#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 5.97 0.66 3.03 0.00 -1.26 -5.05 105.19 108.54 1je3 n GLY 2 Ca 0.00 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.30 1je3 n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1je3 n SER 3 N 0.00 2.82 -4.90 1.61 3.41 -1.26 -4.99 113.62 110.30 1je3 n SER 3 Ca 0.00 -1.91 -0.31 0.00 -0.26 0.00 0.00 58.87 56.40 1je3 n SER 3 Cb 0.00 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1je3 n SER 3 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1je3 s SER 4 N -1.00 6.48 -0.25 4.04 1.04 -1.26 -5.09 113.70 117.66 1je3 s SER 4 Ca 0.23 0.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.25 1je3 s SER 4 Cb 0.13 -2.09 0.08 0.00 0.10 0.00 0.00 66.02 64.23 1je3 s SER 4 CO 0.17 0.01 0.03 -2.28 0.98 0.00 0.00 173.24 172.15 1je3 s HIS 5 N -1.73 1.78 0.37 5.02 5.65 -1.26 -4.95 115.29 120.17 1je3 s HIS 5 Ca 0.41 -1.52 0.04 0.00 0.25 0.00 0.00 55.06 54.25 1je3 s HIS 5 Cb -0.12 -1.51 -0.03 0.00 -1.18 0.00 0.00 32.58 29.74 1je3 s HIS 5 CO 0.25 -0.77 0.15 -3.38 -0.65 0.00 0.00 174.74 170.34 1je3 s HIS 6 N 1.60 1.76 1.00 3.88 0.00 -1.26 -5.16 115.29 117.10 1je3 s HIS 6 Ca 0.02 -1.32 -0.14 0.00 -3.00 0.00 0.00 55.06 50.62 1je3 s HIS 6 Cb -0.18 -1.06 0.19 0.00 -4.00 0.00 0.00 32.58 27.53 1je3 s HIS 6 CO -0.13 -0.38 1.14 -1.58 -1.00 0.00 0.00 174.74 172.78 1je3 s HIS 7 N -3.32 1.92 -0.45 0.38 5.04 -1.26 -4.99 115.29 112.61 1je3 s HIS 7 Ca 0.29 0.76 0.04 0.00 -1.54 0.00 0.00 55.06 54.61 1je3 s HIS 7 Cb 0.03 -3.44 0.43 0.00 0.04 0.00 0.00 32.58 29.64 1je3 s HIS 7 CO 0.17 -2.84 1.39 -2.39 -2.34 0.00 0.00 174.74 168.72 1je3 n HIS 8 N -4.07 3.05 0.00 3.88 -0.00 -1.26 -4.84 115.22 111.98 1je3 n HIS 8 Ca 0.08 -2.63 0.00 0.00 -0.00 0.00 0.00 57.72 55.18 1je3 n HIS 8 Cb 0.59 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 1je3 n HIS 8 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1je3 n HIS 9 N -0.66 0.00 -2.44 -1.40 -0.00 -1.26 -4.11 115.22 105.36 1je3 n HIS 9 Ca 0.46 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.32 1je3 n HIS 9 Cb 0.75 -0.50 0.01 0.00 -0.12 0.00 0.00 29.99 30.13 1je3 n HIS 9 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1je3 n HIS 10 N -1.99 3.35 0.00 1.57 8.25 -1.26 -4.86 115.22 120.28 1je3 n HIS 10 Ca 0.00 -3.01 0.00 0.00 -0.26 0.00 0.00 57.72 54.45 1je3 n HIS 10 Cb 0.00 -0.58 0.00 0.00 1.12 0.00 0.00 29.99 30.53 1je3 n HIS 10 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1je3 n SER 11 N -0.40 0.00 -4.16 0.41 3.41 -1.26 -4.74 113.62 106.88 1je3 n SER 11 Ca 0.42 0.60 -0.34 0.00 -0.26 0.00 0.00 58.87 59.29 1je3 n SER 11 Cb 0.45 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1je3 n SER 11 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1je3 s SER 12 N -2.08 4.55 -0.33 4.04 0.15 -1.26 -4.97 113.70 113.80 1je3 s SER 12 Ca 0.00 -1.15 0.08 0.00 0.70 0.00 0.00 55.95 55.57 1je3 s SER 12 Cb 0.00 -1.65 0.53 0.00 -1.71 0.00 0.00 66.02 63.19 1je3 s SER 12 CO 0.00 -0.19 1.55 0.61 1.20 0.00 0.00 173.24 176.40 1je3 n GLY 13 N 4.60 4.91 0.14 9.45 0.00 -1.26 -4.58 105.19 118.44 1je3 