00 42.92 40.11 1je3 s ASP 62 CO 0.02 -0.23 0.98 0.00 0.52 0.00 0.00 175.17 176.46 1je3 n PRO 64 N 1.12 0.00 -0.65 0.00 -0.04 -1.26 -2.26 135.00 131.90 1je3 n PRO 64 Ca 0.08 0.55 -0.02 0.00 -0.04 0.00 0.00 63.50 64.07 1je3 n PRO 64 Cb 0.66 -1.22 0.22 0.00 -0.04 0.00 0.00 33.50 33.12 1je3 n PRO 64 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1je3 n GLN 65 N -1.63 2.99 -5.14 0.54 6.02 -1.26 -4.88 117.38 114.02 1je3 n GLN 65 Ca 0.00 -2.01 -0.31 0.00 -0.01 0.00 0.00 57.00 54.67 1je3 n GLN 65 Cb 0.00 -1.92 -0.15 0.00 1.02 0.00 0.00 30.24 29.18 1je3 n GLN 65 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1je3 s SER 66 N -0.50 3.18 -0.80 1.08 0.01 -0.96 -5.06 113.70 110.65 1je3 s SER 66 Ca 0.36 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1je3 s SER 66 Cb 0.28 -0.37 0.29 0.00 0.21 0.00 0.00 66.02 66.44 1je3 s SER 66 CO 0.09 0.30 1.15 -0.38 0.41 0.00 0.00 173.24 174.81 1je3 n ILE 67 N 2.20 3.87 -2.00 1.44 5.41 -1.26 -4.70 119.36 124.32 1je3 n ILE 67 Ca -0.16 -5.61 -0.40 0.00 1.00 0.00 0.00 62.75 57.58 1je3 n ILE 67 Cb 0.51 -1.87 0.04 0.00 -0.71 0.00 0.00 39.64 37.61 1je3 n ILE 67 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1je3 n ASN 68 N 0.62 7.50 -4.65 4.38 3.02 -1.26 -5.00 115.26 119.86 1je3 n ASN 68 Ca 0.32 -3.81 -0.42 0.00 -0.03 0.00 0.00 54.58 50.63 1je3 n ASN 68 Cb 0.36 -1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 1je3 n ASN 68 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1je3 s ASN 69 N -1.08 6.52 0.21 6.41 0.02 -1.26 -4.55 114.94 121.22 1je3 s ASN 69 Ca 0.51 2.08 -0.11 0.00 -1.02 0.00 0.00 52.86 54.32 1je3 s ASN 69 Cb 0.41 -2.53 0.28 0.00 0.02 0.00 0.00 41.25 39.43 1je3 s ASN 69 CO -0.38 -1.07 1.69 0.40 0.02 0.00 0.00 177.10 177.76 1je3 h ILE 70 N 5.80 0.60 0.00 0.60 1.08 -1.94 0.19 117.51 123.84 1je3 h ILE 70 Ca -0.38 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1je3 h ILE 70 Cb 1.18 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1je3 h ILE 70 CO 0.97 0.04 -0.04 1.55 -0.69 0.00 0.00 178.15 179.97 1je3 h PRO 71 N 0.20 0.00 -0.93 2.37 0.13 -1.92 -1.63 132.00 130.22 1je3 h PRO 71 Ca 0.31 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.55 1je3 h PRO 71 Cb 0.47 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.53 1je3 h PRO 71 CO -0.43 0.04 0.59 1.25 -0.23 0.00 0.00 178.00 179.22 1je3 h LEU 72 N 0.00 0.81 -0.43 1.56 5.85 -1.00 0.77 115.31 122.87 1je3 h LEU 72 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1je3 h LEU 72 Cb 0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1je3 h LEU 72 CO 0.00 0.45 0.22 0.44 -0.34 0.00 0.00 178.44 179.22 1je3 h ASP 73 N 0.88 0.55 0.63 1.25 5.19 -1.20 0.03 116.42 123.75 1je3 h ASP 73 Ca 0.45 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.71 1je3 h ASP 73 Cb 0.50 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1je3 h ASP 73 CO -0.21 0.51 -0.18 0.00 -3.12 0.00 0.00 179.24 176.24 1je3 h ALA 74 N 1.07 1.15 -0.15 3.45 