#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 -0.20 2.97 0.24 -1.26 -3.02 118.33 117.06 2kj4 n VAL 2 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 2kj4 n VAL 2 Cb 0.00 -0.49 0.45 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.53 -5.14 7.34 3.07 -2.06 -3.19 114.58 115.13 2kj4 h GLU 3 Ca 0.00 -0.03 -0.67 0.00 -0.50 0.00 0.00 59.36 58.16 2kj4 h GLU 3 Cb 0.00 -0.12 -0.17 0.00 -0.84 0.00 0.00 28.75 27.62 2kj4 h GLU 3 CO 0.00 0.35 0.74 -0.06 -1.40 0.00 0.00 179.01 178.64 2kj4 s PHE 4 N -5.53 2.99 0.24 4.33 0.08 -1.17 -4.86 117.98 114.07 2kj4 s PHE 4 Ca -0.09 -1.15 0.04 0.00 0.12 0.00 0.00 56.93 55.86 2kj4 s PHE 4 Cb 0.21 -4.28 0.27 0.00 -0.57 0.00 0.00 43.02 38.65 2kj4 s PHE 4 CO 0.77 -1.53 1.58 0.77 -0.10 0.00 0.00 175.22 176.71 2kj4 h SER 5 N 9.06 0.29 -4.05 1.36 0.02 -1.87 -3.50 113.55 114.86 2kj4 h SER 5 Ca 0.02 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2kj4 h SER 5 Cb 1.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kj4 h SER 5 CO 1.13 0.80 -0.38 1.21 -1.14 0.00 0.00 176.83 178.46 2kj4 n GLU 6 N -3.90 -1.93 -0.94 3.45 4.07 -1.26 -4.86 120.64 115.27 2kj4 n GLU 6 Ca -0.02 1.43 -0.10 0.00 -0.06 0.00 0.00 57.16 58.40 2kj4 n GLU 6 Cb 0.60 -1.60 0.20 0.00 -0.06 0.00 0.00 31.44 30.57 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 -0.78 1.99 -3.87 5.31 1.02 -1.26 -4.79 120.64 118.25 2kj4 n GLU 7 Ca 0.00 -3.14 -0.25 0.00 -0.02 0.00 0.00 57.16 53.75 2kj4 n GLU 7 Cb 0.00 -1.93 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 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 -4.17 3.82 -0.15 0.00 -1.94 0.26 -4.82 119.30 112.31 2kj4 s MET 9 Ca 0.38 0.01 -0.02 0.00 -1.71 0.00 0.00 55.69 54.36 2kj4 s MET 9 Cb -0.01 -3.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.07 2kj4 s MET 9 CO 0.23 -0.49 -0.08 -3.38 -0.01 0.00 0.00 175.02 171.28 2kj4 s HIS 10 N 2.31 2.92 0.00 -0.03 -3.43 -1.26 -0.61 115.29 115.19 2kj4 s HIS 10 Ca 0.19 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 2kj4 s HIS 10 Cb -0.16 -1.92 0.00 0.00 -1.43 0.00 0.00 32.58 29.08 2kj4 s HIS 10 CO 0.11 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 173.10 2kj4 n GLY 11 N 3.65 1.88 0.15 -1.38 0.00 -1.26 -1.68 105.19 106.56 2kj4 n GLY 11 Ca -0.18 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 4.16 0.61 0.00 1.61 7.64 -1.26 -4.87 113.62 121.50 2kj4 n SER 12 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2kj4 n SER 12 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.28 0.81 0.32 0.23 0.00 -0.68 -4.09 105.19 103.06 2kj4 n GLY 13 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 3.37 0.71 -0.48 1.61 5.08 -1.75 -1.82 114.58 121.31 2kj4 h GLU 14 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kj4 