#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 n VAL 2 N 0.00 -7.53 0.32 2.97 3.14 -1.26 -4.96 118.33 111.02 2kj4 n VAL 2 Ca 0.00 1.24 -0.17 0.00 -2.96 0.00 0.00 64.34 62.45 2kj4 n VAL 2 Cb 0.00 -5.16 -0.09 0.00 -1.06 0.00 0.00 33.84 27.53 2kj4 n VAL 2 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2kj4 h GLU 3 N 3.30 -0.75 -4.73 1.45 3.07 -2.09 -3.34 114.58 111.49 2kj4 h GLU 3 Ca -0.00 0.05 -0.72 0.00 -0.50 0.00 0.00 59.36 58.19 2kj4 h GLU 3 Cb 0.46 0.17 -0.20 0.00 -0.84 0.00 0.00 28.75 28.34 2kj4 h GLU 3 CO 0.06 -0.48 0.71 0.12 -1.40 0.00 0.00 179.01 178.01 2kj4 s PHE 4 N -5.92 3.31 -1.28 4.33 5.36 -1.26 -4.80 117.98 117.71 2kj4 s PHE 4 Ca -0.17 -1.60 0.09 0.00 -0.96 0.00 0.00 56.93 54.29 2kj4 s PHE 4 Cb 0.03 -4.18 0.35 0.00 -0.34 0.00 0.00 43.02 38.89 2kj4 s PHE 4 CO 0.61 -1.37 1.17 -1.13 -1.46 0.00 0.00 175.22 173.04 2kj4 n SER 5 N 5.87 2.59 -4.89 6.13 3.41 -1.26 -4.91 113.62 120.57 2kj4 n SER 5 Ca 0.23 -2.23 -0.30 0.00 -0.26 0.00 0.00 58.87 56.31 2kj4 n SER 5 Cb 0.48 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 2kj4 n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kj4 s GLU 6 N -1.69 3.73 -0.21 4.33 0.41 -1.26 -4.75 118.70 119.26 2kj4 s GLU 6 Ca 0.25 0.26 -0.02 0.00 -0.41 0.00 0.00 54.97 55.05 2kj4 s GLU 6 Cb 0.16 -2.53 0.01 0.00 -1.78 0.00 0.00 34.13 29.99 2kj4 s GLU 6 CO 0.11 0.12 0.03 0.39 -0.49 0.00 0.00 175.26 175.42 2kj4 n GLU 7 N -0.97 -2.72 -4.03 1.61 1.02 -1.26 -4.99 120.64 109.29 2kj4 n GLU 7 Ca 0.01 2.28 -0.08 0.00 -0.02 0.00 0.00 57.16 59.35 2kj4 n GLU 7 Cb 0.54 -4.19 -0.10 0.00 -0.02 0.00 0.00 31.44 27.67 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kj4 s MET 9 N -3.41 4.25 0.34 0.00 -1.94 0.27 -4.63 119.30 114.18 2kj4 s MET 9 Ca 0.02 0.23 0.10 0.00 -1.71 0.00 0.00 55.69 54.33 2kj4 s MET 9 Cb 0.04 -3.47 0.61 0.00 2.01 0.00 0.00 34.83 34.02 2kj4 s MET 9 CO -0.08 0.11 1.78 1.25 -0.01 0.00 0.00 175.02 178.06 2kj4 h HIS 10 N 6.96 0.10 0.00 -0.03 2.76 -1.85 0.24 115.15 123.33 2kj4 h HIS 10 Ca -0.39 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 2kj4 h HIS 10 Cb 1.17 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2kj4 h HIS 10 CO 0.63 0.47 0.00 0.41 -1.30 0.00 0.00 177.93 178.14 2kj4 n GLY 11 N -0.35 2.32 0.01 5.26 0.00 -1.26 -4.67 105.19 106.51 2kj4 n GLY 11 Ca -0.02 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2kj4 n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kj4 n SER 12 N 0.00 0.08 0.00 1.61 7.64 -1.26 -4.86 113.62 116.83 2kj4 n SER 12 Ca 0.00 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2kj4 n SER 12 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2kj4 