#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1je3 s GLY 2 N 0.00 0.15 -0.07 3.03 0.00 -1.26 -4.74 107.32 104.42 1je3 s GLY 2 Ca 0.00 -0.16 0.22 0.00 0.00 0.00 0.00 44.72 44.78 1je3 s GLY 2 CO 0.00 3.64 1.18 1.44 0.00 0.00 0.00 173.10 179.35 1je3 n SER 3 N 13.14 1.31 -3.70 1.64 7.64 -1.26 -4.96 113.62 127.43 1je3 n SER 3 Ca 0.26 -2.47 -0.42 0.00 1.01 0.00 0.00 58.87 57.26 1je3 n SER 3 Cb 0.51 -0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.02 5.70 -2.19 6.43 7.64 -1.26 -4.93 113.62 125.04 1je3 n SER 4 Ca 0.10 -2.98 -0.01 0.00 1.01 0.00 0.00 58.87 56.98 1je3 n SER 4 Cb 1.02 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1je3 n SER 4 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1je3 n HIS 5 N 4.05 -2.52 -2.15 1.43 8.25 -1.26 -5.08 115.22 117.94 1je3 n HIS 5 Ca 0.51 -0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 57.44 1je3 n HIS 5 Cb 0.33 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 1je3 n HIS 5 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1je3 s HIS 6 N 0.50 2.94 0.08 4.41 0.09 -1.26 -4.93 115.29 117.11 1je3 s HIS 6 Ca 0.03 1.47 0.00 0.00 -0.00 0.00 0.00 55.06 56.56 1je3 s HIS 6 Cb -0.00 -3.57 0.00 0.00 -0.00 0.00 0.00 32.58 29.01 1je3 s HIS 6 CO 0.02 -1.78 0.00 -2.39 -0.00 0.00 0.00 174.74 170.59 1je3 n HIS 7 N 0.19 -0.66 0.00 1.40 -0.00 -1.26 -5.11 115.22 109.78 1je3 n HIS 7 Ca 0.03 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 1je3 n HIS 7 Cb 0.44 0.45 0.00 0.00 -0.00 0.00 0.00 29.99 30.88 1je3 n HIS 7 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1je3 n HIS 8 N -2.80 0.00 -1.77 -1.40 -0.00 -1.26 -5.10 115.22 102.89 1je3 n HIS 8 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 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 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 9 N 0.19 3.04 -0.13 -1.40 4.02 -1.26 -4.99 115.29 114.76 1je3 s HIS 9 Ca 0.00 1.47 0.17 0.00 1.02 0.00 0.00 55.06 57.72 1je3 s HIS 9 Cb 0.00 -2.94 0.29 0.00 -1.02 0.00 0.00 32.58 28.91 1je3 s HIS 9 CO 0.00 -1.20 1.15 0.72 1.02 0.00 0.00 174.74 176.43 1je3 n HIS 10 N -2.65 0.00 -3.42 1.40 -0.00 -1.26 -5.02 115.22 104.28 1je3 n HIS 10 Ca 0.08 -1.00 -0.38 0.00 -0.00 0.00 0.00 57.72 56.42 1je3 n HIS 10 Cb 0.53 -0.16 -0.07 0.00 -0.00 0.00 0.00 29.99 30.29 1je3 n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1je3 s SER 11 N -2.80 6.44 -0.06 0.41 0.15 -1.26 -4.94 113.70 111.64 1je3 s SER 11 Ca 0.31 0.52 0.20 0.00 0.70 0.00 0.00 55.95 57.67 1je3 s SER 11 Cb 0.28 -2.22 0.38 0.00 -1.71 0.00 0.00 66.02 62.74 1je3 s SER 11 CO 0.01 -0.04 1.17 -1.20 1.20 0.00 0.00 173.24 174.38 1je3 n SER 12 N 4.27 1.13 -2.02 5.45 7.64 -1.26 -5.09 113.62 123.74 1je3 n SER 12 Ca -0.09 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1je3 n SER 12 Cb 0.51 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1je3 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1je3 n GLY 13 N -0.02 -0.85 2.21 0.23 0.00 -1.26 -5.02 105.19 100.48 1je3 n GLY 13 Ca 0.09 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 1je3 n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1je3 n LEU 14 N 0.00 