#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 0.12 2.97 3.14 -1.26 -4.92 118.33 118.38 2kj4 n VAL 2 Ca 0.00 -0.12 -0.01 0.00 -2.96 0.00 0.00 64.34 61.25 2kj4 n VAL 2 Cb 0.00 0.36 0.07 0.00 -1.06 0.00 0.00 33.84 33.21 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 0.12 0.00 -7.06 1.45 3.07 -2.11 -3.44 114.58 106.62 2kj4 h GLU 3 Ca -0.20 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.18 2kj4 h GLU 3 Cb 1.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 2kj4 h GLU 3 CO -0.07 0.66 0.27 -0.06 -1.40 0.00 0.00 179.01 178.40 2kj4 s PHE 4 N -3.15 3.47 -1.36 4.33 0.08 -1.26 -4.95 117.98 115.15 2kj4 s PHE 4 Ca 0.01 1.27 -0.15 0.00 0.12 0.00 0.00 56.93 58.18 2kj4 s PHE 4 Cb 0.10 -2.63 0.08 0.00 -0.57 0.00 0.00 43.02 40.00 2kj4 s PHE 4 CO 0.76 -0.28 1.94 0.43 -0.10 0.00 0.00 175.22 177.96 2kj4 n SER 5 N -1.57 4.53 -2.16 1.36 7.64 -1.26 -4.68 113.62 117.49 2kj4 n SER 5 Ca 0.05 -2.92 -0.27 0.00 1.01 0.00 0.00 58.87 56.74 2kj4 n SER 5 Cb 0.54 -1.66 0.09 0.00 -1.01 0.00 0.00 64.21 62.18 2kj4 n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kj4 n GLU 6 N 6.57 2.32 -2.47 1.43 1.02 -1.26 -4.83 120.64 123.42 2kj4 n GLU 6 Ca 0.48 -2.72 -0.43 0.00 -0.02 0.00 0.00 57.16 54.47 2kj4 n GLU 6 Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kj4 n GLU 7 N -0.66 3.33 -3.49 3.49 -0.58 -1.26 -4.79 120.64 116.68 2kj4 n GLU 7 Ca 0.53 -3.42 -0.10 0.00 -0.42 0.00 0.00 57.16 53.74 2kj4 n GLU 7 Cb 0.91 -3.13 -0.02 0.00 -0.57 0.00 0.00 31.44 28.62 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 -3.56 3.53 0.40 0.00 1.75 0.12 -4.90 119.30 116.64 2kj4 s MET 9 Ca 0.03 -0.31 0.12 0.00 -1.25 0.00 0.00 55.69 54.29 2kj4 s MET 9 Cb -0.01 -2.90 0.95 0.00 2.84 0.00 0.00 34.83 35.70 2kj4 s MET 9 CO -0.10 0.48 1.93 1.25 -0.65 0.00 0.00 175.02 177.93 2kj4 h HIS 10 N 2.51 0.58 0.00 4.11 2.76 -1.92 -3.34 115.15 119.85 2kj4 h HIS 10 Ca -0.47 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2kj4 h HIS 10 Cb 1.18 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.95 2kj4 h HIS 10 CO 0.58 0.25 0.00 0.41 -1.30 0.00 0.00 177.93 177.88 2kj4 n GLY 11 N -1.49 3.99 0.16 5.26 0.00 -1.26 -4.98 105.19 106.87 2kj4 n GLY 11 Ca 0.13 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 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 0.83 0.60 0.00 1.61 4.64 -1.98 -3.47 113.55 115.78 2kj4 h SER 12 Ca 0.00 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 2kj4 h SER 12 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2kj4 h SER 12 CO 0.00 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.80 2kj4 n GLY 13 N 0.92 3.07 0.29 -0.77 0.00 -1.26 -4.68 105.19 102.76 2kj4 n GLY 13 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 1.15 1.04 -0.05 1.61 5.08 -1.92 -2.57 114.58 118.93 2kj4 h GLU 14 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2kj4 h GLU 14 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2kj4 h GLU 14 CO 0.00 1.09 0.00 0.09 -1.00 