#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 -0.96 0.06 3.03 0.00 -1.26 -4.31 105.19 101.75 1je3 n GLY 2 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1je3 n GLY 2 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1je3 h SER 3 N 0.56 0.00 -3.30 1.61 0.87 -2.15 -3.47 113.55 107.68 1je3 h SER 3 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 1je3 h SER 3 Cb 0.49 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.15 1je3 h SER 3 CO 0.00 0.68 -0.81 -0.94 -0.53 0.00 0.00 176.83 175.23 1je3 s SER 4 N -5.56 3.63 0.93 6.23 1.04 -1.26 -5.13 113.70 113.58 1je3 s SER 4 Ca -0.12 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 1je3 s SER 4 Cb 0.02 -1.54 0.17 0.00 0.10 0.00 0.00 66.02 64.77 1je3 s SER 4 CO 0.18 0.12 1.29 -1.00 0.98 0.00 0.00 173.24 174.81 1je3 s HIS 5 N 0.58 1.89 -0.36 5.02 4.02 -1.26 -4.78 115.29 120.40 1je3 s HIS 5 Ca -0.10 0.41 -0.00 0.00 1.02 0.00 0.00 55.06 56.39 1je3 s HIS 5 Cb -0.16 -3.98 0.10 0.00 -1.02 0.00 0.00 32.58 27.52 1je3 s HIS 5 CO 0.03 -2.45 0.11 -1.58 1.02 0.00 0.00 174.74 171.87 1je3 s HIS 6 N -3.82 3.59 -0.07 1.40 5.65 -1.26 -4.90 115.29 115.89 1je3 s HIS 6 Ca 0.71 -2.55 0.10 0.00 0.25 0.00 0.00 55.06 53.58 1je3 s HIS 6 Cb -0.05 -2.92 0.16 0.00 -1.18 0.00 0.00 32.58 28.59 1je3 s HIS 6 CO 0.52 -0.94 1.08 0.72 -0.65 0.00 0.00 174.74 175.47 1je3 n HIS 7 N 4.47 0.00 0.13 3.88 -0.00 -1.26 -4.65 115.22 117.79 1je3 n HIS 7 Ca -0.02 -0.76 -0.00 0.00 -0.00 0.00 0.00 57.72 56.94 1je3 n HIS 7 Cb 0.42 -0.10 0.13 0.00 -0.00 0.00 0.00 29.99 30.43 1je3 n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1je3 h HIS 8 N 0.00 0.00 -3.56 4.41 -0.00 -2.04 -3.40 115.15 110.56 1je3 h HIS 8 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.68 1je3 h HIS 8 Cb 0.78 0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 27.85 1je3 h HIS 8 CO 0.00 0.62 -0.59 -1.01 -0.00 0.00 0.00 177.93 176.95 1je3 s HIS 9 N -3.30 3.50 0.01 5.26 0.09 -1.26 -4.96 115.29 114.62 1je3 s HIS 9 Ca 0.00 -2.23 -0.20 0.00 -0.00 0.00 0.00 55.06 52.64 1je3 s HIS 9 Cb 0.11 -2.92 -0.23 0.00 -0.00 0.00 0.00 32.58 29.54 1je3 s HIS 9 CO 0.75 -0.92 1.11 1.25 -0.00 0.00 0.00 174.74 176.93 1je3 h HIS 10 N 8.05 0.60 -4.57 1.40 6.17 -1.95 -3.48 115.15 121.38 1je3 h HIS 10 Ca -0.15 -0.32 -0.24 0.00 0.71 0.00 0.00 60.37 60.37 1je3 h HIS 10 Cb 1.05 -0.07 -0.15 0.00 2.52 0.00 0.00 27.41 30.76 1je3 h HIS 10 CO 0.57 1.13 -0.61 -1.12 0.71 0.00 0.00 177.93 178.61 1je3 s SER 11 N -6.73 0.15 -0.08 3.26 0.01 -1.26 -5.07 113.70 103.99 1je3 s SER 11 Ca -0.13 -1.38 0.09 0.00 1.31 0.00 0.00 55.95 55.84 1je3 s SER 11 Cb 0.04 0.38 -0.13 0.00 0.21 0.00 0.00 66.02 66.52 1je3 s SER 11 CO 0.82 -0.84 0.08 -0.24 0.41 0.00 0.00 173.24 173.47 1je3 n SER 12 N -0.27 2.56 -4.10 2.44 2.88 -1.26 -4.94 113.62 110.93 1je3 n SER 12 Ca 0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.23 1je3 n SER 12 Cb 0.66 0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 64.87 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 -4.00 1.55 0.00 0.46 0.00 -1.26 -3.84 107.32 100.23 1je3 s GLY 13 