#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 1.84 -0.26 3.03 0.00 -1.26 -5.02 107.32 105.65 1je3 s GLY 2 Ca 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 44.72 42.40 1je3 s GLY 2 CO 0.00 1.50 -0.02 -0.45 0.00 0.00 0.00 173.10 174.12 1je3 s SER 3 N 3.61 4.54 -0.06 1.64 0.15 -1.26 -5.09 113.70 117.25 1je3 s SER 3 Ca 0.10 -0.86 0.01 0.00 0.70 0.00 0.00 55.95 55.90 1je3 s SER 3 Cb -0.25 -1.72 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 1je3 s SER 3 CO 0.06 -0.15 -0.06 -0.44 1.20 0.00 0.00 173.24 173.84 1je3 s SER 4 N 1.36 1.28 0.57 5.45 0.01 -1.26 -5.15 113.70 115.96 1je3 s SER 4 Ca 0.00 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.11 1je3 s SER 4 Cb -0.17 -0.57 0.10 0.00 0.21 0.00 0.00 66.02 65.59 1je3 s SER 4 CO -0.03 -0.05 0.71 1.41 0.41 0.00 0.00 173.24 175.70 1je3 n HIS 5 N 4.12 -2.80 -3.63 2.43 -0.00 -1.26 -5.14 115.22 108.95 1je3 n HIS 5 Ca -0.22 -1.48 0.00 0.00 -0.00 0.00 0.00 57.72 56.02 1je3 n HIS 5 Cb 0.51 -0.51 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 -2.30 -0.47 -3.50 4.41 -0.00 -1.26 -5.09 115.22 107.02 1je3 n HIS 6 Ca 0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.42 1je3 n HIS 6 Cb 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.39 1je3 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 7 N -0.29 3.57 0.06 4.41 0.09 -1.26 -4.76 115.29 117.11 1je3 s HIS 7 Ca 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 55.06 52.85 1je3 s HIS 7 Cb 0.00 -3.55 0.00 0.00 -0.00 0.00 0.00 32.58 29.03 1je3 s HIS 7 CO 0.00 -0.94 0.00 0.72 -0.00 0.00 0.00 174.74 174.52 1je3 n HIS 8 N 3.96 -0.54 -3.39 1.40 -0.00 -1.26 -5.13 115.22 110.26 1je3 n HIS 8 Ca 0.08 0.10 -0.19 0.00 -0.00 0.00 0.00 57.72 57.70 1je3 n HIS 8 Cb 0.42 0.52 -0.00 0.00 -0.00 0.00 0.00 29.99 30.93 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 -1.20 3.12 -0.29 4.41 4.02 -1.26 -5.10 115.29 118.98 1je3 s HIS 9 Ca 0.00 -0.16 -0.03 0.00 1.02 0.00 0.00 55.06 55.89 1je3 s HIS 9 Cb 0.00 -2.05 0.04 0.00 -1.02 0.00 0.00 32.58 29.55 1je3 s HIS 9 CO 0.00 -0.07 0.00 -1.01 1.02 0.00 0.00 174.74 174.68 1je3 s HIS 10 N -2.23 3.22 -0.38 1.40 3.76 -1.26 -5.07 115.29 114.73 1je3 s HIS 10 Ca 0.46 -1.72 -0.02 0.00 -0.15 0.00 0.00 55.06 53.63 1je3 s HIS 10 Cb -0.10 -2.12 0.10 0.00 1.11 0.00 0.00 32.58 31.57 1je3 s HIS 10 CO 0.32 -0.77 0.15 0.45 -0.85 0.00 0.00 174.74 174.04 1je3 s SER 11 N 1.29 5.13 -0.03 1.40 0.15 -1.26 -4.98 113.70 115.39 1je3 s SER 11 Ca -0.04 -1.91 -0.06 0.00 0.70 0.00 0.00 55.95 54.64 1je3 s SER 11 Cb -0.19 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1je3 s SER 11 CO -0.01 -0.47 0.37 0.28 1.20 0.00 0.00 173.24 174.61 1je3 h SER 12 N 7.98 -0.19 0.00 5.45 0.02 -1.97 -3.49 113.55 121.34 1je3 h SER 12 Ca -0.13 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1je3 h SER 12 Cb 1.05 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1je3 h SER 12 CO 0.64 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.02 1je3 n GLY 13 N 0.95 3.66 0.68 -3.77 0.00 -1.26 -5.03 105.19 100.42 1je3 n GLY 13 Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 3.30 -3.45 0.99 7.99 -1.26 -4.81 117.00 119.76 1je3 n LEU 14 Ca 0.00 -3.42 -0.26 0.00 -0.01 0.00 0.00 56.01 52.32 1je3 n LEU 14 Cb 0.00 -0.54 -0.09 0.00 -0.11 0.00 0.00 43.42 42.69 1je3 n LEU 14 CO 0.00 0.99 -0.07 0.52 -1.51 0.00 0.00 177.39 177.32 1je3 n VAL 15 N -1.06 1.20 -2.02 4.08 0.31 -1.26 -5.11 118.33 114.47 1je3 n VAL 15 Ca 0.23 -4.72 -0.32 0.00 -0.01 0.00 0.00 64.34 59.52 1je3 n VAL 15 Cb 0.82 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1je3 n VAL 15 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1je3 s PRO 16 N -1.77 3.58 0.04 5.55 0.04 -1.26 -4.99 135.00 136.19 1je3 s PRO 16 Ca 0.36 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1je3 s PRO 16 Cb 0.11 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1je3 s PRO 16 CO -0.08 -0.58 -0.08 1.03 0.04 0.00 0.00 177.00 177.33 1je3 s ARG 17 N -4.66 0.53 0.00 4.56 0.52 -1.26 -5.13 118.95 113.52 1je3 s ARG 17 Ca 0.58 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1je3 s ARG 17 Cb -0.12 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1je3 s ARG 17 CO 0.45 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1je3 n GLY 18 N 1.51 3.76 2.66 -3.53 0.00 -1.26 -5.16 105.19 103.18 1je3 n GLY 18 Ca -0.22 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -0.38 -0.60 1.61 7.64 -1.26 -4.99 113.62 115.64 1je3 n SER 19 Ca 0.00 -1.25 0.10 0.00 1.01 0.00 0.00 58.87 58.73 1je3 n SER 19 Cb 0.00 -0.72 0.03 0.00 -1.01 0.00 0.00 64.21 62.51 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 -3.51 0.00 -3.53 1.43 -0.00 -1.26 -4.81 115.22 103.53 1je3 n HIS 20 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.42 1je3 n HIS 20 Cb 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.32 1je3 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1je3 s MET 21 N -2.05 2.55 -0.84 -0.41 0.23 -1.26 -5.02 119.30 112.51 1je3 s MET 21 Ca 0.19 -1.81 -0.08 0.00 -1.03 0.00 0.00 55.69 52.96 1je3 s MET 21 Cb 0.17 -3.97 0.22 0.00 -1.53 0.00 0.00 34.83 29.71 1je3 s MET 21 CO 0.41 -1.21 0.75 0.15 -2.03 0.00 0.00 175.02 173.09 1je3 s LYS 22 N 1.29 3.39 -0.52 3.16 1.02 -1.26 -5.02 119.74 121.79 1je3 s LYS 22 Ca 0.06 -2.76 -0.19 0.00 0.02 0.00 0.00 55.97 53.10 1je3 s LYS 22 Cb -0.26 -4.19 0.07 0.00 -0.52 0.00 0.00 37.83 32.93 1je3 s LYS 22 CO -0.01 -1.25 0.64 -0.80 -0.92 0.00 0.00 175.35 173.02 1je3 s ASN 23 N 1.23 6.22 0.04 2.83 -0.87 -1.26 -4.90 114.94 118.22 1je3 s ASN 23 Ca 0.22 -0.99 -0.11 0.00 -1.57 0.00 0.00 52.86 50.40 1je3 s ASN 23 Cb -0.12 -2.29 -0.33 0.00 -0.02 0.00 0.00 41.25 38.49 1je3 s ASN 23 CO -0.08 -0.93 1.01 0.40 -2.57 0.00 0.00 177.10 174.92 1je3 h ILE 24 N 5.87 1.31 0.00 0.60 2.04 -1.98 -3.41 117.51 121.95 1je3 h ILE 24 Ca -0.28 -2.80 -0.37 0.00 1.00 0.00 0.00 64.86 62.40 1je3 h ILE 24 Cb 1.09 2.98 -0.06 0.00 -0.74 0.00 0.00 36.82 40.09 1je3 h ILE 24 CO 0.99 0.84 -2.23 0.52 0.00 0.00 0.00 178.15 178.27 1je3 n VAL 25 N -3.63 1.40 -1.53 1.67 0.31 -1.26 -4.90 118.33 110.38 1je3 n VAL 25 Ca -0.15 -0.29 -0.38 0.00 -0.01 0.00 0.00 64.34 63.51 1je3 n VAL 25 Cb 1.08 -1.90 -0.07 0.00 -0.91 0.00 0.00 33.84 32.04 