#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 s VAL 2 N 0.00 4.58 0.15 2.97 1.01 -1.26 -4.91 120.40 122.94 2kj4 s VAL 2 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 2kj4 s VAL 2 Cb 0.00 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2kj4 s VAL 2 CO 0.00 -0.76 1.56 -0.33 0.00 0.00 0.00 175.10 175.57 2kj4 h GLU 3 N 9.01 0.89 -4.66 2.72 5.08 -2.11 -3.38 114.58 122.13 2kj4 h GLU 3 Ca -0.24 -0.34 -0.71 0.00 -1.00 0.00 0.00 59.36 57.07 2kj4 h GLU 3 Cb 1.08 -0.05 -0.20 0.00 0.50 0.00 0.00 28.75 30.08 2kj4 h GLU 3 CO 0.99 0.99 0.03 0.12 -1.00 0.00 0.00 179.01 180.13 2kj4 s PHE 4 N -4.81 3.05 0.09 4.33 5.36 -1.26 -4.69 117.98 120.05 2kj4 s PHE 4 Ca -0.12 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 54.96 2kj4 s PHE 4 Cb 0.11 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 2kj4 s PHE 4 CO 0.84 -1.17 0.00 0.43 -1.46 0.00 0.00 175.22 173.86 2kj4 n SER 5 N 6.09 -0.26 -4.03 6.13 7.64 -1.26 -5.06 113.62 122.88 2kj4 n SER 5 Ca -0.09 0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 2kj4 n SER 5 Cb 0.43 0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.85 2kj4 n SER 5 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kj4 s GLU 6 N -1.27 1.76 0.00 1.43 2.02 -1.26 -5.00 118.70 116.38 2kj4 s GLU 6 Ca 0.00 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2kj4 s GLU 6 Cb 0.00 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.90 2kj4 s GLU 6 CO 0.00 -1.02 0.00 0.39 0.02 0.00 0.00 175.26 174.65 2kj4 n GLU 7 N 3.99 0.00 -4.34 1.61 1.02 -1.26 -5.09 120.64 116.58 2kj4 n GLU 7 Ca 0.03 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.91 2kj4 n GLU 7 Cb 0.39 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.71 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 -2.77 2.51 0.23 0.00 1.75 0.36 -4.77 119.30 116.61 2kj4 s MET 9 Ca 0.23 -0.71 -0.31 0.00 -1.25 0.00 0.00 55.69 53.65 2kj4 s MET 9 Cb -0.08 -2.43 -0.12 0.00 2.84 0.00 0.00 34.83 35.04 2kj4 s MET 9 CO 0.13 0.62 1.69 -1.58 -0.65 0.00 0.00 175.02 175.23 2kj4 s HIS 10 N -0.85 2.86 0.00 4.11 2.46 -1.25 0.17 115.29 122.79 2kj4 s HIS 10 Ca 0.14 0.46 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2kj4 s HIS 10 Cb -0.11 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 2kj4 s HIS 10 CO 0.03 -4.14 0.00 0.41 -2.47 0.00 0.00 174.74 168.57 2kj4 n GLY 11 N 3.48 0.67 0.76 1.59 0.00 0.28 -3.77 105.19 108.19 2kj4 n GLY 11 Ca 0.14 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 45.05 2kj4 n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kj4 n SER 12 N 2.42 2.57 0.00 1.61 2.88 -1.26 -4.43 113.62 117.41 2kj4 n SER 12 Ca 0.00 -1.