#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 -9.59 0.82 -3.48 0.31 -1.26 -4.97 118.33 100.17 2kj4 n VAL 2 Ca 0.00 0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.70 2kj4 n VAL 2 Cb 0.00 -6.73 0.10 0.00 -0.91 0.00 0.00 33.84 26.30 2kj4 n VAL 2 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kj4 n GLU 3 N -1.05 0.12 -2.81 5.55 -0.58 -1.26 -4.88 120.64 115.73 2kj4 n GLU 3 Ca 0.05 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 2kj4 n GLU 3 Cb 0.46 -1.55 -0.07 0.00 -0.57 0.00 0.00 31.44 29.72 2kj4 n GLU 3 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2kj4 s PHE 4 N -3.08 3.56 0.21 -0.32 -0.12 -1.26 -4.96 117.98 112.01 2kj4 s PHE 4 Ca 0.08 1.70 0.19 0.00 -0.05 0.00 0.00 56.93 58.85 2kj4 s PHE 4 Cb 0.16 -2.88 0.78 0.00 -0.63 0.00 0.00 43.02 40.45 2kj4 s PHE 4 CO 0.77 0.11 1.78 0.66 -0.05 0.00 0.00 175.22 178.49 2kj4 h SER 5 N 2.75 0.00 -0.84 1.98 4.64 -2.04 -3.36 113.55 116.68 2kj4 h SER 5 Ca -0.48 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.13 2kj4 h SER 5 Cb 1.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 2kj4 h SER 5 CO 0.64 0.34 2.39 -0.62 -0.87 0.00 0.00 176.83 178.70 2kj4 n GLU 6 N -3.59 3.18 0.00 4.77 1.02 -1.26 -4.70 120.64 120.06 2kj4 n GLU 6 Ca -0.01 -3.16 -0.00 0.00 -0.02 0.00 0.00 57.16 53.97 2kj4 n GLU 6 Cb 0.47 -3.25 -0.00 0.00 -0.02 0.00 0.00 31.44 28.64 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kj4 h GLU 7 N 6.59 -0.01 -2.07 3.49 5.08 -1.94 -3.46 114.58 122.25 2kj4 h GLU 7 Ca 0.46 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 59.01 2kj4 h GLU 7 Cb 0.74 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.87 2kj4 h GLU 7 CO 1.62 -0.01 0.58 0.00 -1.00 0.00 0.00 179.01 180.20 2kj4 s MET 9 N -2.99 2.66 -0.11 0.00 1.75 0.22 -4.83 119.30 116.00 2kj4 s MET 9 Ca 0.10 -1.40 -0.03 0.00 -1.25 0.00 0.00 55.69 53.11 2kj4 s MET 9 Cb -0.00 -2.48 -0.03 0.00 2.84 0.00 0.00 34.83 35.15 2kj4 s MET 9 CO -0.03 -0.11 0.03 -1.58 -0.65 0.00 0.00 175.02 172.68 2kj4 s HIS 10 N -2.39 3.22 0.00 4.11 2.46 -1.26 -0.64 115.29 120.79 2kj4 s HIS 10 Ca 0.47 0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.18 2kj4 s HIS 10 Cb -0.05 -1.86 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 2kj4 s HIS 10 CO 0.28 0.43 0.00 0.41 -2.47 0.00 0.00 174.74 173.39 2kj4 n GLY 11 N 2.41 3.91 0.45 1.59 0.00 -1.26 -0.61 105.19 111.68 2kj4 n GLY 11 Ca -0.18 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 9.10 1.94 0.00 1.61 7.64 -1.26 -4.81 113.62 127.84 2kj4 n SER 12 Ca 0.00 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.41 2kj4 n SER 12 Cb 0.00 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 1.43 1.18 0.22 0.23 0.00 0.21 -3.71 105.19 104.75 2kj4 n GLY 13 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 2.18 0.00 -0.08 1.61 4.81 -1.68 -2.34 114.58 119.07 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 0.27 0.00 -1.71 -0.73 0.00 0.00 179.01 