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1je3 n PRO 26 N -4.16 0.69 0.00 5.55 -0.02 -1.26 -1.66 135.00 134.13 1je3 n PRO 26 Ca -0.45 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1je3 n PRO 26 Cb 0.81 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 14.12 0.00 -4.27 2.55 -0.08 0.33 -4.82 116.55 124.39 1je3 n ASP 27 Ca 0.47 0.32 -0.15 0.00 -1.51 0.00 0.00 54.79 53.93 1je3 n ASP 27 Cb 0.37 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.73 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 -0.65 1.34 -0.01 -0.67 2.02 -1.12 -4.99 117.35 113.27 1je3 s TYR 28 Ca 0.00 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 55.62 1je3 s TYR 28 Cb 0.00 -0.77 -0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1je3 s TYR 28 CO 0.00 -0.28 -0.06 -0.98 -1.57 0.00 0.00 175.55 172.67 1je3 s ARG 29 N -3.97 0.54 -0.53 -0.62 1.04 -1.26 -2.17 118.95 111.98 1je3 s ARG 29 Ca 0.30 -0.21 0.05 0.00 -1.04 0.00 0.00 55.73 54.83 1je3 s ARG 29 Cb 0.07 -0.53 0.19 0.00 -2.04 0.00 0.00 34.95 32.63 1je3 s ARG 29 CO 0.08 0.11 0.45 -0.11 -0.04 0.00 0.00 175.30 175.79 1je3 n LEU 30 N 3.08 1.17 -3.88 -1.89 -0.00 0.58 -4.96 117.00 111.11 1je3 n LEU 30 Ca -0.15 -4.79 -0.40 0.00 -0.00 0.00 0.00 56.01 50.67 1je3 n LEU 30 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1je3 n LEU 30 CO 0.25 1.87 0.97 0.47 -0.00 0.00 0.00 177.39 180.95 1je3 n ASP 31 N 2.19 6.03 0.00 1.96 9.92 -1.25 -0.41 116.55 134.98 1je3 n ASP 31 Ca 0.26 -3.44 0.00 0.00 -0.53 0.00 0.00 54.79 51.08 1je3 n ASP 31 Cb 0.43 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1je3 n MET 32 N 1.15 0.00 -3.97 -1.24 2.81 0.12 -4.83 117.12 111.17 1je3 n MET 32 Ca 0.28 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.97 1je3 n MET 32 Cb 0.34 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.68 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 2.19 0.36 -0.59 2.03 1.01 -1.26 -2.81 120.40 121.32 1je3 s VAL 33 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1je3 s VAL 33 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1je3 s VAL 33 CO 0.00 0.21 1.91 -0.83 0.00 0.00 0.00 175.10 176.39 1je3 s GLY 34 N 1.26 0.15 0.14 4.51 0.00 -1.11 -4.82 107.32 107.45 1je3 s GLY 34 Ca -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1je3 s GLY 34 CO -0.02 3.49 0.30 -1.83 0.00 0.00 0.00 173.10 175.03 1je3 s GLU 35 N 7.12 3.47 0.65 2.90 -1.05 -1.26 -4.79 118.70 125.74 1je3 s GLU 35 Ca 0.70 -0.48 0.32 0.00 -0.15 0.00 0.00 54.97 55.37 1je3 s GLU 35 Cb -0.13 -2.95 1.77 0.00 -0.44 0.00 0.00 34.13 32.38 1je3 s GLU 35 CO 0.22 0.51 2.03 -1.00 0.95 0.00 0.00 175.26 177.96 1je3 h PRO 36 N 2.36 0.00 -6.98 -4.83 0.13 -1.93 -3.42 132.00 117.32 1je3 h PRO 36 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1je3 h PRO 36 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1je3 h PRO 36 CO 0.70 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.87 1je3 n PRO 38 N -0.23 0.08 -3.49 0.00 -0.02 -1.26 -4.64 135.00 125.44 1je3 n PRO 38 Ca 0.06 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.82 1je3 n PRO 38 Cb 0.50 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 