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj4 n GLY 13 N 0.29 0.78 0.19 0.23 0.00 -1.26 -3.39 105.19 102.03 2kj4 n GLY 13 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 2kj4 n GLY 13 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kj4 h GLU 14 N 4.19 0.00 -0.69 1.61 4.81 -1.89 -1.59 114.58 121.01 2kj4 h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kj4 h GLU 14 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kj4 h GLU 14 CO 0.00 0.38 0.00 -1.71 -0.73 0.00 0.00 179.01 176.95 2kj4 n ASN 15 N -3.84 3.77 -4.66 1.04 4.05 -1.26 -4.77 115.26 109.60 2kj4 n ASN 15 Ca -0.01 -2.49 -0.39 0.00 0.45 0.00 0.00 54.58 52.13 2kj4 n ASN 15 Cb 0.45 -0.57 -0.07 0.00 1.23 0.00 0.00 39.78 40.82 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2kj4 s TYR 16 N -2.00 3.36 -0.47 1.20 5.04 -0.60 -4.74 117.35 119.15 2kj4 s TYR 16 Ca 0.34 0.80 0.05 0.00 -2.44 0.00 0.00 57.07 55.82 2kj4 s TYR 16 Cb 0.25 -2.70 0.20 0.00 0.35 0.00 0.00 41.96 40.05 2kj4 s TYR 16 CO 0.12 -0.13 0.45 -3.47 -1.34 0.00 0.00 175.55 171.18 2kj4 n ASP 17 N 4.90 0.56 -4.88 4.32 2.03 -1.26 -4.81 116.55 117.42 2kj4 n ASP 17 Ca -0.04 -2.67 -0.25 0.00 0.52 0.00 0.00 54.79 52.35 2kj4 n ASP 17 Cb 0.50 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.27 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kj4 s GLY 18 N -0.72 2.34 -0.11 0.27 0.00 -1.26 -5.03 107.32 102.80 2kj4 s GLY 18 Ca 0.33 -1.46 0.18 0.00 0.00 0.00 0.00 44.72 43.77 2kj4 s GLY 18 CO -0.15 -1.90 1.60 0.28 0.00 0.00 0.00 173.10 172.92 2kj4 n LYS 19 N -1.66 3.63 -2.38 2.90 4.76 -1.26 -4.76 118.16 119.40 2kj4 n LYS 19 Ca -0.01 -2.84 -0.41 0.00 -2.87 0.00 0.00 58.31 52.18 2kj4 n LYS 19 Cb 0.64 -1.85 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2kj4 s ILE 20 N -1.84 3.45 -0.04 -0.18 2.07 -1.26 -4.92 121.20 118.48 2kj4 s ILE 20 Ca 0.49 1.31 0.05 0.00 -1.41 0.00 0.00 60.65 61.09 2kj4 s ILE 20 Cb 0.32 -3.83 0.08 0.00 0.13 0.00 0.00 42.46 39.15 2kj4 s ILE 20 CO 0.23 0.25 0.97 -1.54 -1.91 0.00 0.00 174.94 172.95 2kj4 n SER 21 N 1.94 0.83 -4.26 4.50 3.41 -1.26 -2.31 113.62 116.47 2kj4 n SER 21 Ca 0.02 -2.17 -0.23 0.00 -0.26 0.00 0.00 58.87 56.23 2kj4 n SER 21 Cb 0.44 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.89 1.12 0.49 4.33 1.02 -1.26 -0.63 119.74 123.92 2kj4 s LYS 22 Ca 0.09 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 2kj4 s LYS 22 Cb 0.08 -1.32 0.11 0.00 -0.52 0.00 0.00 37.83 36.17 2kj4 s LYS 22 CO 0.01 0.31 0.67 0.25 -0.92 0.00 0.00 175.35 175.67 2kj4 n THR 23 N 1.29 0.00 0.28 2.17 -2.24 0.54 -4.75 114.28 111.57 2kj4 n THR 23 Ca -0.19 -0.78 0.16 0.00 -2.27 0.00 0.00 64.05 60.96 2kj4 n THR 