0.00 -0.91 -2.42 119.26 121.45 1je3 h ALA 74 Ca 0.15 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1je3 h ALA 74 Cb 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1je3 h ALA 74 CO -0.02 0.22 -0.64 -0.09 0.00 0.00 0.00 179.25 178.72 1je3 h ARG 75 N 0.00 0.56 0.44 0.00 2.43 0.17 0.41 114.38 118.39 1je3 h ARG 75 Ca -0.00 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1je3 h ARG 75 Cb 0.54 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1je3 h ARG 75 CO 0.02 1.02 -0.21 -0.97 -1.51 0.00 0.00 179.97 178.32 1je3 h ASN 76 N 0.41 -0.51 0.40 -3.80 -0.00 -0.54 -2.79 115.58 108.74 1je3 h ASN 76 Ca -0.01 -0.07 -0.06 0.00 -0.00 0.00 0.00 56.30 56.15 1je3 h ASN 76 Cb 1.21 0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 39.65 1je3 h ASN 76 CO 0.12 -0.22 -0.29 0.45 -0.00 0.00 0.00 177.43 177.49 1je3 h HIS 77 N -0.79 0.00 -1.34 0.67 3.86 -1.56 -3.48 115.15 112.51 1je3 h HIS 77 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1je3 h HIS 77 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1je3 h HIS 77 CO -0.00 0.29 0.00 0.41 0.86 0.00 0.00 177.93 179.49 1je3 n GLY 78 N -0.51 -1.17 0.00 2.45 0.00 0.11 -5.10 105.19 100.96 1je3 n GLY 78 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.03 0.00 0.00 1.61 4.19 0.53 -4.97 117.16 118.49 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 -4.55 2.97 -1.04 -1.26 -4.93 114.28 105.47 1je3 n THR 80 Ca 0.00 0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.69 1je3 n THR 80 Cb 0.00 -0.03 -0.14 0.00 -1.82 0.00 0.00 70.33 68.34 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 -0.00 3.20 -0.27 12.58 1.01 -0.48 -5.03 120.40 131.41 1je3 s VAL 81 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1je3 s VAL 81 Cb 0.00 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 34.08 1je3 s VAL 81 CO 0.00 0.50 -0.04 -0.76 0.00 0.00 0.00 175.10 174.80 1je3 s LEU 82 N 0.58 3.19 0.23 3.92 2.01 -1.26 -2.16 118.68 125.19 1je3 s LEU 82 Ca -0.07 -1.46 0.10 0.00 0.01 0.00 0.00 54.13 52.72 1je3 s LEU 82 Cb -0.15 -1.34 -0.05 0.00 0.01 0.00 0.00 46.19 44.66 1je3 s LEU 82 CO 0.03 -0.26 -0.17 -0.62 1.01 0.00 0.00 176.35 176.33 1je3 s ASP 83 N 1.24 3.02 0.24 2.29 2.15 -0.48 -5.04 116.67 120.10 1je3 s ASP 83 Ca -0.02 -1.00 -0.02 0.00 0.43 0.00 0.00 52.55 51.93 1je3 s ASP 83 Cb -0.19 -0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 42.19 1je3 s ASP 83 CO -0.08 -0.06 0.25 0.27 -0.17 0.00 0.00 175.17 175.38 1je3 s ILE 84 N -2.65 0.00 0.30 4.11 -4.36 -1.26 -1.12 121.20 116.22 1je3 s ILE 84 Ca 0.25 -1.86 -0.12 0.00 -0.26 0.00 0.00 60.65 58.66 1je3 s ILE 84 Cb -0.03 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 41.23 1je3 s ILE 84 CO 0.10 0.00 0.57 -1.58 0.24 0.00 0.00 174.94 174.28 1je3 s GLN 85 N -3.92 1.81 -0.00 0.37 2.00 0.73 -4.93 119.66 115.72 1je3 s GLN 85 Ca 0.36 -1.37 0.01 0.00 -2.00 0.00 0.00 55.36 52.35 1je3 s GLN 85 Cb 0.04 0.52 -0.00 0.00 0.80 0.00 0.00 33.01 34.37 1je3 