#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 0.00 -0.02 -0.72 0.24 -1.26 -4.65 118.33 111.93 2kj4 n VAL 2 Ca 0.00 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 2kj4 n VAL 2 Cb 0.00 0.73 -0.00 0.00 -1.47 0.00 0.00 33.84 33.09 2kj4 n VAL 2 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2kj4 h GLU 3 N 0.00 0.00 -3.26 7.34 3.07 -2.11 -3.47 114.58 116.15 2kj4 h GLU 3 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 2kj4 h GLU 3 Cb 0.02 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 27.54 2kj4 h GLU 3 CO 0.00 0.00 -0.74 0.12 -1.40 0.00 0.00 179.01 176.99 2kj4 s PHE 4 N -1.26 0.09 -0.19 4.33 5.36 -1.26 -4.99 117.98 120.05 2kj4 s PHE 4 Ca -0.03 0.15 0.20 0.00 -0.96 0.00 0.00 56.93 56.29 2kj4 s PHE 4 Cb 0.00 -0.52 -0.05 0.00 -0.34 0.00 0.00 43.02 42.11 2kj4 s PHE 4 CO 0.04 -0.25 0.96 0.43 -1.46 0.00 0.00 175.22 174.93 2kj4 n SER 5 N 5.30 0.86 -0.75 6.13 7.64 -1.26 -4.88 113.62 126.65 2kj4 n SER 5 Ca -0.04 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2kj4 n SER 5 Cb 0.50 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 2kj4 n SER 5 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kj4 n GLU 6 N -2.76 0.00 0.00 1.43 4.07 -1.26 -5.05 120.64 117.06 2kj4 n GLU 6 Ca -0.04 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 2kj4 n GLU 6 Cb 0.66 -0.33 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kj4 n GLU 7 N 0.46 0.00 -3.57 5.31 -0.58 -1.26 -4.95 120.64 116.05 2kj4 n GLU 7 Ca 0.00 0.09 -0.06 0.00 -0.42 0.00 0.00 57.16 56.77 2kj4 n GLU 7 Cb 0.00 -0.69 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kj4 s MET 9 N -2.93 0.63 0.22 0.00 -1.94 0.59 -4.82 119.30 111.06 2kj4 s MET 9 Ca 0.08 -1.08 -0.32 0.00 -1.71 0.00 0.00 55.69 52.66 2kj4 s MET 9 Cb -0.01 -0.05 -0.14 0.00 2.01 0.00 0.00 34.83 36.65 2kj4 s MET 9 CO -0.06 -0.04 1.40 1.58 -0.01 0.00 0.00 175.02 177.89 2kj4 n HIS 10 N 0.53 2.07 -0.31 -0.03 -0.00 -1.23 -0.56 115.22 115.70 2kj4 n HIS 10 Ca -0.16 0.45 0.15 0.00 0.46 0.00 0.00 57.72 58.62 2kj4 n HIS 10 Cb 0.59 -2.45 0.30 0.00 -0.12 0.00 0.00 29.99 28.31 2kj4 n HIS 10 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kj4 n GLY 11 N 2.26 -1.16 0.32 1.57 0.00 -0.22 -0.25 105.19 107.71 2kj4 n GLY 11 Ca 0.13 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.96 2kj4 n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kj4 h SER 12 N 0.00 0.97 -0.48 1.61 4.64 -1.89 -3.43 113.55 114.98 2kj4 h SER 12 Ca 0.58 -0.18 -0.20 0.00 -0.47 0.00 0.00 61.79 61.51 2kj4 h SER 12 Cb 1.25 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.00 2kj4 h SER 12 CO -0.83 0.92 -0.19 0.61 -0.87 0.00 0.00 176.83 176.48 2kj4 n GLY 13 N -0.79 1.14 0.18 -0.77 0.00 0.66 -3.21 105.19 102.40 2kj4 n GLY 13 Ca 0.05 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 0.03 0.00 -0.64 1.61 4.81 -1.83 -2.65 114.58 115.92 2kj4 h GLU 14 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2kj4 h GLU 14 