#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 s VAL 2 N 0.00 4.32 0.54 2.97 -7.23 -1.26 -5.00 120.40 114.74 2kj4 s VAL 2 Ca 0.00 -0.19 0.09 0.00 -1.81 0.00 0.00 61.98 60.07 2kj4 s VAL 2 Cb 0.00 -4.65 0.06 0.00 0.56 0.00 0.00 36.38 32.35 2kj4 s VAL 2 CO 0.00 -1.38 0.69 -1.61 -0.31 0.00 0.00 175.10 172.49 2kj4 s GLU 3 N 4.08 2.40 0.47 4.82 0.41 -1.26 -5.13 118.70 124.49 2kj4 s GLU 3 Ca 0.24 -1.61 0.02 0.00 -0.41 0.00 0.00 54.97 53.22 2kj4 s GLU 3 Cb -0.16 -2.59 -0.02 0.00 -1.78 0.00 0.00 34.13 29.58 2kj4 s GLU 3 CO 0.12 -0.70 0.07 -0.06 -0.49 0.00 0.00 175.26 174.20 2kj4 s PHE 4 N -2.61 1.81 -0.36 1.61 0.08 -1.26 -5.00 117.98 112.25 2kj4 s PHE 4 Ca 0.57 -1.14 0.22 0.00 0.12 0.00 0.00 56.93 56.70 2kj4 s PHE 4 Cb -0.06 -1.38 0.23 0.00 -0.57 0.00 0.00 43.02 41.24 2kj4 s PHE 4 CO 0.35 -0.05 1.47 1.03 -0.10 0.00 0.00 175.22 177.93 2kj4 h SER 5 N 1.54 0.00 -3.76 1.36 0.87 -2.02 -3.50 113.55 108.04 2kj4 h SER 5 Ca -0.39 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.26 2kj4 h SER 5 Cb 1.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 2kj4 h SER 5 CO 0.65 0.09 -0.13 1.21 -0.53 0.00 0.00 176.83 178.11 2kj4 n GLU 6 N -3.04 -0.72 -2.63 2.24 2.13 -1.26 -4.93 120.64 112.43 2kj4 n GLU 6 Ca 0.03 0.48 -0.17 0.00 0.66 0.00 0.00 57.16 58.16 2kj4 n GLU 6 Cb 0.57 -0.88 -0.00 0.00 0.27 0.00 0.00 31.44 31.40 2kj4 n GLU 6 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2kj4 n GLU 7 N -1.77 -2.58 -4.41 5.31 0.28 -1.26 -4.96 120.64 111.25 2kj4 n GLU 7 Ca 0.00 0.69 -0.35 0.00 -0.16 0.00 0.00 57.16 57.35 2kj4 n GLU 7 Cb 0.16 -5.35 -0.10 0.00 1.43 0.00 0.00 31.44 27.59 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kj4 s MET 9 N -0.91 3.68 -0.13 0.00 1.75 0.19 -4.45 119.30 119.43 2kj4 s MET 9 Ca 0.13 0.08 -0.29 0.00 -1.25 0.00 0.00 55.69 54.37 2kj4 s MET 9 Cb -0.11 -3.22 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 2kj4 s MET 9 CO 0.03 0.71 1.63 -3.38 -0.65 0.00 0.00 175.02 173.35 2kj4 s HIS 10 N -0.94 2.07 0.00 4.11 -3.43 -1.23 0.31 115.29 116.17 2kj4 s HIS 10 Ca 0.18 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.84 2kj4 s HIS 10 Cb -0.14 -3.91 0.00 0.00 -1.43 0.00 0.00 32.58 27.10 2kj4 s HIS 10 CO 0.07 -3.35 0.00 0.41 -2.00 0.00 0.00 174.74 169.87 2kj4 n GLY 11 N 4.34 0.47 0.37 -1.38 0.00 -0.15 -3.67 105.19 105.17 2kj4 n GLY 11 Ca 0.18 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.30 2kj4 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kj4 n SER 12 N 3.67 1.28 0.00 1.61 3.41 -1.26 -4.63 113.62 117.70 2kj4 n SER 12 Ca 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2kj4 n SER 12 Cb 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2kj4 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kj4 