#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 -0.39 0.15 3.17 0.00 -1.26 -4.76 105.19 102.10 1je3 n GLY 2 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1je3 n GLY 2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1je3 h SER 3 N 0.00 -0.29 -4.20 1.61 0.02 -2.11 -3.46 113.55 105.12 1je3 h SER 3 Ca -0.11 0.01 -0.42 0.00 -0.84 0.00 0.00 61.79 60.43 1je3 h SER 3 Cb 0.95 0.07 -0.27 0.00 0.14 0.00 0.00 62.40 63.29 1je3 h SER 3 CO 0.01 -0.07 -0.79 -0.94 -1.14 0.00 0.00 176.83 173.90 1je3 s SER 4 N -3.70 1.34 0.00 3.07 1.04 -1.26 -5.11 113.70 109.08 1je3 s SER 4 Ca -0.05 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1je3 s SER 4 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1je3 s SER 4 CO 0.15 0.08 0.00 1.41 0.98 0.00 0.00 173.24 175.86 1je3 n HIS 5 N 2.46 0.00 0.00 5.02 -0.00 -1.26 -4.69 115.22 116.75 1je3 n HIS 5 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1je3 n HIS 5 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1je3 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1je3 n HIS 6 N 0.00 0.00 -3.34 4.41 -0.00 -1.26 -5.10 115.22 109.93 1je3 n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1je3 n HIS 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1je3 n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1je3 n HIS 7 N -0.36 -0.00 -0.70 4.41 -0.00 -1.26 -5.17 115.22 112.13 1je3 n HIS 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1je3 n HIS 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1je3 n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1je3 n HIS 8 N 0.00 -3.37 -1.44 4.41 -0.00 -1.26 -5.02 115.22 108.54 1je3 n HIS 8 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1je3 n HIS 8 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 1je3 n HIS 8 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1je3 n HIS 9 N -2.23 0.00 -2.26 4.41 -0.00 -1.26 -5.06 115.22 108.82 1je3 n HIS 9 Ca 0.00 -0.29 -0.43 0.00 -0.00 0.00 0.00 57.72 57.01 1je3 n HIS 9 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.99 29.90 1je3 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 10 N -0.79 2.47 0.44 -1.40 0.09 -1.26 -5.00 115.29 109.83 1je3 s HIS 10 Ca 0.08 0.70 0.01 0.00 -0.00 0.00 0.00 55.06 55.86 1je3 s HIS 10 Cb 0.07 -3.77 -0.00 0.00 -0.00 0.00 0.00 32.58 28.87 1je3 s HIS 10 CO 0.01 -2.44 0.05 0.45 -0.00 0.00 0.00 174.74 172.80 1je3 n SER 11 N 7.31 2.57 -4.82 1.40 2.88 -1.26 -5.14 113.62 116.56 1je3 n SER 11 Ca 0.16 -3.03 -0.33 0.00 -1.33 0.00 0.00 58.87 54.34 1je3 n SER 11 Cb 0.45 0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 64.42 1je3 n SER 11 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1je3 s SER 12 N -3.48 6.46 0.30 -3.46 0.15 -1.26 -5.02 113.70 107.40 1je3 s SER 12 Ca 0.07 1.68 -0.29 0.00 0.70 0.00 0.00 55.95 58.11 1je3 s SER 12 Cb 0.00 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1je3 s SER 12 CO 0.05 -0.70 1.13 -0.83 1.20 0.00 0.00 173.24 174.08 1je3 s GLY 13 N -2.74 3.02 0.64 9.45 0.00 -1.26 -5.03 107.32 111.39 1je3 s GLY 13 Ca 0.61 0.93 -0.10 0.00 0.00 0.00 0.00 44.72 46.17 1je3 s