#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 1.68 -0.22 3.17 0.00 -1.26 -4.99 107.32 105.69 1je3 s GLY 2 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1je3 s GLY 2 CO 0.00 0.79 -0.20 -1.26 0.00 0.00 0.00 173.10 172.43 1je3 n SER 3 N -3.90 2.26 0.00 1.64 2.88 -1.26 -4.91 113.62 110.33 1je3 n SER 3 Ca 0.10 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1je3 n SER 3 Cb 0.53 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1je3 n SER 3 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1je3 n SER 4 N -3.16 0.00 -0.62 -3.46 7.64 -1.26 -4.96 113.62 107.80 1je3 n SER 4 Ca -0.40 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.54 1je3 n SER 4 Cb 0.92 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 64.21 1je3 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1je3 n HIS 5 N -1.38 0.00 -0.66 1.43 -0.00 -1.26 -4.83 115.22 108.52 1je3 n HIS 5 Ca 0.00 -0.74 -0.12 0.00 -0.00 0.00 0.00 57.72 56.86 1je3 n HIS 5 Cb 0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 29.99 29.88 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 -0.55 1.18 -3.16 -1.40 8.25 -1.26 -4.91 115.22 113.37 1je3 n HIS 6 Ca 0.10 -1.64 -0.39 0.00 -0.26 0.00 0.00 57.72 55.53 1je3 n HIS 6 Cb 0.78 -0.80 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 1je3 n HIS 6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1je3 s HIS 7 N -1.38 3.78 0.14 4.41 3.76 -1.26 -4.14 115.29 120.60 1je3 s HIS 7 Ca 0.23 1.35 -0.30 0.00 -0.15 0.00 0.00 55.06 56.19 1je3 s HIS 7 Cb 0.19 -2.63 -0.07 0.00 1.11 0.00 0.00 32.58 31.18 1je3 s HIS 7 CO 0.00 0.46 1.25 -1.58 -0.85 0.00 0.00 174.74 174.02 1je3 s HIS 8 N -0.70 3.37 0.24 1.40 2.46 -1.26 -5.04 115.29 115.77 1je3 s HIS 8 Ca 0.32 1.28 0.03 0.00 0.47 0.00 0.00 55.06 57.16 1je3 s HIS 8 Cb -0.20 -3.50 0.03 0.00 -0.13 0.00 0.00 32.58 28.78 1je3 s HIS 8 CO 0.20 -1.53 0.25 -2.39 -2.47 0.00 0.00 174.74 168.80 1je3 n HIS 9 N 3.20 -1.74 0.00 3.88 -0.00 -1.26 -5.10 115.22 114.20 1je3 n HIS 9 Ca 0.07 -0.97 0.00 0.00 -0.00 0.00 0.00 57.72 56.82 1je3 n HIS 9 Cb 0.44 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1je3 n HIS 9 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1je3 n HIS 10 N -1.26 0.00 -0.09 -1.40 -0.00 -1.26 -4.96 115.22 106.25 1je3 n HIS 10 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1je3 n HIS 10 Cb 0.27 0.29 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1je3 n HIS 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1je3 n SER 11 N -2.02 1.72 -4.76 0.26 3.41 -1.26 -5.05 113.62 105.92 1je3 n SER 11 Ca 0.00 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.39 1je3 n SER 11 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1je3 n SER 11 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1je3 s SER 12 N -0.81 6.75 -0.21 4.04 0.01 -1.26 -4.92 113.70 117.31 1je3 s SER 12 Ca 0.00 2.67 0.09 0.00 1.31 0.00 0.00 55.95 60.01 1je3 s SER 12 Cb 0.00 -2.64 0.58 0.00 0.21 0.00 0.00 66.02 64.17 1je3 s SER 12 CO 0.00 -0.57 1.47 0.61 0.41 0.00 0.00 173.24 175.16 1je3 n GLY 13 N 1.18 2.86 0.07 3.44 0.00 -1.26 -4.01 105.19 107.47 