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.75 2kj4 n SER 12 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2kj4 n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kj4 n GLY 13 N 1.37 0.81 0.20 0.46 0.00 -1.25 -3.58 105.19 103.21 2kj4 n GLY 13 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 3.50 0.00 -0.05 1.61 4.81 -1.83 -2.68 114.58 119.94 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 0.32 0.00 -1.71 -0.73 0.00 0.00 179.01 176.89 2kj4 n ASN 15 N -3.57 2.63 -4.68 1.04 2.85 -1.26 -4.66 115.26 107.61 2kj4 n ASN 15 Ca -0.00 -1.87 -0.45 0.00 -0.11 0.00 0.00 54.58 52.14 2kj4 n ASN 15 Cb 0.46 -0.02 -0.04 0.00 1.24 0.00 0.00 39.78 41.42 2kj4 n ASN 15 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kj4 n TYR 16 N 1.05 2.43 0.23 1.20 9.36 -1.01 -4.86 117.16 125.56 2kj4 n TYR 16 Ca 0.16 -0.03 0.04 0.00 3.32 0.00 0.00 57.90 61.38 2kj4 n TYR 16 Cb 0.53 -2.68 0.04 0.00 -0.63 0.00 0.00 39.34 36.61 2kj4 n TYR 16 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2kj4 n ASP 17 N 5.70 1.80 -4.66 2.98 5.75 -1.26 -4.94 116.55 121.92 2kj4 n ASP 17 Ca 0.20 -1.44 -0.29 0.00 -0.01 0.00 0.00 54.79 53.25 2kj4 n ASP 17 Cb 0.33 -0.03 0.17 0.00 -1.03 0.00 0.00 41.12 40.56 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2kj4 s GLY 18 N -0.69 1.59 -0.17 6.12 0.00 -1.26 -4.95 107.32 107.96 2kj4 s GLY 18 Ca 0.10 -0.12 0.14 0.00 0.00 0.00 0.00 44.72 44.84 2kj4 s GLY 18 CO 0.10 0.44 1.61 0.28 0.00 0.00 0.00 173.10 175.52 2kj4 n LYS 19 N -4.17 4.14 -2.16 2.90 5.02 -1.26 -4.74 118.16 117.89 2kj4 n LYS 19 Ca 0.06 -2.78 -0.43 0.00 -2.02 0.00 0.00 58.31 53.15 2kj4 n LYS 19 Cb 0.55 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.29 3.80 -0.53 -0.18 1.01 -1.26 -4.81 121.20 116.94 2kj4 s ILE 20 Ca 0.49 0.93 0.05 0.00 0.00 0.00 0.00 60.65 62.11 2kj4 s ILE 20 Cb 0.35 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 39.15 2kj4 s ILE 20 CO 0.18 -0.24 0.79 -1.54 0.00 0.00 0.00 174.94 174.14 2kj4 n SER 21 N 7.82 1.71 -4.57 3.58 3.41 -1.26 0.18 113.62 124.49 2kj4 n SER 21 Ca 0.17 -1.45 -0.34 0.00 -0.26 0.00 0.00 58.87 57.00 2kj4 n SER 21 Cb 0.45 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.58 2.73 0.07 4.33 3.01 -1.26 -0.27 119.74 127.77 2kj4 s LYS 22 Ca 0.07 -0.56 -0.01 0.00 -1.01 0.00 0.00 55.97 54.45 2kj4 s LYS 22 Cb 0.04 -2.57 0.02 0.00 -1.01 0.00 0.00 37.83 34.31 2kj4 s LYS 22 CO 0.06 0.66 0.09 0.25 0.51 0.00 0.00 175.35 176.91 2kj4 n THR 23 N 2.25 0.00 0.32 2.17 -2.24 0.12 -4.73 114.28 112.16 2kj4 n THR 23 Ca -0.18 -0.06 0.16 0.00 -2.27 0.00 0.00 64.05 61.70 2kj4 n THR 23 Cb 0.53 -1.89 0.67 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.02 -0.78 -0.00 -0.84 0.30 114.93 113.59 2kj4 h MET 24 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2kj4 h MET 24 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.68 2kj4 h MET 24 CO 0.02 0.00 -0.30 0.43 -0.00 0.00 0.00 176.91 177.06 2kj4 n SER 25 N -2.76 2.10 -0.16 -0.10 7.64 -1.26 -4.91 113.62 114.17 2kj4 n SER 25 Ca 0.01 -1.55 -0.02 0.00 1.01 0.00 0.00 58.87 58.32 2kj4 n SER 25 Cb 0.24 0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.54 3.90 0.23 0.00 0.09 -5.02 105.19 106.31 