GLY 13 CO 0.28 1.52 1.01 1.08 0.00 0.00 0.00 173.10 176.99 1je3 s LEU 14 N -1.65 3.12 -0.00 0.66 1.43 -1.26 -5.04 118.68 115.94 1je3 s LEU 14 Ca 0.47 1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 54.40 1je3 s LEU 14 Cb -0.32 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1je3 s LEU 14 CO 0.41 -1.09 0.81 0.54 0.23 0.00 0.00 176.35 177.25 1je3 s VAL 15 N -3.18 4.86 -0.56 -1.59 0.11 -1.26 -4.96 120.40 113.83 1je3 s VAL 15 Ca 0.55 1.69 -0.28 0.00 -2.93 0.00 0.00 61.98 61.02 1je3 s VAL 15 Cb -0.11 -4.15 -0.10 0.00 -1.53 0.00 0.00 36.38 30.49 1je3 s VAL 15 CO 0.50 0.27 2.44 -2.65 -3.33 0.00 0.00 175.10 172.34 1je3 n PRO 16 N 3.41 0.91 0.00 1.54 -0.02 -1.26 -4.66 135.00 134.92 1je3 n PRO 16 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1je3 n PRO 16 Cb 0.51 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1je3 n PRO 16 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1je3 n ARG 17 N 8.83 0.00 -0.41 -0.52 0.63 -1.26 -4.90 116.66 119.03 1je3 n ARG 17 Ca 0.43 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1je3 n ARG 17 Cb 0.41 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1je3 n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1je3 n GLY 18 N 2.97 0.07 2.38 5.14 0.00 -1.26 -4.92 105.19 109.56 1je3 n GLY 18 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1je3 n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1je3 n SER 19 N -0.04 7.47 -0.16 1.61 7.64 -1.26 -4.54 113.62 124.34 1je3 n SER 19 Ca 0.00 -2.94 0.08 0.00 1.01 0.00 0.00 58.87 57.02 1je3 n SER 19 Cb 0.67 -1.38 0.41 0.00 -1.01 0.00 0.00 64.21 62.90 1je3 n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1je3 n HIS 20 N 2.04 0.07 -1.66 1.43 8.25 -1.26 -4.82 115.22 119.27 1je3 n HIS 20 Ca 0.60 -0.04 -0.39 0.00 -0.26 0.00 0.00 57.72 57.64 1je3 n HIS 20 Cb 0.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1je3 s MET 21 N -1.93 2.54 0.00 -0.41 -1.94 -1.26 -4.87 119.30 111.43 1je3 s MET 21 Ca 0.25 1.51 0.00 0.00 -1.71 0.00 0.00 55.69 55.74 1je3 s MET 21 Cb 0.12 -4.47 0.00 0.00 2.01 0.00 0.00 34.83 32.49 1je3 s MET 21 CO 0.19 -2.78 0.02 1.17 -0.01 0.00 0.00 175.02 173.62 1je3 n LYS 22 N 8.92 0.00 0.00 2.03 3.00 -1.26 -5.03 118.16 125.82 1je3 n LYS 22 Ca 0.32 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1je3 n LYS 22 Cb 0.51 -0.66 0.00 0.00 0.00 0.00 0.00 35.03 34.88 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 -0.91 0.00 -0.06 3.14 5.03 -1.26 -5.02 115.26 116.17 1je3 n ASN 23 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1je3 n ASN 23 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 1je3 n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1je3 n ILE 24 N -1.96 0.68 -1.66 2.41 3.06 -1.26 -5.01 119.36 115.62 1je3 n ILE 24 Ca 0.00 -0.23 -0.46 0.00 -2.50 0.00 0.00 62.75 59.56 1je3 n ILE 24 Cb 0.00 -1.15 -0.03 0.00 0.54 0.00 0.00 39.64 39.00 1je3 n ILE 24 CO 0.00 0.00 0.00 0.55 -2.50 0.00 0.00 176.55 174.60 1je3 n VAL 25 N -3.07 0.81 -2.37 9.51 3.14 -1.26 -3.95 118.33 121.14 1je3 n VAL 25 Ca -0.22 -0.20 -0.37 0.00 -2.96 0.00 0.00 64.34 60.59 1je3 n VAL 25 