n GLY 13 Ca -0.15 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 1je3 n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1je3 h LEU 14 N 1.05 0.57 0.00 0.99 5.85 -2.01 -3.41 115.31 118.36 1je3 h LEU 14 Ca 0.31 -0.92 -0.14 0.00 0.84 0.00 0.00 57.88 57.97 1je3 h LEU 14 Cb 1.85 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 1je3 h LEU 14 CO 0.55 1.73 -0.83 0.58 -0.34 0.00 0.00 178.44 180.13 1je3 h VAL 15 N -0.02 0.90 -3.14 1.05 2.07 -2.04 -3.44 116.25 111.63 1je3 h VAL 15 Ca -0.32 -1.97 -0.56 0.00 0.82 0.00 0.00 66.70 64.68 1je3 h VAL 15 Cb 2.00 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 33.70 1je3 h VAL 15 CO 0.15 0.30 1.06 -2.16 0.02 0.00 0.00 177.57 176.95 1je3 s PRO 16 N -2.27 3.47 -0.20 1.57 0.04 -1.26 -4.99 135.00 131.37 1je3 s PRO 16 Ca -0.23 0.66 -0.26 0.00 0.04 0.00 0.00 61.00 61.22 1je3 s PRO 16 Cb 0.03 -4.05 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 1je3 s PRO 16 CO 0.52 -1.71 0.87 0.50 0.04 0.00 0.00 177.00 177.22 1je3 s ARG 17 N 5.12 4.26 -1.25 4.56 3.52 -1.26 -4.79 118.95 129.12 1je3 s ARG 17 Ca 0.55 1.05 -0.14 0.00 -0.13 0.00 0.00 55.73 57.07 1je3 s ARG 17 Cb -0.11 -3.60 0.14 0.00 -1.56 0.00 0.00 34.95 29.82 1je3 s ARG 17 CO 0.29 -0.42 1.60 0.41 -0.81 0.00 0.00 175.30 176.37 1je3 n GLY 18 N 3.51 3.46 2.24 8.12 0.00 -1.26 -4.77 105.19 116.49 1je3 n GLY 18 Ca 0.06 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 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 5.97 6.43 -4.19 1.61 7.64 -1.26 -4.81 113.62 125.00 1je3 n SER 19 Ca 0.40 -3.75 -0.44 0.00 1.01 0.00 0.00 58.87 56.10 1je3 n SER 19 Cb 0.42 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1je3 n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1je3 n HIS 20 N -0.96 3.97 -0.02 1.43 1.44 -1.26 -4.69 115.22 115.12 1je3 n HIS 20 Ca 0.60 -3.32 -0.06 0.00 -2.01 0.00 0.00 57.72 52.93 1je3 n HIS 20 Cb 0.92 -1.55 -0.02 0.00 0.12 0.00 0.00 29.99 29.46 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1je3 n MET 21 N 2.26 0.25 -3.82 -1.40 2.81 -1.26 -4.99 117.12 110.96 1je3 n MET 21 Ca 0.26 0.10 -0.36 0.00 -1.81 0.00 0.00 57.70 55.89 1je3 n MET 21 Cb 0.37 -0.93 -0.11 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.38 3.83 0.27 0.03 1.02 -1.26 -5.09 119.74 116.16 1je3 s LYS 22 Ca -0.14 -0.40 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 1je3 s LYS 22 Cb 0.03 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.90 1je3 s LYS 22 CO 0.20 -0.01 0.76 1.21 -0.92 0.00 0.00 175.35 176.59 1je3 s ASN 23 N 1.17 7.00 -0.10 2.83 3.04 -1.26 -4.99 114.94 122.64 1je3 s ASN 23 Ca 0.05 1.43 0.13 0.00 0.04 0.00 0.00 52.86 54.51 1je3 s ASN 23 Cb -0.14 -2.43 -0.19 0.00 -1.54 0.00 0.00 41.25 36.95 1je3 s ASN 23 CO 0.04 -0.06 0.14 -0.38 -3.04 0.00 0.00 177.10 173.80 1je3 n ILE 24 N 0.35 0.61 -4.96 -5.21 2.08 -1.26 -4.98 119.36 105.99 1je3 n ILE 24 Ca 0.00 -0.50 -0.27 0.00 0.56 0.00 0.00 62.75 62.55 1je3 n ILE 24 Cb 0.52 -0.36 -0.16 0.00 -0.75 0.00 0.00 39.64 38.89 1je3 n ILE 24 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1je3 s VAL 25 N -2.57 1.58 0.00 