176.84 2kj4 n ASN 15 N -3.75 0.53 -4.68 1.04 4.05 -1.26 -4.63 115.26 106.57 2kj4 n ASN 15 Ca -0.01 -1.80 -0.42 0.00 0.45 0.00 0.00 54.58 52.80 2kj4 n ASN 15 Cb 0.38 -0.05 -0.03 0.00 1.23 0.00 0.00 39.78 41.31 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 -1.89 3.45 -0.49 1.20 5.04 -0.88 -4.94 117.35 118.83 2kj4 s TYR 16 Ca 0.16 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.34 2kj4 s TYR 16 Cb 0.08 -3.18 0.19 0.00 0.35 0.00 0.00 41.96 39.40 2kj4 s TYR 16 CO 0.12 -0.30 0.45 -3.47 -1.34 0.00 0.00 175.55 171.01 2kj4 n ASP 17 N 5.41 0.82 -4.86 4.32 2.03 -1.26 -4.66 116.55 118.35 2kj4 n ASP 17 Ca 0.09 -2.72 -0.26 0.00 0.52 0.00 0.00 54.79 52.42 2kj4 n ASP 17 Cb 0.48 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.76 2.37 -0.02 0.27 0.00 -1.26 -5.02 107.32 102.89 2kj4 s GLY 18 Ca 0.32 -1.46 0.21 0.00 0.00 0.00 0.00 44.72 43.79 2kj4 s GLY 18 CO -0.16 -1.91 1.52 0.28 0.00 0.00 0.00 173.10 172.83 2kj4 n LYS 19 N -1.60 2.92 -1.97 2.90 5.02 -1.26 -4.60 118.16 119.57 2kj4 n LYS 19 Ca -0.02 -2.64 -0.43 0.00 -2.02 0.00 0.00 58.31 53.20 2kj4 n LYS 19 Cb 0.64 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.16 3.48 -0.67 -0.18 1.01 -1.26 -4.78 121.20 117.64 2kj4 s ILE 20 Ca 0.47 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.72 2kj4 s ILE 20 Cb 0.25 -3.49 0.13 0.00 0.01 0.00 0.00 42.46 39.37 2kj4 s ILE 20 CO 0.30 -0.20 0.98 -1.20 0.00 0.00 0.00 174.94 174.81 2kj4 n SER 21 N 8.83 2.16 -4.34 3.58 7.64 -1.26 0.23 113.62 130.46 2kj4 n SER 21 Ca 0.21 -1.71 -0.31 0.00 1.01 0.00 0.00 58.87 58.06 2kj4 n SER 21 Cb 0.45 -0.08 -0.15 0.00 -1.01 0.00 0.00 64.21 63.41 2kj4 n SER 21 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kj4 s LYS 22 N -0.83 2.16 0.00 1.43 1.02 -1.26 -0.18 119.74 122.09 2kj4 s LYS 22 Ca 0.12 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2kj4 s LYS 22 Cb 0.07 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 2kj4 s LYS 22 CO 0.09 0.57 0.00 0.25 -0.92 0.00 0.00 175.35 175.34 2kj4 n THR 23 N 2.37 0.00 0.24 2.17 -2.24 0.69 -4.74 114.28 112.77 2kj4 n THR 23 Ca -0.16 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2kj4 n THR 23 Cb 0.51 -1.91 0.57 0.00 -2.10 0.00 0.00 70.33 67.40 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 0.01 -0.01 -0.78 -0.00 -0.76 0.21 114.93 113.61 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 0.09 -0.31 0.43 -0.00 0.00 0.00 176.91 177.12 2kj4 n SER 25 N -4.44 0.84 -0.13 -0.10 7.64 -1.26 -4.89 113.62 111.27 2kj4 n SER 25 Ca -0.03 -0.68 -0.01 0.00 1.01 0.00 0.00 58.87 59.16 2kj4 n SER 25 Cb 0.16 0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 1.38 0.43 3.88 0.23 0.00 0.06 -5.03 105.19 106.15 2kj4 n GLY 26 Ca 0.10 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.37 3.71 0.07 0.99 1.43 -1.26 -4.56 118.68 118.69 2kj4 s LEU 27 Ca 0.00 1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 54.05 2kj4 s LEU 27 Cb 0.00 -4.