n GLY 13 N 1.26 1.81 0.37 5.00 0.00 -1.24 -4.58 105.19 107.81 2kj4 n GLY 13 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 2kj4 n GLY 13 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kj4 h GLU 14 N 2.83 1.13 -0.70 1.61 5.08 -1.86 -2.31 114.58 120.37 2kj4 h GLU 14 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2kj4 h GLU 14 Cb 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 2kj4 h GLU 14 CO 0.00 0.75 0.00 0.09 -1.00 0.00 0.00 179.01 178.85 2kj4 n ASN 15 N -4.45 3.76 -4.70 1.42 3.02 -1.26 -4.38 115.26 108.66 2kj4 n ASN 15 Ca 0.13 -2.50 -0.42 0.00 -0.03 0.00 0.00 54.58 51.76 2kj4 n ASN 15 Cb 0.12 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kj4 s TYR 16 N -2.00 2.45 0.00 3.10 5.04 -0.87 -4.86 117.35 120.22 2kj4 s TYR 16 Ca 0.34 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 2kj4 s TYR 16 Cb 0.25 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.46 2kj4 s TYR 16 CO 0.12 -4.37 0.53 -0.40 -1.34 0.00 0.00 175.55 170.10 2kj4 n ASP 17 N 5.16 1.05 -4.67 4.32 5.75 -1.26 -4.92 116.55 121.98 2kj4 n ASP 17 Ca 0.16 -1.15 -0.29 0.00 -0.01 0.00 0.00 54.79 53.50 2kj4 n ASP 17 Cb 0.38 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.64 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2kj4 s GLY 18 N -0.15 1.58 -0.98 6.12 0.00 -1.26 -4.96 107.32 107.67 2kj4 s GLY 18 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 2kj4 s GLY 18 CO 0.00 0.35 1.60 0.28 0.00 0.00 0.00 173.10 175.33 2kj4 n LYS 19 N -4.16 4.85 -3.84 2.90 5.02 -1.26 -4.83 118.16 116.84 2kj4 n LYS 19 Ca 0.06 -4.66 -0.36 0.00 -2.02 0.00 0.00 58.31 51.33 2kj4 n LYS 19 Cb 0.56 -2.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.02 2kj4 n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kj4 s ILE 20 N -3.88 4.86 -0.01 -0.18 1.01 -1.26 -4.94 121.20 116.80 2kj4 s ILE 20 Ca 0.38 0.00 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2kj4 s ILE 20 Cb 0.16 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.41 2kj4 s ILE 20 CO -0.06 0.39 0.90 -1.54 0.00 0.00 0.00 174.94 174.63 2kj4 n SER 21 N 4.13 1.57 -4.44 3.58 3.41 -1.26 -0.19 113.62 120.41 2kj4 n SER 21 Ca -0.16 -1.85 -0.28 0.00 -0.26 0.00 0.00 58.87 56.32 2kj4 n SER 21 Cb 0.52 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 2kj4 n SER 21 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kj4 s LYS 22 N -0.88 1.60 0.00 4.33 1.02 -1.26 -0.20 119.74 124.35 2kj4 s LYS 22 Ca 0.02 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.60 2kj4 s LYS 22 Cb 0.02 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2kj4 s LYS 22 CO 0.00 0.43 0.00 0.25 -0.92 0.00 0.00 175.35 175.11 2kj4 n THR 23 N 0.46 0.00 0.22 2.17 -2.24 -0.12 -4.86 114.28 109.90 2kj4 n THR 23 