1je3 n PRO 38 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1je3 s TYR 39 N -3.29 3.48 -2.04 6.00 2.02 -1.26 -1.95 117.35 120.30 1je3 s TYR 39 Ca -0.01 0.52 0.10 0.00 -0.37 0.00 0.00 57.07 57.31 1je3 s TYR 39 Cb 0.04 -2.00 0.43 0.00 -0.40 0.00 0.00 41.96 40.03 1je3 s TYR 39 CO 0.12 0.26 1.31 -0.35 -1.57 0.00 0.00 175.55 175.31 1je3 n PRO 40 N -0.81 1.35 0.00 -1.71 -0.05 -1.26 -4.60 135.00 127.93 1je3 n PRO 40 Ca -0.03 -0.54 0.00 0.00 -0.05 0.00 0.00 63.50 62.88 1je3 n PRO 40 Cb 0.54 -1.20 0.00 0.00 -0.05 0.00 0.00 33.50 32.79 1je3 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1je3 n ALA 41 N -0.13 1.35 0.11 0.55 0.00 -0.82 -2.53 120.51 119.03 1je3 n ALA 41 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.73 1je3 n ALA 41 Cb 0.15 -0.90 0.74 0.00 0.00 0.00 0.00 19.45 19.44 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 0.32 -0.13 0.00 3.04 -1.73 0.48 116.25 118.23 1je3 h VAL 42 Ca 0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 1je3 h VAL 42 Cb 0.00 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1je3 h VAL 42 CO 0.00 0.00 -0.70 0.00 -1.01 0.00 0.00 177.57 175.86 1je3 h ALA 43 N 1.44 0.53 0.01 3.17 0.00 -1.82 -2.84 119.26 119.75 1je3 h ALA 43 Ca 0.18 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1je3 h ALA 43 Cb 1.11 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1je3 h ALA 43 CO -0.00 0.72 -0.31 1.15 0.00 0.00 0.00 179.25 180.81 1je3 h THR 44 N 0.40 0.32 0.15 0.00 2.02 -0.28 0.16 112.91 115.66 1je3 h THR 44 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1je3 h THR 44 Cb 1.29 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1je3 h THR 44 CO 0.13 0.00 -0.07 0.25 0.37 0.00 0.00 175.52 176.20 1je3 h LEU 45 N -0.47 -0.17 -2.80 2.58 5.85 -1.61 -2.48 115.31 116.21 1je3 h LEU 45 Ca 0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1je3 h LEU 45 Cb 0.55 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1je3 h LEU 45 CO -0.26 0.01 0.02 1.05 -0.34 0.00 0.00 178.44 178.92 1je3 h GLU 46 N -0.34 0.00 -0.09 1.25 -0.00 -1.33 -0.81 114.58 113.27 1je3 h GLU 46 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.18 1je3 h GLU 46 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.01 1je3 h GLU 46 CO 0.03 0.00 -0.65 0.00 -0.00 0.00 0.00 179.01 178.39 1je3 h ALA 47 N 1.97 0.73 -0.28 1.06 0.00 -0.22 -3.15 119.26 119.37 1je3 h ALA 47 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.41 1je3 h ALA 47 Cb 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1je3 h ALA 47 CO -0.00 0.74 -0.36 0.52 0.00 0.00 0.00 179.25 180.16 1je3 h MET 48 N 0.25 -0.33 -0.38 0.00 2.86 -1.02 -0.46 114.93 115.84 1je3 h MET 48 Ca -0.01 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1je3 h MET 48 Cb 1.19 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1je3 h MET 48 CO 0.11 -0.22 -0.22 -1.35 1.06 0.00 0.00 176.91 176.28 1je3 h PRO 49 N -0.34 0.76 0.00 -0.22 0.11 -1.70 -2.55 132.00 128.05 1je3 h PRO 49 Ca 0.13 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1je3 h PRO 49 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1je3 h PRO 49 CO -0.47 