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 2kj4 s LEU 27 CO 0.00 -0.50 0.64 -0.70 0.23 0.00 0.00 176.35 176.02 2kj4 s GLU 28 N -4.16 4.34 0.57 1.70 2.12 -1.26 -0.22 118.70 121.78 2kj4 s GLU 28 Ca 0.52 0.86 -0.15 0.00 0.36 0.00 0.00 54.97 56.55 2kj4 s GLU 28 Cb -0.10 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2kj4 s GLU 28 CO 0.36 0.51 1.02 0.00 -0.54 0.00 0.00 175.26 176.60 2kj4 s GLN 30 N -4.27 4.13 0.20 0.00 0.74 0.15 -4.54 119.66 116.07 2kj4 s GLN 30 Ca 0.60 0.45 -0.32 0.00 0.05 0.00 0.00 55.36 56.13 2kj4 s GLN 30 Cb -0.12 -3.32 -0.13 0.00 1.10 0.00 0.00 33.01 30.54 2kj4 s GLN 30 CO 0.37 0.46 1.66 0.00 -0.55 0.00 0.00 175.29 177.23 2kj4 n ALA 31 N 2.60 2.30 0.26 1.58 0.00 -1.26 -4.50 120.51 121.50 2kj4 n ALA 31 Ca -0.11 0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.85 2kj4 n ALA 31 Cb 0.52 -2.46 0.71 0.00 0.00 0.00 0.00 19.45 18.22 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 6.29 0.00 0.00 0.00 4.06 -0.80 -0.36 115.95 125.14 2kj4 h TRP 32 Ca -0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 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 0.63 0.00 0.00 -3.47 -3.56 0.00 0.00 178.44 172.04 2kj4 n ASP 33 N -4.36 0.00 -4.19 -3.49 2.03 -1.26 -4.33 116.55 100.96 2kj4 n ASP 33 Ca -0.03 -0.09 -0.26 0.00 0.52 0.00 0.00 54.79 54.93 2kj4 n ASP 33 Cb 0.10 -0.29 -0.15 0.00 -0.72 0.00 0.00 41.12 40.06 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 -2.57 2.21 -0.32 1.67 0.15 -0.15 -4.99 113.70 109.70 2kj4 s SER 34 Ca 0.25 -0.35 0.10 0.00 0.70 0.00 0.00 55.95 56.66 2kj4 s SER 34 Cb 0.18 -0.24 0.71 0.00 -1.71 0.00 0.00 66.02 64.96 2kj4 s SER 34 CO 0.41 0.23 1.76 0.00 1.20 0.00 0.00 173.24 176.84 2kj4 n GLN 35 N 2.59 3.41 -4.01 5.44 6.02 -1.26 -4.71 117.38 124.85 2kj4 n GLN 35 Ca -0.15 -3.08 -0.25 0.00 -0.01 0.00 0.00 57.00 53.51 2kj4 n GLN 35 Cb 0.54 -2.16 -0.17 0.00 1.02 0.00 0.00 30.24 29.47 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kj4 s SER 36 N -1.26 1.95 -0.04 1.08 0.01 -1.26 -3.07 113.70 111.11 2kj4 s SER 36 Ca 0.54 -0.26 0.12 0.00 1.31 0.00 0.00 55.95 57.66 2kj4 s SER 36 Cb 0.43 -0.76 -0.23 0.00 0.21 0.00 0.00 66.02 65.68 2kj4 s SER 36 CO 0.12 -0.10 0.68 1.55 0.41 0.00 0.00 173.24 175.89 2kj4 h PRO 37 N 7.94 0.01 -5.46 12.44 0.13 -1.88 -3.44 132.00 141.74 2kj4 h PRO 37 Ca -0.29 -0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 2kj4 h PRO 37 Cb 1.14 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 2kj4 h PRO 37 CO 0.40 0.53 -0.15 -1.01 -0.23 0.00 0.00 178.00 177.54 2kj4 s HIS 38 N -2.60 3.37 0.16 1.56 3.76 -1.25 -5.04 115.29 115.26 2kj4 s HIS 38 Ca -0.05 0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 55.22 2kj4 s HIS 38 Cb 0.08 -2.57 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 2kj4 s HIS 38 CO 0.82 -0.04 1.27 0.00 -0.85 0.00 0.00 174.74 175.95 2kj4 s ALA 39 N 1.41 3.49 0.22 -1.40 0.00 -1.18 -4.52 121.76 119.78 2kj4 s ALA 39 Ca 0.21 