h GLU 14 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2kj4 h GLU 14 CO 0.00 0.51 0.00 0.09 -1.00 0.00 0.00 179.01 178.61 2kj4 n ASN 15 N -4.42 2.47 -4.57 1.42 3.02 -1.26 -4.50 115.26 107.41 2kj4 n ASN 15 Ca 0.05 -2.09 -0.41 0.00 -0.03 0.00 0.00 54.58 52.09 2kj4 n ASN 15 Cb 0.08 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kj4 s TYR 16 N -1.54 2.30 -0.35 3.10 5.04 -0.68 -4.82 117.35 120.40 2kj4 s TYR 16 Ca 0.28 0.42 0.07 0.00 -2.44 0.00 0.00 57.07 55.40 2kj4 s TYR 16 Cb 0.16 -4.42 0.50 0.00 0.35 0.00 0.00 41.96 38.54 2kj4 s TYR 16 CO 0.17 -1.95 1.50 -3.47 -1.34 0.00 0.00 175.55 170.46 2kj4 n ASP 17 N 9.52 3.76 -4.06 4.32 -0.08 -1.26 -4.77 116.55 123.97 2kj4 n ASP 17 Ca 0.11 -3.78 -0.30 0.00 -1.51 0.00 0.00 54.79 49.31 2kj4 n ASP 17 Cb 0.49 -0.63 0.23 0.00 2.34 0.00 0.00 41.12 43.55 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kj4 s GLY 18 N -2.63 1.57 -0.24 0.27 0.00 -1.26 -4.98 107.32 100.04 2kj4 s GLY 18 Ca 0.49 -0.76 0.13 0.00 0.00 0.00 0.00 44.72 44.58 2kj4 s GLY 18 CO 0.01 0.05 1.47 0.58 0.00 0.00 0.00 173.10 175.21 2kj4 n LYS 19 N -4.66 2.40 -2.32 2.90 0.00 -1.26 -4.76 118.16 110.47 2kj4 n LYS 19 Ca 0.10 -3.00 -0.43 0.00 -0.00 0.00 0.00 58.31 54.99 2kj4 n LYS 19 Cb 0.59 -1.85 -0.02 0.00 -0.00 0.00 0.00 35.03 33.74 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 -3.04 4.09 -1.11 0.58 1.01 -1.26 -4.85 121.20 116.61 2kj4 s ILE 20 Ca 0.44 1.29 0.10 0.00 0.00 0.00 0.00 60.65 62.49 2kj4 s ILE 20 Cb 0.38 -3.90 0.18 0.00 0.01 0.00 0.00 42.46 39.12 2kj4 s ILE 20 CO 0.05 -0.19 1.02 -1.54 0.00 0.00 0.00 174.94 174.28 2kj4 n SER 21 N 7.01 2.33 -4.45 3.58 3.41 -1.26 -0.51 113.62 123.73 2kj4 n SER 21 Ca 0.15 -1.69 -0.32 0.00 -0.26 0.00 0.00 58.87 56.74 2kj4 n SER 21 Cb 0.45 -0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.93 2.44 0.00 4.33 -0.14 -1.26 -0.70 119.74 123.47 2kj4 s LYS 22 Ca 0.17 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 2kj4 s LYS 22 Cb 0.10 -2.32 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 2kj4 s LYS 22 CO 0.14 0.61 0.00 0.25 -0.76 0.00 0.00 175.35 175.59 2kj4 n THR 23 N 2.32 0.00 0.24 2.17 -2.24 0.11 -4.75 114.28 112.12 2kj4 n THR 23 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2kj4 n THR 23 Cb 0.52 -1.71 0.56 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 -0.02 -0.78 -0.00 -0.59 0.14 114.93 113.68 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 0.13 -0.01 -1.13 -0.00 0.00 0.00 176.91 175.89 2kj4 n SER 25 N -4.33 2.37 0.00 -0.10 3.41 -1.26 -4.78 113.62 108.93 2kj4 n SER 25 Ca -0.03 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 2kj4 n SER 25 Cb 0.20 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.28 0.47 3.88 