Cb 0.71 -1.39 -0.02 0.00 -1.06 0.00 0.00 33.84 32.08 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1je3 s PRO 26 N -0.23 3.93 0.00 1.45 0.02 -1.26 -4.33 135.00 134.57 1je3 s PRO 26 Ca 0.70 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1je3 s PRO 26 Cb -0.69 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1je3 s PRO 26 CO 0.49 -0.38 0.88 -3.47 -0.33 0.00 0.00 177.00 174.18 1je3 n ASP 27 N -0.31 0.00 -4.21 2.53 -0.08 0.22 -4.91 116.55 109.79 1je3 n ASP 27 Ca 0.06 0.88 -0.12 0.00 -1.51 0.00 0.00 54.79 54.10 1je3 n ASP 27 Cb 0.49 -0.38 -0.10 0.00 2.34 0.00 0.00 41.12 43.46 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1je3 s TYR 28 N -2.53 1.08 0.02 -0.67 2.02 -1.17 -5.03 117.35 111.07 1je3 s TYR 28 Ca 0.00 -0.88 0.02 0.00 -0.37 0.00 0.00 57.07 55.84 1je3 s TYR 28 Cb 0.00 -0.59 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 1je3 s TYR 28 CO 0.00 -0.08 -0.07 -0.98 -1.57 0.00 0.00 175.55 172.85 1je3 s ARG 29 N -3.82 0.53 -0.48 -0.62 3.03 -1.26 -1.83 118.95 114.50 1je3 s ARG 29 Ca 0.16 -0.48 0.04 0.00 2.03 0.00 0.00 55.73 57.47 1je3 s ARG 29 Cb 0.05 -0.42 0.17 0.00 -1.03 0.00 0.00 34.95 33.71 1je3 s ARG 29 CO -0.01 0.10 0.36 -1.17 -1.13 0.00 0.00 175.30 173.45 1je3 s LEU 30 N -0.83 2.31 -0.99 -1.89 1.98 0.54 -4.96 118.68 114.84 1je3 s LEU 30 Ca -0.03 -3.18 -0.01 0.00 -2.89 0.00 0.00 54.13 48.02 1je3 s LEU 30 Cb -0.06 -0.77 0.31 0.00 0.66 0.00 0.00 46.19 46.33 1je3 s LEU 30 CO 0.00 -0.16 1.51 -0.90 -1.89 0.00 0.00 176.35 174.90 1je3 n ASP 31 N 2.75 6.40 0.00 3.68 5.75 -1.25 -0.58 116.55 133.29 1je3 n ASP 31 Ca 0.25 -3.54 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 1je3 n ASP 31 Cb 0.43 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1je3 n MET 32 N 0.67 0.00 -4.15 0.11 2.81 0.27 -4.83 117.12 112.00 1je3 n MET 32 Ca 0.34 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.11 1je3 n MET 32 Cb 0.32 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.72 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 1.58 0.75 -1.04 2.03 1.01 -1.26 -2.84 120.40 120.62 1je3 s VAL 33 Ca 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1je3 s VAL 33 Cb 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1je3 s VAL 33 CO 0.00 -0.69 1.01 0.61 0.00 0.00 0.00 175.10 176.03 1je3 n GLY 34 N 0.41 -0.51 3.56 4.51 0.00 -1.21 -4.68 105.19 107.27 1je3 n GLY 34 Ca -0.15 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.96 -0.14 0.00 1.61 -1.05 -1.26 -4.16 118.70 110.74 1je3 s GLU 35 Ca 0.00 1.19 0.03 0.00 -0.15 0.00 0.00 54.97 56.04 1je3 s GLU 35 Cb 0.01 -1.62 0.18 0.00 -0.44 0.00 0.00 34.13 32.25 1je3 s GLU 35 CO 0.01 -3.31 0.53 -0.35 0.95 0.00 0.00 175.26 173.10 1je3 n PRO 36 N -4.66 0.15 -4.17 -4.83 -0.04 -1.26 -4.64 135.00 115.54 1je3 n PRO 36 Ca 0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.26 1je3 n PRO 36 Cb 0.53 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 2.81 -0.26 0.48 0.00 0.13 -1.87 -3.39 132.00 129.90 1je3 h PRO 38 Ca -0.47 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1je3 h PRO 38 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1je3 