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 2kj4 s ALA 39 Cb -0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2kj4 s ALA 39 CO 0.09 -0.49 0.38 -3.38 0.00 0.00 0.00 175.76 172.35 2kj4 s HIS 40 N 0.33 0.53 -2.15 0.00 -3.43 -1.26 -5.04 115.29 104.27 2kj4 s HIS 40 Ca 0.57 -0.86 0.19 0.00 -0.80 0.00 0.00 55.06 54.16 2kj4 s HIS 40 Cb -0.34 -0.01 0.30 0.00 -1.43 0.00 0.00 32.58 31.10 2kj4 s HIS 40 CO 0.35 -0.88 1.25 0.41 -2.00 0.00 0.00 174.74 173.87 2kj4 n GLY 41 N -0.33 1.32 3.22 -1.38 0.00 -1.26 -4.71 105.19 102.05 2kj4 n GLY 41 Ca -0.02 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 1.18 4.15 -3.22 1.61 4.02 -1.26 -4.93 117.16 118.71 2kj4 n TYR 42 Ca 0.15 -3.10 -0.39 0.00 -0.01 0.00 0.00 57.90 54.55 2kj4 n TYR 42 Cb 0.52 -2.14 -0.06 0.00 -0.02 0.00 0.00 39.34 37.64 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 1.34 5.13 -0.15 -0.72 -1.09 -1.26 -4.65 121.20 119.80 2kj4 s ILE 43 Ca 0.42 1.11 0.24 0.00 -2.23 0.00 0.00 60.65 60.20 2kj4 s ILE 43 Cb 0.03 -3.89 0.24 0.00 -1.58 0.00 0.00 42.46 37.26 2kj4 s ILE 43 CO 0.01 0.28 1.73 -0.65 -1.23 0.00 0.00 174.94 175.08 2kj4 h PRO 44 N 6.81 0.00 -0.05 2.79 0.11 -1.82 -0.66 132.00 139.18 2kj4 h PRO 44 Ca -0.40 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.52 2kj4 h PRO 44 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2kj4 h PRO 44 CO 0.76 0.00 -0.77 0.77 -0.21 0.00 0.00 178.00 178.55 2kj4 h SER 45 N 0.00 0.38 0.13 -2.05 0.02 -1.93 -2.96 113.55 107.15 2kj4 h SER 45 Ca 0.00 -0.27 -0.25 0.00 -0.84 0.00 0.00 61.79 60.43 2kj4 h SER 45 Cb 0.04 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2kj4 h SER 45 CO 0.00 1.01 -2.12 2.29 -1.14 0.00 0.00 176.83 176.88 2kj4 n LYS 46 N -3.79 0.67 -3.39 3.45 2.85 -0.35 -4.55 118.16 113.04 2kj4 n LYS 46 Ca -0.04 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.96 2kj4 n LYS 46 Cb 0.73 -1.58 -0.08 0.00 -0.65 0.00 0.00 35.03 33.45 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 -2.68 2.79 0.10 5.58 3.72 -0.62 -4.91 117.46 121.44 2kj4 n PHE 47 Ca -0.22 -4.04 -0.14 0.00 -0.05 0.00 0.00 57.45 53.00 2kj4 n PHE 47 Cb 0.97 -0.51 -0.12 0.00 -0.94 0.00 0.00 39.48 38.89 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 4.20 0.26 0.00 -1.08 0.13 -1.76 -3.33 132.00 130.43 2kj4 h PRO 48 Ca 0.17 -0.41 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2kj4 h PRO 48 Cb 0.71 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kj4 h PRO 48 CO 0.75 1.17 -0.07 -2.95 -0.23 0.00 0.00 178.00 176.68 2kj4 h ASN 49 N 0.09 0.00 -0.09 1.44 7.08 -1.91 -0.28 115.58 121.92 2kj4 h ASN 49 Ca -0.11 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.11 2kj4 h ASN 49 Cb 1.87 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.11 2kj4 h ASN 49 CO 0.19 0.07 0.00 0.29 -2.08 0.00 0.00 177.43 175.90 2kj4 n LYS 50 N -3.40 1.64 -3.05 4.14 4.76 -1.25 -4.94 118.16 116.07 2kj4 n LYS 50 Ca -0.02 -0.95 -0.13 0.00 -2.87 0.00 