1je3 n GLY 13 Ca 0.02 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.42 1je3 n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1je3 n LEU 14 N 0.20 0.44 -4.15 0.99 -0.00 -1.26 -4.77 117.00 108.45 1je3 n LEU 14 Ca 0.26 0.18 -0.36 0.00 -0.00 0.00 0.00 56.01 56.08 1je3 n LEU 14 Cb 1.04 0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 44.35 1je3 n LEU 14 CO 0.28 -0.03 -0.24 -0.69 -0.00 0.00 0.00 177.39 176.72 1je3 s VAL 15 N -3.33 3.21 1.11 1.96 1.01 -1.26 -5.11 120.40 118.00 1je3 s VAL 15 Ca -0.05 -1.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.02 1je3 s VAL 15 Cb 0.11 -3.06 0.25 0.00 0.00 0.00 0.00 36.38 33.68 1je3 s VAL 15 CO 0.85 -0.46 1.06 -2.16 0.00 0.00 0.00 175.10 174.38 1je3 s PRO 16 N 1.19 -0.49 0.74 2.72 0.04 -1.26 -5.01 135.00 132.93 1je3 s PRO 16 Ca 0.03 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.53 1je3 s PRO 16 Cb -0.21 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.74 1je3 s PRO 16 CO -0.03 -3.36 1.08 0.50 0.04 0.00 0.00 177.00 175.23 1je3 s ARG 17 N -4.78 2.52 0.75 4.56 3.52 -1.26 -5.00 118.95 119.26 1je3 s ARG 17 Ca 0.67 1.10 -0.13 0.00 -0.13 0.00 0.00 55.73 57.24 1je3 s ARG 17 Cb -0.21 -1.93 0.05 0.00 -1.56 0.00 0.00 34.95 31.30 1je3 s ARG 17 CO 0.61 -1.43 1.15 0.20 -0.81 0.00 0.00 175.30 175.01 1je3 s GLY 18 N -3.51 2.07 -0.27 8.12 0.00 -1.26 -5.03 107.32 107.44 1je3 s GLY 18 Ca 0.60 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.95 1je3 s GLY 18 CO 0.55 1.03 0.06 -0.56 0.00 0.00 0.00 173.10 174.17 1je3 s SER 19 N -2.51 3.76 -0.10 1.64 0.01 -1.26 -4.95 113.70 110.29 1je3 s SER 19 Ca 0.69 -1.39 0.14 0.00 1.31 0.00 0.00 55.95 56.70 1je3 s SER 19 Cb -0.24 -0.88 0.30 0.00 0.21 0.00 0.00 66.02 65.42 1je3 s SER 19 CO 0.48 -0.36 1.14 1.57 0.41 0.00 0.00 173.24 176.48 1je3 n HIS 20 N 4.85 0.00 -2.89 2.43 -0.00 -1.26 -5.07 115.22 113.28 1je3 n HIS 20 Ca -0.05 -0.82 -0.01 0.00 -0.00 0.00 0.00 57.72 56.84 1je3 n HIS 20 Cb 0.44 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1je3 n MET 21 N -0.60 0.93 -3.83 1.57 2.81 -1.26 -5.12 117.12 111.61 1je3 n MET 21 Ca 0.11 -0.10 -0.27 0.00 -1.81 0.00 0.00 57.70 55.64 1je3 n MET 21 Cb 0.78 -0.01 -0.17 0.00 -0.71 0.00 0.00 33.22 33.12 1je3 n MET 21 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1je3 s LYS 22 N -2.14 1.07 0.57 0.03 1.02 -1.26 -5.14 119.74 113.90 1je3 s LYS 22 Ca 0.02 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.62 1je3 s LYS 22 Cb -0.00 -1.74 0.13 0.00 -0.52 0.00 0.00 37.83 35.69 1je3 s LYS 22 CO 0.01 -0.43 0.78 0.09 -0.92 0.00 0.00 175.35 174.88 1je3 n ASN 23 N 4.99 0.40 0.00 2.83 4.13 -1.26 -5.03 115.26 121.32 1je3 n ASN 23 Ca -0.10 -1.49 0.00 0.00 1.68 0.00 0.00 54.58 54.67 1je3 n ASN 23 Cb 0.48 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 1je3 n ASN 23 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1je3 n ILE 24 N -2.85 0.00 -3.91 2.41 -5.35 -1.26 -5.05 119.36 103.36 1je3 n ILE 24 Ca 0.11 -0.37 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 1je3 n ILE 24 Cb 0.38 1.21 -0.13 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.13 