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1je3 s GLY 13 CO 0.41 0.48 0.00 1.04 0.00 0.00 0.00 173.10 175.03 1je3 n LEU 14 N 4.52 0.00 -4.80 0.66 4.77 -1.26 -5.00 117.00 115.90 1je3 n LEU 14 Ca -0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 1je3 n LEU 14 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1je3 n LEU 14 CO 0.23 0.00 -0.25 0.68 -1.33 0.00 0.00 177.39 176.73 1je3 s VAL 15 N -0.96 4.69 0.02 4.08 -7.23 -1.26 -3.57 120.40 116.16 1je3 s VAL 15 Ca 0.00 -0.65 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 1je3 s VAL 15 Cb 0.00 -3.24 -0.31 0.00 0.56 0.00 0.00 36.38 33.39 1je3 s VAL 15 CO 0.00 0.17 0.93 1.55 -0.31 0.00 0.00 175.10 177.44 1je3 h PRO 16 N 3.42 0.37 -5.79 4.82 0.13 -2.02 -3.48 132.00 129.45 1je3 h PRO 16 Ca -0.47 -0.64 -0.64 0.00 -0.87 0.00 0.00 66.00 63.38 1je3 h PRO 16 Cb 1.17 0.24 -0.05 0.00 0.13 0.00 0.00 31.00 32.48 1je3 h PRO 16 CO 0.67 1.28 -0.48 0.50 -0.23 0.00 0.00 178.00 179.73 1je3 s ARG 17 N -2.61 3.45 0.00 0.86 3.52 -1.25 -5.10 118.95 117.81 1je3 s ARG 17 Ca -0.09 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1je3 s ARG 17 Cb 0.06 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1je3 s ARG 17 CO 0.89 0.69 0.00 0.41 -0.81 0.00 0.00 175.30 176.48 1je3 n GLY 18 N 1.10 2.77 0.08 8.12 0.00 -1.23 -4.23 105.19 111.80 1je3 n GLY 18 Ca -0.12 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 1je3 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1je3 n SER 19 N 0.00 1.80 -4.88 1.61 3.41 -1.25 -4.90 113.62 109.41 1je3 n SER 19 Ca 0.00 0.39 -0.30 0.00 -0.26 0.00 0.00 58.87 58.70 1je3 n SER 19 Cb 0.00 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.15 1je3 n SER 19 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1je3 s HIS 20 N -2.64 3.45 0.42 7.33 3.76 -1.26 -5.05 115.29 121.30 1je3 s HIS 20 Ca -0.24 0.86 -0.25 0.00 -0.15 0.00 0.00 55.06 55.28 1je3 s HIS 20 Cb 0.03 -2.27 -0.08 0.00 1.11 0.00 0.00 32.58 31.37 1je3 s HIS 20 CO 0.35 0.11 1.26 -1.64 -0.85 0.00 0.00 174.74 173.98 1je3 s MET 21 N -3.41 3.91 -0.59 1.40 1.00 -1.26 -4.97 119.30 115.38 1je3 s MET 21 Ca 0.48 2.05 -0.21 0.00 0.00 0.00 0.00 55.69 58.01 1je3 s MET 21 Cb -0.11 -2.67 0.07 0.00 0.00 0.00 0.00 34.83 32.13 1je3 s MET 21 CO 0.27 -0.51 0.82 0.15 0.00 0.00 0.00 175.02 175.75 1je3 s LYS 22 N -2.34 3.13 -0.57 2.03 1.02 -1.26 -4.90 119.74 116.85 1je3 s LYS 22 Ca 0.59 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1je3 s LYS 22 Cb -0.36 -4.18 0.45 0.00 -0.52 0.00 0.00 37.83 33.22 1je3 s LYS 22 CO 0.45 -1.56 1.80 0.09 -0.92 0.00 0.00 175.35 175.21 1je3 n ASN 23 N 6.96 6.94 -3.05 2.83 3.02 -1.26 -4.97 115.26 125.73 1je3 n ASN 23 Ca -0.05 -3.78 -0.17 0.00 -0.03 0.00 0.00 54.58 50.55 1je3 n ASN 23 Cb 0.45 -0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 1je3 n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1je3 n ILE 24 N -0.85 0.00 -1.75 2.41 -5.35 -1.26 -5.13 119.36 107.43 1je3 n ILE 24 Ca 0.58 -1.83 -0.40 0.00 -0.27 0.00 0.00 62.75 60.83 1je3 n ILE 24 Cb 0.74 0.77 0.02 0.00 -1.74 0.00 0.00 39.64 39.43 1je3 n ILE 24 