2kj4 n GLY 26 Ca 0.11 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.46 3.44 0.09 0.99 1.43 -1.26 -4.53 118.68 118.38 2kj4 s LEU 27 Ca 0.00 1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.91 2kj4 s LEU 27 Cb 0.00 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.18 2kj4 s LEU 27 CO 0.00 -0.75 0.61 -1.61 0.23 0.00 0.00 176.35 174.82 2kj4 s GLU 28 N -4.91 4.27 0.45 1.70 2.02 -1.26 0.15 118.70 121.11 2kj4 s GLU 28 Ca 0.51 0.81 -0.21 0.00 0.02 0.00 0.00 54.97 56.10 2kj4 s GLU 28 Cb -0.11 -3.23 -0.10 0.00 0.10 0.00 0.00 34.13 30.79 2kj4 s GLU 28 CO 0.47 0.62 0.97 0.00 0.02 0.00 0.00 175.26 177.35 2kj4 s GLN 30 N -3.24 4.33 0.27 0.00 0.74 0.16 -4.68 119.66 117.23 2kj4 s GLN 30 Ca 0.63 0.73 -0.31 0.00 0.05 0.00 0.00 55.36 56.46 2kj4 s GLN 30 Cb -0.11 -3.36 -0.12 0.00 1.10 0.00 0.00 33.01 30.52 2kj4 s GLN 30 CO 0.16 0.32 1.51 0.00 -0.55 0.00 0.00 175.29 176.73 2kj4 n ALA 31 N 2.90 1.90 0.27 1.58 0.00 -1.26 -4.53 120.51 121.36 2kj4 n ALA 31 Ca -0.06 0.39 0.15 0.00 0.00 0.00 0.00 53.44 53.92 2kj4 n ALA 31 Cb 0.51 -2.38 0.86 0.00 0.00 0.00 0.00 19.45 18.45 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 4.53 0.00 0.00 0.00 4.06 -1.19 0.86 115.95 124.21 2kj4 h TRP 32 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 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 0.57 0.00 -0.08 -3.47 -3.56 0.00 0.00 178.44 171.90 2kj4 n ASP 33 N -3.93 0.63 -4.79 -3.49 2.03 -1.26 -4.41 116.55 101.33 2kj4 n ASP 33 Ca -0.02 0.49 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 2kj4 n ASP 33 Cb 0.14 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 39.87 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 -4.15 5.83 -0.18 1.67 0.15 0.29 -4.98 113.70 112.34 2kj4 s SER 34 Ca 0.11 0.27 0.16 0.00 0.70 0.00 0.00 55.95 57.19 2kj4 s SER 34 Cb 0.14 -1.76 0.58 0.00 -1.71 0.00 0.00 66.02 63.27 2kj4 s SER 34 CO 0.60 0.35 1.48 0.00 1.20 0.00 0.00 173.24 176.88 2kj4 n GLN 35 N 1.74 3.34 -3.73 5.44 1.13 -1.26 -4.76 117.38 119.28 2kj4 n GLN 35 Ca -0.17 -2.86 -0.18 0.00 -1.94 0.00 0.00 57.00 51.86 2kj4 n GLN 35 Cb 0.54 -1.89 -0.17 0.00 0.11 0.00 0.00 30.24 28.83 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 -1.61 0.66 0.02 1.08 0.01 -1.26 -3.10 113.70 109.49 2kj4 s SER 36 Ca 0.44 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.79 2kj4 s SER 36 Cb 0.34 -0.12 -0.25 0.00 0.21 0.00 0.00 66.02 66.20 2kj4 s SER 36 CO 0.11 -0.19 0.90 1.55 0.41 0.00 0.00 173.24 176.02 2kj4 h PRO 37 N 7.88 0.11 -5.56 12.44 0.13 -1.88 -3.46 132.00 141.66 2kj4 h PRO 37 Ca -0.28 -0.19 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 2kj4 h PRO 37 Cb 1.12 0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2kj4 h PRO 37 CO 0.31 0.91 0.10 -1.01 -0.23 0.00 0.00 178.00 178.08 2kj4 s HIS 38 N -2.63 3.33 0.04 1.56 3.76 -1.26 -5.03 115.29 115.06 2kj4 s HIS 38 Ca -0.06 0.84 -0.24 0.00 -0.15 0.00 0.00 55.06 55.46 