23 Cb 0.54 -1.35 0.81 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.91 0.18 114.93 113.41 2kj4 h MET 24 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.48 2kj4 h MET 24 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 2kj4 h MET 24 CO 0.20 0.07 -0.23 -1.13 -0.00 0.00 0.00 176.91 175.82 2kj4 n SER 25 N -3.39 1.33 -0.14 -0.10 3.41 -1.26 -4.89 113.62 108.57 2kj4 n SER 25 Ca -0.01 -1.14 -0.02 0.00 -0.26 0.00 0.00 58.87 57.44 2kj4 n SER 25 Cb 0.23 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 2kj4 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kj4 n GLY 26 N 1.32 0.50 3.90 5.00 0.00 0.05 -5.03 105.19 110.92 2kj4 n GLY 26 Ca 0.13 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.41 3.18 -0.02 0.99 1.43 -1.26 -4.62 118.68 117.97 2kj4 s LEU 27 Ca 0.00 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 53.87 2kj4 s LEU 27 Cb 0.00 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 2kj4 s LEU 27 CO 0.00 -1.07 0.50 -0.70 0.23 0.00 0.00 176.35 175.31 2kj4 s GLU 28 N -5.10 4.18 0.41 1.70 2.12 -1.26 -0.34 118.70 120.40 2kj4 s GLU 28 Ca 0.55 0.56 -0.19 0.00 0.36 0.00 0.00 54.97 56.24 2kj4 s GLU 28 Cb -0.11 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 2kj4 s GLU 28 CO 0.48 0.47 0.90 0.00 -0.54 0.00 0.00 175.26 176.57 2kj4 s GLN 30 N -3.16 4.16 0.24 0.00 0.74 0.11 -4.69 119.66 117.04 2kj4 s GLN 30 Ca 0.60 0.54 -0.31 0.00 0.05 0.00 0.00 55.36 56.24 2kj4 s GLN 30 Cb -0.09 -3.30 -0.12 0.00 1.10 0.00 0.00 33.01 30.60 2kj4 s GLN 30 CO 0.15 0.49 1.63 0.00 -0.55 0.00 0.00 175.29 177.01 2kj4 n ALA 31 N 2.42 2.44 0.28 1.58 0.00 -1.26 -4.49 120.51 121.48 2kj4 n ALA 31 Ca -0.10 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.87 2kj4 n ALA 31 Cb 0.52 -2.46 0.84 0.00 0.00 0.00 0.00 19.45 18.34 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 5.70 0.00 -0.01 0.00 4.06 -0.50 -0.29 115.95 124.91 2kj4 h TRP 32 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2kj4 h TRP 32 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2kj4 h TRP 32 CO 0.61 0.04 -0.13 -0.40 -3.56 0.00 0.00 178.44 175.00 2kj4 n ASP 33 N -3.83 1.20 -4.84 -3.49 5.68 -1.26 -4.55 116.55 105.46 2kj4 n ASP 33 Ca -0.03 -1.15 -0.35 0.00 -0.50 0.00 0.00 54.79 52.77 2kj4 n ASP 33 Cb 0.13 0.06 -0.06 0.00 -1.14 0.00 0.00 41.12 40.11 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2kj4 s SER 34 N -2.27 6.10 -0.08 -1.12 0.15 -0.12 -4.98 113.70 111.38 2kj4 s SER 34 Ca 0.31 0.33 0.16 0.00 0.70 0.00 0.00 55.95 57.45 2kj4 s SER 34 Cb 0.20 -1.89 0.55 0.00 -1.71 0.00 0.00 66.02 63.17 2kj4 s SER 34 CO 0.43 0.34 1.47 0.00 1.20 0.00 0.00 173.24 176.68 2kj4 n GLN 35 N 