#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 -3.58 2.97 3.14 -1.26 -5.13 118.33 114.47 2kj4 n VAL 2 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 2kj4 n VAL 2 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 2kj4 n VAL 2 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kj4 s GLU 3 N -1.00 2.81 -0.55 1.45 0.41 -1.26 -5.06 118.70 115.49 2kj4 s GLU 3 Ca 0.00 -1.26 -0.20 0.00 -0.41 0.00 0.00 54.97 53.10 2kj4 s GLU 3 Cb 0.00 -2.58 0.07 0.00 -1.78 0.00 0.00 34.13 29.84 2kj4 s GLU 3 CO 0.00 -0.01 0.72 0.12 -0.49 0.00 0.00 175.26 175.60 2kj4 s PHE 4 N -2.31 2.97 -0.63 1.61 5.36 -1.26 -4.87 117.98 118.85 2kj4 s PHE 4 Ca 0.45 -0.62 0.20 0.00 -0.96 0.00 0.00 56.93 56.00 2kj4 s PHE 4 Cb -0.07 -3.82 -0.24 0.00 -0.34 0.00 0.00 43.02 38.55 2kj4 s PHE 4 CO 0.29 -1.21 0.70 0.43 -1.46 0.00 0.00 175.22 173.96 2kj4 n SER 5 N 6.52 0.75 -4.46 6.13 7.64 -1.26 -4.77 113.62 124.17 2kj4 n SER 5 Ca -0.06 -0.65 -0.44 0.00 1.01 0.00 0.00 58.87 58.73 2kj4 n SER 5 Cb 0.45 1.30 -0.00 0.00 -1.01 0.00 0.00 64.21 64.94 2kj4 n SER 5 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2kj4 s GLU 6 N -3.02 4.09 -0.48 1.43 2.12 -1.26 -4.71 118.70 116.88 2kj4 s GLU 6 Ca 0.03 -2.59 0.06 0.00 0.36 0.00 0.00 54.97 52.83 2kj4 s GLU 6 Cb 0.14 -5.06 0.21 0.00 0.26 0.00 0.00 34.13 29.68 2kj4 s GLU 6 CO 0.81 -1.77 0.48 0.39 -0.54 0.00 0.00 175.26 174.64 2kj4 n GLU 7 N 5.64 0.92 -4.22 4.30 1.02 -1.26 -5.11 120.64 121.93 2kj4 n GLU 7 Ca 0.37 -3.58 -0.33 0.00 -0.02 0.00 0.00 57.16 53.60 2kj4 n GLU 7 Cb 0.43 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.56 2.40 -0.68 0.00 -1.94 0.86 -4.73 119.30 113.65 2kj4 s MET 9 Ca 0.20 -1.27 -0.27 0.00 -1.71 0.00 0.00 55.69 52.64 2kj4 s MET 9 Cb -0.12 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.46 2kj4 s MET 9 CO 0.11 0.40 1.58 -1.58 -0.01 0.00 0.00 175.02 175.51 2kj4 s HIS 10 N -2.10 1.97 0.00 -0.03 2.46 -1.26 -0.38 115.29 115.95 2kj4 s HIS 10 Ca 0.30 0.37 0.00 0.00 0.47 0.00 0.00 55.06 56.20 2kj4 s HIS 10 Cb -0.08 -4.36 0.00 0.00 -0.13 0.00 0.00 32.58 28.02 2kj4 s HIS 10 CO 0.20 -2.19 0.00 0.41 -2.47 0.00 0.00 174.74 170.69 2kj4 n GLY 11 N 5.57 1.53 0.08 1.59 0.00 0.45 -1.63 105.19 112.78 2kj4 n GLY 11 Ca 0.12 0.43 0.14 0.00 0.00 0.00 0.00 46.02 46.72 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 10.32 0.38 -0.99 1.61 7.64 -1.26 -4.83 113.62 126.49 2kj4 n SER 12 Ca 0.00 -0.41 -0.10 0.00 1.01 0.00 0.00 58.87 59.37 2kj4 n SER 12 Cb 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.32 0.60 0.20 0.23 0.00 -0.65 -3.02 105.19 103.87 2kj4 n GLY 13 Ca 0.13 -0.50 -0.02 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 0.00 0.26 -0.80 1.61 4.81 -1.81 -2.77 114.58 115.89 2kj4 h GLU 14 Ca -0.23 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2kj4 h GLU 14 Cb 0.92 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2kj4 h GLU 14 CO 0.31 0.63 0.00 0.09 -0.73 0.00 0.00 179.01 179.30 2kj4 n ASN 15 N -4.03 2.34 -4.57 1.04 5.03 -1.26 -4.70 115.26 109.11 2kj4 n ASN 15 Ca -0.01 -2.26 -0.43 0.00 0.87 0.00 0.00 54.58 52.75 2kj4 n ASN 15 Cb 0.48 -0.51 -0.04 0.00 -1.02 0.00 0.00 39.78 38.68 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2kj4 s TYR 16 N -1.57 2.90 -1.13 3.10 5.04 -1.04 -4.81 117.35 119.85 2kj4 s TYR 16 Ca 0.17 0.41 0.10 0.00 -2.44 0.00 0.00 57.07 55.31 2kj4 s TYR 16 Cb 0.12 -4.03 0.18 0.00 0.35 0.00 0.00 41.96 38.58 2kj4 s TYR 16 CO 0.06 -1.13 1.03 -3.47 -1.34 0.00 0.00 175.55 170.69 2kj4 n ASP 17 N 7.26 2.36 -4.49 4.32 2.03 -1.26 -4.84 116.55 121.93 2kj4 n ASP 17 Ca 0.07 -1.70 -0.29 0.00 0.52 0.00 0.00 54.79 53.39 2kj4 n ASP 17 Cb 0.49 -0.10 0.21 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.94 1.55 -0.73 0.27 0.00 -1.26 -4.99 107.32 101.22 2kj4 s GLY 18 Ca 0.17 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.49 2kj4 s GLY 18 CO 0.14 0.25 0.89 0.28 0.00 0.00 0.00 173.10 174.66 2kj4 n LYS 19 N -4.46 2.91 -4.04 2.90 5.02 -1.26 -4.81 118.16 114.41 2kj4 n LYS 19 Ca 0.06 -4.65 -0.32 0.00 -2.02 0.00 0.00 58.31 51.38 2kj4 n LYS 19 Cb 0.57 -2.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.21 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 -2.52 4.77 0.00 -0.18 2.07 -1.26 -5.01 121.20 119.06 2kj4 s ILE 20 Ca 0.38 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 2kj4 s ILE 20 Cb 0.12 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.46 2kj4 s ILE 20 CO 0.01 0.22 0.59 -1.54 -1.91 0.00 0.00 174.94 172.30 2kj4 n SER 21 N 0.72 0.47 -4.34 4.50 3.41 -1.26 -0.97 113.62 116.14 2kj4 n SER 21 Ca -0.10 -1.23 -0.28 0.00 -0.26 0.00 0.00 58.87 57.01 2kj4 n SER 21 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.23 1.42 0.00 4.33 1.02 -1.26 -0.59 119.74 124.44 2kj4 s LYS 22 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.77 2kj4 s LYS 22 Cb 0.00 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 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 1.22 0.00 0.21 2.17 -2.24 0.76 -4.64 114.28 111.76 2kj4 n THR 23 Ca -0.18 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2kj4 n THR 23 Cb 0.53 -1.64 0.48 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.05 -0.55 114.93 112.55 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 0.28 -0.22 0.43 -0.00 0.00 0.00 176.91 177.40 2kj4 n SER 25 N -3.72 0.31 0.00 -0.10 7.64 -1.26 -4.90 113.62 111.59 2kj4 n SER 25 Ca -0.01 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2kj4 n SER 25 Cb 0.38 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 1.47 0.55 3.84 0.23 0.00 -0.21 -5.03 105.19 106.04 2kj4 n GLY 26 Ca 0.06 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 3.23 0.07 0.99 1.43 -1.26 -4.50 118.68 118.64 2kj4 s LEU 27 Ca 0.00 1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 54.45 2kj4 s LEU 27 Cb 0.00 -4.49 -0.07 0.00 0.03 0.00 0.00 