0.04 0.00 7.28 -7.23 -1.26 -4.82 120.40 114.27 1je3 s VAL 25 Ca 0.00 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1je3 s VAL 25 Cb 0.00 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.83 1je3 s VAL 25 CO 0.00 -0.18 0.49 -2.65 -0.31 0.00 0.00 175.10 172.46 1je3 n PRO 26 N 2.54 0.00 -3.60 4.82 -0.02 -1.26 -4.93 135.00 132.54 1je3 n PRO 26 Ca -0.16 0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.07 1je3 n PRO 26 Cb 0.58 -0.99 0.02 0.00 -0.02 0.00 0.00 33.50 33.09 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 -0.54 -5.37 -4.89 2.55 5.75 0.28 -4.89 116.55 109.42 1je3 n ASP 27 Ca 0.00 -0.50 -0.21 0.00 -0.01 0.00 0.00 54.79 54.07 1je3 n ASP 27 Cb 0.00 -1.93 -0.03 0.00 -1.03 0.00 0.00 41.12 38.13 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 -2.26 3.16 0.03 2.11 1.51 -1.19 -4.87 117.35 115.84 1je3 s TYR 28 Ca 0.19 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1je3 s TYR 28 Cb -0.02 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 1je3 s TYR 28 CO 0.88 0.35 -0.09 -0.98 -1.11 0.00 0.00 175.55 174.60 1je3 s ARG 29 N -3.96 0.59 -0.39 -0.62 1.70 -1.23 0.11 118.95 115.16 1je3 s ARG 29 Ca 0.37 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 55.02 1je3 s ARG 29 Cb -0.08 -0.48 0.13 0.00 -0.57 0.00 0.00 34.95 33.96 1je3 s ARG 29 CO 0.27 0.11 0.21 -1.17 -1.08 0.00 0.00 175.30 173.64 1je3 s LEU 30 N -1.10 1.90 -0.96 -1.89 0.20 -1.04 -4.81 118.68 110.98 1je3 s LEU 30 Ca -0.04 -2.32 -0.01 0.00 0.69 0.00 0.00 54.13 52.45 1je3 s LEU 30 Cb -0.07 -0.74 0.33 0.00 -0.43 0.00 0.00 46.19 45.27 1je3 s LEU 30 CO 0.00 -0.30 1.78 -0.67 -0.29 0.00 0.00 176.35 176.87 1je3 n ASP 31 N 3.92 7.14 0.00 3.68 2.03 -1.23 -0.12 116.55 131.97 1je3 n ASP 31 Ca 0.08 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.68 1je3 n ASP 31 Cb 0.36 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1je3 n MET 32 N -0.14 0.00 -4.23 -0.67 2.81 -0.68 -4.92 117.12 109.29 1je3 n MET 32 Ca 0.47 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.23 1je3 n MET 32 Cb 0.27 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.68 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 2.05 0.60 -1.15 2.03 0.11 -1.26 -3.08 120.40 119.71 1je3 s VAL 33 Ca 0.00 -1.97 -0.10 0.00 -2.93 0.00 0.00 61.98 56.98 1je3 s VAL 33 Cb 0.00 -2.09 0.25 0.00 -1.53 0.00 0.00 36.38 33.01 1je3 s VAL 33 CO 0.00 -0.50 1.27 0.61 -3.33 0.00 0.00 175.10 173.15 1je3 n GLY 34 N -0.21 4.04 3.95 6.54 0.00 -1.21 -4.85 105.19 113.46 1je3 n GLY 34 Ca -0.07 -2.40 -0.21 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.47 3.32 0.08 1.61 -1.05 -1.26 -4.62 118.70 116.32 1je3 s GLU 35 Ca 0.35 -0.84 0.15 0.00 -0.15 0.00 0.00 54.97 54.48 1je3 s GLU 35 Cb -0.06 -2.84 0.66 0.00 -0.44 0.00 0.00 34.13 31.46 1je3 s GLU 35 CO -0.04 0.37 1.48 -2.30 0.95 0.00 0.00 175.26 175.72 1je3 n PRO 36 N -1.42 0.06 -3.60 -4.83 -0.02 -1.26 -3.82 135.00 120.11 1je3 n PRO 36 Ca -0.07 0.34 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1je3 n PRO 36 Cb 0.57 -1.62 -0.09 0.00 -0.02 0.00 0.00 33.50 32.34 1je3 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1je3 