0.91 0.00 0.94 -0.21 0.00 0.00 178.00 179.17 1je3 n GLN 50 N -4.11 0.64 -1.10 1.05 7.27 -0.72 -4.88 117.38 115.52 1je3 n GLN 50 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 1je3 n GLN 50 Cb 0.43 -1.29 0.06 0.00 2.41 0.00 0.00 30.24 31.86 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1je3 n LEU 51 N -0.79 -2.00 0.00 1.69 -0.00 -0.26 -4.99 117.00 110.65 1je3 n LEU 51 Ca 0.09 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 1je3 n LEU 51 Cb 0.04 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1je3 n LEU 51 CO 0.07 -4.29 0.00 0.29 -0.00 0.00 0.00 177.39 173.45 1je3 n LYS 52 N 0.35 0.00 0.00 1.47 5.02 -1.26 -5.03 118.16 118.71 1je3 n LYS 52 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1je3 n LYS 52 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1je3 n LYS 52 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1je3 n LYS 53 N 0.00 0.00 0.00 1.97 0.00 -1.26 -5.05 118.16 113.82 1je3 n LYS 53 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1je3 n LYS 53 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 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 0.00 0.37 2.97 2.58 0.00 -1.26 -5.02 105.19 104.84 1je3 n GLY 54 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 0.75 -3.50 1.61 0.00 -1.26 -4.56 120.64 113.68 1je3 n GLU 55 Ca 0.00 -2.47 -0.15 0.00 0.00 0.00 0.00 57.16 54.53 1je3 n GLU 55 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 31.44 31.36 1je3 n GLU 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1je3 s ILE 56 N -1.87 0.00 0.09 3.84 1.01 -0.66 -0.72 121.20 122.89 1je3 s ILE 56 Ca 0.40 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 61.03 1je3 s ILE 56 Cb -0.03 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1je3 s ILE 56 CO 0.25 -0.02 -0.08 -0.22 0.00 0.00 0.00 174.94 174.87 1je3 s LEU 57 N -1.81 2.43 -0.17 2.97 2.96 0.13 0.12 118.68 125.31 1je3 s LEU 57 Ca -0.06 -0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1je3 s LEU 57 Cb -0.00 -0.18 0.06 0.00 0.50 0.00 0.00 46.19 46.57 1je3 s LEU 57 CO 0.01 -0.34 0.11 -1.61 -1.32 0.00 0.00 176.35 173.19 1je3 s GLU 58 N -3.05 0.07 -0.15 1.98 2.02 -0.92 -3.13 118.70 115.52 1je3 s GLU 58 Ca 0.06 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.03 1je3 s GLU 58 Cb -0.00 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1je3 s GLU 58 CO -0.02 -0.66 -0.17 0.08 0.02 0.00 0.00 175.26 174.51 1je3 s VAL 59 N 2.17 2.44 -0.35 2.63 1.01 0.91 -0.30 120.40 128.90 1je3 s VAL 59 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1je3 s VAL 59 Cb -0.16 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.32 1je3 s VAL 59 CO -0.09 0.52 0.14 -0.69 0.00 0.00 0.00 175.10 174.99 1je3 s VAL 60 N 0.88 0.97 0.39 2.92 1.01 0.45 -0.38 120.40 126.64 1je3 s VAL 60 Ca -0.05 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.23 1je3 s VAL 60 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1je3 s VAL 60 CO -0.02 -0.76 0.12 -0.94 0.00 0.00 0.00 175.10 173.50 1je3 s SER 61 N 1.23 2.60 -0.10 3.32 1.04 -0.73 -0.70 113.70 120.36 1je3 s SER 61 Ca 0.13 -1.63 0.03 0.00 0.48 0.00 0.00 55.95 