Ca -0.14 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.70 2kj4 n THR 23 Cb 0.55 -1.28 0.50 0.00 -2.10 0.00 0.00 70.33 68.00 2kj4 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kj4 h MET 24 N 0.00 0.00 -0.01 -0.78 -0.00 -0.51 0.04 114.93 113.67 2kj4 h MET 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kj4 h MET 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kj4 h MET 24 CO 0.00 0.23 -0.21 0.43 -0.00 0.00 0.00 176.91 177.36 2kj4 n SER 25 N -4.07 1.12 0.00 -0.10 7.64 -1.26 -4.89 113.62 112.05 2kj4 n SER 25 Ca -0.02 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2kj4 n SER 25 Cb 0.30 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2kj4 n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj4 n GLY 26 N 1.31 0.57 3.80 0.23 0.00 0.00 -5.04 105.19 106.07 2kj4 n GLY 26 Ca 0.13 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2kj4 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kj4 s LEU 27 N 0.00 3.20 0.06 0.99 1.43 -1.26 -4.58 118.68 118.52 2kj4 s LEU 27 Ca 0.00 1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 54.62 2kj4 s LEU 27 Cb 0.00 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.64 2kj4 s LEU 27 CO 0.00 -1.52 0.61 -0.70 0.23 0.00 0.00 176.35 174.97 2kj4 s GLU 28 N -4.76 4.29 0.27 1.70 2.12 -1.26 -0.95 118.70 120.11 2kj4 s GLU 28 Ca 0.60 0.81 -0.15 0.00 0.36 0.00 0.00 54.97 56.59 2kj4 s GLU 28 Cb -0.15 -3.27 -0.08 0.00 0.26 0.00 0.00 34.13 30.88 2kj4 s GLU 28 CO 0.51 0.55 0.70 0.00 -0.54 0.00 0.00 175.26 176.47 2kj4 s GLN 30 N -2.64 4.16 0.20 0.00 0.74 0.12 -4.71 119.66 117.53 2kj4 s GLN 30 Ca 0.49 0.57 -0.32 0.00 0.05 0.00 0.00 55.36 56.15 2kj4 s GLN 30 Cb -0.12 -3.29 -0.12 0.00 1.10 0.00 0.00 33.01 30.57 2kj4 s GLN 30 CO 0.19 0.50 1.69 0.00 -0.55 0.00 0.00 175.29 177.12 2kj4 n ALA 31 N 2.35 2.50 0.05 1.58 0.00 -1.26 -4.53 120.51 121.20 2kj4 n ALA 31 Ca -0.10 0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.86 2kj4 n ALA 31 Cb 0.51 -2.48 0.57 0.00 0.00 0.00 0.00 19.45 18.05 2kj4 n ALA 31 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2kj4 h TRP 32 N 6.55 0.22 -0.30 0.00 4.06 -0.76 -0.42 115.95 125.30 2kj4 h TRP 32 Ca -0.44 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.52 2kj4 h TRP 32 Cb 1.21 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2kj4 h TRP 32 CO 0.64 0.12 0.00 -0.40 -3.56 0.00 0.00 178.44 175.23 2kj4 n ASP 33 N -4.47 2.24 -4.06 -3.49 5.75 -1.26 -4.54 116.55 106.72 2kj4 n ASP 33 Ca 0.05 -2.15 -0.28 0.00 -0.01 0.00 0.00 54.79 52.40 2kj4 n ASP 33 Cb 0.29 -0.35 -0.17 0.00 -1.03 0.00 0.00 41.12 39.87 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kj4 s SER 34 N -0.77 2.41 -0.26 -1.12 0.15 -0.17 -5.00 113.70 108.94 2kj4 s SER 34 Ca 0.23 