4.79 -0.02 0.99 7.99 -1.26 -4.82 117.00 124.68 1je3 n LEU 14 Ca 0.00 -4.91 -0.12 0.00 -0.01 0.00 0.00 56.01 50.97 1je3 n LEU 14 Cb 0.00 -0.37 -0.10 0.00 -0.11 0.00 0.00 43.42 42.83 1je3 n LEU 14 CO 0.00 2.15 0.46 0.58 -1.51 0.00 0.00 177.39 179.06 1je3 h VAL 15 N 2.37 1.34 -3.15 4.08 2.07 -2.00 -3.46 116.25 117.51 1je3 h VAL 15 Ca 0.34 -1.58 -0.39 0.00 0.82 0.00 0.00 66.70 65.88 1je3 h VAL 15 Cb 1.29 2.34 0.21 0.00 -1.52 0.00 0.00 31.29 33.62 1je3 h VAL 15 CO 0.79 0.38 -0.06 -2.84 0.02 0.00 0.00 177.57 175.86 1je3 s PRO 16 N -3.16 -2.62 -0.24 1.57 0.02 -1.26 -5.02 135.00 124.29 1je3 s PRO 16 Ca -0.16 0.04 -0.18 0.00 0.02 0.00 0.00 61.00 60.73 1je3 s PRO 16 Cb -0.00 -1.42 -0.16 0.00 0.02 0.00 0.00 34.50 32.93 1je3 s PRO 16 CO 0.60 -4.65 -0.04 0.54 -0.33 0.00 0.00 177.00 173.11 1je3 n ARG 17 N -5.46 0.58 0.00 5.54 1.74 -1.26 -5.06 116.66 112.74 1je3 n ARG 17 Ca 0.13 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1je3 n ARG 17 Cb 0.60 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1je3 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1je3 n GLY 18 N 1.36 5.67 0.20 -0.13 0.00 -1.26 -5.09 105.19 105.95 1je3 n GLY 18 Ca -0.42 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 1je3 n GLY 18 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1je3 h SER 19 N 0.00 -0.40 0.00 1.61 0.87 -2.05 -3.47 113.55 110.11 1je3 h SER 19 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1je3 h SER 19 Cb 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1je3 h SER 19 CO 0.00 -0.16 0.00 1.41 -0.53 0.00 0.00 176.83 177.55 1je3 n HIS 20 N -3.98 0.00 -2.68 2.24 -0.00 -1.26 -5.12 115.22 104.42 1je3 n HIS 20 Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.44 1je3 n HIS 20 Cb 0.19 0.19 0.07 0.00 -0.00 0.00 0.00 29.99 30.44 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1je3 s MET 21 N -0.87 2.12 -0.51 -0.41 1.00 -1.26 -5.01 119.30 114.37 1je3 s MET 21 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 55.69 54.67 1je3 s MET 21 Cb 0.00 -2.45 0.17 0.00 0.00 0.00 0.00 34.83 32.55 1je3 s MET 21 CO 0.00 -1.06 0.39 -1.59 0.00 0.00 0.00 175.02 172.76 1je3 s LYS 22 N -4.91 1.41 0.00 2.03 0.00 -1.26 -4.61 119.74 112.40 1je3 s LYS 22 Ca 0.62 -2.51 0.00 0.00 0.00 0.00 0.00 55.97 54.08 1je3 s LYS 22 Cb -0.07 -2.06 0.00 0.00 0.00 0.00 0.00 37.83 35.70 1je3 s LYS 22 CO 0.41 -1.36 0.00 0.27 0.00 0.00 0.00 175.35 174.67 1je3 n ASN 23 N 2.56 1.12 -4.62 0.03 6.94 -1.26 -5.15 115.26 114.88 1je3 n ASN 23 Ca 0.27 -0.72 -0.29 0.00 -0.02 0.00 0.00 54.58 53.81 1je3 n ASN 23 Cb 0.44 0.00 0.19 0.00 -2.36 0.00 0.00 39.78 38.04 1je3 n ASN 23 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1je3 s ILE 24 N -1.01 2.27 0.00 1.53 -4.36 -1.26 -5.07 121.20 113.31 1je3 s ILE 24 Ca 0.00 0.09 -0.00 0.00 -0.26 0.00 0.00 60.65 60.48 1je3 s ILE 24 Cb 0.00 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.38 1je3 s ILE 24 CO 0.00 -0.12 0.00 0.68 0.24 0.00 0.00 174.94 175.75 1je3 s VAL 25 N -2.71 0.02 -0.29 8.37 -7.23 -1.26 -5.10 120.40 112.20 1je3 s VAL 25 Ca 0.66 -0.16 -0.32 0.00 -1.81 0.00 0.00 61.98 60.35 1je3 s VAL 25 Cb -0.21 -0.06 -0.08 0.00 0.56 0.00 0.00 36.38 36.58 1je3 s VAL 25 CO 0.60 -0.09 2.21 -0.81 -0.31 0.00 0.00 175.10 176.70 1je3 n PRO 26 N 2.81 1.49 -0.65 4.82 -0.04 -1.26 -3.71 135.00 138.46 1je3 n PRO 26 Ca -0.14 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1je3 n PRO 26 Cb 0.59 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1je3 n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1je3 n ASP 27 N 10.79 -0.87 -4.92 3.54 -0.08 0.14 -4.69 116.55 120.46 1je3 n ASP 27 Ca 0.36 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.44 1je3 n ASP 27 Cb 0.33 -0.44 -0.02 0.00 2.34 0.00 0.00 41.12 43.34 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1je3 s TYR 28 N -0.37 2.83 -0.04 -0.67 5.04 -1.14 -4.90 117.35 118.10 1je3 s TYR 28 Ca 0.00 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1je3 s TYR 28 Cb 0.00 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.20 1je3 s TYR 28 CO 0.00 -0.12 -0.04 -0.98 -1.34 0.00 0.00 175.55 173.06 1je3 s ARG 29 N -4.17 0.78 -0.66 4.97 1.70 -1.25 0.71 118.95 121.04 1je3 s ARG 29 Ca 0.48 -0.10 0.05 0.00 -0.47 0.00 0.00 55.73 55.69 1je3 s ARG 29 Cb -0.06 -0.79 0.18 0.00 -0.57 0.00 0.00 34.95 33.70 1je3 s ARG 29 CO 0.29 -0.07 0.51 -0.11 -1.08 0.00 0.00 175.30 174.84 1je3 n LEU 30 N 3.97 2.60 -3.94 -1.89 -0.00 0.23 -4.97 117.00 112.98 1je3 n LEU 30 Ca -0.25 -5.12 -0.41 0.00 -0.00 0.00 0.00 56.01 50.22 1je3 n LEU 30 Cb 0.51 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1je3 n LEU 30 CO 0.24 1.81 1.03 0.47 -0.00 0.00 0.00 177.39 180.94 1je3 n ASP 31 N 1.93 6.16 0.00 1.96 8.00 -1.25 -0.10 116.55 133.25 1je3 n ASP 31 Ca 0.22 -3.42 0.00 0.00 0.71 0.00 0.00 54.79 52.31 1je3 n ASP 31 Cb 0.38 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 1.27 0.00 -4.13 -1.24 2.81 -0.20 -4.87 117.12 110.75 1je3 n MET 32 Ca 0.26 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.00 1je3 n MET 32 Cb 0.34 0.00 -0.13 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 2.13 0.52 -1.23 2.03 0.11 -1.26 -2.87 120.40 119.83 1je3 s VAL 33 Ca 0.00 -0.65 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 1je3 s VAL 33 Cb 0.00 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1je3 s VAL 33 CO 0.00 -0.11 1.92 0.61 -3.33 0.00 0.00 175.10 174.19 1je3 n GLY 34 N 2.23 2.59 3.86 6.54 0.00 -1.20 -4.85 105.19 114.36 1je3 n GLY 34 Ca -0.18 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 4.67 3.84 0.63 1.61 -1.05 -1.26 -4.68 118.70 122.46 1je3 s GLU 35 Ca 0.57 0.30 0.32 0.00 -0.15 0.00 0.00 54.97 56.00 1je3 s GLU 35 Cb 0.07 -2.93 1.78 0.00 -0.44 0.00 0.00 34.13 32.60 1je3 s GLU 35 CO 0.06 0.50 2.08 -1.35 0.95 0.00 0.00 175.26 177.51 1je3 h PRO 36 N 3.50 0.00 -6.88 -4.83 0.11 -2.01 -3.43 132.00 118.47 1je3 h PRO 36 Ca -0.49 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 1je3 h PRO 36 Cb 1.19 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.41 1je3 h PRO 36 CO 0.67 0.00 0.70 0.00 -0.21 0.00 0.00 178.00 179.15 1je3 n PRO 38 N 0.53 1.66 -0.06 0.00 -0.04 -1.26 -4.14 135.00 131.69 1je3 n PRO 38 Ca 0.02 -0.66 -0.14 0.00 -0.04 0.00 0.00 63.50 62.69 1je3 n PRO 38 Cb 0.38 -1.54 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 1je3 n PRO 38 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1je3 h TYR 39 N 0.66 -0.00 0.00 0.54 0.05 -1.91 -3.20 116.97 113.10 1je3 h TYR 39 Ca 0.04 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1je3 h TYR 39 Cb 1.