5.00 0.00 0.50 -5.05 105.19 111.28 2kj4 n GLY 26 Ca 0.16 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 3.02 -0.10 0.99 1.43 -1.26 -4.57 118.68 118.19 2kj4 s LEU 27 Ca 0.00 1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 54.02 2kj4 s LEU 27 Cb 0.00 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 2kj4 s LEU 27 CO 0.00 -1.18 0.93 -0.70 0.23 0.00 0.00 176.35 175.63 2kj4 s GLU 28 N -5.29 4.41 0.40 1.70 2.56 -1.26 -0.72 118.70 120.51 2kj4 s GLU 28 Ca 0.57 1.25 -0.23 0.00 0.00 0.00 0.00 54.97 56.56 2kj4 s GLU 28 Cb -0.11 -3.53 -0.10 0.00 2.00 0.00 0.00 34.13 32.39 2kj4 s GLU 28 CO 0.52 -0.24 0.97 0.00 -0.56 0.00 0.00 175.26 175.95 2kj4 s GLN 30 N -2.83 4.48 0.24 0.00 0.74 0.14 -4.68 119.66 117.75 2kj4 s GLN 30 Ca 0.59 1.06 -0.32 0.00 0.05 0.00 0.00 55.36 56.75 2kj4 s GLN 30 Cb -0.13 -3.44 -0.12 0.00 1.10 0.00 0.00 33.01 30.41 2kj4 s GLN 30 CO 0.18 0.05 1.62 0.00 -0.55 0.00 0.00 175.29 176.59 2kj4 n ALA 31 N 3.71 2.29 0.26 1.58 0.00 -1.26 -4.43 120.51 122.67 2kj4 n ALA 31 Ca 0.01 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.95 2kj4 n ALA 31 Cb 0.51 -2.44 0.69 0.00 0.00 0.00 0.00 19.45 18.20 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 5.61 0.00 -0.17 0.00 4.06 -0.88 -0.22 115.95 124.35 2kj4 h TRP 32 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2kj4 h TRP 32 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2kj4 h TRP 32 CO 0.61 0.07 0.00 -0.40 -3.56 0.00 0.00 178.44 175.16 2kj4 n ASP 33 N -4.17 1.38 -4.52 -3.49 5.75 -1.26 -4.44 116.55 105.80 2kj4 n ASP 33 Ca -0.03 -1.73 -0.26 0.00 -0.01 0.00 0.00 54.79 52.76 2kj4 n ASP 33 Cb 0.15 -0.11 -0.10 0.00 -1.03 0.00 0.00 41.12 40.03 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kj4 s SER 34 N -1.43 3.96 -0.07 -1.12 0.15 -0.10 -5.01 113.70 110.09 2kj4 s SER 34 Ca 0.28 -0.71 0.10 0.00 0.70 0.00 0.00 55.95 56.32 2kj4 s SER 34 Cb 0.15 -0.55 0.21 0.00 -1.71 0.00 0.00 66.02 64.12 2kj4 s SER 34 CO 0.22 0.09 1.14 0.00 1.20 0.00 0.00 173.24 175.89 2kj4 n GLN 35 N -0.03 2.35 -4.96 5.44 1.13 -1.26 -4.76 117.38 115.28 2kj4 n GLN 35 Ca -0.10 -2.12 -0.33 0.00 -1.94 0.00 0.00 57.00 52.51 2kj4 n GLN 35 Cb 0.56 -1.32 -0.15 0.00 0.11 0.00 0.00 30.24 29.44 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 -1.80 3.61 0.12 1.08 0.01 -1.26 -2.99 113.70 112.47 2kj4 s SER 36 Ca 0.20 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.11 2kj4 s SER 36 Cb 0.16 -1.52 -0.19 0.00 0.21 0.00 0.00 66.02 64.68 2kj4 s SER 36 CO 0.04 0.16 1.23 1.55 0.41 0.00 0.00 173.24 176.63 2kj4 h PRO 37 N 6.72 0.00 -5.59 12.44 0.13 -1.85 -3.44 132.00 140.41 2kj4 h PRO 37 Ca -0.23 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.29 2kj4 h PRO 37 