h PRO 38 CO 0.59 -0.18 -0.23 1.88 -0.23 0.00 0.00 178.00 179.84 1je3 h TYR 39 N -0.79 -0.60 0.00 1.56 0.05 -1.95 -3.50 116.97 111.75 1je3 h TYR 39 Ca -0.03 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1je3 h TYR 39 Cb 0.21 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1je3 h TYR 39 CO 0.02 -0.34 0.00 -0.35 -1.05 0.00 0.00 178.16 176.44 1je3 n PRO 40 N -5.21 0.00 0.00 4.88 -0.04 -1.08 -4.68 135.00 128.87 1je3 n PRO 40 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1je3 n PRO 40 Cb 0.27 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.80 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 -1.55 1.75 0.03 0.55 0.00 -1.26 -3.36 120.51 116.68 1je3 n ALA 41 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 53.44 53.64 1je3 n ALA 41 Cb 0.00 -1.04 0.73 0.00 0.00 0.00 0.00 19.45 19.14 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 0.50 -0.11 0.00 3.04 -1.97 0.38 116.25 118.08 1je3 h VAL 42 Ca 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.49 1je3 h VAL 42 Cb 0.00 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1je3 h VAL 42 CO 0.00 0.00 -0.75 0.00 -1.01 0.00 0.00 177.57 175.81 1je3 h ALA 43 N 1.58 0.47 0.27 3.17 0.00 -1.96 -3.02 119.26 119.77 1je3 h ALA 43 Ca 0.24 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1je3 h ALA 43 Cb 1.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1je3 h ALA 43 CO -0.00 0.73 -0.33 1.15 0.00 0.00 0.00 179.25 180.80 1je3 h THR 44 N 0.40 0.00 -0.89 0.00 2.02 -0.51 0.11 112.91 114.03 1je3 h THR 44 Ca -0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1je3 h THR 44 Cb 1.35 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 1je3 h THR 44 CO 0.14 0.00 0.58 -0.07 0.37 0.00 0.00 175.52 176.54 1je3 h LEU 45 N -0.61 0.83 -1.64 2.58 3.38 -1.65 0.20 115.31 118.39 1je3 h LEU 45 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1je3 h LEU 45 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1je3 h LEU 45 CO -0.07 0.50 -0.20 -0.08 0.09 0.00 0.00 178.44 178.68 1je3 h GLU 46 N 0.92 0.00 0.00 1.13 4.81 -1.34 -1.96 114.58 118.14 1je3 h GLU 46 Ca 0.41 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1je3 h GLU 46 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1je3 h GLU 46 CO -0.17 0.20 -0.28 0.00 -0.73 0.00 0.00 179.01 178.03 1je3 h ALA 47 N 1.80 0.97 0.38 2.92 0.00 0.11 -3.13 119.26 122.30 1je3 h ALA 47 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1je3 h ALA 47 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1je3 h ALA 47 CO 0.03 0.34 -0.31 0.52 0.00 0.00 0.00 179.25 179.83 1je3 h MET 48 N 0.00 -0.67 -0.19 0.00 2.86 -1.15 0.12 114.93 115.91 1je3 h MET 48 Ca -0.00 0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1je3 h MET 48 Cb 0.87 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1je3 h MET 48 CO 0.04 -0.44 -0.25 -1.35 1.06 0.00 0.00 176.91 175.96 1je3 h PRO 49 N -0.69 0.51 0.00 -0.22 0.11 -1.70 -2.86 132.00 127.14 1je3 h PRO 49 Ca -0.03 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1je3 h PRO 49 Cb 0.61 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1je3 