46.19 41.67 2kj4 s LEU 27 CO 0.00 -1.16 0.63 -0.70 0.23 0.00 0.00 176.35 175.35 2kj4 s GLU 28 N -4.96 4.33 0.54 1.70 2.56 -1.26 -0.17 118.70 121.43 2kj4 s GLU 28 Ca 0.57 0.85 -0.17 0.00 0.00 0.00 0.00 54.97 56.22 2kj4 s GLU 28 Cb -0.13 -3.28 -0.06 0.00 2.00 0.00 0.00 34.13 32.66 2kj4 s GLU 28 CO 0.52 0.53 1.02 0.00 -0.56 0.00 0.00 175.26 176.77 2kj4 s GLN 30 N -3.94 4.33 0.22 0.00 0.74 0.17 -4.56 119.66 116.62 2kj4 s GLN 30 Ca 0.62 0.54 -0.32 0.00 0.05 0.00 0.00 55.36 56.25 2kj4 s GLN 30 Cb -0.13 -3.46 -0.13 0.00 1.10 0.00 0.00 33.01 30.39 2kj4 s GLN 30 CO 0.32 0.07 1.58 0.00 -0.55 0.00 0.00 175.29 176.70 2kj4 n ALA 31 N 3.94 1.91 -0.19 1.58 0.00 -1.26 -4.47 120.51 122.01 2kj4 n ALA 31 Ca -0.05 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.93 2kj4 n ALA 31 Cb 0.51 -2.40 0.44 0.00 0.00 0.00 0.00 19.45 18.01 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 5.46 0.62 0.00 0.00 4.06 -1.50 0.27 115.95 124.87 2kj4 h TRP 32 Ca -0.45 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.46 2kj4 h TRP 32 Cb 1.24 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 2kj4 h TRP 32 CO 0.60 0.25 -0.30 0.22 -3.56 0.00 0.00 178.44 175.66 2kj4 h ASP 33 N 0.55 0.00 -3.27 -3.49 3.58 -1.81 -3.40 116.42 108.58 2kj4 h ASP 33 Ca 0.38 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.25 2kj4 h ASP 33 Cb 0.71 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.69 2kj4 h ASP 33 CO -0.14 0.30 -0.09 -0.55 -2.88 0.00 0.00 179.24 175.87 2kj4 s SER 34 N -6.50 6.83 -0.10 2.28 0.15 0.08 -4.93 113.70 111.52 2kj4 s SER 34 Ca -0.02 0.99 0.19 0.00 0.70 0.00 0.00 55.95 57.82 2kj4 s SER 34 Cb 0.13 -2.32 0.73 0.00 -1.71 0.00 0.00 66.02 62.85 2kj4 s SER 34 CO 0.67 0.09 1.63 0.00 1.20 0.00 0.00 173.24 176.83 2kj4 n GLN 35 N 2.99 3.63 -4.44 5.44 1.13 -1.26 -4.76 117.38 120.11 2kj4 n GLN 35 Ca -0.08 -2.89 -0.33 0.00 -1.94 0.00 0.00 57.00 51.77 2kj4 n GLN 35 Cb 0.51 -1.86 -0.16 0.00 0.11 0.00 0.00 30.24 28.84 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 -0.91 3.19 0.11 1.08 0.01 -1.26 -3.20 113.70 112.72 2kj4 s SER 36 Ca 0.52 -0.61 0.20 0.00 1.31 0.00 0.00 55.95 57.37 2kj4 s SER 36 Cb 0.32 -1.47 -0.09 0.00 0.21 0.00 0.00 66.02 64.99 2kj4 s SER 36 CO 0.27 0.05 0.88 -0.81 0.41 0.00 0.00 173.24 174.04 2kj4 n PRO 37 N 4.29 0.62 -2.97 12.44 -0.04 -1.26 -4.86 135.00 143.22 2kj4 n PRO 37 Ca -0.20 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2kj4 n PRO 37 Cb 0.51 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.15 3.29 0.01 0.54 3.76 -1.21 -5.02 115.29 113.51 2kj4 s HIS 38 Ca -0.02 1.00 -0.30 0.00 -0.15 0.00 0.00 55.06 55.58 2kj4 s HIS 38 Cb 0.09 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 2kj4 s HIS 38 CO 0.81 -0.40 1.08 0.00 -0.85 0.00 0.00 174.74 175.38 2kj4 s ALA 39 N 2.75 3.29 0.06 -1.40 0.00 -1.19 -4.44 121.76 120.83 2kj4 s ALA 39 Ca 0.32 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 