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2kj4 h GLU 14 CO 0.30 0.38 0.00 -1.71 -0.73 0.00 0.00 179.01 177.25 2kj4 n ASN 15 N -3.43 4.12 -4.62 1.04 2.85 -1.26 -4.75 115.26 109.21 2kj4 n ASN 15 Ca 0.00 -2.38 -0.43 0.00 -0.11 0.00 0.00 54.58 51.66 2kj4 n ASN 15 Cb 0.54 -0.53 -0.02 0.00 1.24 0.00 0.00 39.78 41.01 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2kj4 s TYR 16 N -1.81 2.99 -1.84 1.20 5.04 -1.00 -4.85 117.35 117.08 2kj4 s TYR 16 Ca 0.43 0.97 0.16 0.00 -2.44 0.00 0.00 57.07 56.20 2kj4 s TYR 16 Cb 0.28 -4.04 0.22 0.00 0.35 0.00 0.00 41.96 38.78 2kj4 s TYR 16 CO 0.21 -1.02 1.12 -3.47 -1.34 0.00 0.00 175.55 171.05 2kj4 n ASP 17 N 7.34 2.65 -4.04 4.32 2.03 -1.26 -4.88 116.55 122.69 2kj4 n ASP 17 Ca 0.12 -1.77 -0.30 0.00 0.52 0.00 0.00 54.79 53.36 2kj4 n ASP 17 Cb 0.48 -0.10 0.23 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.25 1.55 -0.37 0.27 0.00 -1.26 -4.98 107.32 101.28 2kj4 s GLY 18 Ca 0.23 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.30 2kj4 s GLY 18 CO 0.21 0.11 1.59 0.28 0.00 0.00 0.00 173.10 175.29 2kj4 n LYS 19 N -4.77 2.19 -2.41 2.90 5.02 -1.26 -4.73 118.16 115.09 2kj4 n LYS 19 Ca 0.10 -3.28 -0.41 0.00 -2.02 0.00 0.00 58.31 52.71 2kj4 n LYS 19 Cb 0.59 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2kj4 s ILE 20 N -3.59 3.50 -0.01 -0.18 2.07 -1.26 -4.91 121.20 116.83 2kj4 s ILE 20 Ca 0.50 1.38 0.02 0.00 -1.41 0.00 0.00 60.65 61.14 2kj4 s ILE 20 Cb 0.43 -3.88 0.02 0.00 0.13 0.00 0.00 42.46 39.17 2kj4 s ILE 20 CO 0.02 0.28 0.82 -1.54 -1.91 0.00 0.00 174.94 172.61 2kj4 n SER 21 N 1.78 0.33 -4.23 4.50 3.41 -1.26 -0.11 113.62 118.05 2kj4 n SER 21 Ca 0.01 -1.70 -0.24 0.00 -0.26 0.00 0.00 58.87 56.69 2kj4 n SER 21 Cb 0.45 -0.13 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.31 1.24 0.32 4.33 1.02 -1.26 -1.68 119.74 123.40 2kj4 s LYS 22 Ca 0.03 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 2kj4 s LYS 22 Cb 0.02 -1.35 0.07 0.00 -0.52 0.00 0.00 37.83 36.06 2kj4 s LYS 22 CO 0.00 0.34 0.43 0.25 -0.92 0.00 0.00 175.35 175.45 2kj4 n THR 23 N 1.77 0.00 0.26 2.17 -2.24 0.11 -4.63 114.28 111.71 2kj4 n THR 23 Ca -0.18 -0.31 0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2kj4 n THR 23 Cb 0.54 -1.83 0.68 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.00 -0.78 -0.00 -0.64 -0.16 114.93 113.36 2kj4 h MET 24 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2kj4 h MET 24 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2kj4 h MET 24 CO 0.10 0.12 -0.95 -1.13 -0.00 0.00 0.00 176.91 175.05 2kj4 n SER 25 N -3.94 0.76 0.00 -0.10 3.41 -1.26 -4.88 113.62 107.60 2kj4 n SER 25 Ca -0.02 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2kj4 n SER 25 Cb 0.21 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.25 1.20 3.83 5.00 0.00 -0.07 -5.08 105.19 111.30 2kj4 n GLY 26 Ca 0.01 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 3.15 -0.03 0.99 1.43 -1.26 -4.59 118.68 118.37 2kj4 s LEU 27 Ca 0.00 