h PRO 49 CO -0.02 0.88 0.00 1.04 -0.21 0.00 0.00 178.00 179.69 1je3 n GLN 50 N -4.40 0.64 -1.17 1.05 6.02 -1.18 -4.89 117.38 113.46 1je3 n GLN 50 Ca -0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.56 1je3 n GLN 50 Cb 0.44 -1.09 0.04 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.59 -2.79 0.00 1.08 -0.00 0.42 -4.99 117.00 110.14 1je3 n LEU 51 Ca 0.03 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 1je3 n LEU 51 Cb 0.01 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 1je3 n LEU 51 CO 0.02 -4.57 0.00 0.29 -0.00 0.00 0.00 177.39 173.13 1je3 n LYS 52 N 0.96 3.13 0.00 1.47 4.01 -1.26 -5.00 118.16 121.48 1je3 n LYS 52 Ca 0.06 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.88 1je3 n LYS 52 Cb 0.51 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 35.16 1je3 n LYS 52 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1je3 n LYS 53 N 0.00 0.90 0.00 1.97 3.00 -1.26 -4.51 118.16 118.26 1je3 n LYS 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1je3 n LYS 53 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1je3 n GLY 54 N 0.46 -1.50 3.92 3.14 0.00 -1.26 -5.02 105.19 104.94 1je3 n GLY 54 Ca 0.03 0.76 -0.28 0.00 0.00 0.00 0.00 46.02 46.53 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 1.68 0.07 1.61 -1.05 -1.26 -4.70 118.70 115.04 1je3 s GLU 55 Ca 0.00 -0.17 -0.26 0.00 -0.15 0.00 0.00 54.97 54.39 1je3 s GLU 55 Cb 0.00 -2.00 0.07 0.00 -0.44 0.00 0.00 34.13 31.76 1je3 s GLU 55 CO 0.00 -1.70 0.64 0.42 0.95 0.00 0.00 175.26 175.57 1je3 s ILE 56 N -3.55 0.00 0.07 1.83 1.01 -1.26 -0.29 121.20 119.01 1je3 s ILE 56 Ca 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 1je3 s ILE 56 Cb -0.09 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1je3 s ILE 56 CO 0.49 0.00 -0.01 -0.22 0.00 0.00 0.00 174.94 175.19 1je3 s LEU 57 N -2.11 2.34 -0.16 2.97 2.96 0.39 0.70 118.68 125.77 1je3 s LEU 57 Ca -0.04 -1.05 -0.04 0.00 -0.22 0.00 0.00 54.13 52.79 1je3 s LEU 57 Cb -0.01 0.19 0.07 0.00 0.50 0.00 0.00 46.19 46.95 1je3 s LEU 57 CO -0.04 -0.62 0.17 -1.61 -1.32 0.00 0.00 176.35 172.93 1je3 s GLU 58 N -3.94 0.10 -0.23 1.98 2.02 -0.76 -3.13 118.70 114.74 1je3 s GLU 58 Ca 0.11 0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.35 1je3 s GLU 58 Cb 0.08 -1.08 0.03 0.00 0.10 0.00 0.00 34.13 33.26 1je3 s GLU 58 CO -0.07 -0.55 -0.12 0.08 0.02 0.00 0.00 175.26 174.62 1je3 s VAL 59 N 2.26 2.41 -0.46 2.63 1.01 0.65 -0.34 120.40 128.58 1je3 s VAL 59 Ca 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1je3 s VAL 59 Cb -0.15 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.13 1je3 s VAL 59 CO -0.09 0.23 0.19 -0.69 0.00 0.00 0.00 175.10 174.74 1je3 s VAL 60 N 1.24 2.60 0.35 2.92 1.01 0.25 -0.16 120.40 128.62 1je3 s VAL 60 Ca -0.01 -2.87 0.03 0.00 0.00 0.00 0.00 61.98 59.13 1je3 s VAL 60 Cb -0.17 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1je3 s VAL 60 CO -0.07 -0.73 0.10 -0.94 0.00 0.00 0.00 175.10 173.47 1je3 s SER 61 N 0.33 2.25 -0.11 3.32 1.04 -0.69 -0.56 113.70 119.29 1je3 s SER 61 Ca 0.14 -1.52 0.03 0.00 0.48 0.00 0.00 55.95 