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.54 2kj4 s SER 34 Cb 0.14 -1.08 0.62 0.00 -1.71 0.00 0.00 66.02 63.99 2kj4 s SER 34 CO 0.12 0.02 1.61 0.00 1.20 0.00 0.00 173.24 176.20 2kj4 n GLN 35 N 4.13 3.31 -3.78 5.44 1.13 -1.26 -4.71 117.38 121.64 2kj4 n GLN 35 Ca -0.19 -2.51 -0.14 0.00 -1.94 0.00 0.00 57.00 52.21 2kj4 n GLN 35 Cb 0.51 -2.06 -0.16 0.00 0.11 0.00 0.00 30.24 28.65 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2kj4 s SER 36 N -0.72 0.04 0.07 1.08 0.01 -1.26 -3.11 113.70 109.80 2kj4 s SER 36 Ca 0.45 0.08 0.09 0.00 1.31 0.00 0.00 55.95 57.88 2kj4 s SER 36 Cb 0.36 -0.02 -0.21 0.00 0.21 0.00 0.00 66.02 66.35 2kj4 s SER 36 CO 0.11 -0.12 1.09 1.55 0.41 0.00 0.00 173.24 176.29 2kj4 h PRO 37 N 7.16 0.00 -6.22 12.44 0.13 -1.89 -3.46 132.00 140.16 2kj4 h PRO 37 Ca -0.43 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.10 2kj4 h PRO 37 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 2kj4 h PRO 37 CO 0.47 0.84 0.62 -1.01 -0.23 0.00 0.00 178.00 178.69 2kj4 s HIS 38 N -2.68 2.91 0.10 1.56 3.76 -1.26 -5.01 115.29 114.67 2kj4 s HIS 38 Ca -0.01 0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 55.02 2kj4 s HIS 38 Cb 0.09 -4.03 -0.07 0.00 1.11 0.00 0.00 32.58 29.69 2kj4 s HIS 38 CO 0.82 -1.12 1.25 0.00 -0.85 0.00 0.00 174.74 174.83 2kj4 s ALA 39 N 3.84 3.45 -0.09 -1.40 0.00 -1.18 -4.53 121.76 121.84 2kj4 s ALA 39 Ca 0.38 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 2kj4 s ALA 39 Cb -0.10 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.62 2kj4 s ALA 39 CO 0.27 -0.47 0.56 -3.38 0.00 0.00 0.00 175.76 172.74 2kj4 s HIS 40 N 0.85 -0.54 -0.82 0.00 -3.43 -1.26 -5.04 115.29 105.05 2kj4 s HIS 40 Ca 0.59 1.05 0.03 0.00 -0.80 0.00 0.00 55.06 55.93 2kj4 s HIS 40 Cb -0.32 0.27 0.17 0.00 -1.43 0.00 0.00 32.58 31.27 2kj4 s HIS 40 CO 0.31 -0.46 0.77 0.41 -2.00 0.00 0.00 174.74 173.77 2kj4 n GLY 41 N 1.59 1.83 3.31 -1.38 0.00 -1.26 -4.50 105.19 104.79 2kj4 n GLY 41 Ca -0.18 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 2kj4 n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kj4 n TYR 42 N 0.13 4.92 -3.07 1.61 4.02 -1.26 -4.97 117.16 118.54 2kj4 n TYR 42 Ca 0.06 -3.70 -0.40 0.00 -0.01 0.00 0.00 57.90 53.84 2kj4 n TYR 42 Cb 0.46 -1.72 -0.05 0.00 -0.02 0.00 0.00 39.34 38.00 2kj4 n TYR 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2kj4 s ILE 43 N -1.11 4.99 0.39 -0.72 1.01 -1.26 -4.65 121.20 119.86 2kj4 s ILE 43 Ca 0.32 1.30 0.13 0.00 0.00 0.00 0.00 60.65 62.40 2kj4 s ILE 43 Cb -0.07 -3.99 0.12 0.00 0.01 0.00 0.00 42.46 38.52 2kj4 s ILE 43 CO -0.05 0.11 1.87 -0.65 0.00 0.00 0.00 174.94 176.22 2kj4 h PRO 44 N 7.37 0.01 0.00 2.79 0.11 -1.82 -2.39 132.00 138.07 2kj4 h PRO 44 