1.59 -0.27 0.00 -1.03 0.00 0.00 54.13 54.42 2kj4 s LEU 27 Cb 0.00 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 2kj4 s LEU 27 CO 0.00 -1.35 0.87 -0.70 0.23 0.00 0.00 176.35 175.40 2kj4 s GLU 28 N -5.05 4.50 0.36 1.70 2.56 -1.26 -0.72 118.70 120.80 2kj4 s GLU 28 Ca 0.58 1.20 -0.24 0.00 0.00 0.00 0.00 54.97 56.50 2kj4 s GLU 28 Cb -0.14 -3.46 -0.10 0.00 2.00 0.00 0.00 34.13 32.43 2kj4 s GLU 28 CO 0.55 -0.02 0.96 0.00 -0.56 0.00 0.00 175.26 176.19 2kj4 s GLN 30 N -2.41 4.40 0.33 0.00 0.74 0.18 -4.71 119.66 118.19 2kj4 s GLN 30 Ca 0.54 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 56.42 2kj4 s GLN 30 Cb -0.16 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.40 2kj4 s GLN 30 CO 0.21 0.12 1.45 0.00 -0.55 0.00 0.00 175.29 176.52 2kj4 n ALA 31 N 3.64 1.95 0.26 1.58 0.00 -1.26 -4.33 120.51 122.34 2kj4 n ALA 31 Ca -0.03 0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.87 2kj4 n ALA 31 Cb 0.51 -2.36 0.68 0.00 0.00 0.00 0.00 19.45 18.28 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 3.47 0.00 0.00 0.00 4.06 -1.12 0.10 115.95 122.46 2kj4 h TRP 32 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 2kj4 h TRP 32 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2kj4 h TRP 32 CO 0.54 0.11 0.00 -3.47 -3.56 0.00 0.00 178.44 172.06 2kj4 n ASP 33 N -3.98 0.57 -4.82 -3.49 2.03 -1.26 -4.43 116.55 101.18 2kj4 n ASP 33 Ca -0.02 0.56 -0.36 0.00 0.52 0.00 0.00 54.79 55.48 2kj4 n ASP 33 Cb 0.20 -0.71 -0.07 0.00 -0.72 0.00 0.00 41.12 39.82 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kj4 s SER 34 N -4.08 6.11 -0.07 1.67 0.15 0.02 -4.95 113.70 112.55 2kj4 s SER 34 Ca 0.11 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.29 2kj4 s SER 34 Cb 0.14 -1.95 0.57 0.00 -1.71 0.00 0.00 66.02 63.07 2kj4 s SER 34 CO 0.56 0.37 1.49 0.00 1.20 0.00 0.00 173.24 176.86 2kj4 n GLN 35 N 2.23 3.22 -3.83 5.44 1.13 -1.26 -4.78 117.38 119.53 2kj4 n GLN 35 Ca -0.19 -2.62 -0.25 0.00 -1.94 0.00 0.00 57.00 52.00 2kj4 n GLN 35 Cb 0.54 -1.66 -0.17 0.00 0.11 0.00 0.00 30.24 29.06 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kj4 s SER 36 N -1.09 1.97 -0.04 1.08 1.04 -1.26 -3.27 113.70 112.14 2kj4 s SER 36 Ca 0.42 -0.25 0.18 0.00 0.48 0.00 0.00 55.95 56.79 2kj4 s SER 36 Cb 0.26 -0.63 -0.21 0.00 0.10 0.00 0.00 66.02 65.53 2kj4 s SER 36 CO 0.22 -0.17 0.52 -0.81 0.98 0.00 0.00 173.24 173.98 2kj4 n PRO 37 N 5.05 0.65 -3.39 4.02 -0.04 -1.26 -4.85 135.00 135.17 2kj4 n PRO 37 Ca -0.10 0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 2kj4 n PRO 37 Cb 0.50 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 2kj4 n PRO 37 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kj4 s HIS 38 N -2.94 3.50 -0.02 0.54 3.76 -1.25 -5.05 115.29 113.84 2kj4 s HIS 38 Ca -0.06 0.80 -0.25 0.00 -0.15 0.00 0.00 55.06 55.39 2kj4 s HIS 38 Cb 0.09 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 2kj4 s HIS 38 CO 0.84 0.20 0.77 0.00 -0.85 0.00 0.00 174.74 