54.96 1je3 s SER 61 Cb -0.20 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1je3 s SER 61 CO -0.16 -0.89 -0.19 -0.62 0.98 0.00 0.00 173.24 172.36 1je3 s ASP 62 N -3.57 3.51 -0.07 7.02 -1.08 -1.12 -2.21 116.67 119.15 1je3 s ASP 62 Ca 0.27 -0.44 -0.03 0.00 -0.52 0.00 0.00 52.55 51.83 1je3 s ASP 62 Cb 0.04 -1.37 0.04 0.00 -1.46 0.00 0.00 42.92 40.16 1je3 s ASP 62 CO 0.15 0.19 0.16 0.00 0.52 0.00 0.00 175.17 176.18 1je3 n PRO 64 N 4.11 0.76 0.00 0.00 -0.04 -1.26 -4.79 135.00 133.78 1je3 n PRO 64 Ca -0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1je3 n PRO 64 Cb 0.52 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1je3 n PRO 64 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1je3 n GLN 65 N -0.77 2.53 -0.03 0.54 6.02 -1.26 -5.08 117.38 119.32 1je3 n GLN 65 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1je3 n GLN 65 Cb 0.05 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.23 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 0.00 2.78 -4.68 1.08 2.88 -1.26 -5.01 113.62 109.42 1je3 n SER 66 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1je3 n SER 66 Cb 0.00 0.90 -0.04 0.00 -0.75 0.00 0.00 64.21 64.32 1je3 n SER 66 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1je3 n ILE 67 N -2.21 0.10 -3.32 2.46 5.41 -1.26 -4.96 119.36 115.58 1je3 n ILE 67 Ca -0.11 -0.02 -0.39 0.00 1.00 0.00 0.00 62.75 63.23 1je3 n ILE 67 Cb 0.66 -1.72 -0.07 0.00 -0.71 0.00 0.00 39.64 37.80 1je3 n ILE 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1je3 s ASN 68 N 1.46 6.52 0.00 4.38 4.22 -1.26 -5.02 114.94 125.25 1je3 s ASN 68 Ca 0.80 0.62 0.00 0.00 -2.14 0.00 0.00 52.86 52.14 1je3 s ASN 68 Cb -0.63 -2.26 0.00 0.00 1.28 0.00 0.00 41.25 39.64 1je3 s ASN 68 CO 0.38 -0.11 0.29 0.59 -2.04 0.00 0.00 177.10 176.21 1je3 n ASN 69 N 4.48 0.00 -0.21 3.54 3.02 -1.26 -2.67 115.26 122.16 1je3 n ASN 69 Ca -0.07 0.50 -0.02 0.00 -0.03 0.00 0.00 54.58 54.96 1je3 n ASN 69 Cb 0.51 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 39.41 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1je3 h ILE 70 N 0.00 0.26 -0.01 2.41 1.08 -1.92 0.82 117.51 120.14 1je3 h ILE 70 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1je3 h ILE 70 Cb 0.00 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.01 1je3 h ILE 70 CO 0.00 0.00 -0.02 -0.65 -0.69 0.00 0.00 178.15 176.79 1je3 h PRO 71 N -0.07 0.01 -0.28 2.37 0.11 -1.97 -1.90 132.00 130.27 1je3 h PRO 71 Ca 0.28 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1je3 h PRO 71 Cb 0.52 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1je3 h PRO 71 CO -0.68 0.04 0.13 1.25 -0.21 0.00 0.00 178.00 178.52 1je3 h LEU 72 N 0.01 0.35 0.40 2.35 5.85 -0.60 0.14 115.31 123.81 1je3 h LEU 72 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1je3 h LEU 72 Cb 0.05 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1je3 h LEU 72 CO 0.00 0.31 -0.19 0.44 -0.34 0.00 0.00 178.44 178.66 1je3 h ASP 73 N 0.39 -0.45 -0.59 1.25 5.19 -1.23 -1.82 116.42 119.16 1je3 h ASP 73 Ca 0.10 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1je3 h ASP 73 Cb 0.06 