0.00 0.00 179.01 179.19 2kj4 n ASN 15 N -4.14 0.38 -4.60 1.42 4.13 -1.26 -4.77 115.26 106.43 2kj4 n ASN 15 Ca 0.01 -1.73 -0.42 0.00 1.68 0.00 0.00 54.58 54.12 2kj4 n ASN 15 Cb 0.42 -0.04 -0.05 0.00 -1.54 0.00 0.00 39.78 38.57 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2kj4 s TYR 16 N -1.93 3.15 -0.53 3.10 5.04 -0.98 -4.92 117.35 120.28 2kj4 s TYR 16 Ca 0.17 0.69 0.07 0.00 -2.44 0.00 0.00 57.07 55.56 2kj4 s TYR 16 Cb 0.08 -3.35 0.25 0.00 0.35 0.00 0.00 41.96 39.29 2kj4 s TYR 16 CO 0.13 -0.67 0.63 -3.47 -1.34 0.00 0.00 175.55 170.84 2kj4 n ASP 17 N 6.37 2.09 -4.87 4.32 2.03 -1.26 -4.85 116.55 120.38 2kj4 n ASP 17 Ca 0.04 -3.09 -0.25 0.00 0.52 0.00 0.00 54.79 52.01 2kj4 n ASP 17 Cb 0.48 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.20 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 -1.84 2.35 -0.03 0.27 0.00 -1.26 -5.03 107.32 101.78 2kj4 s GLY 18 Ca 0.37 -1.47 0.15 0.00 0.00 0.00 0.00 44.72 43.78 2kj4 s GLY 18 CO -0.06 -1.91 1.40 0.58 0.00 0.00 0.00 173.10 173.11 2kj4 n LYS 19 N -1.63 2.57 -2.08 2.90 0.00 -1.26 -4.78 118.16 113.89 2kj4 n LYS 19 Ca -0.01 -2.02 -0.43 0.00 -0.00 0.00 0.00 58.31 55.85 2kj4 n LYS 19 Cb 0.64 -1.55 -0.03 0.00 -0.00 0.00 0.00 35.03 34.10 2kj4 n LYS 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kj4 s ILE 20 N -1.48 3.62 -0.37 0.58 1.01 -1.26 -4.78 121.20 118.52 2kj4 s ILE 20 Ca 0.37 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.73 2kj4 s ILE 20 Cb 0.21 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 39.08 2kj4 s ILE 20 CO 0.22 -0.36 1.00 -1.54 0.00 0.00 0.00 174.94 174.26 2kj4 n SER 21 N 9.11 2.14 -4.37 3.58 3.41 -1.26 -0.78 113.62 125.45 2kj4 n SER 21 Ca 0.20 -1.84 -0.29 0.00 -0.26 0.00 0.00 58.87 56.68 2kj4 n SER 21 Cb 0.46 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.87 1.57 0.47 4.33 1.02 -1.26 -0.67 119.74 124.33 2kj4 s LYS 22 Ca 0.08 -1.24 -0.06 0.00 0.02 0.00 0.00 55.97 54.76 2kj4 s LYS 22 Cb 0.04 -1.93 0.11 0.00 -0.52 0.00 0.00 37.83 35.53 2kj4 s LYS 22 CO 0.06 0.48 0.64 0.25 -0.92 0.00 0.00 175.35 175.86 2kj4 n THR 23 N 1.30 0.00 0.25 2.17 -2.24 0.35 -4.65 114.28 111.46 2kj4 n THR 23 Ca -0.18 -0.60 0.13 0.00 -2.27 0.00 0.00 64.05 61.14 2kj4 n THR 23 Cb 0.53 -1.57 0.57 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.00 0.80 114.93 113.94 2kj4 h MET 24 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2kj4 h MET 24 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2kj4 h MET 24 CO 0.17 0.12 -0.00 -1.13 -0.00 0.00 0.00 176.91 176.06 2kj4 n SER 25 N -3.28 0.97 -0.74 -0.10 3.41 -1.26 -4.88 113.62 107.73 2kj4 n SER 25 Ca 0.00 -1.31 -0.08 0.00 -0.26 0.00 0.00 58.87 57.22 2kj4 n SER 25 Cb 0.36 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.12 0.69 3.90 5.00 0.00 0.27 -5.01 105.19 111.16 2kj4 n GLY 26 Ca 0.21 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.05 3.42 -0.05 0.99 1.43 -1.26 -4.64 118.68 116.53 2kj4 s LEU 27 Ca 0.00 