55.08 1je3 s SER 61 Cb -0.23 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1je3 s SER 61 CO -0.03 -0.79 -0.19 -0.62 0.98 0.00 0.00 173.24 172.58 1je3 s ASP 62 N -3.49 3.49 -0.18 7.02 -1.08 -1.13 -1.94 116.67 119.35 1je3 s ASP 62 Ca 0.32 -0.45 -0.05 0.00 -0.52 0.00 0.00 52.55 51.85 1je3 s ASP 62 Cb 0.06 -1.42 0.09 0.00 -1.46 0.00 0.00 42.92 40.19 1je3 s ASP 62 CO 0.15 0.18 0.34 0.00 0.52 0.00 0.00 175.17 176.36 1je3 h PRO 64 N 8.23 0.00 0.00 0.00 0.13 -1.98 -3.43 132.00 134.94 1je3 h PRO 64 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1je3 h PRO 64 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1je3 h PRO 64 CO 0.16 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.97 1je3 n GLN 65 N -2.74 2.74 -0.01 0.86 6.02 -1.26 -5.05 117.38 117.94 1je3 n GLN 65 Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.07 1je3 n GLN 65 Cb 0.12 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.24 1je3 n GLN 65 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1je3 n SER 66 N -0.74 0.68 -4.72 1.08 2.88 -1.26 -4.96 113.62 106.58 1je3 n SER 66 Ca 0.00 -0.14 -0.42 0.00 -1.33 0.00 0.00 58.87 56.98 1je3 n SER 66 Cb 0.00 1.74 -0.03 0.00 -0.75 0.00 0.00 64.21 65.17 1je3 n SER 66 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1je3 s ILE 67 N -3.23 3.41 -0.03 2.46 -1.09 -1.26 -5.02 121.20 116.43 1je3 s ILE 67 Ca -0.05 1.03 0.01 0.00 -2.23 0.00 0.00 60.65 59.41 1je3 s ILE 67 Cb 0.12 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1je3 s ILE 67 CO 0.79 0.09 -0.01 0.54 -1.23 0.00 0.00 174.94 175.12 1je3 s ASN 68 N 1.00 0.53 0.04 3.58 6.03 -1.26 -4.97 114.94 119.89 1je3 s ASN 68 Ca 0.63 -0.05 -0.23 0.00 -1.03 0.00 0.00 52.86 52.18 1je3 s ASN 68 Cb -0.36 -0.27 -0.15 0.00 -3.03 0.00 0.00 41.25 37.44 1je3 s ASN 68 CO 0.31 -0.09 1.46 0.78 -2.03 0.00 0.00 177.10 177.53 1je3 h ASN 69 N 7.25 0.14 0.34 3.54 4.21 -1.94 -2.89 115.58 126.22 1je3 h ASN 69 Ca -0.41 -0.32 -0.00 0.00 1.21 0.00 0.00 56.30 56.78 1je3 h ASN 69 Cb 1.14 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.28 1je3 h ASN 69 CO 0.47 0.42 -0.31 0.40 -1.29 0.00 0.00 177.43 177.12 1je3 h ILE 70 N -0.15 0.36 -0.31 2.81 1.08 -1.94 -0.62 117.51 118.74 1je3 h ILE 70 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1je3 h ILE 70 Cb 0.35 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1je3 h ILE 70 CO 0.00 0.00 0.06 1.55 -0.69 0.00 0.00 178.15 179.07 1je3 h PRO 71 N -0.67 0.44 0.00 2.37 0.13 -1.99 -1.83 132.00 130.45 1je3 h PRO 71 Ca -0.02 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.96 1je3 h PRO 71 Cb 0.59 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1je3 h PRO 71 CO -0.04 0.43 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.74 1je3 h LEU 72 N 0.44 0.00 0.72 1.56 4.07 -1.26 -1.31 115.31 119.52 1je3 h LEU 72 Ca 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1je3 h LEU 72 Cb 0.20 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.94 1je3 h LEU 72 CO -0.00 0.35 -0.34 0.44 -1.08 0.00 0.00 178.44 177.81 1je3 h ASP 73 N 0.00 -0.81 -0.39 -0.43 5.19 -0.23 0.24 116.42 119.99 1je3 h ASP 