2kj4 s HIS 38 Cb 0.08 -2.79 -0.06 0.00 1.11 0.00 0.00 32.58 30.92 2kj4 s HIS 38 CO 0.83 -0.23 0.72 0.00 -0.85 0.00 0.00 174.74 175.21 2kj4 s ALA 39 N 2.12 3.41 0.28 -1.40 0.00 -1.18 -4.42 121.76 120.57 2kj4 s ALA 39 Ca 0.27 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2kj4 s ALA 39 Cb -0.16 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2kj4 s ALA 39 CO 0.09 0.11 0.34 -3.38 0.00 0.00 0.00 175.76 172.92 2kj4 s HIS 40 N -0.17 1.11 -1.28 0.00 -3.43 -1.26 -5.03 115.29 105.23 2kj4 s HIS 40 Ca 0.36 -1.30 0.14 0.00 -0.80 0.00 0.00 55.06 53.47 2kj4 s HIS 40 Cb -0.20 -0.30 0.39 0.00 -1.43 0.00 0.00 32.58 31.04 2kj4 s HIS 40 CO 0.21 -0.92 1.32 0.41 -2.00 0.00 0.00 174.74 173.77 2kj4 n GLY 41 N -0.46 2.54 2.90 -1.38 0.00 -1.26 -4.73 105.19 102.79 2kj4 n GLY 41 Ca 0.02 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 0.86 3.09 -3.05 1.61 4.02 -1.26 -4.95 117.16 117.49 2kj4 n TYR 42 Ca 0.15 -2.83 -0.40 0.00 -0.01 0.00 0.00 57.90 54.81 2kj4 n TYR 42 Cb 0.48 -2.00 -0.05 0.00 -0.02 0.00 0.00 39.34 37.76 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 0.62 5.04 0.17 -0.72 -1.09 -1.26 -4.67 121.20 119.28 2kj4 s ILE 43 Ca 0.40 1.43 0.34 0.00 -2.23 0.00 0.00 60.65 60.59 2kj4 s ILE 43 Cb 0.09 -4.04 0.36 0.00 -1.58 0.00 0.00 42.46 37.30 2kj4 s ILE 43 CO -0.00 0.23 2.03 -0.65 -1.23 0.00 0.00 174.94 175.32 2kj4 h PRO 44 N 6.84 0.00 0.03 2.79 0.11 -1.85 -2.59 132.00 137.33 2kj4 h PRO 44 Ca -0.40 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.49 2kj4 h PRO 44 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2kj4 h PRO 44 CO 0.76 0.00 -1.07 0.66 -0.21 0.00 0.00 178.00 178.14 2kj4 h SER 45 N 0.00 0.10 0.53 -2.05 4.64 -1.93 -3.26 113.55 111.59 2kj4 h SER 45 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2kj4 h SER 45 Cb 0.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2kj4 h SER 45 CO 0.00 1.08 -1.00 2.29 -0.87 0.00 0.00 176.83 178.34 2kj4 n LYS 46 N -3.39 0.33 -3.44 4.77 2.85 -1.01 -4.35 118.16 113.92 2kj4 n LYS 46 Ca -0.02 0.01 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 2kj4 n LYS 46 Cb 0.96 -1.62 -0.08 0.00 -0.65 0.00 0.00 35.03 33.63 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 -2.06 2.78 -0.03 5.58 3.72 -1.02 -4.94 117.46 121.50 2kj4 n PHE 47 Ca 0.02 -4.05 -0.16 0.00 -0.05 0.00 0.00 57.45 53.21 2kj4 n PHE 47 Cb 0.45 -0.51 -0.09 0.00 -0.94 0.00 0.00 39.48 38.40 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 4.35 0.45 0.00 -1.08 0.13 -1.76 -3.18 132.00 130.91 2kj4 h PRO 48 Ca 0.17 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kj4 h PRO 48 Cb 0.72 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2kj4 h PRO 48 CO 0.74 1.01 0.00 0.27 -0.23 0.00 0.00 178.00 179.79 2kj4 n ASN 49 N -4.29 0.00 -0.92 1.44 6.94 -1.26 -1.32 115.26 115.85 2kj4 n ASN 49 Ca -0.08 -0.33 0.12 0.00 -0.02 0.00 0.00 54.58 54.27 2kj4 n ASN 49 Cb 0.57 -0.14 0.18 0.00 -2.36 