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 2kj4 s LEU 27 Cb 0.00 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 2kj4 s LEU 27 CO 0.00 -0.76 0.81 -0.70 0.23 0.00 0.00 176.35 175.93 2kj4 s GLU 28 N -4.93 4.46 0.45 1.70 2.56 -1.26 -0.49 118.70 121.18 2kj4 s GLU 28 Ca 0.51 1.08 -0.21 0.00 0.00 0.00 0.00 54.97 56.35 2kj4 s GLU 28 Cb -0.11 -3.46 -0.10 0.00 2.00 0.00 0.00 34.13 32.46 2kj4 s GLU 28 CO 0.48 -0.02 0.99 0.00 -0.56 0.00 0.00 175.26 176.15 2kj4 s GLN 30 N -3.14 4.28 0.28 0.00 0.74 0.14 -4.62 119.66 117.34 2kj4 s GLN 30 Ca 0.63 0.33 -0.30 0.00 0.05 0.00 0.00 55.36 56.08 2kj4 s GLN 30 Cb -0.12 -3.47 -0.12 0.00 1.10 0.00 0.00 33.01 30.39 2kj4 s GLN 30 CO 0.16 0.09 1.47 0.00 -0.55 0.00 0.00 175.29 176.46 2kj4 n ALA 31 N 3.96 1.76 0.06 1.58 0.00 -1.26 -4.36 120.51 122.25 2kj4 n ALA 31 Ca -0.08 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.86 2kj4 n ALA 31 Cb 0.51 -2.35 0.57 0.00 0.00 0.00 0.00 19.45 18.18 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 4.11 0.22 -0.00 0.00 4.06 -1.12 0.35 115.95 123.58 2kj4 h TRP 32 Ca -0.46 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2kj4 h TRP 32 Cb 1.26 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2kj4 h TRP 32 CO 0.56 0.12 -0.08 -3.47 -3.56 0.00 0.00 178.44 172.01 2kj4 n ASP 33 N -4.47 0.17 -4.19 -3.49 2.03 -1.26 -4.64 116.55 100.70 2kj4 n ASP 33 Ca 0.05 -0.06 -0.34 0.00 0.52 0.00 0.00 54.79 54.95 2kj4 n ASP 33 Cb 0.28 -0.24 -0.14 0.00 -0.72 0.00 0.00 41.12 40.29 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 -2.73 4.33 -0.33 1.67 0.15 0.11 -4.97 113.70 111.94 2kj4 s SER 34 Ca 0.22 -0.93 0.07 0.00 0.70 0.00 0.00 55.95 56.01 2kj4 s SER 34 Cb 0.20 -1.65 0.65 0.00 -1.71 0.00 0.00 66.02 63.50 2kj4 s SER 34 CO 0.51 -0.14 1.74 0.00 1.20 0.00 0.00 173.24 176.56 2kj4 n GLN 35 N 4.65 3.06 -4.21 5.44 6.02 -1.26 -4.56 117.38 126.52 2kj4 n GLN 35 Ca -0.16 -2.74 -0.26 0.00 -0.01 0.00 0.00 57.00 53.83 2kj4 n GLN 35 Cb 0.47 -2.11 -0.17 0.00 1.02 0.00 0.00 30.24 29.45 2kj4 n GLN 35 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kj4 s SER 36 N -0.91 1.95 -0.01 1.08 0.15 -1.26 -3.61 113.70 111.09 2kj4 s SER 36 Ca 0.50 -0.30 0.15 0.00 0.70 0.00 0.00 55.95 57.01 2kj4 s SER 36 Cb 0.41 -0.82 -0.19 0.00 -1.71 0.00 0.00 66.02 63.71 2kj4 s SER 36 CO 0.12 -0.05 0.70 -0.81 1.20 0.00 0.00 173.24 174.39 2kj4 n PRO 37 N 4.41 0.63 -2.83 5.44 -0.04 -1.26 -4.93 135.00 136.42 2kj4 n PRO 37 Ca -0.18 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 2kj4 n PRO 37 Cb 0.51 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.75 3.23 0.33 0.54 3.76 -1.25 -5.00 115.29 114.14 2kj4 s HIS 38 Ca -0.04 1.04 -0.29 0.00 -0.15 0.00 0.00 55.06 55.62 2kj4 s HIS 38 Cb 0.08 -3.29 -0.11 0.00 1.11 0.00 0.00 32.58 30.37 2kj4 s HIS 38 CO 0.82 -0.57 1.41 0.00 -0.85 0.00 0.00 174.74 175.56 2kj4 s ALA 39 N 3.12 3.56 -0.18 -1.40 0.00 -1.24 -4.60 121.76 121.03 2kj4 s ALA 39 Ca 0.37 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 