1.53 3.23 -4.31 5.44 1.13 -1.26 -4.78 117.38 118.36 2kj4 n GLN 35 Ca -0.16 -2.61 -0.21 0.00 -1.94 0.00 0.00 57.00 52.08 2kj4 n GLN 35 Cb 0.54 -1.66 -0.16 0.00 0.11 0.00 0.00 30.24 29.06 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 -1.14 1.19 0.08 1.08 0.01 -1.26 -3.23 113.70 110.43 2kj4 s SER 36 Ca 0.41 -0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.58 2kj4 s SER 36 Cb 0.26 -0.57 -0.20 0.00 0.21 0.00 0.00 66.02 65.72 2kj4 s SER 36 CO 0.20 -0.02 1.09 1.55 0.41 0.00 0.00 173.24 176.46 2kj4 h PRO 37 N 7.08 0.00 -5.79 12.44 0.13 -1.88 -3.45 132.00 140.54 2kj4 h PRO 37 Ca -0.36 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.17 2kj4 h PRO 37 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2kj4 h PRO 37 CO 0.48 0.81 -0.25 -1.01 -0.23 0.00 0.00 178.00 177.79 2kj4 s HIS 38 N -2.69 3.61 0.23 1.56 3.76 -1.25 -5.06 115.29 115.44 2kj4 s HIS 38 Ca -0.01 0.83 -0.22 0.00 -0.15 0.00 0.00 55.06 55.51 2kj4 s HIS 38 Cb 0.09 -2.31 -0.08 0.00 1.11 0.00 0.00 32.58 31.38 2kj4 s HIS 38 CO 0.82 0.47 0.77 0.00 -0.85 0.00 0.00 174.74 175.94 2kj4 s ALA 39 N -0.38 3.39 0.27 -1.40 0.00 -1.20 -4.36 121.76 118.07 2kj4 s ALA 39 Ca 0.21 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 2kj4 s ALA 39 Cb -0.15 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2kj4 s ALA 39 CO 0.09 0.30 0.63 -3.38 0.00 0.00 0.00 175.76 173.40 2kj4 s HIS 40 N -1.46 0.01 -0.29 0.00 -3.43 -1.26 -5.03 115.29 103.83 2kj4 s HIS 40 Ca 0.43 -0.43 0.16 0.00 -0.80 0.00 0.00 55.06 54.41 2kj4 s HIS 40 Cb -0.18 0.51 0.64 0.00 -1.43 0.00 0.00 32.58 32.12 2kj4 s HIS 40 CO 0.22 -1.14 1.55 0.41 -2.00 0.00 0.00 174.74 173.78 2kj4 n GLY 41 N -0.43 3.53 3.36 -1.38 0.00 -1.26 -4.75 105.19 104.27 2kj4 n GLY 41 Ca -0.03 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 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 0.04 4.82 -3.08 1.61 4.01 -1.26 -4.96 117.16 118.34 2kj4 n TYR 42 Ca 0.24 -3.47 -0.40 0.00 -0.16 0.00 0.00 57.90 54.11 2kj4 n TYR 42 Cb 0.99 -1.98 -0.05 0.00 -0.31 0.00 0.00 39.34 37.98 2kj4 n TYR 42 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kj4 s ILE 43 N 0.39 5.01 -1.15 -0.72 -1.09 -1.26 -4.58 121.20 117.79 2kj4 s ILE 43 Ca 0.38 1.27 0.16 0.00 -2.23 0.00 0.00 60.65 60.23 2kj4 s ILE 43 Cb -0.04 -3.98 0.18 0.00 -1.58 0.00 0.00 42.46 37.05 2kj4 s ILE 43 CO -0.02 0.12 1.49 -2.65 -1.23 0.00 0.00 174.94 172.65 2kj4 n PRO 44 N 4.89 0.08 0.08 2.79 -0.02 -1.26 -1.50 135.00 140.07 2kj4 n PRO 44 Ca -0.01 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2kj4 n PRO 44 Cb 0.50 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 2kj4 n PRO 44 