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1je3 h TYR 39 CO 0.27 0.87 0.00 -2.30 -1.05 0.00 0.00 178.16 175.95 1je3 n PRO 40 N -4.67 0.00 0.00 4.88 -0.02 -1.26 -2.94 135.00 131.00 1je3 n PRO 40 Ca -0.09 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1je3 n PRO 40 Cb 0.42 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1je3 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1je3 n ALA 41 N -1.11 1.40 -0.33 3.55 0.00 -1.26 -3.34 120.51 119.42 1je3 n ALA 41 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 1je3 n ALA 41 Cb 0.00 -0.93 0.60 0.00 0.00 0.00 0.00 19.45 19.11 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 0.45 -0.14 0.00 3.04 -1.53 0.53 116.25 118.60 1je3 h VAL 42 Ca 0.00 -0.08 -0.21 0.00 -1.01 0.00 0.00 66.70 65.40 1je3 h VAL 42 Cb 0.00 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 29.47 1je3 h VAL 42 CO 0.00 0.04 -0.74 0.00 -1.01 0.00 0.00 177.57 175.87 1je3 h ALA 43 N 1.55 0.42 0.72 3.17 0.00 -1.81 -2.49 119.26 120.82 1je3 h ALA 43 Ca 0.60 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1je3 h ALA 43 Cb 1.83 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.59 1je3 h ALA 43 CO -0.22 0.71 -0.35 1.15 0.00 0.00 0.00 179.25 180.54 1je3 h THR 44 N 0.47 0.25 0.40 0.00 2.02 -0.26 0.70 112.91 116.50 1je3 h THR 44 Ca -0.04 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1je3 h THR 44 Cb 1.35 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1je3 h THR 44 CO 0.15 0.01 -0.19 -0.07 0.37 0.00 0.00 175.52 175.78 1je3 h LEU 45 N -1.04 -0.45 -1.68 2.58 3.38 -1.39 -2.54 115.31 114.16 1je3 h LEU 45 Ca -0.10 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.94 1je3 h LEU 45 Cb 0.76 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1je3 h LEU 45 CO 0.16 -0.26 0.39 1.05 0.09 0.00 0.00 178.44 179.86 1je3 h GLU 46 N -0.61 0.35 -0.48 1.13 4.11 -1.51 -2.25 114.58 115.32 1je3 h GLU 46 Ca -0.05 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.41 1je3 h GLU 46 Cb 0.45 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 1je3 h GLU 46 CO 0.09 0.23 -0.48 0.00 0.07 0.00 0.00 179.01 178.92 1je3 h ALA 47 N 1.71 -0.65 -2.73 1.06 0.00 -0.40 -3.24 119.26 115.00 1je3 h ALA 47 Ca 0.27 0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.70 1je3 h ALA 47 Cb 0.56 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1je3 h ALA 47 CO -0.07 -0.91 0.44 -1.64 0.00 0.00 0.00 179.25 177.07 1je3 s MET 48 N -5.22 4.68 -0.00 0.00 -1.94 -0.85 0.32 119.30 116.29 1je3 s MET 48 Ca -0.12 1.68 0.03 0.00 -1.71 0.00 0.00 55.69 55.58 1je3 s MET 48 Cb 0.08 -3.25 0.11 0.00 2.01 0.00 0.00 34.83 33.77 1je3 s MET 48 CO 0.52 0.25 1.04 -0.35 -0.01 0.00 0.00 175.02 176.47 1je3 n PRO 49 N 1.71 1.31 0.00 2.03 -0.04 -1.26 -4.89 135.00 133.86 1je3 n PRO 49 Ca -0.00 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1je3 n PRO 49 Cb 0.46 