1.39 -7.23 -1.26 -4.88 120.40 107.43 1je3 s VAL 25 Ca -0.06 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1je3 s VAL 25 Cb 0.06 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.67 1je3 s VAL 25 CO 0.58 0.45 0.00 -2.65 -0.31 0.00 0.00 175.10 173.17 1je3 n PRO 26 N 2.80 0.00 -3.13 4.82 -0.02 -1.26 -4.95 135.00 133.26 1je3 n PRO 26 Ca -0.16 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.24 1je3 n PRO 26 Cb 0.53 -0.38 0.01 0.00 -0.02 0.00 0.00 33.50 33.64 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 0.00 -7.31 -4.66 2.55 2.03 0.44 -4.89 116.55 104.71 1je3 n ASP 27 Ca 0.00 -0.03 -0.34 0.00 0.52 0.00 0.00 54.79 54.95 1je3 n ASP 27 Cb 0.00 -4.62 -0.10 0.00 -0.72 0.00 0.00 41.12 35.68 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 -2.79 3.08 -0.08 -0.67 2.02 -1.19 -4.84 117.35 112.88 1je3 s TYR 28 Ca 0.10 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1je3 s TYR 28 Cb -0.02 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1je3 s TYR 28 CO 0.78 0.44 -0.09 1.03 -1.57 0.00 0.00 175.55 176.15 1je3 s ARG 29 N -1.14 2.91 -0.48 -0.62 0.52 -1.22 -0.31 118.95 118.61 1je3 s ARG 29 Ca 0.16 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 1je3 s ARG 29 Cb -0.11 -2.60 0.14 0.00 0.52 0.00 0.00 34.95 32.90 1je3 s ARG 29 CO 0.05 0.54 0.26 -1.17 0.02 0.00 0.00 175.30 175.01 1je3 s LEU 30 N -0.49 3.23 -0.99 2.53 1.98 -0.96 -4.99 118.68 118.99 1je3 s LEU 30 Ca 0.07 -2.82 -0.01 0.00 -2.89 0.00 0.00 54.13 48.48 1je3 s LEU 30 Cb -0.12 -1.22 0.32 0.00 0.66 0.00 0.00 46.19 45.83 1je3 s LEU 30 CO 0.02 -0.24 1.66 0.47 -1.89 0.00 0.00 176.35 176.36 1je3 n ASP 31 N 3.31 6.84 0.00 3.68 8.00 -1.23 -0.59 116.55 136.57 1je3 n ASP 31 Ca 0.09 -3.62 0.00 0.00 0.71 0.00 0.00 54.79 51.96 1je3 n ASP 31 Cb 0.34 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 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 0.25 0.00 -4.15 -1.24 2.81 -0.74 -4.93 117.12 109.13 1je3 n MET 32 Ca 0.41 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.17 1je3 n MET 32 Cb 0.29 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.69 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 2.27 0.76 -1.44 2.03 1.01 -1.26 -3.00 120.40 120.77 1je3 s VAL 33 Ca 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 61.98 60.23 1je3 s VAL 33 Cb 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.12 1je3 s VAL 33 CO 0.00 -0.63 2.22 0.61 0.00 0.00 0.00 175.10 177.30 1je3 n GLY 34 N 0.56 4.35 3.79 4.51 0.00 -1.21 -4.85 105.19 112.34 1je3 n GLY 34 Ca -0.16 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 3.25 4.40 0.46 1.61 2.12 -1.26 -4.88 118.70 124.41 1je3 s GLU 35 Ca 0.47 0.96 0.25 0.00 0.36 0.00 0.00 54.97 57.02 1je3 s GLU 35 Cb 0.14 -3.26 1.08 0.00 0.26 0.00 0.00 34.13 32.34 1je3 s GLU 35 CO -0.08 0.57 1.90 -1.00 -0.54 0.00 0.00 175.26 176.10 1je3 h PRO 36 N 4.57 0.00 -6.86 4.30 0.13 -1.99 -3.45 132.00 128.69 1je3 h PRO 36 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1je3 h PRO 36 Cb 1.21 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.48 1je3 h PRO 36 CO 