2kj4 s ALA 39 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2kj4 s ALA 39 CO 0.08 -0.39 0.21 -3.38 0.00 0.00 0.00 175.76 172.28 2kj4 s HIS 40 N 1.23 0.07 -2.08 0.00 -3.43 -1.26 -5.02 115.29 104.81 2kj4 s HIS 40 Ca 0.54 -0.38 0.14 0.00 -0.80 0.00 0.00 55.06 54.56 2kj4 s HIS 40 Cb -0.24 -0.02 0.45 0.00 -1.43 0.00 0.00 32.58 31.34 2kj4 s HIS 40 CO 0.27 -0.49 1.35 0.41 -2.00 0.00 0.00 174.74 174.27 2kj4 n GLY 41 N 0.34 0.43 3.27 -1.38 0.00 -1.26 -4.53 105.19 102.07 2kj4 n GLY 41 Ca -0.17 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 0.39 4.34 -3.88 1.61 4.02 -1.26 -4.94 117.16 117.44 2kj4 n TYR 42 Ca 0.13 -3.23 -0.36 0.00 -0.01 0.00 0.00 57.90 54.43 2kj4 n TYR 42 Cb 0.29 -2.04 -0.11 0.00 -0.02 0.00 0.00 39.34 37.46 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 0.77 4.72 0.64 -0.72 1.01 -1.26 -4.58 121.20 121.78 2kj4 s ILE 43 Ca 0.40 -0.05 0.36 0.00 0.00 0.00 0.00 60.65 61.36 2kj4 s ILE 43 Cb 0.00 -3.16 0.38 0.00 0.01 0.00 0.00 42.46 39.69 2kj4 s ILE 43 CO 0.00 0.40 2.19 -0.65 0.00 0.00 0.00 174.94 176.88 2kj4 h PRO 44 N 7.36 0.00 0.00 2.79 0.11 -1.80 -0.91 132.00 139.55 2kj4 h PRO 44 Ca -0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 2kj4 h PRO 44 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kj4 h PRO 44 CO 0.65 0.00 -0.48 0.77 -0.21 0.00 0.00 178.00 178.73 2kj4 h SER 45 N 0.00 0.00 0.00 -2.05 0.02 -1.94 -3.15 113.55 106.43 2kj4 h SER 45 Ca 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2kj4 h SER 45 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2kj4 h SER 45 CO -0.00 0.48 -2.02 2.29 -1.14 0.00 0.00 176.83 176.44 2kj4 n LYS 46 N -3.63 0.71 -3.79 3.45 2.85 -0.40 -4.69 118.16 112.65 2kj4 n LYS 46 Ca -0.01 -0.13 -0.29 0.00 -1.05 0.00 0.00 58.31 56.84 2kj4 n LYS 46 Cb 0.56 -1.48 -0.12 0.00 -0.65 0.00 0.00 35.03 33.34 2kj4 n LYS 46 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kj4 s PHE 47 N -3.13 2.79 0.07 5.58 0.08 -0.85 -4.91 117.98 117.61 2kj4 s PHE 47 Ca -0.08 -2.97 0.09 0.00 0.12 0.00 0.00 56.93 54.09 2kj4 s PHE 47 Cb 0.11 -2.29 -0.13 0.00 -0.57 0.00 0.00 43.02 40.15 2kj4 s PHE 47 CO 0.82 -0.67 1.33 -1.00 -0.10 0.00 0.00 175.22 175.59 2kj4 h PRO 48 N 5.92 0.00 0.00 0.24 0.13 -1.83 -3.37 132.00 133.08 2kj4 h PRO 48 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2kj4 h PRO 48 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2kj4 h PRO 48 CO 0.61 0.88 -0.05 -0.97 -0.23 0.00 0.00 178.00 178.24 2kj4 h ASN 49 N 0.00 0.00 -0.68 1.44 -1.24 -1.91 -1.69 115.58 111.50 2kj4 h ASN 49 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kj4 h ASN 49 Cb 1.