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2kj4 h PRO 37 CO 0.52 0.90 0.24 -1.01 -0.23 0.00 0.00 178.00 178.42 2kj4 s HIS 38 N -2.72 3.27 -0.32 1.56 3.76 -1.21 -5.00 115.29 114.62 2kj4 s HIS 38 Ca 0.01 0.84 -0.29 0.00 -0.15 0.00 0.00 55.06 55.46 2kj4 s HIS 38 Cb 0.10 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.85 2kj4 s HIS 38 CO 0.81 -0.39 1.30 0.00 -0.85 0.00 0.00 174.74 175.62 2kj4 s ALA 39 N 2.63 3.32 0.18 -1.40 0.00 -1.16 -4.43 121.76 120.90 2kj4 s ALA 39 Ca 0.28 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.35 2kj4 s ALA 39 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 2kj4 s ALA 39 CO 0.09 -1.85 -0.13 -3.38 0.00 0.00 0.00 175.76 170.49 2kj4 s HIS 40 N 4.47 1.52 -1.45 0.00 -3.43 -1.26 -5.02 115.29 110.12 2kj4 s HIS 40 Ca 0.56 -0.65 0.13 0.00 -0.80 0.00 0.00 55.06 54.31 2kj4 s HIS 40 Cb -0.16 -0.73 0.48 0.00 -1.43 0.00 0.00 32.58 30.74 2kj4 s HIS 40 CO 0.24 0.24 1.35 0.41 -2.00 0.00 0.00 174.74 174.98 2kj4 n GLY 41 N -0.26 1.74 3.06 -1.38 0.00 -1.26 -4.59 105.19 102.51 2kj4 n GLY 41 Ca -0.09 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 0.75 3.32 -2.94 1.61 4.02 -1.26 -4.96 117.16 117.70 2kj4 n TYR 42 Ca 0.17 -2.95 -0.41 0.00 -0.01 0.00 0.00 57.90 54.71 2kj4 n TYR 42 Cb 0.59 -1.72 -0.04 0.00 -0.02 0.00 0.00 39.34 38.14 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 -0.73 4.94 -0.74 -0.72 -1.09 -1.26 -4.69 121.20 116.90 2kj4 s ILE 43 Ca 0.36 1.56 0.11 0.00 -2.23 0.00 0.00 60.65 60.45 2kj4 s ILE 43 Cb 0.04 -4.10 0.10 0.00 -1.58 0.00 0.00 42.46 36.92 2kj4 s ILE 43 CO 0.03 0.10 1.33 -2.65 -1.23 0.00 0.00 174.94 172.52 2kj4 n PRO 44 N 4.74 0.06 0.05 2.79 -0.02 -1.26 -1.19 135.00 140.16 2kj4 n PRO 44 Ca 0.02 0.48 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 2kj4 n PRO 44 Cb 0.50 -1.66 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.00 0.46 2.55 0.02 -1.93 -2.46 113.55 112.19 2kj4 h SER 45 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kj4 h SER 45 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kj4 h SER 45 CO 0.00 0.94 -1.43 2.29 -1.14 0.00 0.00 176.83 177.49 2kj4 n LYS 46 N -3.27 0.56 -3.05 3.45 2.85 -0.34 -4.30 118.16 114.06 2kj4 n LYS 46 Ca -0.03 -0.04 -0.24 0.00 -1.05 0.00 0.00 58.31 56.96 2kj4 n LYS 46 Cb 0.94 -1.65 -0.04 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 -2.35 2.56 0.03 5.58 3.72 -0.73 -4.92 117.46 121.34 2kj4 n PHE 47 Ca -0.01 -3.93 -0.11 0.00 -0.05 0.00 0.00 57.45 53.35 2kj4 n PHE 47 Cb 0.53 -0.46 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 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 3.06 0.48 0.00 -1.08 0.13 -1.62 -3.01 132.00 129.95 2kj4 h PRO 48 Ca 0.12 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kj4 h