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kj4 h SER 45 N 0.00 0.23 0.14 2.55 0.02 -1.92 -3.02 113.55 111.55 2kj4 h SER 45 Ca 0.00 -0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 60.58 2kj4 h SER 45 Cb 0.23 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2kj4 h SER 45 CO 0.00 1.14 -2.00 2.29 -1.14 0.00 0.00 176.83 177.11 2kj4 n LYS 46 N -3.50 0.66 -2.97 3.45 2.85 -0.74 -4.49 118.16 113.41 2kj4 n LYS 46 Ca -0.04 -0.07 -0.26 0.00 -1.05 0.00 0.00 58.31 56.90 2kj4 n LYS 46 Cb 0.93 -1.57 -0.04 0.00 -0.65 0.00 0.00 35.03 33.70 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 -2.53 3.49 0.15 5.58 3.72 -0.56 -4.84 117.46 122.47 2kj4 n PHE 47 Ca -0.14 -3.96 0.03 0.00 -0.05 0.00 0.00 57.45 53.33 2kj4 n PHE 47 Cb 0.80 -0.47 0.12 0.00 -0.94 0.00 0.00 39.48 38.99 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 2.98 0.00 0.00 -1.08 0.13 -1.75 -3.23 132.00 129.04 2kj4 h PRO 48 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2kj4 h PRO 48 Cb 0.58 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2kj4 h PRO 48 CO 0.77 0.49 -0.05 -2.95 -0.23 0.00 0.00 178.00 176.03 2kj4 h ASN 49 N 0.00 0.00 -0.52 1.44 -1.07 -1.88 -0.21 115.58 113.34 2kj4 h ASN 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2kj4 h ASN 49 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 2kj4 h ASN 49 CO 0.06 0.05 0.00 0.29 0.07 0.00 0.00 177.43 177.90 2kj4 n LYS 50 N -3.58 2.42 -3.48 4.14 4.76 -1.22 -4.94 118.16 116.26 2kj4 n LYS 50 Ca -0.02 -2.18 -0.19 0.00 -2.87 0.00 0.00 58.31 53.04 2kj4 n LYS 50 Cb 0.16 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 31.94 2kj4 n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2kj4 n ASN 51 N 1.31 -3.38 -4.57 4.39 4.13 -0.09 -4.65 115.26 112.39 2kj4 n ASN 51 Ca 0.20 -0.60 -0.37 0.00 1.68 0.00 0.00 54.58 55.49 2kj4 n ASN 51 Cb 0.54 -5.10 -0.03 0.00 -1.54 0.00 0.00 39.78 33.65 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kj4 s LEU 52 N -6.66 3.48 0.04 3.41 2.96 -1.25 -4.93 118.68 115.74 2kj4 s LEU 52 Ca 0.18 -1.62 0.04 0.00 -0.22 0.00 0.00 54.13 52.52 2kj4 s LEU 52 Cb -0.08 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2kj4 s LEU 52 CO 0.73 -1.83 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.26 2kj4 s LYS 53 N 5.32 0.84 2.08 1.98 -0.14 -1.26 -4.59 119.74 123.97 2kj4 s LYS 53 Ca 0.55 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.43 2kj4 s LYS 53 Cb -0.00 -0.82 0.00 0.00 -1.68 0.00 0.00 37.83 35.33 2kj4 s LYS 53 CO -0.01 0.20 0.00 1.63 -0.76 0.00 0.00 175.35 176.41 2kj4 n LYS 54 N 1.87 0.00 -1.10 1.68 4.76 -1.26 -2.95 118.16 121.16 2kj4 n LYS 54 Ca -0.18 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.21 