2kj4 s ALA 39 Cb -0.14 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.55 2kj4 s ALA 39 CO 0.11 -0.83 0.95 -3.38 0.00 0.00 0.00 175.76 172.62 2kj4 s HIS 40 N -0.86 -0.45 -0.47 0.00 -3.43 -1.26 -5.04 115.29 103.78 2kj4 s HIS 40 Ca 0.53 0.88 -0.02 0.00 -0.80 0.00 0.00 55.06 55.65 2kj4 s HIS 40 Cb -0.43 0.42 0.21 0.00 -1.43 0.00 0.00 32.58 31.35 2kj4 s HIS 40 CO 0.55 -0.35 2.29 0.41 -2.00 0.00 0.00 174.74 175.64 2kj4 n GLY 41 N 1.21 4.61 3.19 -1.38 0.00 -1.26 -4.71 105.19 106.85 2kj4 n GLY 41 Ca -0.12 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2kj4 n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kj4 s TYR 42 N -2.32 3.82 -0.16 1.61 1.51 -1.26 -5.00 117.35 115.55 2kj4 s TYR 42 Ca 0.48 -2.68 -0.28 0.00 -1.01 0.00 0.00 57.07 53.58 2kj4 s TYR 42 Cb 0.36 -3.46 -0.01 0.00 -0.11 0.00 0.00 41.96 38.74 2kj4 s TYR 42 CO -0.12 -0.85 0.96 0.42 -1.11 0.00 0.00 175.55 174.85 2kj4 s ILE 43 N -0.72 4.78 -0.68 2.71 -1.09 -1.26 -4.57 121.20 120.37 2kj4 s ILE 43 Ca 0.24 1.92 0.21 0.00 -2.23 0.00 0.00 60.65 60.78 2kj4 s ILE 43 Cb -0.12 -4.26 0.21 0.00 -1.58 0.00 0.00 42.46 36.71 2kj4 s ILE 43 CO -0.09 -0.04 1.64 -2.65 -1.23 0.00 0.00 174.94 172.58 2kj4 n PRO 44 N 5.43 0.13 0.07 2.79 -0.02 -1.26 -2.54 135.00 139.59 2kj4 n PRO 44 Ca 0.08 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.87 2kj4 n PRO 44 Cb 0.48 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 2kj4 n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kj4 h SER 45 N 0.00 0.00 0.93 2.55 4.64 -1.92 -3.30 113.55 116.46 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 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2kj4 h SER 45 CO 0.00 0.76 -0.51 2.29 -0.87 0.00 0.00 176.83 178.50 2kj4 n LYS 46 N -3.17 0.26 -3.71 4.77 2.85 -1.05 -4.23 118.16 113.89 2kj4 n LYS 46 Ca -0.04 0.10 -0.28 0.00 -1.05 0.00 0.00 58.31 57.04 2kj4 n LYS 46 Cb 0.87 -1.69 -0.11 0.00 -0.65 0.00 0.00 35.03 33.46 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 -2.08 2.79 0.03 5.58 3.72 -1.23 -4.95 117.46 121.32 2kj4 n PHE 47 Ca 0.04 -4.15 -0.19 0.00 -0.05 0.00 0.00 57.45 53.10 2kj4 n PHE 47 Cb 0.43 -0.51 -0.13 0.00 -0.94 0.00 0.00 39.48 38.33 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 5.06 0.37 0.00 -1.08 0.13 -1.74 -3.32 132.00 131.42 2kj4 h PRO 48 Ca 0.17 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kj4 h PRO 48 Cb 0.75 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2kj4 h PRO 48 CO 0.70 1.17 0.00 0.27 -0.23 0.00 0.00 178.00 179.91 2kj4 n ASN 49 N -4.17 0.00 -0.17 1.44 6.94 -1.26 -1.01 115.26 117.03 2kj4 n ASN 49 Ca -0.12 -0.17 0.10 0.00 -0.02 0.00 0.00 54.58 54.37 2kj4 n ASN 49 Cb 0.75 -0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 37.93 2kj4 n ASN 49 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2kj4 n LYS 50 N -1.16 0.60 -3.53 -3.83 4.76 -1.25 -4.99 118.16 108.77 2kj4 n LYS 50 Ca 0.09 -0.35 -0.24 0.00 -2.87 0.00 0.00 58.31 54.94 2kj4 n LYS 50 