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1je3 n VAL 25 N -0.61 2.92 0.00 7.28 0.24 -1.26 -4.97 118.33 121.94 1je3 n VAL 25 Ca -0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1je3 n VAL 25 Cb 0.46 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1je3 n PRO 26 N -0.28 0.00 -3.11 7.34 -0.02 -1.26 -4.94 135.00 132.73 1je3 n PRO 26 Ca 0.06 0.23 -0.06 0.00 -2.02 0.00 0.00 63.50 61.71 1je3 n PRO 26 Cb 0.42 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1je3 n PRO 26 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1je3 n ASP 27 N -0.64 -7.44 -4.91 2.55 2.03 0.12 -4.95 116.55 103.32 1je3 n ASP 27 Ca 0.00 -0.03 -0.20 0.00 0.52 0.00 0.00 54.79 55.08 1je3 n ASP 27 Cb 0.00 -4.80 -0.02 0.00 -0.72 0.00 0.00 41.12 35.58 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 -2.85 3.01 0.01 -0.67 1.51 -1.19 -4.91 117.35 112.26 1je3 s TYR 28 Ca 0.07 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1je3 s TYR 28 Cb -0.02 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1je3 s TYR 28 CO 0.78 0.11 -0.09 0.50 -1.11 0.00 0.00 175.55 175.74 1je3 s ARG 29 N -4.07 0.67 -0.41 -0.62 3.52 -1.23 0.28 118.95 117.09 1je3 s ARG 29 Ca 0.42 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1je3 s ARG 29 Cb -0.07 -0.62 0.14 0.00 -1.56 0.00 0.00 34.95 32.83 1je3 s ARG 29 CO 0.29 0.16 0.23 -1.17 -0.81 0.00 0.00 175.30 173.99 1je3 s LEU 30 N -0.57 2.15 -1.01 -0.88 1.98 -0.72 -4.97 118.68 114.66 1je3 s LEU 30 Ca 0.01 -2.48 -0.02 0.00 -2.89 0.00 0.00 54.13 48.74 1je3 s LEU 30 Cb -0.05 -0.83 0.31 0.00 0.66 0.00 0.00 46.19 46.28 1je3 s LEU 30 CO 0.00 -0.28 1.53 -0.90 -1.89 0.00 0.00 176.35 174.81 1je3 n ASP 31 N 3.70 6.49 0.00 3.68 5.68 -1.23 -0.16 116.55 134.71 1je3 n ASP 31 Ca 0.10 -3.53 0.00 0.00 -0.50 0.00 0.00 54.79 50.86 1je3 n ASP 31 Cb 0.35 -1.16 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 0.72 0.00 -4.20 0.11 2.81 -0.81 -4.94 117.12 110.81 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 0.31 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 0.54 1.51 0.00 0.00 175.97 178.02 1je3 s VAL 33 N 2.12 0.82 -1.65 2.03 0.11 -1.26 -3.00 120.40 119.58 1je3 s VAL 33 Ca 0.00 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 1je3 s VAL 33 Cb 0.00 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.07 1je3 s VAL 33 CO 0.00 -0.80 0.59 0.61 -3.33 0.00 0.00 175.10 172.18 1je3 n GLY 34 N -0.11 -0.08 3.54 6.54 0.00 -1.21 -4.69 105.19 109.18 1je3 n GLY 34 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1je3 n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1je3 s GLU 35 N -1.65 3.81 -0.81 1.61 2.12 -1.26 -4.47 118.70 118.06 1je3 s GLU 35 Ca 0.00 -0.41 -0.26 0.00 0.36 0.00 0.00 54.97 54.66 1je3 s GLU 35 Cb 0.00 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.12 1je3 s GLU 35 CO 0.00 0.02 1.50 -1.25 -0.54 0.00 0.00 175.26 174.99 1je3 s PRO 36 N 1.06 3.12 0.07 4.30 0.04 -1.26 -4.67 135.00 137.66 1je3 s PRO 36 Ca 0.04 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1je3 s PRO 36 Cb -0.14 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1je3 s PRO 36 CO 