0.00 58.31 54.34 2kj4 n LYS 50 Cb 0.22 -1.43 0.06 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.16 -5.37 -4.58 4.39 2.85 -0.11 -4.77 115.26 107.84 2kj4 n ASN 51 Ca 0.18 -0.60 -0.39 0.00 -0.11 0.00 0.00 54.58 53.65 2kj4 n ASN 51 Cb 0.32 -4.56 -0.02 0.00 1.24 0.00 0.00 39.78 36.77 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kj4 s LEU 52 N -5.18 3.64 -0.05 1.20 1.02 -1.25 -4.94 118.68 113.11 2kj4 s LEU 52 Ca 0.33 -2.24 0.03 0.00 0.02 0.00 0.00 54.13 52.28 2kj4 s LEU 52 Cb -0.04 -2.58 -0.03 0.00 0.02 0.00 0.00 46.19 43.56 2kj4 s LEU 52 CO 0.64 -1.65 -0.12 -0.54 0.02 0.00 0.00 176.35 174.69 2kj4 s LYS 53 N 4.80 2.56 2.34 1.70 -0.14 -1.26 -4.63 119.74 125.10 2kj4 s LYS 53 Ca 0.57 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 2kj4 s LYS 53 Cb 0.03 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 2kj4 s LYS 53 CO 0.09 0.63 0.00 1.63 -0.76 0.00 0.00 175.35 176.94 2kj4 n LYS 54 N 2.26 0.00 -0.74 1.68 4.76 -1.26 -2.44 118.16 122.42 2kj4 n LYS 54 Ca -0.17 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.29 2kj4 n LYS 54 Cb 0.52 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.91 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 1.93 2.06 -4.76 4.39 6.94 -1.26 -0.07 115.26 124.49 2kj4 n ASN 55 Ca 0.00 -3.89 -0.39 0.00 -0.02 0.00 0.00 54.58 50.28 2kj4 n ASN 55 Cb 0.00 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 36.84 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 -3.27 3.76 0.31 -2.53 2.02 -1.02 -4.48 117.35 112.14 2kj4 s TYR 56 Ca 0.40 1.42 -0.29 0.00 -0.37 0.00 0.00 57.07 58.22 2kj4 s TYR 56 Cb 0.38 -2.73 -0.11 0.00 -0.40 0.00 0.00 41.96 39.10 2kj4 s TYR 56 CO -0.06 0.37 1.51 0.00 -1.57 0.00 0.00 175.55 175.80 2kj4 s ARG 58 N -0.95 1.53 -0.46 0.00 1.81 -0.93 -4.50 118.95 115.44 2kj4 s ARG 58 Ca 0.59 -1.79 0.03 0.00 -1.72 0.00 0.00 55.73 52.84 2kj4 s ARG 58 Cb -0.45 0.32 0.16 0.00 -0.45 0.00 0.00 34.95 34.52 2kj4 s ARG 58 CO 0.51 -0.55 0.33 1.21 -0.68 0.00 0.00 175.30 176.11 2kj4 s ASN 59 N -3.25 2.68 0.09 0.23 3.84 -1.24 -1.08 114.94 116.20 2kj4 s ASN 59 Ca 0.38 -2.98 0.12 0.00 0.21 0.00 0.00 52.86 50.59 2kj4 s ASN 59 Cb 0.04 -0.75 -0.15 0.00 -0.55 0.00 0.00 41.25 39.84 2kj4 s ASN 59 CO 0.19 -0.20 1.03 1.55 -2.79 0.00 0.00 177.10 176.89 2kj4 h PRO 60 N 6.02 0.00 -0.01 0.43 0.13 -1.87 -3.33 132.00 133.37 2kj4 h PRO 60 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2kj4 h PRO 60 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kj4 h PRO 60 CO 0.43 0.62 -0.38 -0.40 -0.23 0.00 0.00 178.00 178.05 2kj4 n ASP 61 N -3.14 1.52 -2.41 1.44 5.75 -1.26 -4.92 116.55 113.52 2kj4 n ASP 61 Ca -0.07 -1.26 -0.07 0.00 -0.01 0.00 0.00 54.79 53.38 2kj4 n ASP 61 Cb 0.92 0.53 0.03 0.00 -1.03 0.00 0.00 41.12 41.57 2kj4 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kj4 n ARG 62 N -0.26 -1.13 0.00 0.11 1.74 -1.26 -5.07 116.66 110.79 2kj4 n ARG 62 Ca 0.06 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2kj4 n ARG 62 Cb 0.33 -3.