Cb 0.09 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.86 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 -0.97 -5.87 -4.58 4.39 5.15 -0.18 -4.84 115.26 108.36 2kj4 n ASN 51 Ca 0.06 -0.85 -0.39 0.00 -0.60 0.00 0.00 54.58 52.79 2kj4 n ASN 51 Cb 0.37 -3.90 -0.02 0.00 -0.53 0.00 0.00 39.78 35.70 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 -5.90 3.62 0.16 1.20 2.96 -1.25 -4.92 118.68 114.55 2kj4 s LEU 52 Ca 0.40 -2.16 0.10 0.00 -0.22 0.00 0.00 54.13 52.25 2kj4 s LEU 52 Cb -0.12 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2kj4 s LEU 52 CO 0.82 -1.65 -0.22 -0.54 -1.32 0.00 0.00 176.35 173.45 2kj4 s LYS 53 N 4.84 1.33 0.77 1.98 -0.14 -1.26 -4.74 119.74 122.52 2kj4 s LYS 53 Ca 0.57 -1.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 2kj4 s LYS 53 Cb 0.02 -1.57 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 2kj4 s LYS 53 CO 0.07 0.34 0.00 1.63 -0.76 0.00 0.00 175.35 176.64 2kj4 n LYS 54 N 0.54 0.00 -1.22 1.68 5.02 -1.26 -3.06 118.16 119.86 2kj4 n LYS 54 Ca -0.15 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 2kj4 n LYS 54 Cb 0.55 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.70 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 -2.16 4.05 -4.75 4.39 6.94 -1.26 -0.52 115.26 121.95 2kj4 n ASN 55 Ca 0.00 -3.77 -0.39 0.00 -0.02 0.00 0.00 54.58 50.40 2kj4 n ASN 55 Cb 0.00 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 36.72 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 -3.44 3.63 0.12 -2.53 2.02 -1.17 -4.25 117.35 111.71 2kj4 s TYR 56 Ca 0.51 1.13 -0.32 0.00 -0.37 0.00 0.00 57.07 58.03 2kj4 s TYR 56 Cb 0.43 -2.63 -0.11 0.00 -0.40 0.00 0.00 41.96 39.26 2kj4 s TYR 56 CO 0.01 0.27 1.82 0.00 -1.57 0.00 0.00 175.55 176.08 2kj4 s ARG 58 N 2.66 1.56 -0.51 0.00 1.81 -0.67 -4.82 118.95 118.97 2kj4 s ARG 58 Ca 0.82 -1.87 0.05 0.00 -1.72 0.00 0.00 55.73 53.01 2kj4 s ARG 58 Cb -0.51 -0.55 0.17 0.00 -0.45 0.00 0.00 34.95 33.62 2kj4 s ARG 58 CO 0.38 -0.27 0.41 -1.71 -0.68 0.00 0.00 175.30 173.43 2kj4 n ASN 59 N -0.64 0.79 0.03 0.23 5.15 -1.15 -1.54 115.26 118.13 2kj4 n ASN 59 Ca -0.01 -2.69 -0.18 0.00 -0.60 0.00 0.00 54.58 51.10 2kj4 n ASN 59 Cb 0.66 -0.63 -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 5.46 0.23 0.00 1.20 0.13 -1.92 -3.29 132.00 133.81 2kj4 h PRO 60 Ca 0.22 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2kj4 h PRO 60 Cb 0.85 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kj4 h PRO 60 CO 0.50 1.07 -0.12 0.38 -0.23 0.00 0.00 178.00 179.60 2kj4 h ASP 61 N 0.06 0.00 -4.03 1.44 2.03 -2.01 -3.48 116.42 110.44 2kj4 h ASP 61 Ca -0.32 -0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 55.85 2kj4 h ASP 61 Cb 2.03 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 40.61 2kj4 h ASP 61 CO 0.13 0.01 -0.34 0.54 -1.03 0.00 0.00 179.24 178.55 2kj4 n ARG 62 N -2.51 -0.93 -0.13 4.15 1.74 -1.26 -5.08 116.66 112.64 2kj4 n ARG 62 Ca 0.05 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2kj4 