0.03 -2.41 0.00 0.00 0.04 0.00 0.00 177.00 174.66 1je3 n PRO 38 N -3.17 0.00 -3.25 0.00 -0.04 -1.26 -4.99 135.00 122.29 1je3 n PRO 38 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 1je3 n PRO 38 Cb 0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.59 1je3 n PRO 38 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1je3 n TYR 39 N 0.00 2.57 0.00 0.54 4.02 -1.26 -4.99 117.16 118.04 1je3 n TYR 39 Ca 0.00 -3.97 0.00 0.00 -0.01 0.00 0.00 57.90 53.92 1je3 n TYR 39 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1je3 n PRO 40 N 0.68 0.00 0.00 -0.72 -0.04 -1.26 -4.48 135.00 129.18 1je3 n PRO 40 Ca 0.28 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.74 1je3 n PRO 40 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 1.52 -0.32 0.55 0.00 -1.26 -3.07 120.51 114.93 1je3 n ALA 41 Ca 0.00 -0.01 0.23 0.00 0.00 0.00 0.00 53.44 53.66 1je3 n ALA 41 Cb 0.00 -1.02 0.51 0.00 0.00 0.00 0.00 19.45 18.95 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 0.54 -0.08 0.00 2.07 -1.94 0.45 116.25 117.28 1je3 h VAL 42 Ca 0.00 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 1je3 h VAL 42 Cb 0.00 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1je3 h VAL 42 CO 0.00 0.07 -0.69 0.00 0.02 0.00 0.00 177.57 176.97 1je3 h ALA 43 N 1.61 0.65 -0.25 1.67 0.00 -1.83 -2.98 119.26 118.13 1je3 h ALA 43 Ca 0.58 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1je3 h ALA 43 Cb 1.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1je3 h ALA 43 CO -0.28 0.75 0.13 1.15 0.00 0.00 0.00 179.25 181.01 1je3 h THR 44 N 0.27 1.12 -0.21 0.00 2.02 -0.38 -0.24 112.91 115.48 1je3 h THR 44 Ca -0.02 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1je3 h THR 44 Cb 1.25 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1je3 h THR 44 CO 0.12 0.12 0.06 -0.07 0.37 0.00 0.00 175.52 176.11 1je3 h LEU 45 N 0.29 0.32 -0.34 2.58 3.38 -1.41 -2.28 115.31 117.85 1je3 h LEU 45 Ca 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1je3 h LEU 45 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1je3 h LEU 45 CO -0.01 0.46 0.00 -1.84 0.09 0.00 0.00 178.44 177.14 1je3 n GLU 46 N -4.76 0.10 0.01 1.13 0.28 -1.13 -2.54 120.64 113.73 1je3 n GLU 46 Ca -0.04 0.33 -0.17 0.00 -0.16 0.00 0.00 57.16 57.12 1je3 n GLU 46 Cb 0.17 -1.69 -0.07 0.00 1.43 0.00 0.00 31.44 31.28 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 0.29 -0.57 -1.84 0.00 -0.44 -3.18 119.26 115.92 1je3 h ALA 47 Ca 0.00 -0.63 0.10 0.00 0.00 0.00 0.00 54.91 54.38 1je3 h ALA 47 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1je3 h ALA 47 CO 0.00 0.70 0.13 0.00 0.00 0.00 0.00 179.25 180.08 1je3 h MET 48 N 0.46 0.26 0.59 0.00 -0.00 -1.37 0.41 114.93 115.28 1je3 h MET 48 Ca -0.07 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1je3 h MET 48 Cb 1.49 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 33.04 1je3 h MET 48 CO 0.17 0.17 -0.29 -1.35 -0.00 0.00 0.00 176.91 175.61 1je3 h PRO 49 N 0.26 -0.77 -0.71 -0.10 0.11 -1.72 -3.02 132.00 126.05 1je3 h PRO 49 Ca 0.29 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1je3 