n PRO 38 N 1.32 0.57 0.07 0.00 -0.04 -1.25 -5.09 135.00 130.58 1je3 n PRO 38 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1je3 n PRO 38 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 1je3 n PRO 38 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1je3 n TYR 39 N -1.43 -1.34 0.15 0.54 9.36 -1.26 -4.88 117.16 118.31 1je3 n TYR 39 Ca 0.00 0.24 0.03 0.00 3.32 0.00 0.00 57.90 61.49 1je3 n TYR 39 Cb 0.00 0.57 0.39 0.00 -0.63 0.00 0.00 39.34 39.67 1je3 n TYR 39 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1je3 h PRO 40 N 0.00 0.14 0.00 2.98 0.11 -1.99 -1.59 132.00 131.65 1je3 h PRO 40 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1je3 h PRO 40 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1je3 h PRO 40 CO 0.00 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 1je3 h ALA 41 N 1.65 1.00 -0.18 -0.75 0.00 -1.90 -0.55 119.26 118.53 1je3 h ALA 41 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1je3 h ALA 41 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1je3 h ALA 41 CO 0.03 0.00 0.16 0.28 0.00 0.00 0.00 179.25 179.72 1je3 h VAL 42 N 0.00 0.69 -0.02 0.00 2.07 -1.62 0.41 116.25 117.78 1je3 h VAL 42 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1je3 h VAL 42 Cb 0.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1je3 h VAL 42 CO 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 177.57 176.90 1je3 h ALA 43 N 1.86 0.81 0.03 1.67 0.00 -1.26 -2.93 119.26 119.44 1je3 h ALA 43 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1je3 h ALA 43 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1je3 h ALA 43 CO -0.00 0.83 -0.10 1.15 0.00 0.00 0.00 179.25 181.13 1je3 h THR 44 N 0.07 0.00 -0.63 0.00 2.02 -0.26 0.74 112.91 114.85 1je3 h THR 44 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1je3 h THR 44 Cb 1.23 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1je3 h THR 44 CO 0.10 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 176.27 1je3 h LEU 45 N -0.15 0.78 -1.90 2.58 3.38 -1.67 -1.44 115.31 116.89 1je3 h LEU 45 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1je3 h LEU 45 Cb 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1je3 h LEU 45 CO -0.05 0.64 0.00 -0.08 0.09 0.00 0.00 178.44 179.04 1je3 h GLU 46 N 0.85 0.00 -0.19 1.13 4.81 -1.38 -2.47 114.58 117.33 1je3 h GLU 46 Ca 0.22 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.26 1je3 h GLU 46 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1je3 h GLU 46 CO -0.04 0.00 -0.65 0.00 -0.73 0.00 0.00 179.01 177.60 1je3 h ALA 47 N 2.04 0.51 -0.53 2.92 0.00 0.16 -3.17 119.26 121.18 1je3 h ALA 47 Ca 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.45 1je3 h ALA 47 Cb 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 1je3 h ALA 47 CO 0.00 0.70 -0.37 0.52 0.00 0.00 0.00 179.25 180.10 1je3 h MET 48 N 0.50 -0.21 0.47 0.00 2.86 -1.39 0.81 114.93 117.96 1je3 h MET 48 Ca -0.01 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1je3 h MET 48 Cb 1.24 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1je3 h MET 48 CO 0.13 -0.14 -0.22 -1.00 