n ARG 62 Cb 0.47 -3.32 0.00 0.00 -1.02 0.00 0.00 32.46 28.58 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 -2.18 0.00 0.10 0.55 2.03 -1.26 -5.01 116.55 110.77 2kj4 n ASP 63 Ca -0.03 -0.30 0.12 0.00 0.52 0.00 0.00 54.79 55.10 2kj4 n ASP 63 Cb 0.55 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.01 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 -7.30 -2.67 3.38 -1.98 -3.46 115.31 103.28 2kj4 h LEU 64 Ca 0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2kj4 h LEU 64 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 2kj4 h LEU 64 CO 0.00 0.04 -0.20 -0.60 0.09 0.00 0.00 178.44 177.77 2kj4 s ARG 65 N -3.29 0.54 0.55 1.13 3.52 -1.26 -5.06 118.95 115.09 2kj4 s ARG 65 Ca 0.02 0.52 -0.19 0.00 -0.13 0.00 0.00 55.73 55.96 2kj4 s ARG 65 Cb 0.11 0.26 -0.08 0.00 -1.56 0.00 0.00 34.95 33.67 2kj4 s ARG 65 CO 0.76 -0.08 0.69 -2.30 -0.81 0.00 0.00 175.30 173.57 2kj4 n PRO 66 N 2.65 0.70 -3.45 5.12 -0.02 -1.26 -4.84 135.00 133.90 2kj4 n PRO 66 Ca -0.14 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 2kj4 n PRO 66 Cb 0.57 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.54 -1.31 -3.48 6.00 4.27 -0.59 -0.77 117.44 120.03 2kj4 n TRP 67 Ca 0.12 -1.83 -0.13 0.00 -3.89 0.00 0.00 57.50 51.78 2kj4 n TRP 67 Cb 0.46 0.46 -0.03 0.00 -1.36 0.00 0.00 31.31 30.84 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 -2.75 3.44 -0.05 0.00 0.08 -1.26 -1.55 117.98 115.89 2kj4 s PHE 69 Ca -0.01 1.68 -0.13 0.00 0.12 0.00 0.00 56.93 58.59 2kj4 s PHE 69 Cb -0.01 -2.94 -0.05 0.00 -0.57 0.00 0.00 43.02 39.45 2kj4 s PHE 69 CO -0.05 -0.12 0.34 0.95 -0.10 0.00 0.00 175.22 176.24 2kj4 s THR 70 N -1.85 5.17 -2.23 0.64 -4.23 -0.90 0.27 115.64 112.51 2kj4 s THR 70 Ca 0.57 0.68 0.20 0.00 -1.18 0.00 0.00 61.69 61.96 2kj4 s THR 70 Cb -0.16 -3.64 0.45 0.00 1.34 0.00 0.00 72.50 70.50 2kj4 s THR 70 CO 0.20 0.56 1.55 1.07 -0.54 0.00 0.00 174.62 177.45 2kj4 n THR 71 N 2.13 0.20 -2.77 3.99 5.66 -0.83 -4.59 114.28 118.07 2kj4 n THR 71 Ca -0.15 -0.31 -0.42 0.00 -3.05 0.00 0.00 64.05 60.12 2kj4 n THR 71 Cb 0.53 0.28 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 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 -1.53 7.17 0.50 1.09 -1.08 -1.26 -4.87 116.67 116.68 2kj4 s ASP 72 Ca 0.31 1.44 0.30 0.00 -0.52 0.00 0.00 52.55 54.07 2kj4 s ASP 72 Cb 0.16 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 40.49 2kj4 s ASP 72 CO 0.25 -0.38 1.82 -0.65 0.52 0.00 0.00 175.17 176.72 2kj4 h PRO 73 N 7.08 0.12 0.21 4.34 0.11 -2.01 -1.35 132.00 140.50 2kj4 h PRO 73 Ca -0.33 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.45 2kj4 h PRO 73 Cb 1.16 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.26 2kj4 h PRO 73 CO 0.83 0.08 -1.45 -0.97 -0.21 0.00 0.00 178.00 176.28 2kj4 h ASN 74 N 0.13 0.70 -3.27 -2.05 -1.24 -1.96 -3.45 115.58 104.43 2kj4 h ASN 74 Ca 0.53 -0.78 -0.59 0.00 0.71 0.00 0.00 56.30 56.17 2kj4 h ASN 74 Cb 1.87 -0.23 -0.10 0.00 0.73 