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1je3 n PRO 49 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1je3 n GLN 50 N -0.13 0.60 -1.18 0.54 7.27 0.94 -4.82 117.38 120.59 1je3 n GLN 50 Ca 0.04 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.81 1je3 n GLN 50 Cb 0.13 -1.19 0.24 0.00 2.41 0.00 0.00 30.24 31.83 1je3 n GLN 50 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1je3 s LEU 51 N -0.35 0.84 0.00 1.69 2.34 0.30 -4.86 118.68 118.64 1je3 s LEU 51 Ca 0.00 0.49 0.00 0.00 0.06 0.00 0.00 54.13 54.68 1je3 s LEU 51 Cb 0.00 -2.18 0.00 0.00 -0.56 0.00 0.00 46.19 43.45 1je3 s LEU 51 CO 0.00 -4.11 0.00 0.29 -1.06 0.00 0.00 176.35 171.47 1je3 n LYS 52 N -4.73 2.65 -2.66 1.48 5.02 -1.26 -5.05 118.16 113.61 1je3 n LYS 52 Ca 0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1je3 n LYS 52 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 4.40 0.00 1.97 5.02 -1.26 -4.82 118.16 123.48 1je3 n LYS 53 Ca 0.00 -4.62 0.00 0.00 -2.02 0.00 0.00 58.31 51.67 1je3 n LYS 53 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 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 -0.19 1.80 1.16 0.72 0.00 -1.26 -5.09 105.19 102.33 1je3 n GLY 54 Ca 0.42 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1je3 n GLY 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1je3 n GLU 55 N 0.00 1.30 -3.53 1.61 0.28 -1.26 -4.87 120.64 114.16 1je3 n GLU 55 Ca 0.00 -1.19 -0.11 0.00 -0.16 0.00 0.00 57.16 55.71 1je3 n GLU 55 Cb 0.00 0.44 -0.02 0.00 1.43 0.00 0.00 31.44 33.29 1je3 n GLU 55 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1je3 s ILE 56 N -1.77 0.00 0.11 3.84 1.01 -1.26 -0.77 121.20 122.36 1je3 s ILE 56 Ca 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1je3 s ILE 56 Cb 0.00 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1je3 s ILE 56 CO 0.02 0.00 0.15 -0.22 0.00 0.00 0.00 174.94 174.89 1je3 s LEU 57 N -2.78 1.56 -0.09 2.97 2.96 0.91 0.28 118.68 124.48 1je3 s LEU 57 Ca 0.04 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 52.93 1je3 s LEU 57 Cb -0.02 0.76 0.03 0.00 0.50 0.00 0.00 46.19 47.45 1je3 s LEU 57 CO -0.08 -0.76 0.28 -1.61 -1.32 0.00 0.00 176.35 172.86 1je3 s GLU 58 N -3.95 0.37 -0.03 1.98 2.02 0.22 -2.98 118.70 116.33 1je3 s GLU 58 Ca 0.14 0.28 -0.01 0.00 0.02 0.00 0.00 54.97 55.40 1je3 s GLU 58 Cb 0.06 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.49 1je3 s GLU 58 CO -0.04 -0.06 0.07 0.08 0.02 0.00 0.00 175.26 175.32 1je3 s VAL 59 N -0.09 -0.05 -0.47 2.63 1.01 0.15 -0.60 120.40 122.97 1je3 s VAL 59 Ca -0.02 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1je3 s VAL 59 Cb -0.03 -0.13 0.16 0.00 0.00 0.00 0.00 36.38 36.38 1je3 s VAL 59 CO 0.01 0.08 0.32 -0.69 0.00 0.00 0.00 175.10 174.82 1je3 s VAL 60 N 0.99 1.12 0.32 2.92 1.01 0.86 -0.66 120.40 126.96 1je3 s VAL 60 Ca -0.08 -2.82 0.06 0.00 0.00 0.00 0.00 61.98 59.14 1je3 s VAL 60 Cb -0.11 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 1je3 s VAL 60 CO -0.04 -1.06 -0.02 -0.94 0.00 0.00 0.00 175.10 173.04 1je3 s SER 61 N -0.02 2.96 -0.06 3.32 1.04 -1.09 -1.03 113.70 118.81 1je3 s SER 61 Ca 0.25 