h PRO 49 Cb 0.42 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1je3 h PRO 49 CO -0.37 -0.49 0.00 1.04 -0.21 0.00 0.00 178.00 177.96 1je3 n GLN 50 N -5.31 0.69 -1.25 1.05 6.02 -1.14 -4.90 117.38 112.53 1je3 n GLN 50 Ca -0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.52 1je3 n GLN 50 Cb 0.32 -1.34 0.05 0.00 1.02 0.00 0.00 30.24 30.30 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 0.18 -0.54 0.00 1.08 -0.00 0.14 -4.98 117.00 112.88 1je3 n LEU 51 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1je3 n LEU 51 Cb 0.18 -1.11 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 1je3 n LEU 51 CO 0.00 -3.65 0.00 0.29 -0.00 0.00 0.00 177.39 174.03 1je3 n LYS 52 N -0.00 3.84 -2.21 1.47 5.02 -1.26 -5.04 118.16 119.97 1je3 n LYS 52 Ca 0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1je3 n LYS 52 Cb 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.54 1je3 n LYS 52 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1je3 n LYS 53 N -0.00 3.71 0.00 1.97 5.02 -1.26 -4.55 118.16 123.05 1je3 n LYS 53 Ca 0.00 -3.98 0.00 0.00 -2.02 0.00 0.00 58.31 52.31 1je3 n LYS 53 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 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 -0.37 0.46 3.55 0.72 0.00 -1.26 -5.03 105.19 103.27 1je3 n GLY 54 Ca 0.50 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.42 -0.05 1.61 4.04 -1.26 -4.50 118.70 117.12 1je3 s GLU 55 Ca 0.00 -0.01 -0.30 0.00 0.04 0.00 0.00 54.97 54.71 1je3 s GLU 55 Cb 0.00 -1.57 0.07 0.00 0.02 0.00 0.00 34.13 32.65 1je3 s GLU 55 CO 0.00 -3.85 0.65 0.42 -1.84 0.00 0.00 175.26 170.64 1je3 s ILE 56 N -2.89 0.00 0.15 1.83 1.01 -1.26 -0.84 121.20 119.20 1je3 s ILE 56 Ca 0.70 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.34 1je3 s ILE 56 Cb -0.11 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1je3 s ILE 56 CO 0.56 -0.02 -0.03 -0.22 0.00 0.00 0.00 174.94 175.24 1je3 s LEU 57 N -1.15 2.28 -0.11 2.97 2.96 0.23 0.16 118.68 126.02 1je3 s LEU 57 Ca -0.11 -1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 52.61 1je3 s LEU 57 Cb -0.01 -0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.63 1je3 s LEU 57 CO 0.09 -0.51 0.27 -1.61 -1.32 0.00 0.00 176.35 173.28 1je3 s GLU 58 N -3.87 0.29 -0.02 1.98 2.02 0.14 -3.10 118.70 116.14 1je3 s GLU 58 Ca 0.19 0.45 -0.02 0.00 0.02 0.00 0.00 54.97 55.62 1je3 s GLU 58 Cb 0.05 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.36 1je3 s GLU 58 CO 0.01 -0.08 0.06 0.08 0.02 0.00 0.00 175.26 175.35 1je3 s VAL 59 N 0.55 -0.01 -0.20 2.63 1.01 0.67 -1.76 120.40 123.30 1je3 s VAL 59 Ca -0.03 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 1je3 s VAL 59 Cb -0.05 -0.09 0.07 0.00 0.00 0.00 0.00 36.38 36.31 1je3 s VAL 59 CO -0.03 0.01 0.11 -0.69 0.00 0.00 0.00 175.10 174.50 1je3 s VAL 60 N 0.17 -0.11 0.28 2.92 1.01 0.78 -1.20 120.40 124.25 1je3 s VAL 60 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1je3 s VAL 60 Cb -0.02 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 1je3 s VAL 60 CO -0.00 -0.36 0.34 -1.20 0.00 0.00 0.00 175.10 173.88 1je3 n SER 