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.71 2kj4 h ASN 49 CO 0.11 0.05 0.00 0.29 -1.29 0.00 0.00 177.43 176.60 2kj4 n LYS 50 N -4.33 3.47 -3.89 6.67 4.76 -1.26 -4.95 118.16 118.63 2kj4 n LYS 50 Ca -0.03 -2.84 -0.36 0.00 -2.87 0.00 0.00 58.31 52.22 2kj4 n LYS 50 Cb 0.14 -1.81 0.02 0.00 -1.84 0.00 0.00 35.03 31.54 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 1.29 -3.85 -4.55 4.39 5.15 -0.64 -4.85 115.26 112.19 2kj4 n ASN 51 Ca 0.26 -1.12 -0.40 0.00 -0.60 0.00 0.00 54.58 52.71 2kj4 n ASN 51 Cb 0.82 -2.68 -0.03 0.00 -0.53 0.00 0.00 39.78 37.36 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 -6.92 3.31 0.11 1.20 2.96 -1.26 -4.95 118.68 113.13 2kj4 s LEU 52 Ca 0.39 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2kj4 s LEU 52 Cb -0.17 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2kj4 s LEU 52 CO 0.91 -1.81 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.49 2kj4 s LYS 53 N 5.63 0.89 1.66 1.98 -0.14 -1.26 -4.54 119.74 123.95 2kj4 s LYS 53 Ca 0.45 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2kj4 s LYS 53 Cb -0.05 -0.52 0.00 0.00 -1.68 0.00 0.00 37.83 35.58 2kj4 s LYS 53 CO 0.04 0.07 0.00 1.63 -0.76 0.00 0.00 175.35 176.33 2kj4 n LYS 54 N 0.33 0.00 -1.72 1.68 4.76 -1.26 -2.44 118.16 119.51 2kj4 n LYS 54 Ca -0.14 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.05 2kj4 n LYS 54 Cb 0.59 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.83 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 -1.88 5.32 -4.75 4.39 6.94 -1.26 -1.30 115.26 122.72 2kj4 n ASN 55 Ca 0.00 -3.77 -0.40 0.00 -0.02 0.00 0.00 54.58 50.39 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 -3.62 3.80 0.19 -2.53 2.02 -1.02 -4.39 117.35 111.80 2kj4 s TYR 56 Ca 0.54 1.57 -0.31 0.00 -0.37 0.00 0.00 57.07 58.50 2kj4 s TYR 56 Cb 0.43 -2.84 -0.10 0.00 -0.40 0.00 0.00 41.96 39.05 2kj4 s TYR 56 CO 0.02 0.34 1.50 0.00 -1.57 0.00 0.00 175.55 175.84 2kj4 s ARG 58 N 0.56 1.34 -0.40 0.00 1.81 -0.72 -4.82 118.95 116.71 2kj4 s ARG 58 Ca 0.65 -1.72 0.03 0.00 -1.72 0.00 0.00 55.73 52.97 2kj4 s ARG 58 Cb -0.42 -0.10 0.16 0.00 -0.45 0.00 0.00 34.95 34.13 2kj4 s ARG 58 CO 0.36 -0.32 0.30 1.21 -0.68 0.00 0.00 175.30 176.17 2kj4 s ASN 59 N -3.26 2.14 -0.00 0.23 3.84 -1.24 -1.26 114.94 115.39 2kj4 s ASN 59 Ca 0.38 -2.78 0.02 0.00 0.21 0.00 0.00 52.86 50.69 2kj4 s ASN 59 Cb 0.08 -0.49 -0.25 0.00 -0.55 0.00 0.00 41.25 40.03 2kj4 s ASN 59 CO 0.13 -0.22 0.83 1.55 -2.79 0.00 0.00 177.10 176.60 2kj4 h PRO 60 N 6.13 0.15 -0.02 0.43 0.13 -1.89 -3.37 132.00 133.56 2kj4 h PRO 60 Ca 0.18 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2kj4 h PRO 60 Cb 0.92 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kj4 h PRO 60 CO 0.35 0.94 -0.37 -0.40 -0.23 0.00 0.00 178.00 178.30 2kj4 n ASP 61 N -3.33 1.99 -2.56 1.44 5.68 -1.26 -4.98 116.55 113.52 2kj4 n ASP 61 Ca -0.15 -1.48 -0.08 0.00 -0.50 0.00 0.00 54.79 52.57 2kj4 n ASP 61 Cb 1.03 0.35 0.04 0.00 -1.14 0.00 0.00 41.12 41.40 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 0.07 -1.33 -0.03 0.11 1.74 -1.26 -5.06 116.66 110.90 2kj4 n ARG 62 Ca 0.11 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 2kj4 n ARG 62 Cb 0.46 -4.16 