0.65 0.20 0.40 0.00 -0.23 0.00 0.00 178.00 179.02 1je3 n PRO 38 N -0.41 2.57 0.05 0.00 -0.04 -1.26 -4.27 135.00 131.64 1je3 n PRO 38 Ca 0.09 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.66 1je3 n PRO 38 Cb 0.42 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 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 10.11 -0.77 0.00 0.54 9.36 -1.26 -4.85 117.16 130.30 1je3 n TYR 39 Ca 0.48 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.83 1je3 n TYR 39 Cb 0.45 0.47 0.00 0.00 -0.63 0.00 0.00 39.34 39.63 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1je3 n PRO 40 N -2.87 0.00 0.00 2.98 -0.04 -1.26 -3.44 135.00 130.37 1je3 n PRO 40 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1je3 n PRO 40 Cb 0.04 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1je3 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1je3 n ALA 41 N -1.04 1.48 -0.14 0.55 0.00 -1.26 -3.42 120.51 116.67 1je3 n ALA 41 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1je3 n ALA 41 Cb 0.00 -1.00 0.64 0.00 0.00 0.00 0.00 19.45 19.09 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 0.66 -0.09 0.00 3.04 -1.88 0.10 116.25 118.08 1je3 h VAL 42 Ca 0.00 -0.05 -0.16 0.00 -1.01 0.00 0.00 66.70 65.49 1je3 h VAL 42 Cb 0.01 0.50 0.01 0.00 -2.01 0.00 0.00 31.29 29.80 1je3 h VAL 42 CO 0.00 0.03 -0.55 0.00 -1.01 0.00 0.00 177.57 176.03 1je3 h ALA 43 N 1.63 0.19 -0.63 3.17 0.00 -1.83 -3.04 119.26 118.75 1je3 h ALA 43 Ca 0.38 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1je3 h ALA 43 Cb 1.29 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1je3 h ALA 43 CO -0.06 0.41 0.28 1.15 0.00 0.00 0.00 179.25 181.03 1je3 h THR 44 N 0.13 0.84 0.29 0.00 2.02 -1.10 0.32 112.91 115.41 1je3 h THR 44 Ca -0.04 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1je3 h THR 44 Cb 1.20 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1je3 h THR 44 CO 0.11 0.09 -0.14 -0.07 0.37 0.00 0.00 175.52 175.89 1je3 h LEU 45 N 0.51 -0.33 -0.07 2.58 3.38 -1.45 -2.35 115.31 117.58 1je3 h LEU 45 Ca 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1je3 h LEU 45 Cb 0.32 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1je3 h LEU 45 CO -0.26 -0.08 0.00 -1.84 0.09 0.00 0.00 178.44 176.36 1je3 n GLU 46 N -5.18 0.01 -0.01 1.13 0.28 -1.06 -2.10 120.64 113.72 1je3 n GLU 46 Ca -0.10 0.32 -0.17 0.00 -0.16 0.00 0.00 57.16 57.05 1je3 n GLU 46 Cb 0.23 -1.53 -0.06 0.00 1.43 0.00 0.00 31.44 31.51 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 2.37 0.32 -0.60 -1.84 0.00 0.18 -3.20 119.26 116.49 1je3 h ALA 47 Ca 0.00 -0.62 0.12 0.00 0.00 0.00 0.00 54.91 54.42 1je3 h ALA 47 Cb 0.20 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 1je3 h ALA 47 CO 0.00 0.70 -0.06 1.98 0.00 0.00 0.00 179.25 181.86 1je3 h MET 48 N 0.49 0.06 0.35 0.00 1.85 -1.26 0.30 114.93 116.72 1je3 h MET 48 Ca -0.06 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 1je3 h MET 48 Cb 1.44 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.46 1je3 h MET 48 CO 0.16 0.04 -0.17 -1.35 -0.40 0.00 0.00 176.91 175.20 1je3 h PRO 49 