73 Ca -0.00 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.33 1je3 h ASP 73 Cb 0.64 0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.35 1je3 h ASP 73 CO 0.05 -0.55 -0.10 0.00 -3.12 0.00 0.00 179.24 175.52 1je3 h ALA 74 N -0.75 0.96 0.42 3.45 0.00 -1.52 -3.06 119.26 118.76 1je3 h ALA 74 Ca -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1je3 h ALA 74 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1je3 h ALA 74 CO 0.16 0.62 -0.20 -0.09 0.00 0.00 0.00 179.25 179.73 1je3 h ARG 75 N 0.75 -0.55 -0.40 0.00 2.43 -1.17 0.38 114.38 115.83 1je3 h ARG 75 Ca 0.13 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 1je3 h ARG 75 Cb 0.60 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.18 1je3 h ARG 75 CO 0.04 -0.28 -0.35 -0.97 -1.51 0.00 0.00 179.97 176.90 1je3 h ASN 76 N -0.74 -1.17 0.00 -3.80 -0.73 -0.54 -3.22 115.58 105.39 1je3 h ASN 76 Ca -0.06 0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1je3 h ASN 76 Cb 0.52 0.54 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1je3 h ASN 76 CO 0.09 -0.33 0.00 1.57 -0.37 0.00 0.00 177.43 178.39 1je3 n HIS 77 N -5.42 0.00 0.00 0.67 -0.00 -1.16 -5.02 115.22 104.30 1je3 n HIS 77 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1je3 n HIS 77 Cb 0.34 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 1je3 n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1je3 n GLY 78 N 0.58 0.29 0.00 1.57 0.00 0.12 -5.11 105.19 102.64 1je3 n GLY 78 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.90 -0.04 1.61 0.18 -0.41 -4.94 117.16 111.65 1je3 n TYR 79 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1je3 n TYR 79 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1je3 n THR 80 N -0.83 0.77 -3.63 -3.48 -1.04 -1.26 -5.01 114.28 99.79 1je3 n THR 80 Ca 0.00 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.76 1je3 n THR 80 Cb 0.00 -1.70 -0.16 0.00 -1.82 0.00 0.00 70.33 66.64 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 -2.24 -0.19 -0.29 12.58 1.01 -0.63 -5.00 120.40 125.65 1je3 s VAL 81 Ca -0.14 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1je3 s VAL 81 Cb 0.05 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1je3 s VAL 81 CO 0.19 0.02 -0.01 -0.76 0.00 0.00 0.00 175.10 174.54 1je3 s LEU 82 N 2.23 3.64 0.29 3.92 2.01 -1.26 -1.60 118.68 127.91 1je3 s LEU 82 Ca 0.04 -1.67 0.08 0.00 0.01 0.00 0.00 54.13 52.59 1je3 s LEU 82 Cb -0.13 -1.43 -0.06 0.00 0.01 0.00 0.00 46.19 44.58 1je3 s LEU 82 CO -0.06 -0.30 -0.10 -1.81 1.01 0.00 0.00 176.35 175.09 1je3 s ASP 83 N 1.14 3.09 0.18 2.29 1.01 -0.43 -5.03 116.67 118.91 1je3 s ASP 83 Ca 0.02 -1.15 -0.01 0.00 0.71 0.00 0.00 52.55 52.11 1je3 s ASP 83 Cb -0.19 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 1je3 s ASP 83 CO -0.09 -0.24 0.10 0.27 0.21 0.00 0.00 175.17 175.43 1je3 s ILE 84 N -2.84 0.05 0.06 0.77 -4.36 -1.26 -0.91 121.20 112.70 1je3 s ILE 84 Ca 0.29 -1.97 -0.19 0.00 -0.26 0.00 0.00 60.65 58.52 1je3 s ILE 84 Cb 0.02 -2.34 0.04 0.00 1.25 0.00 0.00 42.46 41.43 1je3 s ILE 84 CO 0.13 -0.17 0.45 -1.10 0.24 0.00 0.00 174.94 174.49 1je3 s GLN 