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 1je3 h ASP 73 CO -0.01 -0.03 0.39 0.00 -3.12 0.00 0.00 179.24 176.47 1je3 h ALA 74 N -0.78 1.62 -0.50 3.45 0.00 -1.51 -1.42 119.26 120.11 1je3 h ALA 74 Ca -0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1je3 h ALA 74 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1je3 h ALA 74 CO 0.09 0.34 0.03 -0.09 0.00 0.00 0.00 179.25 179.62 1je3 h ARG 75 N 0.76 0.81 0.81 0.00 2.43 -0.74 0.16 114.38 118.61 1je3 h ARG 75 Ca 0.22 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1je3 h ARG 75 Cb -0.03 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1je3 h ARG 75 CO -0.05 0.80 -0.39 -0.97 -1.51 0.00 0.00 179.97 177.84 1je3 h ASN 76 N 0.76 -0.92 0.41 -3.80 -0.00 -0.36 -3.32 115.58 108.35 1je3 h ASN 76 Ca 0.15 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.46 1je3 h ASN 76 Cb 0.42 0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.98 1je3 h ASN 76 CO 0.01 -0.65 -0.20 0.45 -0.00 0.00 0.00 177.43 177.05 1je3 h HIS 77 N -1.11 -0.51 0.00 0.67 3.86 -1.46 -3.49 115.15 113.12 1je3 h HIS 77 Ca -0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1je3 h HIS 77 Cb 0.84 0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1je3 h HIS 77 CO -0.01 -0.32 0.00 0.41 0.86 0.00 0.00 177.93 178.87 1je3 n GLY 78 N -0.57 0.72 0.25 2.45 0.00 0.54 -5.12 105.19 103.47 1je3 n GLY 78 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -3.67 0.01 1.61 4.19 -1.09 -5.04 117.16 113.17 1je3 n TYR 79 Ca 0.00 -0.10 -0.01 0.00 3.31 0.00 0.00 57.90 61.10 1je3 n TYR 79 Cb 0.00 -0.06 -0.01 0.00 0.49 0.00 0.00 39.34 39.77 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 -0.72 0.00 -3.36 2.97 2.02 -1.95 -3.46 112.91 108.41 1je3 h THR 80 Ca -0.02 -0.28 -0.55 0.00 0.77 0.00 0.00 66.41 66.32 1je3 h THR 80 Cb 0.08 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 66.15 1je3 h THR 80 CO 0.02 0.00 -0.83 -0.69 0.37 0.00 0.00 175.52 174.39 1je3 s VAL 81 N -1.62 1.35 -0.31 3.16 1.01 0.03 -5.01 120.40 119.00 1je3 s VAL 81 Ca -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1je3 s VAL 81 Cb 0.00 -1.22 0.10 0.00 0.00 0.00 0.00 36.38 35.26 1je3 s VAL 81 CO 0.03 0.40 0.09 -0.76 0.00 0.00 0.00 175.10 174.87 1je3 s LEU 82 N 0.73 2.44 0.32 3.92 2.01 -1.26 -1.97 118.68 124.86 1je3 s LEU 82 Ca -0.13 -1.68 0.05 0.00 0.01 0.00 0.00 54.13 52.39 1je3 s LEU 82 Cb -0.16 -0.92 -0.06 0.00 0.01 0.00 0.00 46.19 45.05 1je3 s LEU 82 CO 0.03 -0.41 0.01 -1.81 1.01 0.00 0.00 176.35 175.17 1je3 s ASP 83 N 1.56 2.75 0.27 2.29 1.01 -0.62 -5.04 116.67 118.90 1je3 s ASP 83 Ca 0.10 -1.30 0.05 0.00 0.71 0.00 0.00 52.55 52.11 1je3 s ASP 83 Cb -0.17 -0.16 -0.02 0.00 1.01 0.00 0.00 42.92 43.57 1je3 s ASP 83 CO -0.24 -0.48 0.19 2.30 0.21 0.00 0.00 175.17 177.16 1je3 n ILE 84 N -0.69 0.00 -3.94 0.77 -5.35 -1.26 -0.98 119.36 107.92 1je3 n ILE 84 Ca -0.04 -1.89 -0.12 0.00 -0.27 0.00 0.00 62.75 60.43 1je3 n ILE 84 Cb 0.65 0.88 -0.01 0.00 -1.74 0.00 0.00 39.64 39.43 1je3 n ILE 84 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1je3 s GLN 85 N -3.10 2.09 -0.08 6.28 -0.21 0.22 -4.87 119.66 119.99 1je3 