0.00 0.00 -1.02 0.00 0.00 32.46 27.75 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 -2.46 0.00 -0.09 0.55 -0.08 -1.26 -4.95 116.55 108.25 2kj4 n ASP 63 Ca -0.04 -0.70 0.03 0.00 -1.51 0.00 0.00 54.79 52.57 2kj4 n ASP 63 Cb 0.57 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.39 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 0.62 -7.72 -2.67 3.38 -1.97 -3.45 115.31 103.49 2kj4 h LEU 64 Ca 0.00 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.13 2kj4 h LEU 64 Cb 0.00 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2kj4 h LEU 64 CO 0.00 0.44 0.50 0.00 0.09 0.00 0.00 178.44 179.47 2kj4 s ARG 65 N -5.63 1.25 0.76 1.13 1.70 -1.26 -4.74 118.95 112.16 2kj4 s ARG 65 Ca -0.09 -0.72 -0.15 0.00 -0.47 0.00 0.00 55.73 54.30 2kj4 s ARG 65 Cb 0.18 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.98 2kj4 s ARG 65 CO 0.75 -0.57 0.89 -2.30 -1.08 0.00 0.00 175.30 172.99 2kj4 n PRO 66 N -0.51 0.32 -3.87 3.89 -0.02 -1.17 -4.80 135.00 128.84 2kj4 n PRO 66 Ca -0.06 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 2kj4 n PRO 66 Cb 0.60 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.93 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 -1.96 0.38 0.11 6.00 1.48 -0.39 0.14 118.94 124.70 2kj4 s TRP 67 Ca 0.70 -0.96 -0.25 0.00 -1.06 0.00 0.00 56.10 54.53 2kj4 s TRP 67 Cb -0.32 0.63 0.07 0.00 -1.16 0.00 0.00 33.47 32.69 2kj4 s TRP 67 CO 0.53 -1.50 0.81 0.00 -4.06 0.00 0.00 176.95 172.74 2kj4 s PHE 69 N -3.43 3.89 0.28 0.00 0.40 -1.26 -1.40 117.98 116.47 2kj4 s PHE 69 Ca 0.07 1.78 -0.17 0.00 -0.60 0.00 0.00 56.93 58.00 2kj4 s PHE 69 Cb -0.02 -2.88 -0.09 0.00 0.51 0.00 0.00 43.02 40.54 2kj4 s PHE 69 CO -0.05 0.42 0.74 0.99 0.70 0.00 0.00 175.22 178.02 2kj4 s THR 70 N -1.27 4.62 -2.35 0.64 2.01 -0.16 0.43 115.64 119.56 2kj4 s THR 70 Ca 0.41 1.12 0.29 0.00 0.31 0.00 0.00 61.69 63.82 2kj4 s THR 70 Cb -0.23 -3.72 0.59 0.00 0.01 0.00 0.00 72.50 69.15 2kj4 s THR 70 CO 0.28 -0.02 1.82 1.07 -0.69 0.00 0.00 174.62 177.08 2kj4 n THR 71 N 0.10 0.00 -2.99 -0.82 5.66 -0.60 -4.38 114.28 111.24 2kj4 n THR 71 Ca 0.01 -0.19 -0.41 0.00 -3.05 0.00 0.00 64.05 60.41 2kj4 n THR 71 Cb 0.52 0.30 -0.05 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 -2.04 6.75 0.34 1.09 -1.08 -1.26 -4.86 116.67 115.60 2kj4 s ASP 72 Ca 0.39 0.92 0.11 0.00 -0.52 0.00 0.00 52.55 53.45 2kj4 s ASP 72 Cb 0.21 -2.39 0.91 0.00 -1.46 0.00 0.00 42.92 40.19 2kj4 s ASP 72 CO 0.36 -0.41 1.76 1.55 0.52 0.00 0.00 175.17 178.94 2kj4 h PRO 73 N 7.66 0.56 -0.47 4.34 0.13 -2.00 -1.05 132.00 141.17 2kj4 h PRO 73 Ca -0.26 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2kj4 h PRO 73 Cb 1.12 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2kj4 h PRO 73 CO 0.82 0.37 -0.09 -0.97 -0.23 0.00 0.00 178.00 177.89 2kj4 h ASN 74 N 0.57 0.83 -3.68 1.44 -0.73 -1.96 -3.42 115.58 108.64 2kj4 h ASN 74 Ca 0.61 -0.25 -0.63 0.00 1.87 0.00 