N 0.06 -0.45 -0.56 0.39 0.11 -1.73 -2.82 132.00 127.00 1je3 h PRO 49 Ca 0.31 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1je3 h PRO 49 Cb 0.49 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1je3 h PRO 49 CO -0.56 -0.15 0.00 0.94 -0.21 0.00 0.00 178.00 178.02 1je3 n GLN 50 N -5.17 0.68 -1.01 1.05 7.27 -0.96 -4.90 117.38 114.35 1je3 n GLN 50 Ca -0.10 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.62 1je3 n GLN 50 Cb 0.27 -1.28 0.08 0.00 2.41 0.00 0.00 30.24 31.72 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 0.04 -1.34 0.00 1.69 -0.00 0.10 -4.99 117.00 112.50 1je3 n LEU 51 Ca 0.00 0.40 -0.02 0.00 -0.00 0.00 0.00 56.01 56.39 1je3 n LEU 51 Cb 0.14 -1.09 -0.01 0.00 -0.00 0.00 0.00 43.42 42.46 1je3 n LEU 51 CO 0.00 -4.06 -0.01 0.29 -0.00 0.00 0.00 177.39 173.61 1je3 n LYS 52 N -0.33 0.17 -0.17 1.47 4.76 -1.26 -5.03 118.16 117.77 1je3 n LYS 52 Ca 0.06 -0.29 0.07 0.00 -2.87 0.00 0.00 58.31 55.27 1je3 n LYS 52 Cb 0.53 0.23 0.20 0.00 -1.84 0.00 0.00 35.03 34.14 1je3 n LYS 52 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1je3 n LYS 53 N -0.06 1.84 -2.79 1.97 2.85 -1.26 -4.33 118.16 116.38 1je3 n LYS 53 Ca 0.00 -1.30 -0.10 0.00 -1.05 0.00 0.00 58.31 55.86 1je3 n LYS 53 Cb 0.05 -1.31 0.07 0.00 -0.65 0.00 0.00 35.03 33.20 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1je3 n GLY 54 N 1.10 0.84 3.83 2.58 0.00 -1.26 -4.99 105.19 107.29 1je3 n GLY 54 Ca 0.13 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 0.05 4.19 0.11 1.61 2.12 -1.26 -4.28 118.70 121.24 1je3 s GLU 55 Ca 0.26 0.95 -0.21 0.00 0.36 0.00 0.00 54.97 56.33 1je3 s GLU 55 Cb 0.28 -2.41 0.05 0.00 0.26 0.00 0.00 34.13 32.32 1je3 s GLU 55 CO -0.09 0.12 0.52 0.42 -0.54 0.00 0.00 175.26 175.69 1je3 s ILE 56 N -1.98 0.03 -0.23 -3.70 1.01 -1.26 -0.15 121.20 114.93 1je3 s ILE 56 Ca 0.56 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 1je3 s ILE 56 Cb -0.11 -1.04 0.07 0.00 0.01 0.00 0.00 42.46 41.39 1je3 s ILE 56 CO 0.17 -0.14 0.73 -0.22 0.00 0.00 0.00 174.94 175.48 1je3 s LEU 57 N -2.50 -0.71 -0.03 2.97 2.96 0.20 0.17 118.68 121.73 1je3 s LEU 57 Ca -0.00 1.26 0.05 0.00 -0.22 0.00 0.00 54.13 55.21 1je3 s LEU 57 Cb 0.00 2.44 -0.01 0.00 0.50 0.00 0.00 46.19 49.12 1je3 s LEU 57 CO -0.09 -0.32 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.83 1je3 s GLU 58 N 0.04 1.65 0.01 1.98 2.02 0.58 -1.77 118.70 123.21 1je3 s GLU 58 Ca -0.02 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1je3 s GLU 58 Cb -0.04 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1je3 s GLU 58 CO 0.02 0.33 -0.02 0.08 0.02 0.00 0.00 175.26 175.70 1je3 s VAL 59 N -0.22 0.10 -0.22 2.63 1.01 0.82 -2.27 120.40 122.25 1je3 s VAL 59 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1je3 s VAL 59 Cb -0.09 -0.13 0.11 0.00 0.00 0.00 0.00 36.38 36.26 1je3 s VAL 59 CO 0.01 -0.11 0.27 0.68 0.00 0.00 0.00 175.10 175.95 1je3 s VAL 60 N -0.38 -0.40 0.21 2.92 -7.23 0.25 -1.77 120.40 113.99 1je3 s VAL 60 Ca -0.04 -0.