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.97 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 -2.29 -0.34 0.14 0.55 -0.08 -1.26 -4.95 116.55 108.32 2kj4 n ASP 63 Ca -0.03 -0.56 0.13 0.00 -1.51 0.00 0.00 54.79 52.82 2kj4 n ASP 63 Cb 0.56 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.38 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 0.00 -7.00 -2.67 4.07 -1.97 -3.46 115.31 104.28 2kj4 h LEU 64 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 2kj4 h LEU 64 Cb 0.00 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 41.52 2kj4 h LEU 64 CO 0.00 0.00 0.50 -0.60 -1.08 0.00 0.00 178.44 177.26 2kj4 s ARG 65 N -3.16 0.67 0.91 1.13 3.52 -1.26 -4.99 118.95 115.77 2kj4 s ARG 65 Ca 0.09 0.13 -0.12 0.00 -0.13 0.00 0.00 55.73 55.70 2kj4 s ARG 65 Cb 0.10 0.32 0.06 0.00 -1.56 0.00 0.00 34.95 33.87 2kj4 s ARG 65 CO 0.60 -0.22 0.66 -2.30 -0.81 0.00 0.00 175.30 173.23 2kj4 n PRO 66 N 0.69 -0.25 -3.82 5.12 -0.02 -1.24 -4.81 135.00 130.66 2kj4 n PRO 66 Ca -0.11 -0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.29 2kj4 n PRO 66 Cb 0.58 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.39 -0.09 0.11 6.00 1.48 -0.24 0.21 118.94 124.02 2kj4 s TRP 67 Ca 0.61 -0.38 -0.24 0.00 -1.06 0.00 0.00 56.10 55.04 2kj4 s TRP 67 Cb -0.23 0.72 0.07 0.00 -1.16 0.00 0.00 33.47 32.86 2kj4 s TRP 67 CO 0.63 -1.18 0.59 0.00 -4.06 0.00 0.00 176.95 172.93 2kj4 s PHE 69 N -3.22 3.68 0.14 0.00 0.08 -1.26 -1.40 117.98 115.99 2kj4 s PHE 69 Ca -0.01 1.78 -0.14 0.00 0.12 0.00 0.00 56.93 58.68 2kj4 s PHE 69 Cb -0.01 -3.02 -0.07 0.00 -0.57 0.00 0.00 43.02 39.35 2kj4 s PHE 69 CO -0.08 0.02 0.53 0.99 -0.10 0.00 0.00 175.22 176.58 2kj4 s THR 70 N -1.45 4.88 -1.92 0.64 2.01 0.17 0.32 115.64 120.30 2kj4 s THR 70 Ca 0.48 0.80 0.29 0.00 0.31 0.00 0.00 61.69 63.57 2kj4 s THR 70 Cb -0.23 -3.73 0.54 0.00 0.01 0.00 0.00 72.50 69.09 2kj4 s THR 70 CO 0.29 0.26 1.87 1.07 -0.69 0.00 0.00 174.62 177.42 2kj4 n THR 71 N 0.85 0.00 -2.36 -0.82 5.66 -0.64 -4.50 114.28 112.47 2kj4 n THR 71 Ca -0.06 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.42 2kj4 n THR 71 Cb 0.52 0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.28 6.96 0.54 1.09 2.15 -1.26 -4.87 116.67 119.00 2kj4 s ASP 72 Ca 0.34 1.93 0.25 0.00 0.43 0.00 0.00 52.55 55.50 2kj4 s ASP 72 Cb 0.21 -2.56 1.43 0.00 -0.30 0.00 0.00 42.92 41.69 2kj4 s ASP 72 CO 0.43 -0.65 2.01 -0.65 -0.17 0.00 0.00 175.17 176.14 2kj4 h PRO 73 N 7.67 0.00 0.08 4.34 0.11 -2.01 -1.94 132.00 140.25 2kj4 h PRO 73 Ca -0.35 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.46 2kj4 h PRO 73 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2kj4 h PRO 73 CO 0.90 0.00 -1.57 -0.97 -0.21 0.00 0.00 178.00 176.14 2kj4 h ASN 74 N 0.00 0.25 -3.43 -2.05 -0.73 -1.96 -3.45 115.58 104.22 2kj4 h ASN 74 Ca 0.21 -0.40 -0.60 0.00 1.87 0.00 0.00 56.30 57.39 