s GLN 85 CO 0.15 -0.79 -0.03 -1.14 -0.50 0.00 0.00 175.29 172.98 1je3 s GLN 86 N -3.42 0.27 0.00 1.67 0.74 -1.26 -2.72 119.66 114.93 1je3 s GLN 86 Ca 0.21 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1je3 s GLN 86 Cb -0.02 -0.26 0.00 0.00 1.10 0.00 0.00 33.01 33.83 1je3 s GLN 86 CO 0.12 0.06 0.00 -0.25 -0.55 0.00 0.00 175.29 174.67 1je3 n ASP 87 N 3.03 0.00 0.00 6.67 8.00 -1.10 -4.96 116.55 128.19 1je3 n ASP 87 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1je3 n ASP 87 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1je3 n GLY 88 N 5.00 0.59 1.03 0.44 0.00 -1.26 -4.62 105.19 106.37 1je3 n GLY 88 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 2.47 -4.27 1.61 -0.04 -1.26 -4.88 135.00 128.64 1je3 n PRO 89 Ca 0.00 -1.19 -0.16 0.00 -0.04 0.00 0.00 63.50 62.11 1je3 n PRO 89 Cb 0.00 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 31.58 1je3 n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1je3 s THR 90 N -1.66 0.12 -0.03 0.52 -4.23 -1.26 -4.28 115.64 104.81 1je3 s THR 90 Ca 0.21 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1je3 s THR 90 Cb 0.16 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1je3 s THR 90 CO 0.06 0.00 -0.01 -0.51 -0.54 0.00 0.00 174.62 173.61 1je3 s ILE 91 N -3.79 0.29 -0.04 2.99 2.07 -1.01 -2.72 121.20 118.98 1je3 s ILE 91 Ca 0.38 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.69 1je3 s ILE 91 Cb 0.05 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 1je3 s ILE 91 CO 0.18 0.17 -0.21 -0.60 -1.91 0.00 0.00 174.94 172.56 1je3 s ARG 92 N 0.94 2.05 0.25 3.50 3.52 -1.10 -2.57 118.95 125.55 1je3 s ARG 92 Ca -0.10 -0.76 0.05 0.00 -0.13 0.00 0.00 55.73 54.79 1je3 s ARG 92 Cb -0.14 -1.81 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1je3 s ARG 92 CO -0.01 0.35 -0.04 1.52 -0.81 0.00 0.00 175.30 176.31 1je3 s TYR 93 N -0.17 1.77 0.02 5.12 -0.85 -0.04 -0.19 117.35 123.02 1je3 s TYR 93 Ca -0.01 -0.79 -0.20 0.00 -0.52 0.00 0.00 57.07 55.55 1je3 s TYR 93 Cb -0.12 -1.01 0.04 0.00 0.38 0.00 0.00 41.96 41.26 1je3 s TYR 93 CO 0.02 0.15 0.46 -0.48 -1.52 0.00 0.00 175.55 174.18 1je3 s LEU 94 N -3.38 0.20 0.06 -3.49 2.34 -0.27 -0.87 118.68 113.28 1je3 s LEU 94 Ca 0.28 0.15 0.02 0.00 0.06 0.00 0.00 54.13 54.64 1je3 s LEU 94 Cb 0.04 1.88 -0.03 0.00 -0.56 0.00 0.00 46.19 47.52 1je3 s LEU 94 CO 0.10 -0.64 -0.06 0.27 -1.06 0.00 0.00 176.35 174.96 1je3 s ILE 95 N -2.12 0.54 0.27 1.48 -5.25 -1.19 -1.38 121.20 113.55 1je3 s ILE 95 Ca -0.07 -1.50 -0.16 0.00 -0.99 0.00 0.00 60.65 57.93 1je3 s ILE 95 Cb -0.01 -1.13 0.01 0.00 2.95 0.00 0.00 42.46 44.28 1je3 s ILE 95 CO 0.00 -0.66 0.58 0.00 -1.79 0.00 0.00 174.94 173.08 1je3 s GLN 96 N -2.76 1.68 0.00 0.37 -2.07 -0.92 0.91 119.66 116.87 1je3 s GLN 96 Ca 0.00 -1.17 0.00 0.00 -1.82 0.00 0.00 55.36 52.37 1je3 s GLN 96 Cb -0.02 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 1je3 s GLN 96 CO -0.03 -0.73 0.43 1.17 -1.32 0.00 0.00 175.29 174.81