0.00 0.00 39.78 38.03 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 -1.14 2.26 -3.64 -3.83 4.76 -1.20 -4.97 118.16 110.39 2kj4 n LYS 50 Ca 0.13 -1.84 -0.25 0.00 -2.87 0.00 0.00 58.31 53.47 2kj4 n LYS 50 Cb 0.11 -1.47 0.06 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 1.19 -6.00 -4.55 4.39 5.15 -0.43 -4.58 115.26 110.42 2kj4 n ASN 51 Ca 0.16 -0.58 -0.34 0.00 -0.60 0.00 0.00 54.58 53.22 2kj4 n ASN 51 Cb 0.56 -4.74 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kj4 s LEU 52 N -7.27 3.24 0.11 1.20 1.02 -1.26 -4.93 118.68 110.78 2kj4 s LEU 52 Ca 0.59 -0.15 0.09 0.00 0.02 0.00 0.00 54.13 54.69 2kj4 s LEU 52 Cb -0.27 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 2kj4 s LEU 52 CO 0.73 -2.50 -0.20 -0.54 0.02 0.00 0.00 176.35 173.86 2kj4 s LYS 53 N 6.96 1.74 0.00 1.70 3.01 -1.26 -4.73 119.74 127.16 2kj4 s LYS 53 Ca 0.67 -1.19 0.00 0.00 -1.01 0.00 0.00 55.97 54.45 2kj4 s LYS 53 Cb -0.10 -2.07 0.00 0.00 -1.01 0.00 0.00 37.83 34.65 2kj4 s LYS 53 CO 0.11 0.48 0.00 1.63 0.51 0.00 0.00 175.35 178.08 2kj4 n LYS 54 N 0.97 0.00 -1.42 1.68 5.02 -1.26 -0.88 118.16 122.27 2kj4 n LYS 54 Ca -0.16 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.17 2kj4 n LYS 54 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.59 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 1.88 1.20 -4.76 4.39 6.94 -1.26 -0.66 115.26 122.99 2kj4 n ASN 55 Ca 0.00 -2.35 -0.40 0.00 -0.02 0.00 0.00 54.58 51.81 2kj4 n ASN 55 Cb 0.00 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.79 3.85 0.15 -2.53 2.02 -0.06 -4.40 117.35 115.59 2kj4 s TYR 56 Ca 0.35 1.64 -0.32 0.00 -0.37 0.00 0.00 57.07 58.36 2kj4 s TYR 56 Cb 0.38 -2.84 -0.11 0.00 -0.40 0.00 0.00 41.96 38.99 2kj4 s TYR 56 CO -0.14 0.40 1.78 0.00 -1.57 0.00 0.00 175.55 176.02 2kj4 s ARG 58 N 2.08 1.39 -0.45 0.00 1.81 -0.72 -4.83 118.95 118.23 2kj4 s ARG 58 Ca 0.80 -1.75 0.06 0.00 -1.72 0.00 0.00 55.73 53.11 2kj4 s ARG 58 Cb -0.51 -0.13 0.20 0.00 -0.45 0.00 0.00 34.95 34.07 2kj4 s ARG 58 CO 0.36 -0.33 0.45 -1.71 -0.68 0.00 0.00 175.30 173.39 2kj4 n ASN 59 N -0.47 0.46 0.08 0.23 5.15 -1.20 -1.50 115.26 118.00 2kj4 n ASN 59 Ca 0.01 -2.66 -0.22 0.00 -0.60 0.00 0.00 54.58 51.11 2kj4 n ASN 59 Cb 0.66 -0.61 -0.15 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 4.93 0.38 0.00 1.20 0.13 -1.88 -3.33 132.00 133.43 2kj4 h PRO 60 Ca 0.18 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kj4 h PRO 60 Cb 0.86 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kj4 h PRO 60 CO 0.48 1.31 -0.00 -0.40 -0.23 0.00 0.00 178.00 179.15 2kj4 n ASP 61 N -3.91 0.40 -1.96 1.44 5.75 -1.26 -4.93 116.55 112.08 2kj4 n ASP 61 Ca -0.18 0.53 -0.03 0.00 -0.01 0.00 0.00 54.79 55.10 2kj4 n ASP 61 Cb 0.96 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.87 -0.57 -0.03 0.11 1.74 -1.25 -5.08 116.66 109.71 2kj4 n ARG 62 Ca 0.06 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2kj4 