0.00 56.30 57.91 2kj4 h ASN 74 Cb 1.22 -0.23 -0.15 0.00 0.27 0.00 0.00 38.32 39.43 2kj4 h ASN 74 CO -0.40 0.95 -0.47 -0.75 -0.37 0.00 0.00 177.43 176.39 2kj4 s LYS 75 N -4.83 4.04 -0.11 6.67 2.47 -0.40 -4.97 119.74 122.61 2kj4 s LYS 75 Ca -0.10 -0.24 -0.22 0.00 -1.56 0.00 0.00 55.97 53.85 2kj4 s LYS 75 Cb 0.14 -3.58 -0.19 0.00 -1.46 0.00 0.00 37.83 32.73 2kj4 s LYS 75 CO 0.83 -0.04 0.68 -0.09 0.16 0.00 0.00 175.35 176.89 2kj4 h ARG 76 N 7.81 -0.03 -3.95 4.03 2.43 -1.81 -3.37 114.38 119.49 2kj4 h ARG 76 Ca -0.37 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.70 2kj4 h ARG 76 Cb 1.18 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.60 2kj4 h ARG 76 CO 0.63 0.66 -0.41 1.67 -1.51 0.00 0.00 179.97 181.01 2kj4 s TRP 77 N -2.42 0.37 0.08 2.20 1.48 -1.26 -0.99 118.94 118.40 2kj4 s TRP 77 Ca -0.14 -0.78 -0.08 0.00 -1.06 0.00 0.00 56.10 54.04 2kj4 s TRP 77 Cb -0.02 -0.13 -0.00 0.00 -1.16 0.00 0.00 33.47 32.15 2kj4 s TRP 77 CO 0.53 -0.60 0.17 -1.21 -4.06 0.00 0.00 176.95 171.77 2kj4 s GLU 78 N -3.93 0.81 0.52 3.25 2.02 -0.49 -4.80 118.70 116.07 2kj4 s GLU 78 Ca 0.13 -0.95 -0.17 0.00 0.02 0.00 0.00 54.97 53.99 2kj4 s GLU 78 Cb 0.05 0.32 -0.07 0.00 0.10 0.00 0.00 34.13 34.53 2kj4 s GLU 78 CO -0.05 -0.25 1.00 0.71 0.02 0.00 0.00 175.26 176.70 2kj4 s TYR 79 N -3.75 3.32 -0.20 1.61 2.02 -1.26 -1.18 117.35 117.92 2kj4 s TYR 79 Ca 0.04 1.49 -0.05 0.00 -0.37 0.00 0.00 57.07 58.18 2kj4 s TYR 79 Cb 0.05 -2.85 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 2kj4 s TYR 79 CO -0.10 -0.52 0.00 0.00 -1.57 0.00 0.00 175.55 173.36 2kj4 s ASP 81 N 0.93 6.42 -0.11 0.00 2.15 -1.26 -4.43 116.67 120.36 2kj4 s ASP 81 Ca 0.01 -1.97 -0.05 0.00 0.43 0.00 0.00 52.55 50.97 2kj4 s ASP 81 Cb -0.14 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2kj4 s ASP 81 CO 0.02 -0.90 0.07 -0.63 -0.17 0.00 0.00 175.17 173.57 2kj4 s ILE 82 N 1.72 4.92 -0.39 4.11 1.01 -1.26 -4.88 121.20 126.43 2kj4 s ILE 82 Ca 0.15 -0.01 -0.44 0.00 0.00 0.00 0.00 60.65 60.34 2kj4 s ILE 82 Cb -0.18 -3.12 -0.19 0.00 0.01 0.00 0.00 42.46 38.98 2kj4 s ILE 82 CO -0.01 0.60 1.59 -2.65 0.00 0.00 0.00 174.94 174.47 2kj4 n PRO 83 N 2.20 0.32 -3.87 2.79 -0.02 -1.26 -4.86 135.00 130.31 2kj4 n PRO 83 Ca -0.19 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 2kj4 n PRO 83 Cb 0.54 -1.67 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.86 3.79 -0.10 -0.52 3.00 -1.26 -0.10 118.95 126.62 2kj4 s ARG 84 Ca 1.02 -0.42 -0.00 0.00 -1.00 0.00 0.00 55.73 55.32 2kj4 s ARG 84 Cb -1.36 -3.30 -0.03 0.00 0.00 0.00 0.00 34.95 30.27 2kj4 s ARG 84 CO 0.75 -0.01 -0.07 0.00 0.00 0.00 0.00 175.30 175.98 2kj4 h ALA 86 N 5.77 1.11 0.00 0.00 0.00 -1.95 0.13 119.26 124.32 2kj4 h ALA 86 Ca -0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2kj4 h ALA 86 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kj4 h ALA 86 CO 0.55 0.55 0.00 0.00 0.00 0.00 0.00 179.25 180.36