2kj4 h ASN 74 Cb 0.90 -0.08 -0.11 0.00 0.27 0.00 0.00 38.32 39.29 2kj4 h ASN 74 CO -0.00 1.34 -0.29 -0.75 -0.37 0.00 0.00 177.43 177.36 2kj4 s LYS 75 N -2.62 4.19 -0.15 6.67 2.47 -0.73 -4.98 119.74 124.60 2kj4 s LYS 75 Ca -0.08 0.10 -0.20 0.00 -1.56 0.00 0.00 55.97 54.23 2kj4 s LYS 75 Cb 0.07 -3.50 -0.17 0.00 -1.46 0.00 0.00 37.83 32.77 2kj4 s LYS 75 CO 0.83 0.07 0.42 -0.09 0.16 0.00 0.00 175.35 176.74 2kj4 h ARG 76 N 7.15 0.00 -3.88 4.03 2.43 -1.87 -3.37 114.38 118.87 2kj4 h ARG 76 Ca -0.38 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.69 2kj4 h ARG 76 Cb 1.16 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.59 2kj4 h ARG 76 CO 0.72 0.72 -0.33 1.67 -1.51 0.00 0.00 179.97 181.24 2kj4 s TRP 77 N -2.12 0.37 0.14 2.20 1.48 -1.26 -0.65 118.94 119.09 2kj4 s TRP 77 Ca -0.17 -0.74 -0.06 0.00 -1.06 0.00 0.00 56.10 54.06 2kj4 s TRP 77 Cb -0.00 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.23 2kj4 s TRP 77 CO 0.49 -0.69 0.19 -1.21 -4.06 0.00 0.00 176.95 171.67 2kj4 s GLU 78 N -3.95 1.02 0.55 3.25 2.02 -0.49 -4.82 118.70 116.28 2kj4 s GLU 78 Ca 0.16 -1.22 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 2kj4 s GLU 78 Cb 0.04 0.33 -0.05 0.00 0.10 0.00 0.00 34.13 34.54 2kj4 s GLU 78 CO -0.01 -0.34 0.95 0.71 0.02 0.00 0.00 175.26 176.59 2kj4 s TYR 79 N -3.97 3.57 -0.11 1.61 2.02 -1.26 -1.52 117.35 117.69 2kj4 s TYR 79 Ca 0.17 1.20 -0.03 0.00 -0.37 0.00 0.00 57.07 58.03 2kj4 s TYR 79 Cb 0.05 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 2kj4 s TYR 79 CO -0.02 -0.50 0.01 0.00 -1.57 0.00 0.00 175.55 173.47 2kj4 s ASP 81 N -0.45 6.75 -0.13 0.00 2.15 -1.26 -4.57 116.67 119.16 2kj4 s ASP 81 Ca 0.08 -2.32 0.01 0.00 0.43 0.00 0.00 52.55 50.75 2kj4 s ASP 81 Cb -0.12 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2kj4 s ASP 81 CO 0.02 -0.97 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.27 2kj4 s ILE 82 N 2.33 1.57 0.44 4.11 1.01 -1.26 -4.98 121.20 124.41 2kj4 s ILE 82 Ca 0.35 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 2kj4 s ILE 82 Cb -0.04 -1.45 -0.11 0.00 0.01 0.00 0.00 42.46 40.87 2kj4 s ILE 82 CO -0.07 0.46 0.84 -2.65 0.00 0.00 0.00 174.94 173.52 2kj4 n PRO 83 N 4.48 1.02 -5.11 2.79 -0.02 -1.26 -4.82 135.00 132.08 2kj4 n PRO 83 Ca -0.18 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.38 2kj4 n PRO 83 Cb 0.51 -1.86 -0.16 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.93 2.14 0.48 -0.52 3.52 -1.26 0.71 118.95 122.09 2kj4 s ARG 84 Ca 0.64 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 55.50 2kj4 s ARG 84 Cb -0.56 -1.89 0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2kj4 s ARG 84 CO 0.56 0.38 0.66 0.00 -0.81 0.00 0.00 175.30 176.09 2kj4 n ALA 86 N -2.07 4.45 -0.02 0.00 0.00 -1.26 -4.45 120.51 117.16 2kj4 n ALA 86 Ca 0.09 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.87 2kj4 n ALA 86 Cb 0.59 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50