n ARG 62 Cb 0.38 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 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 -1.86 0.00 0.08 0.55 -0.08 -1.26 -4.99 116.55 109.00 2kj4 n ASP 63 Ca -0.02 -0.24 -0.05 0.00 -1.51 0.00 0.00 54.79 52.98 2kj4 n ASP 63 Cb 0.53 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.10 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 0.28 -7.55 -2.67 4.07 -1.98 -3.47 115.31 103.99 2kj4 h LEU 64 Ca 0.00 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 57.84 2kj4 h LEU 64 Cb 0.00 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.58 2kj4 h LEU 64 CO 0.00 0.82 0.25 0.00 -1.08 0.00 0.00 178.44 178.43 2kj4 s ARG 65 N -3.75 1.52 0.84 1.13 1.70 -1.26 -4.93 118.95 114.19 2kj4 s ARG 65 Ca -0.04 -0.74 -0.14 0.00 -0.47 0.00 0.00 55.73 54.34 2kj4 s ARG 65 Cb 0.12 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 35.12 2kj4 s ARG 65 CO 0.80 -0.68 0.75 -2.30 -1.08 0.00 0.00 175.30 172.78 2kj4 n PRO 66 N -0.42 0.03 -3.74 3.89 -0.02 -1.23 -4.83 135.00 128.67 2kj4 n PRO 66 Ca -0.09 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 2kj4 n PRO 66 Cb 0.62 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 -3.18 -2.14 -3.45 6.00 4.27 -0.56 -0.25 117.44 118.12 2kj4 n TRP 67 Ca 0.10 -1.92 -0.11 0.00 -3.89 0.00 0.00 57.50 51.69 2kj4 n TRP 67 Cb 0.51 0.83 -0.02 0.00 -1.36 0.00 0.00 31.31 31.27 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 -3.52 3.60 0.22 0.00 0.08 -1.26 -1.81 117.98 115.28 2kj4 s PHE 69 Ca 0.02 1.56 -0.19 0.00 0.12 0.00 0.00 56.93 58.44 2kj4 s PHE 69 Cb -0.01 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 39.11 2kj4 s PHE 69 CO -0.12 -0.54 0.72 0.99 -0.10 0.00 0.00 175.22 176.17 2kj4 s THR 70 N 0.53 4.59 -2.10 0.64 2.01 -1.14 0.36 115.64 120.53 2kj4 s THR 70 Ca 0.53 1.25 0.30 0.00 0.31 0.00 0.00 61.69 64.08 2kj4 s THR 70 Cb -0.26 -3.85 0.75 0.00 0.01 0.00 0.00 72.50 69.15 2kj4 s THR 70 CO 0.30 0.20 2.04 1.07 -0.69 0.00 0.00 174.62 177.55 2kj4 n THR 71 N 0.70 0.00 -2.78 -0.82 5.66 -0.83 -4.58 114.28 111.63 2kj4 n THR 71 Ca -0.02 -0.08 -0.42 0.00 -3.05 0.00 0.00 64.05 60.48 2kj4 n THR 71 Cb 0.51 -0.16 -0.03 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.06 7.25 0.56 1.09 2.15 -1.26 -4.81 116.67 119.59 2kj4 s ASP 72 Ca 0.43 1.52 0.37 0.00 0.43 0.00 0.00 52.55 55.29 2kj4 s ASP 72 Cb 0.21 -2.53 1.77 0.00 -0.30 0.00 0.00 42.92 42.07 2kj4 s ASP 72 CO 0.37 -0.28 2.10 1.55 -0.17 0.00 0.00 175.17 178.75 2kj4 h PRO 73 N 6.88 0.00 0.19 4.34 0.13 -2.00 -2.81 132.00 138.72 2kj4 h PRO 73 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.46 2kj4 h PRO 73 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2kj4 h PRO 73 CO 0.78 0.00 -1.30 -0.97 -0.23 0.00 0.00 178.00 176.28 2kj4 h ASN 74 N 0.00 0.62 -3.58 1.44 -0.00 -1.95 -3.42 115.58 108.69 2kj4 h ASN 74 Ca 0.00 -0.92 -0.64 0.00 -0.00 0.00 0.00 56.30 54.74 2kj4 h ASN 74 