s GLN 85 Ca 0.27 -1.59 -0.10 0.00 0.02 0.00 0.00 55.36 53.97 1je3 s GLN 85 Cb 0.01 0.54 0.02 0.00 1.00 0.00 0.00 33.01 34.59 1je3 s GLN 85 CO 0.19 -0.93 0.26 -1.14 -2.12 0.00 0.00 175.29 171.55 1je3 s GLN 86 N -2.65 0.37 0.00 2.91 0.74 -1.26 -3.24 119.66 116.52 1je3 s GLN 86 Ca 0.22 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.85 1je3 s GLN 86 Cb -0.03 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1je3 s GLN 86 CO 0.16 -0.06 0.00 -3.47 -0.55 0.00 0.00 175.29 171.36 1je3 n ASP 87 N 2.59 0.00 0.00 6.67 -0.08 -1.20 -4.98 116.55 119.54 1je3 n ASP 87 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1je3 n ASP 87 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 2.68 -1.14 1.15 0.27 0.00 -1.26 -4.60 105.19 102.29 1je3 n GLY 88 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 1.46 -3.70 1.61 -0.04 -1.26 -4.85 135.00 128.22 1je3 n PRO 89 Ca 0.00 -0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 62.62 1je3 n PRO 89 Cb 0.00 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1je3 n PRO 89 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1je3 n THR 90 N 0.13 0.00 -3.76 0.52 -2.24 -1.26 -4.85 114.28 102.82 1je3 n THR 90 Ca 0.12 -1.81 -0.13 0.00 -2.27 0.00 0.00 64.05 59.96 1je3 n THR 90 Cb 0.68 0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 1je3 n THR 90 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1je3 s ILE 91 N -2.99 0.06 0.00 2.28 2.07 -0.94 -3.25 121.20 118.44 1je3 s ILE 91 Ca 0.30 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1je3 s ILE 91 Cb 0.01 -0.64 -0.00 0.00 0.13 0.00 0.00 42.46 41.96 1je3 s ILE 91 CO 0.21 -0.28 -0.01 0.00 -1.91 0.00 0.00 174.94 172.96 1je3 s ARG 92 N -1.45 0.06 0.04 3.50 1.70 -1.20 -1.77 118.95 119.82 1je3 s ARG 92 Ca -0.13 -0.06 0.06 0.00 -0.47 0.00 0.00 55.73 55.13 1je3 s ARG 92 Cb -0.05 -0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.28 1je3 s ARG 92 CO 0.03 0.01 -0.17 0.71 -1.08 0.00 0.00 175.30 174.80 1je3 s TYR 93 N -0.12 1.46 0.03 5.89 2.02 0.49 0.69 117.35 127.80 1je3 s TYR 93 Ca -0.01 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1je3 s TYR 93 Cb -0.01 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 1je3 s TYR 93 CO -0.00 0.05 -0.05 -0.48 -1.57 0.00 0.00 175.55 173.50 1je3 s LEU 94 N -1.08 2.27 0.12 -1.29 2.34 -0.15 -0.06 118.68 120.83 1je3 s LEU 94 Ca 0.04 -0.56 0.04 0.00 0.06 0.00 0.00 54.13 53.71 1je3 s LEU 94 Cb -0.08 -0.00 -0.04 0.00 -0.56 0.00 0.00 46.19 45.51 1je3 s LEU 94 CO 0.01 -0.29 -0.11 0.27 -1.06 0.00 0.00 176.35 175.18 1je3 s ILE 95 N -1.64 1.10 0.11 1.48 -5.25 -1.18 -1.59 121.20 114.23 1je3 s ILE 95 Ca -0.11 -1.85 -0.18 0.00 -0.99 0.00 0.00 60.65 57.52 1je3 s ILE 95 Cb -0.08 -1.61 0.04 0.00 2.95 0.00 0.00 42.46 43.75 1je3 s ILE 95 CO -0.01 -0.63 0.43 0.00 -1.79 0.00 0.00 174.94 172.95 1je3 s GLN 96 N -3.22 1.06 0.00 0.37 -2.07 -0.83 0.18 119.66 115.15 1je3 s GLN 96 Ca 0.11 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1je3 s GLN 96 Cb -0.01 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 1je3 s GLN 96 CO 0.01 -0.41 0.40 1.17 -1.32 0.00 0.00 175.29 175.14