2kj4 n LYS 54 Cb 0.55 0.00 0.14 0.00 -1.84 0.00 0.00 35.03 33.88 2kj4 n LYS 54 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2kj4 n ASN 55 N 0.17 2.86 -4.81 4.39 6.94 -1.26 0.25 115.26 123.79 2kj4 n ASN 55 Ca 0.00 -3.85 -0.39 0.00 -0.02 0.00 0.00 54.58 50.32 2kj4 n ASN 55 Cb 0.00 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 36.89 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 -3.37 3.79 -0.06 -2.53 2.02 -1.15 -4.35 117.35 111.70 2kj4 s TYR 56 Ca 0.43 1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 58.06 2kj4 s TYR 56 Cb 0.38 -2.48 -0.07 0.00 -0.40 0.00 0.00 41.96 39.40 2kj4 s TYR 56 CO -0.03 0.57 1.91 0.00 -1.57 0.00 0.00 175.55 176.44 2kj4 s ARG 58 N 4.76 1.72 -0.50 0.00 1.81 -0.73 -4.74 118.95 121.26 2kj4 s ARG 58 Ca 0.86 -1.95 0.03 0.00 -1.72 0.00 0.00 55.73 52.95 2kj4 s ARG 58 Cb -0.37 -1.04 0.15 0.00 -0.45 0.00 0.00 34.95 33.24 2kj4 s ARG 58 CO 0.37 -0.15 0.33 1.21 -0.68 0.00 0.00 175.30 176.38 2kj4 s ASN 59 N -3.53 3.35 -0.11 0.23 3.84 -1.25 -0.88 114.94 116.59 2kj4 s ASN 59 Ca 0.36 -3.07 -0.04 0.00 0.21 0.00 0.00 52.86 50.32 2kj4 s ASN 59 Cb 0.09 -1.02 -0.26 0.00 -0.55 0.00 0.00 41.25 39.51 2kj4 s ASN 59 CO 0.16 -0.19 0.40 -0.81 -2.79 0.00 0.00 177.10 173.86 2kj4 n PRO 60 N 2.94 0.74 0.00 0.43 -0.04 -1.26 -4.19 135.00 133.62 2kj4 n PRO 60 Ca 0.17 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 2kj4 n PRO 60 Cb 0.38 -1.72 0.45 0.00 -0.04 0.00 0.00 33.50 32.58 2kj4 n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kj4 n ASP 61 N -3.43 0.93 -1.81 3.54 5.68 -1.26 -4.94 116.55 115.26 2kj4 n ASP 61 Ca -0.30 -0.88 -0.03 0.00 -0.50 0.00 0.00 54.79 53.09 2kj4 n ASP 61 Cb 1.05 0.07 0.01 0.00 -1.14 0.00 0.00 41.12 41.11 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 -0.64 -0.40 -0.09 0.11 1.74 -1.26 -5.10 116.66 111.02 2kj4 n ARG 62 Ca 0.13 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2kj4 n ARG 62 Cb 0.33 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 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 -1.79 0.00 0.01 0.55 2.03 -1.26 -5.02 116.55 111.07 2kj4 n ASP 63 Ca -0.01 -0.29 -0.06 0.00 0.52 0.00 0.00 54.79 54.94 2kj4 n ASP 63 Cb 0.52 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.80 2kj4 n ASP 63 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kj4 h LEU 64 N 0.00 0.00 -7.95 -2.67 3.38 -1.99 -3.47 115.31 102.61 2kj4 h LEU 64 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2kj4 h LEU 64 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 2kj4 h LEU 64 CO 0.00 0.90 -0.57 -0.13 0.09 0.00 0.00 178.44 178.72 2kj4 s ARG 65 N -2.70 0.53 0.67 1.13 0.52 -1.24 -4.56 118.95 