0.00 0.00 38.32 40.59 2kj4 h ASN 74 CO -0.10 1.62 -0.37 -0.75 -1.29 0.00 0.00 177.43 176.54 2kj4 s LYS 75 N -2.61 4.22 -0.14 6.67 2.47 -0.51 -4.97 119.74 124.87 2kj4 s LYS 75 Ca -0.08 0.01 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 2kj4 s LYS 75 Cb 0.05 -3.42 -0.26 0.00 -1.46 0.00 0.00 37.83 32.74 2kj4 s LYS 75 CO 0.92 0.27 0.75 -0.09 0.16 0.00 0.00 175.35 177.35 2kj4 h ARG 76 N 6.63 0.01 -3.78 4.03 2.43 -1.86 -3.39 114.38 118.45 2kj4 h ARG 76 Ca -0.41 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 2kj4 h ARG 76 Cb 1.16 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.60 2kj4 h ARG 76 CO 0.75 1.01 -0.24 1.67 -1.51 0.00 0.00 179.97 181.65 2kj4 s TRP 77 N -2.23 0.35 0.08 2.20 1.48 -1.26 -2.13 118.94 117.43 2kj4 s TRP 77 Ca -0.19 -0.70 -0.07 0.00 -1.06 0.00 0.00 56.10 54.07 2kj4 s TRP 77 Cb -0.02 0.04 -0.01 0.00 -1.16 0.00 0.00 33.47 32.32 2kj4 s TRP 77 CO 0.69 -0.81 0.15 -1.21 -4.06 0.00 0.00 176.95 171.72 2kj4 s GLU 78 N -3.97 0.80 0.56 3.25 0.41 -0.59 -4.81 118.70 114.35 2kj4 s GLU 78 Ca 0.18 -1.00 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2kj4 s GLU 78 Cb 0.02 0.32 -0.05 0.00 -1.78 0.00 0.00 34.13 32.64 2kj4 s GLU 78 CO 0.02 -0.24 0.96 0.71 -0.49 0.00 0.00 175.26 176.23 2kj4 s TYR 79 N -3.86 3.57 0.11 1.61 2.02 -1.26 -1.19 117.35 118.35 2kj4 s TYR 79 Ca 0.05 1.24 0.07 0.00 -0.37 0.00 0.00 57.07 58.06 2kj4 s TYR 79 Cb 0.05 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 2kj4 s TYR 79 CO -0.11 -0.52 -0.10 0.00 -1.57 0.00 0.00 175.55 173.26 2kj4 s ASP 81 N -2.27 5.28 -0.08 0.00 2.15 -1.26 -4.68 116.67 115.80 2kj4 s ASP 81 Ca 0.22 -2.49 -0.12 0.00 0.43 0.00 0.00 52.55 50.59 2kj4 s ASP 81 Cb -0.11 -1.85 -0.05 0.00 -0.30 0.00 0.00 42.92 40.61 2kj4 s ASP 81 CO 0.14 -0.45 0.29 -0.63 -0.17 0.00 0.00 175.17 174.35 2kj4 s ILE 82 N 0.48 5.26 -0.17 4.11 -1.09 -1.26 -4.90 121.20 123.62 2kj4 s ILE 82 Ca 0.13 0.56 -0.40 0.00 -2.23 0.00 0.00 60.65 58.72 2kj4 s ILE 82 Cb -0.21 -3.60 -0.17 0.00 -1.58 0.00 0.00 42.46 36.90 2kj4 s ILE 82 CO -0.04 0.53 1.57 -2.65 -1.23 0.00 0.00 174.94 173.12 2kj4 n PRO 83 N 2.41 0.97 -5.07 2.79 -0.02 -1.26 -4.89 135.00 129.92 2kj4 n PRO 83 Ca -0.15 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 2kj4 n PRO 83 Cb 0.53 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.85 2kj4 n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kj4 s ARG 84 N 2.34 2.60 -0.19 -0.52 0.52 -1.26 0.16 118.95 122.60 2kj4 s ARG 84 Ca 0.94 -0.77 -0.23 0.00 -0.52 0.00 0.00 55.73 55.15 2kj4 s ARG 84 Cb -1.09 -2.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 2kj4 s ARG 84 CO 0.61 0.19 0.73 0.00 0.02 0.00 0.00 175.30 176.85 2kj4 n ALA 86 N 5.22 1.62 0.20 0.00 0.00 -1.26 -4.97 120.51 121.32 2kj4 n ALA 86 Ca 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 53.44 52.65 2kj4 n ALA 86 Cb 0.49 -0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.95 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50