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.98 1je3 s VAL 60 Cb -0.03 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 36.19 1je3 s VAL 60 CO -0.00 -0.20 0.31 -1.54 -0.31 0.00 0.00 175.10 173.36 1je3 n SER 61 N 5.33 -0.87 -4.17 4.85 3.41 -1.17 -1.79 113.62 119.20 1je3 n SER 61 Ca -0.05 -2.06 -0.34 0.00 -0.26 0.00 0.00 58.87 56.17 1je3 n SER 61 Cb 0.49 1.58 -0.15 0.00 -0.26 0.00 0.00 64.21 65.87 1je3 n SER 61 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1je3 s ASP 62 N -2.23 3.47 -0.22 4.04 1.11 -1.16 -2.47 116.67 119.20 1je3 s ASP 62 Ca 0.15 -0.59 -0.03 0.00 0.18 0.00 0.00 52.55 52.26 1je3 s ASP 62 Cb -0.01 -1.55 0.07 0.00 1.07 0.00 0.00 42.92 42.50 1je3 s ASP 62 CO 0.11 -0.01 0.08 0.00 1.18 0.00 0.00 175.17 176.53 1je3 h PRO 64 N 8.31 0.07 0.00 0.00 0.11 -1.97 -3.42 132.00 135.10 1je3 h PRO 64 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1je3 h PRO 64 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1je3 h PRO 64 CO 0.36 0.04 0.00 1.04 -0.21 0.00 0.00 178.00 179.24 1je3 n GLN 65 N -4.42 1.56 -0.01 1.05 3.00 -1.26 -5.04 117.38 112.26 1je3 n GLN 65 Ca 0.08 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.13 1je3 n GLN 65 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.63 1je3 n GLN 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1je3 n SER 66 N -0.81 2.13 -4.67 1.08 2.88 -1.26 -4.98 113.62 107.99 1je3 n SER 66 Ca 0.00 -0.01 -0.47 0.00 -1.33 0.00 0.00 58.87 57.06 1je3 n SER 66 Cb 0.00 1.56 -0.04 0.00 -0.75 0.00 0.00 64.21 64.98 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 -1.92 0.60 -2.48 2.46 5.41 -1.26 -4.93 119.36 117.24 1je3 n ILE 67 Ca -0.02 -0.12 -0.41 0.00 1.00 0.00 0.00 62.75 63.20 1je3 n ILE 67 Cb 0.32 -1.96 -0.04 0.00 -0.71 0.00 0.00 39.64 37.26 1je3 n ILE 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1je3 s ASN 68 N 4.36 7.25 0.00 4.38 -0.87 -1.26 -5.02 114.94 123.77 1je3 s ASN 68 Ca 0.93 2.18 0.00 0.00 -1.57 0.00 0.00 52.86 54.40 1je3 s ASN 68 Cb -0.65 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 37.97 1je3 s ASN 68 CO 0.50 -0.21 0.00 -3.20 -2.57 0.00 0.00 177.10 171.62 1je3 n ASN 69 N 1.89 0.00 -0.17 -1.22 5.15 -1.26 -3.07 115.26 116.58 1je3 n ASN 69 Ca 0.01 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.96 1je3 n ASN 69 Cb 0.45 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.38 -0.88 -1.44 1.08 -1.95 -1.00 117.51 113.70 1je3 h ILE 70 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 1je3 h ILE 70 Cb 0.00 0.38 -0.06 0.00 -3.07 0.00 0.00 36.82 34.06 1je3 h ILE 70 CO 0.00 0.00 0.58 -0.65 -0.69 0.00 0.00 178.15 177.39 1je3 h PRO 71 N -0.06 0.43 -0.91 2.37 0.11 -1.99 -0.41 132.00 131.54 1je3 h PRO 71 Ca 0.25 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.37 1je3 h PRO 71 Cb 0.45 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 1je3 h PRO 71 CO -0.58 0.28 0.59 1.25 -0.21 0.00 0.00 178.00 179.33 1je3 h LEU 72 N 0.44 0.99 0.68 2.35 5.85 -1.10 0.25 115.31 124.77 1je3 h LEU 72 Ca 0.45 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.13 1je3 h LEU 72 Cb 1.06 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.87 1je3 h LEU 72 CO -0.17 0.69 -0.33 0.44 -0.34 0.00 0.00 178.44 178.73 1je3 h ASP 73 N 1.16 -0.77 -0.44 1.25 3.32 -1.06 -0.21 116.42 119.66 1je3 h ASP 73 Ca 0.36 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 1je3 h ASP 73 Cb -0.03 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1je3 h ASP 73 CO -0.11 -0.49 0.19 0.00 -1.72 0.00 0.00 179.24 177.11 1je3 h ALA 74 N -0.76 1.41 -0.08 3.45 0.00 -1.40 -2.07 119.26 119.82 1je3 h ALA 74 Ca -0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1je3 h ALA 74 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1je3 h ALA 74 CO 0.15 0.45 -0.36 0.00 0.00 0.00 0.00 179.25 179.49 1je3 h ARG 75 N 0.70 0.15 0.59 0.00 3.08 -0.41 0.28 114.38 118.78 1je3 h ARG 75 Ca 0.17 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1je3 h ARG 75 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1je3 h ARG 75 CO -0.02 0.50 -0.36 -0.97 -1.07 0.00 0.00 179.97 178.05 1je3 h ASN 76 N 0.13 -0.92 -0.12 7.04 -1.24 -0.29 -3.13 115.58 117.06 1je3 h ASN 76 Ca 0.02 0.05 -0.15 0.00 0.71 0.00 0.00 56.30 56.92 1je3 h ASN 76 Cb 0.70 0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 1je3 h ASN 76 CO 0.05 -0.56 -0.46 0.45 -1.29 0.00 0.00 177.43 175.62 1je3 h HIS 77 N -0.89 0.82 0.00 0.67 3.86 -1.57 -3.49 115.15 114.55 1je3 h HIS 77 Ca -0.08 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1je3 h HIS 77 Cb 0.72 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1je3 h HIS 77 CO -0.05 1.01 0.00 0.41 0.86 0.00 0.00 177.93 180.16 1je3 n GLY 78 N 0.14 1.31 0.00 2.45 0.00 0.95 -5.13 105.19 104.90 1je3 n GLY 78 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 1.66 -0.38 0.00 1.61 4.19 -1.04 -4.97 117.16 118.23 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 -0.13 0.00 -4.22 2.97 -1.04 -1.26 -4.91 114.28 105.69 1je3 n THR 80 Ca 0.00 0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.94 1je3 n THR 80 Cb 0.00 -0.85 -0.15 0.00 -1.82 0.00 0.00 70.33 67.50 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 -0.52 2.62 -0.36 12.58 1.01 -0.02 -5.01 120.40 130.70 1je3 s VAL 81 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1je3 s VAL 81 Cb 0.00 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.36 1je3 s VAL 81 CO 0.00 0.50 0.13 -0.76 0.00 0.00 0.00 175.10 174.97 1je3 s LEU 82 N 1.16 2.94 -0.00 3.92 2.01 -1.26 -2.02 118.68 125.43 1je3 s LEU 82 Ca 0.01 -2.04 0.05 0.00 0.01 0.00 0.00 54.13 52.16 1je3 s LEU 82 Cb -0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 46.19 44.95 1je3 s LEU 82 CO -0.06 -0.36 -0.15 -1.81 1.01 0.00 0.00 176.35 174.98 1je3 s ASP 83 N 1.09 1.77 0.10 2.29 1.11 -0.89 -5.05 116.67 117.08 1je3 s ASP 83 Ca 0.12 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.55 1je3 s ASP 83 Cb -0.20 -0.18 -0.04 0.00 1.07 0.00 0.00 42.92 43.57 1je3 s ASP 83 CO -0.14 0.16 -0.02 0.27 1.18 0.00 0.00 175.17 176.61 1je3 s ILE 84 N -0.44 0.43 0.05 0.77 -0.00 -1.26 -1.59 121.20 119.16 1je3 s ILE 84 Ca 0.05 -1.90 -0.11 0.00 -0.00 0.00 0.00 60.65 58.70 1je3 s ILE 84 Cb -0.06 -1.77 0.01 0.00 -0.00 0.00 0.00 42.46 40.64 1je3 s ILE 84 CO -0.00 -0.78 0.23 -1.58 -0.00 