113.31 2kj4 s ARG 65 Ca -0.03 -0.77 -0.17 0.00 -0.52 0.00 0.00 55.73 54.24 2kj4 s ARG 65 Cb 0.08 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.76 2kj4 s ARG 65 CO 0.82 -0.12 1.21 -2.30 0.02 0.00 0.00 175.30 174.93 2kj4 n PRO 66 N 0.87 0.90 -3.37 3.54 -0.02 -1.22 -4.84 135.00 130.87 2kj4 n PRO 66 Ca -0.19 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2kj4 n PRO 66 Cb 0.58 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2kj4 n PRO 66 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2kj4 n TRP 67 N -2.15 -1.16 -3.49 6.00 4.27 -0.06 -1.31 117.44 119.54 2kj4 n TRP 67 Ca 0.15 -1.76 -0.15 0.00 -3.89 0.00 0.00 57.50 51.85 2kj4 n TRP 67 Cb 0.48 0.40 -0.04 0.00 -1.36 0.00 0.00 31.31 30.79 2kj4 n TRP 67 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2kj4 s PHE 69 N -2.32 3.78 0.27 0.00 0.08 -1.26 -1.11 117.98 117.43 2kj4 s PHE 69 Ca -0.06 1.81 -0.14 0.00 0.12 0.00 0.00 56.93 58.66 2kj4 s PHE 69 Cb -0.00 -3.13 -0.08 0.00 -0.57 0.00 0.00 43.02 39.23 2kj4 s PHE 69 CO -0.00 -0.05 0.66 0.99 -0.10 0.00 0.00 175.22 176.72 2kj4 s THR 70 N -1.16 4.76 -1.27 0.64 2.01 -1.15 0.04 115.64 119.51 2kj4 s THR 70 Ca 0.43 0.83 0.08 0.00 0.31 0.00 0.00 61.69 63.34 2kj4 s THR 70 Cb -0.29 -3.65 0.34 0.00 0.01 0.00 0.00 72.50 68.90 2kj4 s THR 70 CO 0.37 -0.06 1.15 1.07 -0.69 0.00 0.00 174.62 176.45 2kj4 n THR 71 N -0.06 0.88 -3.57 -0.82 5.66 -0.72 -4.55 114.28 111.11 2kj4 n THR 71 Ca 0.01 -0.55 -0.37 0.00 -3.05 0.00 0.00 64.05 60.10 2kj4 n THR 71 Cb 0.53 -0.12 -0.08 0.00 -1.55 0.00 0.00 70.33 69.11 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kj4 s ASP 72 N -0.64 6.32 0.60 1.09 -1.08 -1.26 -4.83 116.67 116.86 2kj4 s ASP 72 Ca 0.24 0.36 0.40 0.00 -0.52 0.00 0.00 52.55 53.02 2kj4 s ASP 72 Cb 0.16 -2.16 2.01 0.00 -1.46 0.00 0.00 42.92 41.47 2kj4 s ASP 72 CO 0.11 0.06 2.20 1.55 0.52 0.00 0.00 175.17 179.61 2kj4 h PRO 73 N 7.05 0.00 0.09 4.34 0.13 -1.98 -2.63 132.00 139.00 2kj4 h PRO 73 Ca -0.39 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.43 2kj4 h PRO 73 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kj4 h PRO 73 CO 0.72 0.00 -1.69 -0.97 -0.23 0.00 0.00 178.00 175.84 2kj4 h ASN 74 N 0.00 0.30 -3.29 1.44 -1.24 -1.97 -3.46 115.58 107.37 2kj4 h ASN 74 Ca 0.00 -0.81 -0.56 0.00 0.71 0.00 0.00 56.30 55.63 2kj4 h ASN 74 Cb 0.17 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 2kj4 h ASN 74 CO 0.00 1.72 0.47 -0.75 -1.29 0.00 0.00 177.43 177.57 2kj4 s LYS 75 N -2.49 4.39 -0.06 6.67 2.47 -0.99 -4.94 119.74 124.80 2kj4 s LYS 75 Ca -0.24 1.24 -0.11 0.00 -1.56 0.00 0.00 55.97 55.30 2kj4 s LYS 75 Cb 0.06 -3.54 -0.07 0.00 -1.46 0.00 0.00 37.83 