175.70 2kj4 s ALA 39 N 0.53 3.32 0.17 -1.40 0.00 -1.20 -4.42 121.76 118.76 2kj4 s ALA 39 Ca 0.23 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 2kj4 s ALA 39 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2kj4 s ALA 39 CO 0.08 -0.06 0.15 -3.38 0.00 0.00 0.00 175.76 172.55 2kj4 s HIS 40 N 0.53 0.84 -1.88 0.00 -3.43 -1.26 -5.03 115.29 105.05 2kj4 s HIS 40 Ca 0.40 -1.16 0.20 0.00 -0.80 0.00 0.00 55.06 53.70 2kj4 s HIS 40 Cb -0.19 -0.38 0.47 0.00 -1.43 0.00 0.00 32.58 31.05 2kj4 s HIS 40 CO 0.22 -0.63 1.39 0.41 -2.00 0.00 0.00 174.74 174.13 2kj4 n GLY 41 N -0.19 2.14 3.12 -1.38 0.00 -1.26 -4.70 105.19 102.91 2kj4 n GLY 41 Ca -0.03 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 1.31 3.79 -3.26 1.61 4.02 -1.26 -4.93 117.16 118.43 2kj4 n TYR 42 Ca 0.19 -3.03 -0.39 0.00 -0.01 0.00 0.00 57.90 54.67 2kj4 n TYR 42 Cb 0.56 -2.04 -0.06 0.00 -0.02 0.00 0.00 39.34 37.77 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 0.85 5.12 -0.52 -0.72 1.01 -1.26 -4.71 121.20 120.97 2kj4 s ILE 43 Ca 0.41 0.96 0.14 0.00 0.00 0.00 0.00 60.65 62.17 2kj4 s ILE 43 Cb 0.04 -3.84 0.14 0.00 0.01 0.00 0.00 42.46 38.82 2kj4 s ILE 43 CO 0.00 0.21 1.44 -2.65 0.00 0.00 0.00 174.94 173.95 2kj4 n PRO 44 N 4.53 0.09 0.07 2.79 -0.02 -1.26 -1.52 135.00 139.68 2kj4 n PRO 44 Ca -0.05 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2kj4 n PRO 44 Cb 0.51 -1.78 -0.13 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.24 0.76 2.55 0.02 -1.93 -2.77 113.55 112.41 2kj4 h SER 45 Ca 0.00 -0.29 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 2kj4 h SER 45 Cb 0.04 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2kj4 h SER 45 CO 0.00 1.24 -1.35 0.07 -1.14 0.00 0.00 176.83 175.64 2kj4 h LYS 46 N 0.04 0.00 -2.23 3.45 2.10 -1.67 -3.37 116.57 114.89 2kj4 h LYS 46 Ca -0.14 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.92 2kj4 h LYS 46 Cb 1.92 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 32.84 2kj4 h LYS 46 CO 0.16 0.31 -0.67 1.19 -2.00 0.00 0.00 179.45 178.44 2kj4 n PHE 47 N -2.92 2.98 0.09 0.07 3.72 -0.78 -4.93 117.46 115.69 2kj4 n PHE 47 Ca -0.09 -4.07 -0.04 0.00 -0.05 0.00 0.00 57.45 53.20 2kj4 n PHE 47 Cb 0.84 -0.52 -0.06 0.00 -0.94 0.00 0.00 39.48 38.80 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 4.26 0.00 0.00 -1.08 0.13 -1.66 -3.31 132.00 130.34 2kj4 h PRO 48 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kj4 h PRO 48 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kj4 h PRO 48 CO 0.77 0.85 -0.02 -2.95 -0.23 0.00 0.00 178.00 176.42 2kj4 h ASN 49 N 0.00 0.00 -0.07 1.44 -1.07 -1.91 -1.19 115.58 112.77 2kj4 h ASN 49 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2kj4 h ASN 49 Cb 1.62 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.87 2kj4 h ASN 49 CO 0.11 0.02 0.00 0.29 0.07 0.00 0.00 177.43 177.92 2kj4 n LYS 50 N -3.28 1.93 -3.61 4.14 4.76 -1.25 -4.94 118.16 115.91 2kj4 n LYS 50 Ca -0.02 -1.36 -0.22 0.00 -2.87 0.00 0.00 58.31 53.84 2kj4 n LYS 50 Cb 0.13 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.90 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 0.63 -2.88 -3.62 4.39 5.15 -0.45 -4.84 115.26 113.63 2kj4 n ASN 51 Ca 0.17 -0.83 -0.41 0.00 -0.60 0.00 0.00 54.58 52.91 2kj4 n ASN 51 Cb 0.44 -4.18 -0.02 0.00 -0.53 0.00 0.00 39.78 35.49 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2kj4 n LEU 52 N -4.08 6.34 -4.75 1.20 7.94 -1.26 -4.92 117.00 117.48 2kj4 n LEU 52 Ca -0.22 -3.80 -0.29 0.00 -1.11 0.00 0.00 56.01 50.58 2kj4 n LEU 52 Cb 0.65 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 43.05 2kj4 n LEU 52 CO 0.66 0.85 -0.28 -0.54 -1.11 0.00 0.00 177.39 176.98 2kj4 s LYS 53 N 3.51 2.76 4.11 1.96 -0.14 -1.26 -4.60 119.74 126.07 2kj4 s LYS 53 Ca 0.52 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 2kj4 s LYS 53 Cb 0.14 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 2kj4 s LYS 53 CO -0.03 0.53 0.00 1.63 -0.76 0.00 0.00 175.35 176.71 2kj4 n LYS 54 N 0.23 0.00 -1.80 1.68 4.76 -1.26 -2.73 118.16 119.03 2kj4 n LYS 54 Ca -0.09 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.25 2kj4 n LYS 54 Cb 0.53 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.79 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 1.75 3.24 -4.77 4.39 6.94 -1.26 -0.54 115.26 125.00 2kj4 n ASN 55 Ca 0.00 -3.32 -0.39 0.00 -0.02 0.00 0.00 54.58 50.85 2kj4 n ASN 55 Cb 0.00 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 36.95 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 -3.25 3.87 0.15 -2.53 2.02 -1.11 -4.39 117.35 112.11 2kj4 s TYR 56 Ca 0.42 1.76 -0.31 0.00 -0.37 0.00 0.00 57.07 58.57 2kj4 s TYR 56 Cb 0.38 -2.87 -0.09 0.00 -0.40 0.00 0.00 41.96 38.98 2kj4 s TYR 56 CO -0.02 0.41 1.49 0.00 -1.57 0.00 0.00 175.55 175.87 2kj4 s ARG 58 N 1.04 1.18 -0.41 0.00 1.81 -0.62 -4.85 118.95 117.10 2kj4 s ARG 58 Ca 0.67 -1.60 0.01 0.00 -1.72 0.00 0.00 55.73 53.10 2kj4 s ARG 58 Cb -0.41 -0.09 0.14 0.00 -0.45 0.00 0.00 34.95 34.14 2kj4 s ARG 58 CO 0.31 -0.24 0.24 1.21 -0.68 0.00 0.00 175.30 176.14 2kj4 s ASN 59 N -3.19 3.21 -0.05 0.23 3.84 -1.25 -0.70 114.94 117.03 2kj4 s ASN 59 Ca 0.31 -2.50 -0.01 0.00 0.21 0.00 0.00 52.86 50.87 2kj4 s ASN 59 Cb 0.07 -0.73 -0.26 0.00 -0.55 0.00 0.00 41.25 39.78 2kj4 s ASN 59 CO 0.08 -0.27 0.66 1.55 -2.79 0.00 0.00 177.10 176.32 2kj4 h PRO 60 N 6.74 0.20 -0.28 0.43 0.13 -1.90 -3.38 132.00 133.93 2kj4 h PRO 60 Ca 0.05 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2kj4 h PRO 60 Cb 0.94 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kj4 h PRO 60 CO 0.38 1.