61 N 5.28 -0.94 -4.18 3.32 7.64 -0.76 -1.93 113.62 122.05 1je3 n SER 61 Ca -0.07 -2.58 -0.33 0.00 1.01 0.00 0.00 58.87 56.90 1je3 n SER 61 Cb 0.48 1.84 -0.16 0.00 -1.01 0.00 0.00 64.21 65.36 1je3 n SER 61 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1je3 s ASP 62 N -2.77 3.42 -0.25 6.43 2.15 -1.16 -1.81 116.67 122.67 1je3 s ASP 62 Ca 0.26 -0.58 -0.02 0.00 0.43 0.00 0.00 52.55 52.64 1je3 s ASP 62 Cb -0.00 -1.54 0.14 0.00 -0.30 0.00 0.00 42.92 41.22 1je3 s ASP 62 CO 0.18 0.01 0.38 0.00 -0.17 0.00 0.00 175.17 175.57 1je3 h PRO 64 N 8.18 0.00 0.00 0.00 0.11 -1.97 -3.43 132.00 134.89 1je3 h PRO 64 Ca -0.18 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.75 1je3 h PRO 64 Cb 1.15 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.34 1je3 h PRO 64 CO 0.27 0.00 0.10 1.04 -0.21 0.00 0.00 178.00 179.20 1je3 n GLN 65 N -3.93 -1.54 -0.05 1.05 6.02 -1.26 -5.02 117.38 112.65 1je3 n GLN 65 Ca -0.01 -0.83 -0.04 0.00 -0.01 0.00 0.00 57.00 56.12 1je3 n GLN 65 Cb 0.19 -0.70 -0.11 0.00 1.02 0.00 0.00 30.24 30.64 1je3 n GLN 65 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1je3 n SER 66 N -3.70 1.58 -4.74 1.08 7.64 -1.26 -4.98 113.62 109.24 1je3 n SER 66 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 1je3 n SER 66 Cb 0.26 1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.47 1je3 n SER 66 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1je3 s ILE 67 N -2.50 3.02 -0.08 0.44 1.01 -1.26 -5.01 121.20 116.83 1je3 s ILE 67 Ca -0.07 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 1je3 s ILE 67 Cb 0.05 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1je3 s ILE 67 CO 0.58 0.11 0.33 0.54 0.00 0.00 0.00 174.94 176.51 1je3 s ASN 68 N 0.50 6.61 0.00 3.58 2.20 -1.26 -5.04 114.94 121.53 1je3 s ASN 68 Ca 0.59 0.73 0.00 0.00 -0.94 0.00 0.00 52.86 53.24 1je3 s ASN 68 Cb -0.39 -2.20 0.00 0.00 -2.00 0.00 0.00 41.25 36.66 1je3 s ASN 68 CO 0.38 0.24 0.26 -3.20 -2.94 0.00 0.00 177.10 171.85 1je3 n ASN 69 N 2.54 0.00 -0.21 3.54 5.15 -1.26 -2.82 115.26 122.20 1je3 n ASN 69 Ca -0.14 0.39 -0.03 0.00 -0.60 0.00 0.00 54.58 54.21 1je3 n ASN 69 Cb 0.53 -0.21 0.04 0.00 -0.53 0.00 0.00 39.78 39.60 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1je3 h ILE 70 N 0.00 0.25 -0.38 -1.44 1.08 -1.94 0.09 117.51 115.17 1je3 h ILE 70 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1je3 h ILE 70 Cb 0.00 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1je3 h ILE 70 CO 0.00 0.00 0.26 -0.65 -0.69 0.00 0.00 178.15 177.07 1je3 h PRO 71 N -0.09 0.39 0.00 2.37 0.11 -1.98 -1.17 132.00 131.64 1je3 h PRO 71 Ca 0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1je3 h PRO 71 Cb 0.52 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1je3 h PRO 71 CO -0.67 0.26 -0.06 1.25 -0.21 0.00 0.00 178.00 178.56 1je3 h LEU 72 N 0.40 0.00 0.12 2.35 5.85 -0.81 0.19 115.31 123.41 1je3 h LEU 72 Ca 0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1je3 h LEU 72 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1je3 h LEU 72 CO -0.04 0.06 -0.06 0.44 -0.34 0.00 0.00 178.44 178.51 1je3 h