32.82 2kj4 s LYS 75 CO 0.72 -0.28 0.47 -0.09 0.16 0.00 0.00 175.35 176.34 2kj4 h ARG 76 N 7.12 -0.36 -3.36 4.03 9.65 -1.90 -3.40 114.38 126.17 2kj4 h ARG 76 Ca -0.32 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.56 2kj4 h ARG 76 Cb 1.15 0.08 -0.10 0.00 -1.39 0.00 0.00 29.97 29.71 2kj4 h ARG 76 CO 0.84 -0.21 0.00 1.67 2.80 0.00 0.00 179.97 185.07 2kj4 s TRP 77 N -2.83 -0.06 0.04 2.20 1.48 -1.26 -2.93 118.94 115.57 2kj4 s TRP 77 Ca -0.06 -0.29 -0.00 0.00 -1.06 0.00 0.00 56.10 54.69 2kj4 s TRP 77 Cb 0.01 0.36 -0.03 0.00 -1.16 0.00 0.00 33.47 32.64 2kj4 s TRP 77 CO 0.19 -0.91 -0.04 -1.21 -4.06 0.00 0.00 176.95 170.92 2kj4 s GLU 78 N -3.89 0.45 0.63 3.25 0.41 -0.26 -4.85 118.70 114.44 2kj4 s GLU 78 Ca 0.10 -0.86 -0.13 0.00 -0.41 0.00 0.00 54.97 53.68 2kj4 s GLU 78 Cb -0.01 0.10 -0.02 0.00 -1.78 0.00 0.00 34.13 32.42 2kj4 s GLU 78 CO -0.02 -0.06 1.04 0.71 -0.49 0.00 0.00 175.26 176.44 2kj4 s TYR 79 N -2.39 3.25 -0.12 1.61 1.51 -1.26 -0.60 117.35 119.34 2kj4 s TYR 79 Ca -0.06 1.41 -0.02 0.00 -1.01 0.00 0.00 57.07 57.39 2kj4 s TYR 79 Cb -0.03 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 2kj4 s TYR 79 CO -0.04 -0.97 -0.03 0.00 -1.11 0.00 0.00 175.55 173.40 2kj4 s ASP 81 N -0.16 6.46 -0.07 0.00 2.15 -1.26 -4.70 116.67 119.09 2kj4 s ASP 81 Ca 0.03 -2.96 0.02 0.00 0.43 0.00 0.00 52.55 50.07 2kj4 s ASP 81 Cb -0.13 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.36 2kj4 s ASP 81 CO 0.02 -0.45 -0.12 -0.63 -0.17 0.00 0.00 175.17 173.82 2kj4 s ILE 82 N -0.25 3.22 1.00 4.11 1.01 -1.26 -4.93 121.20 124.11 2kj4 s ILE 82 Ca 0.21 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 2kj4 s ILE 82 Cb -0.12 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2kj4 s ILE 82 CO -0.08 0.58 -0.03 -2.65 0.00 0.00 0.00 174.94 172.76 2kj4 n PRO 83 N 2.53 -0.54 -4.17 2.79 -0.02 -1.26 -4.71 135.00 129.61 2kj4 n PRO 83 Ca -0.17 -0.13 -0.31 0.00 -2.02 0.00 0.00 63.50 60.86 2kj4 n PRO 83 Cb 0.52 -1.62 -0.16 0.00 -0.02 0.00 0.00 33.50 32.22 2kj4 n PRO 83 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kj4 s ARG 84 N -3.21 2.62 0.00 -0.52 3.00 -1.26 0.94 118.95 120.52 2kj4 s ARG 84 Ca 0.52 -0.69 -0.01 0.00 -1.00 0.00 0.00 55.73 54.55 2kj4 s ARG 84 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 34.95 32.46 2kj4 s ARG 84 CO 0.70 -0.19 0.12 0.00 0.00 0.00 0.00 175.30 175.93 2kj4 h ALA 86 N 3.92 0.40 -0.01 0.00 0.00 -1.83 -3.33 119.26 118.40 2kj4 h ALA 86 Ca -0.49 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2kj4 h ALA 86 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kj4 h ALA 86 CO 0.65 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.72