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.46 1je3 s SER 61 Cb -0.09 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1je3 s SER 61 CO -0.11 -0.41 -0.22 1.51 0.98 0.00 0.00 173.24 174.99 1je3 s ASP 62 N -3.52 3.33 -0.19 7.02 -4.77 -1.14 -2.53 116.67 114.88 1je3 s ASP 62 Ca 0.32 -0.44 -0.26 0.00 -3.30 0.00 0.00 52.55 48.88 1je3 s ASP 62 Cb 0.06 -0.90 0.07 0.00 -1.09 0.00 0.00 42.92 41.06 1je3 s ASP 62 CO 0.14 0.26 0.68 0.00 0.70 0.00 0.00 175.17 176.95 1je3 n PRO 64 N 2.12 0.06 -0.31 0.00 -0.02 -1.26 -4.76 135.00 130.82 1je3 n PRO 64 Ca -0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1je3 n PRO 64 Cb 0.56 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1je3 n PRO 64 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1je3 n GLN 65 N -1.71 1.52 -0.00 -0.52 1.13 -1.26 -5.05 117.38 111.48 1je3 n GLN 65 Ca 0.03 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.13 1je3 n GLN 65 Cb 0.20 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.50 1je3 n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1je3 n SER 66 N -1.44 2.49 -4.48 1.08 7.64 -1.26 -5.02 113.62 112.63 1je3 n SER 66 Ca 0.00 -0.17 -0.27 0.00 1.01 0.00 0.00 58.87 59.44 1je3 n SER 66 Cb 0.00 1.27 -0.11 0.00 -1.01 0.00 0.00 64.21 64.36 1je3 n SER 66 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1je3 s ILE 67 N -2.35 2.68 0.45 0.44 1.10 -1.26 -5.12 121.20 117.14 1je3 s ILE 67 Ca -0.01 -1.83 0.03 0.00 -0.51 0.00 0.00 60.65 58.33 1je3 s ILE 67 Cb 0.05 -2.29 -0.02 0.00 0.15 0.00 0.00 42.46 40.35 1je3 s ILE 67 CO 0.33 -0.07 0.08 0.20 -2.11 0.00 0.00 174.94 173.36 1je3 s ASN 68 N -2.62 3.34 0.07 4.50 0.02 -1.26 -5.03 114.94 113.96 1je3 s ASN 68 Ca 0.21 -1.65 -0.16 0.00 -1.02 0.00 0.00 52.86 50.24 1je3 s ASN 68 Cb -0.09 0.48 -0.15 0.00 0.02 0.00 0.00 41.25 41.51 1je3 s ASN 68 CO 0.11 -0.88 1.29 0.78 0.02 0.00 0.00 177.10 178.42 1je3 h ASN 69 N 1.62 0.73 -0.02 -1.22 -0.26 -1.83 -2.62 115.58 111.98 1je3 h ASN 69 Ca -0.39 -0.60 0.00 0.00 -0.56 0.00 0.00 56.30 54.75 1je3 h ASN 69 Cb 1.29 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1je3 h ASN 69 CO 0.64 1.21 0.01 0.40 -1.06 0.00 0.00 177.43 178.63 1je3 h ILE 70 N 0.29 1.01 -0.36 2.81 1.08 -1.93 0.80 117.51 121.20 1je3 h ILE 70 Ca -0.02 -0.01 -0.08 0.00 -0.39 0.00 0.00 64.86 64.36 1je3 h ILE 70 Cb 1.15 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1je3 h ILE 70 CO 0.11 0.01 -0.08 1.55 -0.69 0.00 0.00 178.15 179.05 1je3 h PRO 71 N 0.02 0.68 -0.18 2.37 0.13 -1.99 -2.91 132.00 130.12 1je3 h PRO 71 Ca 0.01 -0.26 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1je3 h PRO 71 Cb -0.00 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 1je3 h PRO 71 CO -0.00 0.84 -0.15 1.25 -0.23 0.00 0.00 178.00 179.71 1je3 h LEU 72 N 0.48 0.28 0.61 1.56 6.46 -1.40 -0.94 115.31 122.36 1je3 h LEU 72 Ca 0.09 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1je3 h LEU 72 Cb 0.58 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1je3 h LEU 72 CO 0.03 0.46 -0.30 0.44 -0.62 0.00 0.00 178.44 178.46 1je3 h ASP 73 N 0.28 -0.70 -0.86 1.25 5.19 -0.72 -0.46 116.42 120.40 1je3 h ASP 73 Ca 0.05 