0.00 0.00 174.94 172.82 1je3 s GLN 85 N -3.91 0.78 0.12 0.37 0.74 -0.17 -5.02 119.66 112.56 1je3 s GLN 85 Ca 0.14 -0.67 0.08 0.00 0.05 0.00 0.00 55.36 54.97 1je3 s GLN 85 Cb 0.07 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.46 1je3 s GLN 85 CO -0.04 -0.24 -0.20 -0.65 -0.55 0.00 0.00 175.29 173.61 1je3 s GLN 86 N -2.89 1.17 0.00 1.67 -0.21 -1.26 -1.13 119.66 117.02 1je3 s GLN 86 Ca -0.03 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1je3 s GLN 86 Cb 0.00 -1.37 0.00 0.00 1.00 0.00 0.00 33.01 32.64 1je3 s GLN 86 CO -0.06 0.31 0.00 -3.47 -2.12 0.00 0.00 175.29 169.95 1je3 n ASP 87 N 0.83 0.00 0.00 5.90 -0.08 -1.21 -4.99 116.55 117.00 1je3 n ASP 87 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1je3 n ASP 87 Cb 0.55 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 3.64 0.36 0.20 0.27 0.00 -1.26 -4.95 105.19 103.46 1je3 n GLY 88 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.03 1.04 -3.14 1.61 -0.04 -1.26 -4.91 135.00 128.28 1je3 n PRO 89 Ca 0.00 -0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 62.94 1je3 n PRO 89 Cb 0.00 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 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 -0.62 0.00 -3.70 0.52 -2.24 -1.26 -4.75 114.28 102.23 1je3 n THR 90 Ca 0.18 -1.20 -0.14 0.00 -2.27 0.00 0.00 64.05 60.61 1je3 n THR 90 Cb 0.27 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.55 0.04 -0.06 2.28 2.07 -1.03 -3.29 121.20 118.66 1je3 s ILE 91 Ca 0.17 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 59.10 1je3 s ILE 91 Cb 0.01 -0.71 -0.00 0.00 0.13 0.00 0.00 42.46 41.89 1je3 s ILE 91 CO 0.12 -0.19 -0.20 -0.60 -1.91 0.00 0.00 174.94 172.15 1je3 s ARG 92 N -1.29 2.30 0.07 3.50 6.06 -0.28 -3.05 118.95 126.25 1je3 s ARG 92 Ca -0.13 -0.73 0.08 0.00 -2.50 0.00 0.00 55.73 52.45 1je3 s ARG 92 Cb -0.04 -1.89 -0.03 0.00 0.06 0.00 0.00 34.95 33.06 1je3 s ARG 92 CO 0.06 0.24 -0.22 0.71 -2.50 0.00 0.00 175.30 173.58 1je3 s TYR 93 N 0.14 1.91 -0.20 5.12 1.51 -0.73 -1.00 117.35 124.10 1je3 s TYR 93 Ca -0.09 -0.39 -0.17 0.00 -1.01 0.00 0.00 57.07 55.41 1je3 s TYR 93 Cb -0.14 -1.10 0.06 0.00 -0.11 0.00 0.00 41.96 40.66 1je3 s TYR 93 CO 0.04 0.15 0.53 -0.48 -1.11 0.00 0.00 175.55 174.68 1je3 s LEU 94 N -1.45 -0.14 0.09 -1.29 2.34 -0.62 -0.12 118.68 117.48 1je3 s LEU 94 Ca 0.08 1.09 0.05 0.00 0.06 0.00 0.00 54.13 55.41 1je3 s LEU 94 Cb -0.09 1.81 -0.03 0.00 -0.56 0.00 0.00 46.19 47.31 1je3 s LEU 94 CO 0.03 -0.19 -0.12 0.27 -1.06 0.00 0.00 176.35 175.28 1je3 s ILE 95 N 0.61 1.06 0.25 1.48 -5.25 -0.73 -2.10 121.20 116.52 1je3 s ILE 95 Ca -0.03 -1.54 -0.15 0.00 -0.99 0.00 0.00 60.65 57.95 1je3 s ILE 95 Cb -0.05 -1.28 0.00 0.00 2.95 0.00 0.00 42.46 44.09 1je3 s ILE 95 CO -0.04 -0.42 0.54 0.00 -1.79 0.00 0.00 174.94 173.23 1je3 s GLN 96 N -2.41 1.58 0.00 0.37 -2.07 -0.86 0.60 119.66 116.88 1je3 s GLN 96 Ca 0.03 -1.15 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1je3 s GLN 96 Cb -0.06 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1je3 s GLN 96 CO 0.01 -0.68 0.41 1.17 -1.32 0.00 0.00 175.29 174.89