1.06 0.00 0.00 176.91 176.74 1je3 h PRO 49 N -0.22 -0.60 -0.56 -0.22 0.13 -1.73 -2.93 132.00 125.87 1je3 h PRO 49 Ca 0.20 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1je3 h PRO 49 Cb 0.56 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1je3 h PRO 49 CO -0.64 -0.30 0.00 0.00 -0.23 0.00 0.00 178.00 176.83 1je3 n GLN 50 N -5.24 0.68 -1.30 0.86 10.64 -1.06 -4.91 117.38 117.05 1je3 n GLN 50 Ca -0.10 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.69 1je3 n GLN 50 Cb 0.30 -1.28 0.03 0.00 -0.86 0.00 0.00 30.24 28.44 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1je3 n LEU 51 N 0.04 -1.77 0.00 2.61 -0.00 0.28 -4.97 117.00 113.19 1je3 n LEU 51 Ca 0.00 0.64 -0.26 0.00 -0.00 0.00 0.00 56.01 56.39 1je3 n LEU 51 Cb 0.14 -1.00 -0.07 0.00 -0.00 0.00 0.00 43.42 42.49 1je3 n LEU 51 CO 0.00 -4.09 -0.17 0.29 -0.00 0.00 0.00 177.39 173.43 1je3 n LYS 52 N 0.75 0.58 -1.85 1.47 5.02 -1.26 -5.05 118.16 117.82 1je3 n LYS 52 Ca 0.09 -3.50 -0.40 0.00 -2.02 0.00 0.00 58.31 52.48 1je3 n LYS 52 Cb 0.48 1.86 -0.01 0.00 -0.02 0.00 0.00 35.03 37.35 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 -0.94 4.19 0.00 1.97 5.02 -1.26 -3.90 118.16 123.24 1je3 n LYS 53 Ca -0.06 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 1je3 n LYS 53 Cb 0.62 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 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 2.40 0.00 3.75 0.72 0.00 -1.26 -5.11 105.19 105.69 1je3 n GLY 54 Ca 0.63 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.30 1je3 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1je3 s GLU 55 N 0.00 2.91 0.07 1.61 2.12 -1.25 -4.61 118.70 119.55 1je3 s GLU 55 Ca 0.00 1.80 -0.19 0.00 0.36 0.00 0.00 54.97 56.95 1je3 s GLU 55 Cb 0.00 -1.92 0.04 0.00 0.26 0.00 0.00 34.13 32.51 1je3 s GLU 55 CO 0.00 -1.24 0.43 0.42 -0.54 0.00 0.00 175.26 174.33 1je3 s ILE 56 N -1.65 0.05 0.10 -3.70 1.01 -1.26 -0.27 121.20 115.48 1je3 s ILE 56 Ca 0.77 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 1je3 s ILE 56 Cb -0.30 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 1je3 s ILE 56 CO 0.34 -0.24 0.20 -0.22 0.00 0.00 0.00 174.94 175.02 1je3 s LEU 57 N -2.21 1.38 -0.14 2.97 2.96 0.88 0.10 118.68 124.62 1je3 s LEU 57 Ca -0.03 -0.71 -0.13 0.00 -0.22 0.00 0.00 54.13 53.04 1je3 s LEU 57 Cb -0.00 1.03 0.04 0.00 0.50 0.00 0.00 46.19 47.75 1je3 s LEU 57 CO -0.05 -0.75 0.38 -1.61 -1.32 0.00 0.00 176.35 172.99 1je3 s GLU 58 N -3.89 0.44 0.01 1.98 2.02 0.31 -3.18 118.70 116.40 1je3 s GLU 58 Ca 0.08 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1je3 s GLU 58 Cb 0.05 0.22 -0.01 0.00 0.10 0.00 0.00 34.13 34.48 1je3 s GLU 58 CO -0.09 -0.05 -0.02 0.08 0.02 0.00 0.00 175.26 175.20 1je3 s VAL 59 N 0.19 0.06 -0.32 2.63 1.01 0.24 -2.49 120.40 121.73 1je3 s VAL 59 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1je3 s VAL 59 Cb -0.03 -0.13 0.16 0.00 0.00 0.00 0.00 36.38 36.39 1je3 s VAL 59 CO 0.01 -0.21 0.44 0.68 0.00 0.00 0.00 175.10 176.01 1je3 s VAL 60 N -0.64 -0.64 0.36 2.92 -7.23 0.83 -2.11 120.40 113.89 1je3 s VAL 60 Ca -0.07 