ASP 73 N 0.00 -0.14 0.56 1.25 5.19 -1.06 -1.39 116.42 120.84 1je3 h ASP 73 Ca -0.00 -0.39 -0.08 0.00 -0.62 0.00 0.00 57.03 55.95 1je3 h ASP 73 Cb 0.12 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1je3 h ASP 73 CO 0.01 0.36 -0.37 0.00 -3.12 0.00 0.00 179.24 176.12 1je3 h ALA 74 N 0.06 1.19 -0.14 3.45 0.00 -1.47 -2.79 119.26 119.56 1je3 h ALA 74 Ca -0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1je3 h ALA 74 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1je3 h ALA 74 CO 0.03 0.46 -0.64 -0.09 0.00 0.00 0.00 179.25 179.01 1je3 h ARG 75 N 0.00 0.52 0.77 0.00 2.43 -0.63 0.52 114.38 117.99 1je3 h ARG 75 Ca -0.00 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.76 1je3 h ARG 75 Cb 0.74 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1je3 h ARG 75 CO 0.05 0.98 -0.37 -0.97 -1.51 0.00 0.00 179.97 178.15 1je3 h ASN 76 N 0.38 -0.88 -0.57 -3.80 -1.24 -0.99 -3.24 115.58 105.24 1je3 h ASN 76 Ca -0.01 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.96 1je3 h ASN 76 Cb 1.20 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.45 1je3 h ASN 76 CO 0.12 -0.52 0.14 0.45 -1.29 0.00 0.00 177.43 176.33 1je3 h HIS 77 N -1.25 0.97 0.00 0.67 3.86 -1.61 -3.49 115.15 114.30 1je3 h HIS 77 Ca -0.11 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1je3 h HIS 77 Cb 0.80 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1je3 h HIS 77 CO -0.00 0.83 0.00 0.41 0.86 0.00 0.00 177.93 180.03 1je3 n GLY 78 N -0.63 0.63 0.00 2.45 0.00 0.14 -5.12 105.19 102.67 1je3 n GLY 78 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.32 0.00 0.00 1.61 4.19 -1.02 -5.01 117.16 118.25 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 -4.03 2.97 -1.04 -1.26 -5.09 114.28 105.82 1je3 n THR 80 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1je3 n THR 80 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 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 -0.77 2.54 -0.33 12.58 1.01 -0.65 -5.02 120.40 129.76 1je3 s VAL 81 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1je3 s VAL 81 Cb 0.00 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.31 1je3 s VAL 81 CO 0.00 0.40 0.06 -0.76 0.00 0.00 0.00 175.10 174.80 1je3 s LEU 82 N 1.33 3.88 0.17 3.92 2.01 -1.26 -2.05 118.68 126.67 1je3 s LEU 82 Ca 0.03 -1.95 0.07 0.00 0.01 0.00 0.00 54.13 52.30 1je3 s LEU 82 Cb -0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 46.19 44.64 1je3 s LEU 82 CO -0.08 -0.38 -0.16 -1.81 1.01 0.00 0.00 176.35 174.93 1je3 s ASP 83 N 1.15 2.43 0.16 2.29 1.11 -0.90 -5.05 116.67 117.86 1je3 s ASP 83 Ca 0.10 -0.91 -0.01 0.00 0.18 0.00 0.00 52.55 51.91 1je3 s ASP 83 Cb -0.18 -0.12 -0.04 0.00 1.07 0.00 0.00 42.92 43.65 1je3 s ASP 83 CO -0.13 -0.12 0.09 0.27 1.18 0.00 0.00 175.17 176.46 1je3 s ILE 84 N -2.44 0.06 -0.01 0.77 -0.00 -1.26 -1.28 121.20 117.04 1je3 s ILE 84 Ca 0.16 -1.93 -0.22 0.00 -0.00 0.00 0.00 60.65 58.66 1je3 s ILE 84 Cb -0.03 -2.22 0.04 0.00 -0.00 0.00 0.00 42.46 40.25 1je3 s ILE 84 CO 0.05 -0.28 0.48 -1.58 -0.00 0.00 0.00 174.94 173.62 1je3 s GLN 85 N -4.09 0.89 0.17 0.37 