85 N -4.12 0.99 0.09 0.37 -0.21 0.13 -4.92 119.66 111.99 1je3 s GLN 85 Ca 0.34 -0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.37 1je3 s GLN 85 Cb 0.07 0.44 -0.03 0.00 1.00 0.00 0.00 33.01 34.49 1je3 s GLN 85 CO 0.08 -0.36 -0.10 -1.14 -2.12 0.00 0.00 175.29 171.66 1je3 s GLN 86 N -2.72 0.80 0.00 2.91 0.74 -1.26 -0.89 119.66 119.24 1je3 s GLN 86 Ca -0.04 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.28 1je3 s GLN 86 Cb -0.00 -0.51 0.00 0.00 1.10 0.00 0.00 33.01 33.60 1je3 s GLN 86 CO -0.04 0.08 0.00 -0.25 -0.55 0.00 0.00 175.29 174.53 1je3 n ASP 87 N 0.71 0.00 0.00 6.67 8.00 -1.21 -4.97 116.55 125.75 1je3 n ASP 87 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1je3 n ASP 87 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 3.52 1.59 0.04 0.44 0.00 -1.26 -4.94 105.19 104.58 1je3 n GLY 88 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 1.05 -4.12 1.61 -0.04 -1.26 -4.84 135.00 127.40 1je3 n PRO 89 Ca 0.00 -0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 1je3 n PRO 89 Cb 0.00 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.97 0.00 -0.06 0.52 -4.23 -1.26 -4.90 115.64 103.74 1je3 s THR 90 Ca 0.04 -1.68 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1je3 s THR 90 Cb 0.02 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1je3 s THR 90 CO 0.03 0.00 0.18 -0.51 -0.54 0.00 0.00 174.62 173.78 1je3 s ILE 91 N -3.37 0.00 -0.04 2.99 2.07 -0.82 -3.29 121.20 118.74 1je3 s ILE 91 Ca 0.32 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.54 1je3 s ILE 91 Cb 0.01 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.34 1je3 s ILE 91 CO 0.19 -0.02 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.53 1je3 s ARG 92 N 0.02 0.94 0.31 3.50 3.52 -0.07 -1.69 118.95 125.48 1je3 s ARG 92 Ca -0.01 -0.21 0.08 0.00 -0.13 0.00 0.00 55.73 55.47 1je3 s ARG 92 Cb -0.02 -0.88 -0.06 0.00 -1.56 0.00 0.00 34.95 32.43 1je3 s ARG 92 CO 0.00 0.01 -0.08 0.71 -0.81 0.00 0.00 175.30 175.13 1je3 s TYR 93 N 0.56 2.21 0.10 5.12 2.02 0.78 0.19 117.35 128.34 1je3 s TYR 93 Ca -0.08 -0.58 -0.17 0.00 -0.37 0.00 0.00 57.07 55.87 1je3 s TYR 93 Cb -0.12 -1.26 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1je3 s TYR 93 CO 0.01 0.46 0.42 -0.48 -1.57 0.00 0.00 175.55 174.39 1je3 s LEU 94 N -3.54 0.34 0.15 -1.29 2.34 -0.09 -0.25 118.68 116.35 1je3 s LEU 94 Ca 0.31 -0.21 0.02 0.00 0.06 0.00 0.00 54.13 54.31 1je3 s LEU 94 Cb 0.03 1.86 -0.04 0.00 -0.56 0.00 0.00 46.19 47.47 1je3 s LEU 94 CO 0.14 -0.81 -0.03 0.27 -1.06 0.00 0.00 176.35 174.86 1je3 s ILE 95 N -3.45 0.77 0.07 1.48 -5.25 -1.18 -1.31 121.20 112.33 1je3 s ILE 95 Ca 0.01 -1.98 -0.19 0.00 -0.99 0.00 0.00 60.65 57.49 1je3 s ILE 95 Cb 0.01 -1.96 0.04 0.00 2.95 0.00 0.00 42.46 43.50 1je3 s ILE 95 CO -0.09 -0.63 0.45 0.00 -1.79 0.00 0.00 174.94 172.88 1je3 s GLN 96 N -3.86 1.00 0.00 0.37 -2.07 -0.62 -0.46 119.66 114.02 1je3 s GLN 96 Ca 0.19 -0.41 0.00 0.00 -1.82 0.00 0.00 55.36 53.32 1je3 s GLN 96 Cb 0.05 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 1je3 s GLN 96 CO 0.01 -0.37 0.42 1.17 -1.32 0.00 0.00 175.29 175.20