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 1je3 s VAL 60 Cb -0.04 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 36.08 1je3 s VAL 60 CO -0.00 -0.29 0.56 -0.44 -0.31 0.00 0.00 175.10 174.62 1je3 s SER 61 N 2.30 0.77 -0.05 4.85 0.01 -0.75 -1.68 113.70 119.14 1je3 s SER 61 Ca 0.12 -1.44 0.06 0.00 1.31 0.00 0.00 55.95 55.99 1je3 s SER 61 Cb -0.12 0.72 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 1je3 s SER 61 CO -0.23 -1.42 -0.22 1.51 0.41 0.00 0.00 173.24 173.28 1je3 s ASP 62 N -3.21 3.32 -0.26 2.44 1.47 -1.18 -1.52 116.67 117.73 1je3 s ASP 62 Ca 0.27 -0.42 -0.24 0.00 1.18 0.00 0.00 52.55 53.34 1je3 s ASP 62 Cb -0.02 -0.71 0.07 0.00 -0.34 0.00 0.00 42.92 41.92 1je3 s ASP 62 CO 0.19 0.29 0.70 0.00 0.68 0.00 0.00 175.17 177.03 1je3 n PRO 64 N 2.78 0.11 -0.06 0.00 -0.02 -1.26 -4.73 135.00 131.82 1je3 n PRO 64 Ca -0.14 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1je3 n PRO 64 Cb 0.55 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.96 2.37 0.00 -0.52 6.02 -1.26 -5.04 117.38 116.99 1je3 n GLN 65 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.04 1je3 n GLN 65 Cb 0.17 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.42 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 -0.25 0.93 -4.17 1.08 7.64 -1.26 -5.01 113.62 112.57 1je3 n SER 66 Ca 0.00 -0.96 -0.18 0.00 1.01 0.00 0.00 58.87 58.73 1je3 n SER 66 Cb 0.00 0.54 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.19 1.12 0.00 0.44 2.07 -1.26 -5.09 121.20 117.29 1je3 s ILE 67 Ca 0.06 -1.30 0.00 0.00 -1.41 0.00 0.00 60.65 57.99 1je3 s ILE 67 Cb 0.06 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1je3 s ILE 67 CO 0.20 -0.22 0.00 0.59 -1.91 0.00 0.00 174.94 173.60 1je3 n ASN 68 N 1.29 1.28 0.07 4.50 4.13 -1.26 -4.99 115.26 120.28 1je3 n ASN 68 Ca -0.21 -0.99 -0.10 0.00 1.68 0.00 0.00 54.58 54.96 1je3 n ASN 68 Cb 0.54 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.71 1je3 n ASN 68 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1je3 h ASN 69 N 0.00 -0.22 -0.05 6.41 -1.07 -1.82 -2.64 115.58 116.19 1je3 h ASN 69 Ca 0.00 -0.30 0.02 0.00 0.07 0.00 0.00 56.30 56.09 1je3 h ASN 69 Cb 0.00 0.06 -0.03 0.00 -2.07 0.00 0.00 38.32 36.28 1je3 h ASN 69 CO 0.00 0.31 -0.09 0.40 0.07 0.00 0.00 177.43 178.12 1je3 h ILE 70 N -0.89 0.75 -0.71 6.14 2.04 -1.93 -2.73 117.51 120.19 1je3 h ILE 70 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1je3 h ILE 70 Cb 0.51 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1je3 h ILE 70 CO 0.04 0.00 0.31 1.55 0.00 0.00 0.00 178.15 180.06 1je3 h PRO 71 N -0.14 1.04 0.00 2.37 0.13 -1.95 -2.48 132.00 130.97 1je3 h PRO 71 Ca 0.05 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1je3 h PRO 71 Cb 0.21 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 1je3 h PRO 71 CO -0.13 0.84 -0.00 1.25 -0.23 0.00 0.00 178.00 179.72 1je3 h LEU 72 N 1.00 0.00 0.35 1.56 5.85 -1.32 -0.61 115.31 122.15 1je3 h LEU 72 Ca 0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1je3 h LEU 72 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1je3 h LEU 72 CO -0.03 0.00 -0.17 0.44 -0.34 