Cb 0.25 -0.20 -0.14 0.00 -0.00 0.00 0.00 38.32 38.23 2kj4 h ASN 74 CO 0.00 1.61 0.11 -0.54 -0.00 0.00 0.00 177.43 178.61 2kj4 s LYS 75 N -2.52 3.58 0.23 6.67 -0.14 -1.06 -4.87 119.74 121.63 2kj4 s LYS 75 Ca -0.13 -0.08 -0.08 0.00 -1.36 0.00 0.00 55.97 54.32 2kj4 s LYS 75 Cb 0.03 -3.84 0.21 0.00 -1.68 0.00 0.00 37.83 32.55 2kj4 s LYS 75 CO 0.87 -0.78 1.89 -0.09 -0.76 0.00 0.00 175.35 176.48 2kj4 h ARG 76 N 8.55 1.20 -2.58 1.68 9.65 -1.83 -3.35 114.38 127.70 2kj4 h ARG 76 Ca -0.26 -0.09 0.11 0.00 -1.10 0.00 0.00 59.98 58.64 2kj4 h ARG 76 Cb 1.11 -0.26 -0.09 0.00 -1.39 0.00 0.00 29.97 29.34 2kj4 h ARG 76 CO 0.84 0.82 0.39 1.67 2.80 0.00 0.00 179.97 186.49 2kj4 s TRP 77 N -6.03 -0.23 0.13 2.20 1.48 -1.26 -2.87 118.94 112.35 2kj4 s TRP 77 Ca -0.13 -0.07 -0.06 0.00 -1.06 0.00 0.00 56.10 54.78 2kj4 s TRP 77 Cb 0.17 0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 33.09 2kj4 s TRP 77 CO 0.81 -0.89 0.17 -1.21 -4.06 0.00 0.00 176.95 171.77 2kj4 s GLU 78 N -3.48 0.98 0.57 3.25 2.02 -0.75 -4.81 118.70 116.49 2kj4 s GLU 78 Ca 0.09 -1.23 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 2kj4 s GLU 78 Cb -0.02 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.47 2kj4 s GLU 78 CO -0.00 -0.32 0.98 0.71 0.02 0.00 0.00 175.26 176.65 2kj4 s TYR 79 N -3.97 3.58 -0.12 1.61 2.02 -1.26 -1.24 117.35 117.97 2kj4 s TYR 79 Ca 0.17 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 2kj4 s TYR 79 Cb 0.05 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2kj4 s TYR 79 CO -0.02 -0.55 -0.13 0.00 -1.57 0.00 0.00 175.55 173.28 2kj4 s ASP 81 N 0.13 6.72 -0.21 0.00 2.15 -1.26 -4.47 116.67 119.74 2kj4 s ASP 81 Ca -0.06 -2.22 0.02 0.00 0.43 0.00 0.00 52.55 50.71 2kj4 s ASP 81 Cb -0.15 -2.42 0.04 0.00 -0.30 0.00 0.00 42.92 40.09 2kj4 s ASP 81 CO 0.05 -1.03 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.24 2kj4 s ILE 82 N 2.66 1.97 0.13 4.11 1.01 -1.26 -4.97 121.20 124.84 2kj4 s ILE 82 Ca 0.37 -1.15 -0.34 0.00 0.00 0.00 0.00 60.65 59.53 2kj4 s ILE 82 Cb -0.04 -1.93 -0.17 0.00 0.01 0.00 0.00 42.46 40.33 2kj4 s ILE 82 CO -0.07 0.28 1.02 -2.65 0.00 0.00 0.00 174.94 173.52 2kj4 n PRO 83 N 4.59 0.62 -3.80 2.79 -0.02 -1.26 -4.87 135.00 133.05 2kj4 n PRO 83 Ca -0.17 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.17 2kj4 n PRO 83 Cb 0.47 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.36 3.46 -0.14 -0.52 3.52 -1.26 -0.49 118.95 123.16 2kj4 s ARG 84 Ca 0.77 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 2kj4 s ARG 84 Cb -0.99 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 2kj4 s ARG 84 CO 0.54 -0.24 -0.06 0.00 -0.81 0.00 0.00 175.30 174.73 2kj4 n ALA 86 N 3.30 2.71 1.98 0.00 0.00 -1.26 -0.56 120.51 126.68 2kj4 n ALA 86 Ca -0.18 -0.18 0.16 0.00 0.00 0.00 0.00 53.44 53.24 2kj4 n ALA 86 Cb 0.53 -1.36 0.94 0.00 0.00 0.00 0.00 19.45 19.55 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50