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1je3 h ASP 73 Cb 0.43 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.08 1je3 h ASP 73 CO 0.03 -0.37 0.47 0.00 -3.12 0.00 0.00 179.24 176.24 1je3 h ALA 74 N -0.79 1.19 -0.19 3.45 0.00 -1.47 -1.80 119.26 119.65 1je3 h ALA 74 Ca -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1je3 h ALA 74 Cb 0.68 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1je3 h ALA 74 CO 0.14 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 180.02 1je3 h ARG 75 N 1.21 0.27 0.19 0.00 3.08 -1.13 0.22 114.38 118.23 1je3 h ARG 75 Ca 0.30 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1je3 h ARG 75 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1je3 h ARG 75 CO -0.05 0.31 -0.09 -0.97 -1.07 0.00 0.00 179.97 178.10 1je3 h ASN 76 N 0.27 -0.22 -0.29 7.04 -1.24 -0.18 -3.16 115.58 117.80 1je3 h ASN 76 Ca 0.06 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1je3 h ASN 76 Cb 0.21 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 1je3 h ASN 76 CO 0.01 -0.15 0.17 0.45 -1.29 0.00 0.00 177.43 176.61 1je3 h HIS 77 N -0.28 0.41 -0.88 0.67 3.86 -1.52 -3.48 115.15 113.94 1je3 h HIS 77 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1je3 h HIS 77 Cb 0.20 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1je3 h HIS 77 CO 0.16 0.30 0.00 0.41 0.86 0.00 0.00 177.93 179.66 1je3 n GLY 78 N -1.37 -0.85 0.00 2.45 0.00 0.76 -5.12 105.19 101.05 1je3 n GLY 78 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.36 -2.85 0.02 1.61 4.19 -1.08 -5.01 117.16 114.39 1je3 n TYR 79 Ca 0.00 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.19 1je3 n TYR 79 Cb 0.00 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 39.82 1je3 n TYR 79 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 1je3 h THR 80 N -0.22 0.00 -3.61 2.97 2.02 -1.94 -3.47 112.91 108.65 1je3 h THR 80 Ca 0.00 -0.65 -0.54 0.00 0.77 0.00 0.00 66.41 65.99 1je3 h THR 80 Cb 0.00 0.00 -0.32 0.00 -1.74 0.00 0.00 68.15 66.09 1je3 h THR 80 CO 0.00 0.00 -0.82 -0.69 0.37 0.00 0.00 175.52 174.38 1je3 s VAL 81 N -1.94 1.27 -0.30 3.16 1.01 -0.72 -5.02 120.40 117.86 1je3 s VAL 81 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1je3 s VAL 81 Cb 0.00 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.35 1je3 s VAL 81 CO 0.06 0.38 0.10 -0.76 0.00 0.00 0.00 175.10 174.88 1je3 s LEU 82 N 0.38 1.94 0.20 3.92 2.01 -1.26 -2.50 118.68 123.37 1je3 s LEU 82 Ca -0.10 -1.56 0.10 0.00 0.01 0.00 0.00 54.13 52.57 1je3 s LEU 82 Cb -0.14 -0.78 -0.04 0.00 0.01 0.00 0.00 46.19 45.24 1je3 s LEU 82 CO 0.03 -0.42 -0.19 -0.62 1.01 0.00 0.00 176.35 176.17 1je3 s ASP 83 N 1.70 2.97 0.28 2.29 -1.08 -0.60 -5.03 116.67 117.20 1je3 s ASP 83 Ca 0.09 -0.93 0.01 0.00 -0.52 0.00 0.00 52.55 51.21 1je3 s ASP 83 Cb -0.17 -0.20 -0.03 0.00 -1.46 0.00 0.00 42.92 41.07 1je3 s ASP 83 CO -0.27 -0.02 0.27 0.27 0.52 0.00 0.00 175.17 175.95 1je3 s ILE 84 N -2.25 0.00 0.22 4.11 -0.00 -1.26 -1.08 121.20 120.93 1je3 s ILE 84 Ca 0.21 -1.89 -0.15 0.00 -0.00 0.00 0.00 60.65 58.81 1je3 s ILE 84 Cb -0.05 -2.50 0.01 0.00 -0.00 0.00 0.00 42.46 39.92 1je3 s ILE 84 CO 0.09 0.00 0.50 -1.10 -0.00 0.00 0.00 174.94 174.43 1je3 s GLN 85 N -3.67 1.45 -0.03 0.37 -0.21 0.56 -4.96 119.66 113.17 1je3 s GLN 85 Ca 0.37 -1.03 -0.08 0.00 0.02 0.00 0.00 55.36 54.64 1je3 s GLN 85 Cb 0.03 0.50 0.01 0.00 1.00 0.00 0.00 33.01 34.55 1je3 s GLN 85 CO 0.20 -0.61 0.18 -1.14 -2.12 0.00 0.00 175.29 171.79 1je3 s GLN 86 N -3.93 0.38 0.00 2.91 0.74 -1.26 -2.17 119.66 116.33 1je3 s GLN 86 Ca 0.14 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.47 1je3 s GLN 86 Cb -0.01 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.27 1je3 s GLN 86 CO 0.02 -0.08 0.00 -3.47 -0.55 0.00 0.00 175.29 171.21 1je3 n ASP 87 N 2.12 0.00 0.00 6.67 -0.08 -1.21 -5.01 116.55 119.05 1je3 n ASP 87 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1je3 n ASP 87 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1je3 n GLY 88 N 4.19 1.40 0.19 0.27 0.00 -1.26 -4.94 105.19 105.05 1je3 n GLY 88 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 1.25 -4.28 1.61 -0.04 -1.26 -4.86 135.00 127.41 1je3 n PRO 89 Ca 0.00 -0.38 -0.17 0.00 -0.04 0.00 0.00 63.50 62.91 1je3 n PRO 89 Cb 0.00 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.91 0.15 -0.04 0.52 -4.23 -1.26 -4.77 115.64 104.10 1je3 s THR 90 Ca 0.23 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1je3 s THR 90 Cb 0.11 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1je3 s THR 90 CO 0.18 0.00 0.17 -0.51 -0.54 0.00 0.00 174.62 173.92 1je3 s ILE 91 N -3.72 0.03 -0.03 2.99 2.07 -1.05 -3.32 121.20 118.18 1je3 s ILE 91 Ca 0.38 -0.28 0.06 0.00 -1.41 0.00 0.00 60.65 59.40 1je3 s ILE 91 Cb 0.05 -0.34 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 1je3 s ILE 91 CO 0.19 -0.16 -0.21 -0.60 -1.91 0.00 0.00 174.94 172.25 1je3 s ARG 92 N -0.53 1.86 0.10 3.50 3.52 -0.92 -2.68 118.95 123.80 1je3 s ARG 92 Ca -0.06 -0.75 0.09 0.00 -0.13 0.00 0.00 55.73 54.87 1je3 s ARG 92 Cb -0.04 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.60 1je3 s ARG 92 CO 0.01 0.41 -0.22 0.71 -0.81 0.00 0.00 175.30 175.39 1je3 s TYR 93 N -0.35 1.91 -0.20 5.12 1.51 0.17 -0.32 117.35 125.19 1je3 s TYR 93 Ca 0.04 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 1je3 s TYR 93 Cb -0.10 -1.05 0.05 0.00 -0.11 0.00 0.00 41.96 40.75 1je3 s TYR 93 CO 0.00 0.22 0.52 -0.48 -1.11 0.00 0.00 175.55 174.70 1je3 s LEU 94 N -1.87 -0.04 0.19 -1.29 2.34 -0.24 0.31 118.68 118.08 1je3 s LEU 94 Ca 0.08 1.05 0.06 0.00 0.06 0.00 0.00 54.13 55.38 1je3 s LEU 94 Cb -0.10 1.77 -0.05 0.00 -0.56 0.00 0.00 46.19 47.25 1je3 s LEU 94 CO 0.04 -0.18 -0.10 0.27 -1.06 0.00 0.00 176.35 175.32 1je3 s ILE 95 N 0.47 1.38 -0.08 1.48 -5.25 -1.16 -1.56 121.20 116.48 1je3 s ILE 95 Ca -0.02 -2.11 -0.17 0.00 -0.99 0.00 0.00 60.65 57.36 1je3 s ILE 95 Cb -0.04 -2.05 0.04 0.00 2.95 0.00 0.00 42.46 43.36 1je3 s ILE 95 CO -0.02 -0.59 0.41 0.00 -1.79 0.00 0.00 174.94 172.96 1je3 s GLN 96 N -3.73 0.65 0.00 0.37 -2.07 -1.04 -0.06 119.66 113.78 1je3 s GLN 96 Ca 0.22 0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.97 1je3 s GLN 96 Cb 0.02 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 1je3 s GLN 96 CO 0.05 -0.15 0.42 1.17 -1.32 0.00 0.00 175.29 175.46