0.74 0.18 -4.97 119.66 112.94 1je3 s GLN 85 Ca 0.30 -0.07 0.08 0.00 0.05 0.00 0.00 55.36 55.72 1je3 s GLN 85 Cb 0.07 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1je3 s GLN 85 CO 0.06 -0.28 -0.16 1.14 -0.55 0.00 0.00 175.29 175.50 1je3 s GLN 86 N -1.59 1.23 0.00 1.67 -2.07 -1.26 -1.05 119.66 116.60 1je3 s GLN 86 Ca -0.10 -1.43 0.00 0.00 -1.82 0.00 0.00 55.36 52.00 1je3 s GLN 86 Cb -0.02 -1.15 0.00 0.00 -1.09 0.00 0.00 33.01 30.75 1je3 s GLN 86 CO 0.05 0.22 0.00 -0.25 -1.32 0.00 0.00 175.29 173.98 1je3 n ASP 87 N 0.10 0.00 0.00 12.60 9.92 -1.21 -4.99 116.55 132.98 1je3 n ASP 87 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1je3 n ASP 87 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1je3 n GLY 88 N 3.41 1.60 0.02 0.44 0.00 -1.26 -4.92 105.19 104.48 1je3 n GLY 88 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.94 -4.36 1.61 -0.04 -1.26 -4.82 135.00 127.08 1je3 n PRO 89 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1je3 n PRO 89 Cb 0.00 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.96 0.25 -0.11 0.52 -4.23 -1.26 -4.73 115.64 104.12 1je3 s THR 90 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1je3 s THR 90 Cb 0.00 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.42 1je3 s THR 90 CO 0.00 0.00 0.40 -0.51 -0.54 0.00 0.00 174.62 173.97 1je3 s ILE 91 N -3.47 0.01 0.01 2.99 2.07 -0.75 -3.30 121.20 118.76 1je3 s ILE 91 Ca 0.35 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.52 1je3 s ILE 91 Cb 0.03 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 42.00 1je3 s ILE 91 CO 0.20 -0.06 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.41 1je3 s ARG 92 N -0.23 1.21 0.19 3.50 3.52 -0.21 -1.83 118.95 125.10 1je3 s ARG 92 Ca -0.04 -0.67 0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1je3 s ARG 92 Cb -0.03 -1.20 -0.04 0.00 -1.56 0.00 0.00 34.95 32.11 1je3 s ARG 92 CO 0.02 0.32 -0.19 0.71 -0.81 0.00 0.00 175.30 175.34 1je3 s TYR 93 N -0.56 1.97 -0.14 5.12 2.02 -0.34 -0.65 117.35 124.77 1je3 s TYR 93 Ca 0.05 -0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 1je3 s TYR 93 Cb -0.07 -0.96 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1je3 s TYR 93 CO 0.00 0.41 0.50 -0.48 -1.57 0.00 0.00 175.55 174.42 1je3 s LEU 94 N -2.80 0.07 0.19 -1.29 2.34 -0.41 -0.24 118.68 116.55 1je3 s LEU 94 Ca 0.19 0.83 0.06 0.00 0.06 0.00 0.00 54.13 55.27 1je3 s LEU 94 Cb -0.06 1.79 -0.05 0.00 -0.56 0.00 0.00 46.19 47.32 1je3 s LEU 94 CO 0.08 -0.28 -0.10 0.27 -1.06 0.00 0.00 176.35 175.25 1je3 s ILE 95 N -0.20 1.41 0.15 1.48 -5.25 -1.18 -2.11 121.20 115.49 1je3 s ILE 95 Ca -0.04 -2.12 -0.16 0.00 -0.99 0.00 0.00 60.65 57.34 1je3 s ILE 95 Cb -0.03 -2.03 0.03 0.00 2.95 0.00 0.00 42.46 43.38 1je3 s ILE 95 CO 0.03 -0.61 0.44 0.00 -1.79 0.00 0.00 174.94 173.01 1je3 s GLN 96 N -3.72 1.18 0.00 0.37 -2.07 -0.87 -0.60 119.66 113.95 1je3 s GLN 96 Ca 0.21 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 1je3 s GLN 96 Cb 0.02 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 1je3 s GLN 96 CO 0.05 -0.48 0.41 1.17 -1.32 0.00 0.00 175.29 175.12