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kj4 h PRO 44 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kj4 h PRO 44 CO 0.79 0.33 0.00 0.66 -0.21 0.00 0.00 178.00 179.56 2kj4 h SER 45 N 0.01 0.00 0.00 -2.05 4.64 -1.93 -2.57 113.55 111.65 2kj4 h SER 45 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kj4 h SER 45 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2kj4 h SER 45 CO 0.04 0.00 -0.89 2.29 -0.87 0.00 0.00 176.83 177.40 2kj4 n LYS 46 N -2.84 1.07 -3.26 4.77 2.85 -0.96 -4.57 118.16 115.22 2kj4 n LYS 46 Ca 0.03 -0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 57.03 2kj4 n LYS 46 Cb 0.38 -1.35 -0.07 0.00 -0.65 0.00 0.00 35.03 33.34 2kj4 n LYS 46 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2kj4 n PHE 47 N -1.46 1.98 0.14 5.58 3.72 -0.94 -4.91 117.46 121.57 2kj4 n PHE 47 Ca 0.03 -3.90 0.01 0.00 -0.05 0.00 0.00 57.45 53.54 2kj4 n PHE 47 Cb 0.29 -0.46 0.12 0.00 -0.94 0.00 0.00 39.48 38.48 2kj4 n PHE 47 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kj4 h PRO 48 N 3.85 0.00 0.00 -1.08 0.13 -1.77 -3.27 132.00 129.86 2kj4 h PRO 48 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 2kj4 h PRO 48 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kj4 h PRO 48 CO 0.67 0.57 -0.08 -0.97 -0.23 0.00 0.00 178.00 177.96 2kj4 h ASN 49 N 0.00 0.00 -0.63 1.44 -0.00 -1.90 -1.04 115.58 113.45 2kj4 h ASN 49 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 2kj4 h ASN 49 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 2kj4 h ASN 49 CO 0.07 0.08 0.00 0.29 -0.00 0.00 0.00 177.43 177.88 2kj4 n LYS 50 N -4.30 4.19 -3.88 6.67 4.76 -1.23 -4.93 118.16 119.43 2kj4 n LYS 50 Ca -0.03 -3.01 -0.28 0.00 -2.87 0.00 0.00 58.31 52.12 2kj4 n LYS 50 Cb 0.16 -2.04 0.02 0.00 -1.84 0.00 0.00 35.03 31.34 2kj4 n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2kj4 n ASN 51 N 0.94 -3.84 -4.56 4.39 5.15 -0.39 -4.69 115.26 112.26 2kj4 n ASN 51 Ca 0.27 -0.80 -0.36 0.00 -0.60 0.00 0.00 54.58 53.08 2kj4 n ASN 51 Cb 1.01 -3.86 -0.04 0.00 -0.53 0.00 0.00 39.78 36.36 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kj4 s LEU 52 N -7.15 3.38 0.08 1.20 2.96 -1.25 -4.94 118.68 112.95 2kj4 s LEU 52 Ca 0.50 -1.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.38 2kj4 s LEU 52 Cb -0.25 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 2kj4 s LEU 52 CO 0.83 -1.93 -0.25 -0.54 -1.32 0.00 0.00 176.35 173.14 2kj4 s LYS 53 N 5.69 1.72 2.45 1.98 -0.14 -1.26 -4.64 119.74 125.54 2kj4 s LYS 53 Ca 0.54 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 2kj4 s LYS 53 Cb -0.03 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 2kj4 s LYS 53 CO -0.05 0.49 0.00 1.63 -0.76 0.00 0.00 175.35 176.66 2kj4 n LYS 54 N 1.41 0.00 -0.57 