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.76 2kj4 n ASP 61 N -3.37 3.27 -2.32 1.44 5.68 -1.26 -4.96 116.55 115.03 2kj4 n ASP 61 Ca -0.21 -1.97 -0.08 0.00 -0.50 0.00 0.00 54.79 52.03 2kj4 n ASP 61 Cb 1.05 -0.17 0.04 0.00 -1.14 0.00 0.00 41.12 40.89 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 1.40 -1.55 -0.91 0.11 3.00 -1.26 -5.07 116.66 112.37 2kj4 n ARG 62 Ca 0.17 0.42 -0.13 0.00 -0.01 0.00 0.00 57.85 58.31 2kj4 n ARG 62 Cb 0.59 -3.73 0.09 0.00 0.00 0.00 0.00 32.46 29.41 2kj4 n ARG 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kj4 n ASP 63 N -2.28 0.10 -0.10 0.55 -0.08 -1.26 -4.97 116.55 108.52 2kj4 n ASP 63 Ca -0.06 -1.24 -0.01 0.00 -1.51 0.00 0.00 54.79 51.97 2kj4 n ASP 63 Cb 0.56 -0.43 0.26 0.00 2.34 0.00 0.00 41.12 43.85 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 0.68 -7.69 -2.67 3.38 -1.97 -3.45 115.31 103.59 2kj4 h LEU 64 Ca -0.19 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2kj4 h LEU 64 Cb 0.53 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2kj4 h LEU 64 CO 0.14 0.63 0.23 0.00 0.09 0.00 0.00 178.44 179.53 2kj4 s ARG 65 N -5.31 1.62 0.64 1.13 1.70 -1.26 -4.66 118.95 112.81 2kj4 s ARG 65 Ca -0.09 -0.82 -0.18 0.00 -0.47 0.00 0.00 55.73 54.17 2kj4 s ARG 65 Cb 0.16 0.60 -0.03 0.00 -0.57 0.00 0.00 34.95 35.11 2kj4 s ARG 65 CO 0.78 -0.73 0.97 -2.30 -1.08 0.00 0.00 175.30 172.94 2kj4 n PRO 66 N -0.44 0.80 -3.91 3.89 -0.02 -1.20 -4.82 135.00 129.31 2kj4 n PRO 66 Ca -0.08 0.32 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 2kj4 n PRO 66 Cb 0.61 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.96 -0.98 -3.48 6.00 4.27 0.12 -0.25 117.44 121.15 2kj4 n TRP 67 Ca 0.14 -2.38 -0.14 0.00 -3.89 0.00 0.00 57.50 51.23 2kj4 n TRP 67 Cb 0.48 0.36 -0.04 0.00 -1.36 0.00 0.00 31.31 30.75 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 -2.45 3.60 0.12 0.00 0.08 -1.26 -1.60 117.98 116.47 2kj4 s PHE 69 Ca -0.04 1.74 -0.07 0.00 0.12 0.00 0.00 56.93 58.68 2kj4 s PHE 69 Cb -0.01 -2.91 -0.06 0.00 -0.57 0.00 0.00 43.02 39.48 2kj4 s PHE 69 CO -0.02 0.13 0.40 0.95 -0.10 0.00 0.00 175.22 176.58 2kj4 s THR 70 N -1.76 5.12 -1.34 0.64 -4.23 -1.13 0.48 115.64 113.42 2kj4 s THR 70 Ca 0.53 0.23 0.27 0.00 -1.18 0.00 0.00 61.69 61.54 2kj4 s THR 70 Cb -0.16 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.25 2kj4 s THR 70 CO 0.21 0.13 1.62 1.07 -0.54 0.00 0.00 174.62 177.11 2kj4 n THR 71 N 0.40 0.00 -2.23 3.99 5.66 -0.70 -4.51 114.28 116.89 2kj4 n THR 71 Ca -0.04 -0.05 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 2kj4 n THR 71 Cb 0.52 0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 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 -2.75 6.86 0.58 1.09 -1.08 -1.26 -4.85 116.67 115.25 2kj4 s ASP 72 Ca 0.19 2.16 0.38 0.00 -0.52 0.00 0.00 52.55 54.76 2kj4 s ASP 72 Cb 0.19 -2.57 1.87 0.00 -1.46 0.00 0.00 42.92 40.95 2kj4 s ASP 72 CO 0.58 -0.68 2.14 -0.65 0.52 0.00 0.00 175.17 177.09 2kj4 h PRO 73 N 7.45 0.00 0.14 4.34 0.11 -2.00 -2.89 132.00 139.15 2kj4 h PRO 73 Ca -0.39 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.46 2kj4 h PRO 73 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2kj4 h PRO 73 CO 0.88 0.00 -1.25 -0.97 -0.21 0.00 0.00 178.00 176.45 2kj4 h ASN 74 N 0.00 0.45 -3.34 -2.05 -0.00 -1.97 -3.44 115.58 