0.00 0.00 178.44 178.35 1je3 h ASP 73 N 0.00 -0.40 -0.84 1.25 5.19 -1.13 -2.29 116.42 118.19 1je3 h ASP 73 Ca -0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1je3 h ASP 73 Cb 0.00 0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 1je3 h ASP 73 CO 0.00 -0.05 0.50 0.00 -3.12 0.00 0.00 179.24 176.57 1je3 h ALA 74 N -1.31 1.28 0.00 3.45 0.00 -1.49 -1.61 119.26 119.59 1je3 h ALA 74 Ca -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1je3 h ALA 74 Cb 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1je3 h ALA 74 CO 0.08 0.61 -0.19 0.00 0.00 0.00 0.00 179.25 179.74 1je3 h ARG 75 N 1.17 0.00 0.08 0.00 2.47 -1.21 0.26 114.38 117.16 1je3 h ARG 75 Ca 0.30 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1je3 h ARG 75 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1je3 h ARG 75 CO -0.06 0.19 -0.04 -0.97 0.56 0.00 0.00 179.97 179.66 1je3 h ASN 76 N 0.00 -0.09 0.90 7.04 -1.24 -0.68 -3.17 115.58 118.33 1je3 h ASN 76 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1je3 h ASN 76 Cb 0.41 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1je3 h ASN 76 CO 0.03 -0.06 0.00 1.41 -1.29 0.00 0.00 177.43 177.51 1je3 n HIS 77 N -2.34 0.86 -2.05 0.67 8.25 -1.19 -4.97 115.22 114.44 1je3 n HIS 77 Ca -0.01 0.32 -0.02 0.00 -0.26 0.00 0.00 57.72 57.74 1je3 n HIS 77 Cb 0.04 -1.01 -0.02 0.00 1.12 0.00 0.00 29.99 30.13 1je3 n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1je3 n GLY 78 N 0.29 -3.91 0.00 -1.41 0.00 0.89 -5.07 105.19 95.98 1je3 n GLY 78 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.66 0.00 0.00 1.61 9.36 -1.01 -5.02 117.16 122.77 1je3 n TYR 79 Ca -0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1je3 n TYR 79 Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1je3 n THR 80 N 0.00 0.00 -3.80 2.97 -1.04 -1.26 -5.08 114.28 106.07 1je3 n THR 80 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1je3 n THR 80 Cb 0.00 -0.07 -0.13 0.00 -1.82 0.00 0.00 70.33 68.31 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 -0.23 3.71 -0.32 12.58 1.01 -1.04 -5.03 120.40 131.08 1je3 s VAL 81 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1je3 s VAL 81 Cb 0.00 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.53 1je3 s VAL 81 CO 0.00 0.06 0.04 -0.76 0.00 0.00 0.00 175.10 174.44 1je3 s LEU 82 N 1.44 3.89 0.22 3.92 2.01 -1.26 -2.08 118.68 126.82 1je3 s LEU 82 Ca 0.01 -1.89 0.10 0.00 0.01 0.00 0.00 54.13 52.36 1je3 s LEU 82 Cb -0.17 -1.41 -0.05 0.00 0.01 0.00 0.00 46.19 44.57 1je3 s LEU 82 CO 0.01 -0.36 -0.18 -1.81 1.01 0.00 0.00 176.35 175.02 1je3 s ASP 83 N 1.12 2.98 0.18 2.29 1.11 -0.59 -5.04 116.67 118.73 1je3 s ASP 83 Ca 0.08 -0.98 -0.03 0.00 0.18 0.00 0.00 52.55 51.80 1je3 s ASP 83 Cb -0.19 -0.20 -0.03 0.00 1.07 0.00 0.00 42.92 43.57 1je3 s ASP 83 CO -0.11 -0.05 0.16 0.27 1.18 0.00 0.00 175.17 176.61 1je3 s ILE 84 N -2.52 0.04 0.06 0.77 -4.36 -1.26 -1.22 121.20 112.70 1je3 s ILE 84 Ca 0.23 -1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 58.60 1je3 s ILE 84 Cb -0.04 -2.26 0.03 0.00 1.25 0.00 0.00 42.46 41.44 1je3 s ILE 84 CO 0.10 -0.17 0.38 -1.10 0.24 0.00 0.00 174.94 174.38 1je3 s GLN 85 N -4.09 0.92 0.00 0.37 -0.21 -0.34 -4.98 119.66 111.32 1je3 s GLN 85 Ca 0.31 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1je3 s GLN 85 Cb 0.06 0.40 -0.01 0.00 1.00 0.00 0.00 33.01 34.47 1je3 s GLN 85 CO 0.07 -0.32 -0.06 1.14 -2.12 0.00 0.00 175.29 174.00 1je3 s GLN 86 N -2.72 0.50 0.00 2.91 1.03 -1.26 -1.24 119.66 118.89 1je3 s GLN 86 Ca -0.04 -0.32 0.00 0.00 0.04 0.00 0.00 55.36 55.04 1je3 s GLN 86 Cb -0.00 -0.45 0.00 0.00 0.03 0.00 0.00 33.01 32.59 1je3 s GLN 86 CO -0.04 0.12 0.00 -0.25 -2.54 0.00 0.00 175.29 172.58 1je3 n ASP 87 N 2.65 0.00 0.00 12.60 8.00 -1.20 -5.03 116.55 133.57 1je3 n ASP 87 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1je3 n ASP 87 Cb 0.57 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 3.19 1.51 0.21 0.44 0.00 -1.26 -4.94 105.19 104.34 1je3 n GLY 88 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 1.27 -4.31 1.61 -0.04 -1.26 -4.86 135.00 127.41 1je3 n PRO 89 Ca 0.00 -0.41 -0.17 0.00 -0.04 0.00 0.00 63.50 62.88 1je3 n PRO 89 Cb 0.00 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.89 0.37 -0.06 0.52 -4.23 -1.26 -4.81 115.64 104.28 1je3 s THR 90 Ca 0.20 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1je3 s THR 90 Cb 0.10 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.40 1je3 s THR 90 CO 0.15 0.00 0.27 -0.51 -0.54 0.00 0.00 174.62 173.99 1je3 s ILE 91 N -3.74 0.03 0.08 2.99 2.07 -0.57 -3.27 121.20 118.80 1je3 s ILE 91 Ca 0.37 -0.29 0.08 0.00 -1.41 0.00 0.00 60.65 59.41 1je3 s ILE 91 Cb 0.06 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 1je3 s ILE 91 CO 0.15 -0.16 -0.22 0.00 -1.91 0.00 0.00 174.94 172.80 1je3 s ARG 92 N -0.64 1.33 -0.05 3.50 1.70 -0.37 -1.81 118.95 122.61 1je3 s ARG 92 Ca -0.07 -1.10 0.02 0.00 -0.47 0.00 0.00 55.73 54.11 1je3 s ARG 92 Cb -0.04 -1.56 0.02 0.00 -0.57 0.00 0.00 34.95 32.79 1je3 s ARG 92 CO 0.02 0.38 -0.08 0.71 -1.08 0.00 0.00 175.30 175.25 1je3 s TYR 93 N -0.97 1.07 0.01 5.89 1.51 -0.90 -1.20 117.35 122.77 1je3 s TYR 93 Ca 0.08 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1je3 s TYR 93 Cb -0.10 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1je3 s TYR 93 CO 0.03 -0.21 -0.06 -0.48 -1.11 0.00 0.00 175.55 173.72 1je3 s LEU 94 N 0.69 2.10 0.10 -1.29 2.34 -0.36 0.80 118.68 123.07 1je3 s LEU 94 Ca -0.12 -0.26 0.03 0.00 0.06 0.00 0.00 54.13 53.84 1je3 s LEU 94 Cb -0.14 -0.21 -0.04 0.00 -0.56 0.00 0.00 46.19 45.24 1je3 s LEU 94 CO 0.02 -0.04 -0.09 0.27 -1.06 0.00 0.00 176.35 175.45 1je3 s ILE 95 N -0.59 0.86 0.09 1.48 -5.25 -1.19 -1.54 121.20 115.06 1je3 s ILE 95 Ca -0.03 -1.76 -0.17 0.00 -0.99 0.00 0.00 60.65 57.69 1je3 s ILE 95 Cb -0.05 -1.49 0.04 0.00 2.95 0.00 0.00 42.46 43.91 1je3 s ILE 95 CO -0.00 -0.68 0.42 0.00 -1.79 0.00 0.00 174.94 172.89 1je3 s GLN 96 N -3.20 1.01 0.00 0.37 -2.07 -0.88 -0.09 119.66 114.80 1je3 s GLN 96 Ca 0.08 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.09 1je3 s GLN 96 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1je3 s GLN 96 CO -0.01 -0.37 0.36 1.17 -1.32 0.00 0.00 175.29 175.11