1.68 5.02 -1.26 -2.15 118.16 122.28 2kj4 n LYS 54 Ca -0.17 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.18 2kj4 n LYS 54 Cb 0.52 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.69 2kj4 n LYS 54 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kj4 n ASN 55 N 3.33 1.68 -4.74 4.39 6.94 -1.26 -0.01 115.26 125.58 2kj4 n ASN 55 Ca 0.00 -3.34 -0.40 0.00 -0.02 0.00 0.00 54.58 50.83 2kj4 n ASN 55 Cb 0.00 -0.45 -0.05 0.00 -2.36 0.00 0.00 39.78 36.91 2kj4 n ASN 55 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kj4 s TYR 56 N -2.54 3.68 0.07 -2.53 2.02 -0.91 -4.46 117.35 112.67 2kj4 s TYR 56 Ca 0.34 1.34 -0.33 0.00 -0.37 0.00 0.00 57.07 58.04 2kj4 s TYR 56 Cb 0.33 -2.76 -0.12 0.00 -0.40 0.00 0.00 41.96 39.01 2kj4 s TYR 56 CO -0.05 0.24 1.76 0.00 -1.57 0.00 0.00 175.55 175.93 2kj4 s ARG 58 N 2.54 1.66 -0.47 0.00 1.81 -0.71 -4.82 118.95 118.97 2kj4 s ARG 58 Ca 0.84 -1.95 0.05 0.00 -1.72 0.00 0.00 55.73 52.95 2kj4 s ARG 58 Cb -0.62 -0.30 0.19 0.00 -0.45 0.00 0.00 34.95 33.76 2kj4 s ARG 58 CO 0.42 -0.41 0.42 -1.71 -0.68 0.00 0.00 175.30 173.33 2kj4 n ASN 59 N -0.95 0.39 0.08 0.23 5.15 -1.22 -1.30 115.26 117.65 2kj4 n ASN 59 Ca -0.01 -2.61 -0.18 0.00 -0.60 0.00 0.00 54.58 51.18 2kj4 n ASN 59 Cb 0.65 -0.61 -0.14 0.00 -0.53 0.00 0.00 39.78 39.15 2kj4 n ASN 59 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2kj4 h PRO 60 N 5.24 0.28 -0.26 1.20 0.13 -1.87 -3.28 132.00 133.44 2kj4 h PRO 60 Ca 0.21 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kj4 h PRO 60 Cb 0.87 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2kj4 h PRO 60 CO 0.46 1.17 0.00 -0.40 -0.23 0.00 0.00 178.00 179.01 2kj4 n ASP 61 N -3.50 2.35 -3.16 1.44 5.68 -1.26 -4.94 116.55 113.16 2kj4 n ASP 61 Ca -0.15 -1.84 -0.14 0.00 -0.50 0.00 0.00 54.79 52.16 2kj4 n ASP 61 Cb 1.05 -0.17 0.06 0.00 -1.14 0.00 0.00 41.12 40.92 2kj4 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kj4 n ARG 62 N 0.77 -2.12 0.00 0.11 1.74 -1.25 -5.04 116.66 110.88 2kj4 n ARG 62 Ca 0.17 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 2kj4 n ARG 62 Cb 0.43 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 2kj4 n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kj4 n ASP 63 N -3.11 -0.09 -0.09 0.55 -0.08 -1.26 -4.97 116.55 107.50 2kj4 n ASP 63 Ca -0.06 -0.72 -0.14 0.00 -1.51 0.00 0.00 54.79 52.36 2kj4 n ASP 63 Cb 0.61 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.03 2kj4 n ASP 63 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2kj4 h LEU 64 N 0.00 0.89 -7.34 -2.67 4.07 -1.97 -3.46 115.31 104.84 2kj4 h LEU 64 Ca 0.00 -0.51 -0.07 0.00 0.08 0.00 0.00 57.88 57.38 2kj4 h LEU 64 Cb 0.00 -0.25 -0.16 0.00 1.08 0.00 0.00 40.66 41.33 2kj4 h LEU 64 CO 0.00 