105.23 2kj4 h ASN 74 Ca 0.00 -0.89 -0.56 0.00 -0.00 0.00 0.00 56.30 54.84 2kj4 h ASN 74 Cb 0.21 -0.15 -0.06 0.00 -0.00 0.00 0.00 38.32 38.32 2kj4 h ASN 74 CO 0.00 1.56 0.02 -0.54 -0.00 0.00 0.00 177.43 178.47 2kj4 s LYS 75 N -2.47 4.38 -0.08 6.67 3.01 -1.09 -4.93 119.74 125.22 2kj4 s LYS 75 Ca -0.17 0.78 -0.22 0.00 -1.01 0.00 0.00 55.97 55.34 2kj4 s LYS 75 Cb 0.03 -3.39 -0.29 0.00 -1.01 0.00 0.00 37.83 33.17 2kj4 s LYS 75 CO 0.80 0.23 0.79 -0.09 0.51 0.00 0.00 175.35 177.59 2kj4 h ARG 76 N 6.15 0.22 -3.47 1.68 2.43 -1.87 -3.41 114.38 116.12 2kj4 h ARG 76 Ca -0.43 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 58.33 2kj4 h ARG 76 Cb 1.20 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 2kj4 h ARG 76 CO 0.72 1.18 -0.03 1.67 -1.51 0.00 0.00 179.97 182.00 2kj4 s TRP 77 N -2.39 0.15 0.19 2.20 1.48 -1.26 -2.86 118.94 116.45 2kj4 s TRP 77 Ca -0.16 -0.53 -0.08 0.00 -1.06 0.00 0.00 56.10 54.26 2kj4 s TRP 77 Cb 0.01 0.32 -0.01 0.00 -1.16 0.00 0.00 33.47 32.62 2kj4 s TRP 77 CO 0.78 -1.00 0.30 -1.21 -4.06 0.00 0.00 176.95 171.76 2kj4 s GLU 78 N -3.96 1.25 0.57 3.25 2.02 -0.63 -4.82 118.70 116.38 2kj4 s GLU 78 Ca 0.17 -1.27 -0.11 0.00 0.02 0.00 0.00 54.97 53.78 2kj4 s GLU 78 Cb -0.01 0.38 -0.05 0.00 0.10 0.00 0.00 34.13 34.55 2kj4 s GLU 78 CO 0.05 -0.47 0.97 0.71 0.02 0.00 0.00 175.26 176.55 2kj4 s TYR 79 N -4.01 3.58 0.08 1.61 2.02 -1.26 -1.30 117.35 118.06 2kj4 s TYR 79 Ca 0.22 1.23 0.06 0.00 -0.37 0.00 0.00 57.07 58.22 2kj4 s TYR 79 Cb 0.03 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 2kj4 s TYR 79 CO 0.04 -0.55 -0.10 0.00 -1.57 0.00 0.00 175.55 173.37 2kj4 s ASP 81 N -1.99 6.07 -0.10 0.00 2.15 -1.26 -4.57 116.67 116.96 2kj4 s ASP 81 Ca 0.20 -1.53 -0.13 0.00 0.43 0.00 0.00 52.55 51.52 2kj4 s ASP 81 Cb -0.11 -2.16 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 2kj4 s ASP 81 CO 0.12 -0.70 0.30 -0.63 -0.17 0.00 0.00 175.17 174.09 2kj4 s ILE 82 N 1.59 5.26 -0.30 4.11 -1.09 -1.26 -4.98 121.20 124.53 2kj4 s ILE 82 Ca 0.04 0.59 -0.42 0.00 -2.23 0.00 0.00 60.65 58.63 2kj4 s ILE 82 Cb -0.26 -3.62 -0.17 0.00 -1.58 0.00 0.00 42.46 36.83 2kj4 s ILE 82 CO 0.04 0.49 1.65 -2.65 -1.23 0.00 0.00 174.94 173.25 2kj4 n PRO 83 N 2.73 0.82 -3.34 2.79 -0.02 -1.26 -4.89 135.00 131.82 2kj4 n PRO 83 Ca -0.14 0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 61.26 2kj4 n PRO 83 Cb 0.53 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.04 4.28 0.02 -0.52 6.06 -1.26 -0.30 118.95 130.27 2kj4 s ARG 84 Ca 0.99 0.46 0.00 0.00 -2.50 0.00 0.00 55.73 54.69 2kj4 s ARG 84 Cb -1.18 -3.39 -0.02 0.00 0.06 0.00 0.00 34.95 30.42 2kj4 s ARG 84 CO 0.68 0.26 -0.03 0.00 -2.50 0.00 0.00 175.30 173.71 2kj4 n ALA 86 N 1.95 2.28 0.33 0.00 0.00 -1.26 -1.06 120.51 122.75 2kj4 n ALA 86 Ca -0.21 -2.42 0.04 0.00 0.00 0.00 0.00 53.44 50.85 2kj4 n ALA 86 Cb 0.56 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.65 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50