1.23 -0.07 0.00 -1.08 0.00 0.00 178.44 178.52 2kj4 s ARG 65 N -4.22 0.97 0.82 1.13 1.70 -1.26 -5.10 118.95 113.00 2kj4 s ARG 65 Ca -0.11 -0.39 -0.16 0.00 -0.47 0.00 0.00 55.73 54.59 2kj4 s ARG 65 Cb 0.10 0.44 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 2kj4 s ARG 65 CO 0.87 -0.35 -0.09 -2.30 -1.08 0.00 0.00 175.30 172.35 2kj4 n PRO 66 N 0.36 0.02 -3.83 3.89 -0.02 -1.26 -4.74 135.00 129.42 2kj4 n PRO 66 Ca -0.18 0.03 -0.07 0.00 -2.02 0.00 0.00 63.50 61.26 2kj4 n PRO 66 Cb 0.61 -1.39 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 2kj4 n PRO 66 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2kj4 s TRP 67 N -2.05 -0.09 0.09 6.00 1.48 -0.42 -0.04 118.94 123.90 2kj4 s TRP 67 Ca 0.53 -0.40 -0.22 0.00 -1.06 0.00 0.00 56.10 54.95 2kj4 s TRP 67 Cb -0.29 0.73 0.06 0.00 -1.16 0.00 0.00 33.47 32.81 2kj4 s TRP 67 CO 0.70 -1.26 0.53 0.00 -4.06 0.00 0.00 176.95 172.87 2kj4 s PHE 69 N -3.00 3.70 0.36 0.00 0.08 -1.26 -1.22 117.98 116.64 2kj4 s PHE 69 Ca -0.02 1.78 -0.03 0.00 0.12 0.00 0.00 56.93 58.78 2kj4 s PHE 69 Cb -0.00 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 2kj4 s PHE 69 CO -0.06 -0.09 0.62 0.95 -0.10 0.00 0.00 175.22 176.53 2kj4 s THR 70 N -1.29 5.02 -0.57 0.64 -4.23 -1.16 0.13 115.64 114.18 2kj4 s THR 70 Ca 0.46 -0.10 0.24 0.00 -1.18 0.00 0.00 61.69 61.11 2kj4 s THR 70 Cb -0.27 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 69.88 2kj4 s THR 70 CO 0.34 -0.55 1.40 0.71 -0.54 0.00 0.00 174.62 175.97 2kj4 h THR 71 N 0.83 0.00 -2.94 3.99 1.35 -1.37 -3.39 112.91 111.37 2kj4 h THR 71 Ca -0.48 -0.63 -0.53 0.00 -0.55 0.00 0.00 66.41 64.21 2kj4 h THR 71 Cb 1.20 1.33 0.02 0.00 -1.73 0.00 0.00 68.15 68.97 2kj4 h THR 71 CO 0.63 0.00 0.78 -0.62 -0.25 0.00 0.00 175.52 176.06 2kj4 s ASP 72 N -4.70 6.80 0.03 5.36 2.15 -1.26 -4.91 116.67 120.13 2kj4 s ASP 72 Ca 0.06 2.30 0.22 0.00 0.43 0.00 0.00 52.55 55.56 2kj4 s ASP 72 Cb 0.12 -2.58 0.91 0.00 -0.30 0.00 0.00 42.92 41.07 2kj4 s ASP 72 CO 0.70 -0.70 1.70 -2.65 -0.17 0.00 0.00 175.17 174.05 2kj4 n PRO 73 N 4.44 0.03 0.02 4.34 -0.02 -1.26 -3.34 135.00 139.21 2kj4 n PRO 73 Ca 0.12 0.16 -0.22 0.00 -2.02 0.00 0.00 63.50 61.54 2kj4 n PRO 73 Cb 0.42 -1.54 -0.14 0.00 -0.02 0.00 0.00 33.50 32.22 2kj4 n PRO 73 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kj4 h ASN 74 N 0.00 0.42 -3.46 2.55 -1.24 -1.98 -3.44 115.58 108.43 2kj4 h ASN 74 Ca 0.00 -0.87 -0.54 0.00 0.71 0.00 0.00 56.30 55.60 2kj4 h ASN 74 Cb 0.39 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 2kj4 h ASN 74 CO 0.00 1.64 0.17 -0.54 -1.29 0.00 0.00 177.43 177.41 2kj4 s LYS 75 N -2.49 4.53 0.06 6.67 -0.14 -1.21 -4.92 119.74 122.23 2kj4 s LYS 75 Ca -0.19 1.11 0.03 0.00 -1.36 0.00 0.00 55.97 55.56 2kj4 s LYS 75 Cb 0.04 -3.33 -0.24 0.00 -1.68 0.00 0.00 37.83 32.63 2kj4 s LYS 75 CO 0.78 0.39 1.05 -0.09 -0.76 0.00 0.00 175.35 176.72 2kj4 h ARG 76 N 5.16 0.11 -2.78 1.68 2.43 -1.86 -3.43 114.38 115.70 2kj4 h ARG 76 Ca -0.45 -0.19 0.10 0.00 -0.81 0.00 0.00 59.98 58.63 2kj4 h ARG 76 Cb 1.21 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 2kj4 h ARG 76 CO 0.69 0.99 0.33 1.67 -1.51 0.00 0.00 179.97 182.14 2kj4 s TRP 77 N -2.66 -0.13 0.13 2.20 1.48 -1.26 -3.00 118.94 115.71 2kj4 s TRP 77 Ca -0.03 -0.31 -0.12 0.00 -1.06 0.00 0.00 56.10 54.58 2kj4 s TRP 77 Cb 0.08 0.70 0.01 0.00 -1.16 0.00 0.00 33.47 33.11 2kj4 s TRP 77 CO 0.84 -1.14 0.31 -2.00 -4.06 0.00 0.00 176.95 170.91 2kj4 s GLU 78 N -3.47 1.04 0.56 3.25 2.12 -0.36 -4.80 118.70 117.04 2kj4 s GLU 78 Ca 0.12 -0.92 -0.11 0.00 0.36 0.00 0.00 54.97 54.43 2kj4 s GLU 78 Cb -0.04 0.41 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 2kj4 s GLU 78 CO 0.06 -0.38 0.96 0.71 -0.54 0.00 0.00 175.26 176.06 2kj4 s TYR 79 N -3.87 3.58 -0.15 5.30 2.02 -1.26 -1.18 117.35 121.80 2kj4 s TYR 79 Ca 0.07 1.20 -0.03 0.00 -0.37 0.00 0.00 57.07 57.95 2kj4 s TYR 79 Cb 0.03 -2.63 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 2kj4 s TYR 79 CO -0.08 -0.52 -0.06 0.00 -1.57 0.00 0.00 175.55 173.32 2kj4 s ASP 81 N 0.38 6.76 -0.17 0.00 2.15 -1.26 -4.48 116.67 120.05 2kj4 s ASP 81 Ca -0.05 -2.32 0.01 0.00 0.43 0.00 0.00 52.55 50.62 2kj4 s ASP 81 Cb -0.15 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2kj4 s ASP 81 CO 0.03 -1.00 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.28 2kj4 s ILE 82 N 2.54 1.63 0.83 4.11 1.01 -1.26 -5.00 121.20 125.05 2kj4 s ILE 82 Ca 0.37 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 2kj4 s ILE 82 Cb -0.04 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.86 2kj4 s ILE 82 CO -0.06 0.32 0.82 -2.65 0.00 0.00 0.00 174.94 173.37 2kj4 n PRO 83 N 4.72 0.06 -5.05 2.79 -0.02 -1.26 -4.83 135.00 131.42 2kj4 n PRO 83 Ca -0.16 0.08 -0.29 0.00 -2.02 0.00 0.00 63.50 61.12 2kj4 n PRO 83 Cb 0.48 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 2kj4 n PRO 83 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2kj4 s ARG 84 N -3.66 2.15 0.13 -0.52 1.70 -1.26 0.56 118.95 118.05 2kj4 s ARG 84 Ca 0.67 -0.76 0.10 0.00 -0.47 0.00 0.00 55.73 55.27 2kj4 s ARG 84 Cb -0.28 -1.85 -0.04 0.00 -0.57 0.00 0.00 34.95 32.21 2kj4 s ARG 84 CO 0.57 0.32 -0.23 0.00 -1.08 0.00 0.00 175.30 174.88 2kj4 h ALA 86 N 3.72 0.05 0.00 0.00 0.00 -1.90 -0.38 119.26 120.75 2kj4 h ALA 86 Ca -0.50 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2kj4 h ALA 86 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kj4 h ALA 86 CO 0.43 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.82