PRO 48 Cb 0.68 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2kj4 h PRO 48 CO 0.70 1.00 0.00 -2.95 -0.23 0.00 0.00 178.00 176.52 2kj4 h ASN 49 N 0.34 0.00 -0.15 1.44 -1.07 -1.91 -1.92 115.58 112.31 2kj4 h ASN 49 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.34 2kj4 h ASN 49 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2kj4 h ASN 49 CO 0.12 0.00 0.00 0.29 0.07 0.00 0.00 177.43 177.91 2kj4 n LYS 50 N -2.43 1.76 -3.76 4.14 4.76 -1.14 -4.92 118.16 116.58 2kj4 n LYS 50 Ca 0.01 -1.14 -0.26 0.00 -2.87 0.00 0.00 58.31 54.05 2kj4 n LYS 50 Cb 0.18 -1.42 0.04 0.00 -1.84 0.00 0.00 35.03 32.00 2kj4 n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2kj4 n ASN 51 N 0.36 -4.09 -4.55 4.39 4.13 -0.72 -4.80 115.26 109.98 2kj4 n ASN 51 Ca 0.17 -0.72 -0.39 0.00 1.68 0.00 0.00 54.58 55.31 2kj4 n ASN 51 Cb 0.35 -4.28 -0.03 0.00 -1.54 0.00 0.00 39.78 34.28 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kj4 s LEU 52 N -7.08 3.24 0.04 3.41 2.96 -1.26 -4.93 118.68 115.07 2kj4 s LEU 52 Ca 0.44 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2kj4 s LEU 52 Cb -0.21 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2kj4 s LEU 52 CO 0.80 -2.02 -0.06 -0.54 -1.32 0.00 0.00 176.35 173.21 2kj4 s LYS 53 N 6.10 0.49 2.20 1.98 1.02 -1.26 -4.68 119.74 125.58 2kj4 s LYS 53 Ca 0.48 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2kj4 s LYS 53 Cb -0.08 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2kj4 s LYS 53 CO 0.12 -0.00 0.00 1.63 -0.92 0.00 0.00 175.35 176.18 2kj4 n LYS 54 N 1.28 0.00 -1.51 1.68 4.76 -1.26 -2.94 118.16 120.17 2kj4 n LYS 54 Ca -0.22 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.02 2kj4 n LYS 54 Cb 0.56 0.00 0.09 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 -2.17 4.78 -4.81 4.39 6.94 -1.26 -0.20 115.26 122.92 2kj4 n ASN 55 Ca 0.00 -3.78 -0.38 0.00 -0.02 0.00 0.00 54.58 50.40 2kj4 n ASN 55 Cb 0.00 -0.57 -0.06 0.00 -2.36 0.00 0.00 39.78 36.79 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 -3.55 3.77 -0.21 -2.53 2.02 -1.15 -4.21 117.35 111.49 2kj4 s TYR 56 Ca 0.52 1.28 -0.29 0.00 -0.37 0.00 0.00 57.07 58.21 2kj4 s TYR 56 Cb 0.43 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 2kj4 s TYR 56 CO 0.01 0.54 1.93 0.00 -1.57 0.00 0.00 175.55 176.45 2kj4 s ARG 58 N 5.48 1.71 -0.36 0.00 1.81 -0.82 -4.75 118.95 122.03 2kj4 s ARG 58 Ca 0.86 -1.96 -0.00 0.00 -1.72 0.00 0.00 55.73 52.91 2kj4 s ARG 58 Cb -0.30 -0.92 0.13 0.00 -0.45 0.00 0.00 34.95 33.41 2kj4 s ARG 58 CO 0.34 -0.21 0.19 1.21 -0.68 0.00 0.00 175.30 176.16 2kj4 s ASN 59 N -3.52 3.33 -0.12 0.23 3.84 -1.26 -1.96 114.94 115.48 2kj4 s ASN 59 Ca 0.35 -2.07 -0.07 0.00 0.21 0.00 0.00 52.86 51.28 2kj4 s ASN 59 Cb 0.08 -0.58 -0.26 0.00 -0.55 0.00 0.00 41.25 39.94 2kj4 s ASN 59 CO 0.15 -0.33 0.36 -0.81 -2.79 0.00 0.00 177.10 173.68 2kj4 n PRO 60 N 4.22 0.76 -0.04 0.43 -0.04 -1.26 -4.07 135.00 135.00 2kj4 n PRO 60 Ca 0.07 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2kj4 n PRO 60 Cb 0.38 -1.71 0.43 0.00 -0.04 0.00 0.00 33.50 32.56 2kj4 n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kj4 n ASP 61 N -3.48 1.74 -2.78 3.54 5.68 -1.26 -4.93 116.55 115.05 2kj4 n ASP 61 Ca -0.32 -1.63 -0.11 0.00 -0.50 0.00 0.00 54.79 52.23 2kj4 n ASP 61 Cb 1.05 -0.05 0.05 0.00 -1.14 0.00 0.00 41.12 41.02 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 0.36 -1.63 -1.80 0.11 3.00 -1.26 -5.04 116.66 110.40 2kj4 n ARG 62 Ca 0.18 0.67 -0.29 0.00 -0.01 0.00 0.00 57.85 58.39 2kj4 n ARG 62 Cb 0.37 -4.70 0.21 0.00 0.00 0.00 0.00 32.46 28.34 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 -2.72 -0.11 0.20 0.55 -0.08 -1.26 -4.95 116.55 108.18 2kj4 n ASP 63 Ca -0.05 -1.45 0.14 0.00 -1.51 0.00 0.00 54.79 51.93 2kj4 n ASP 63 Cb 0.58 -1.01 0.52 0.00 2.34 0.00 0.00 41.12 43.55 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 3.38 -1.96 -3.44 115.31 103.62 2kj4 h LEU 64 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2kj4 h LEU 64 Cb 1.18 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.72 2kj4 h LEU 64 CO 0.30 0.00 0.26 -0.60 0.09 0.00 0.00 178.44 178.49 2kj4 s ARG 65 N -3.42 0.85 0.76 1.13 3.52 -1.26 -5.02 118.95 115.51 2kj4 s ARG 65 Ca 0.04 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 55.99 2kj4 s ARG 65 Cb 0.09 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 2kj4 s ARG 65 CO 0.52 -0.20 0.57 -2.30 -0.81 0.00 0.00 175.30 173.08 2kj4 n PRO 66 N 1.59 0.22 -2.83 5.12 -0.02 -1.26 -4.82 135.00 133.00 2kj4 n PRO 66 Ca -0.15 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.38 2kj4 n PRO 66 Cb 0.56 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.62 -1.59 -3.53 6.00 4.27 -0.83 -1.19 117.44 117.96 2kj4 n TRP 67 Ca 0.10 -1.25 -0.10 0.00 -3.89 0.00 0.00 57.50 52.35 2kj4 n TRP 67 Cb 0.50 0.50 -0.02 0.00 -1.36 0.00 0.00 31.31 30.93 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 -3.70 3.40 0.07 0.00 0.08 -1.26 -0.37 117.98 116.20 2kj4 s PHE 69 Ca 0.04 1.30 -0.08 0.00 0.12 0.00 0.00 56.93 58.30 2kj4 s PHE 69 Cb -0.02 -2.59 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 2kj4 s PHE 69 CO -0.08 0.10 0.36 0.99 -0.10 0.00 0.00 175.22 176.49 2kj4 s THR 70 N -1.95 5.16 -1.47 0.64 2.01 -0.29 0.26 115.64 120.00 2kj4 s THR 70 Ca 0.54 0.31 0.29 0.00 0.31 0.00 0.00 61.69 63.14 2kj4 s THR 70 Cb -0.11 -3.62 0.43 0.00 0.01 0.00 0.00 72.50 69.21 2kj4 s THR 70 CO 0.17 0.27 1.90 0.41 -0.69 0.00 0.00 174.62 176.69 2kj4 n THR 71 N 0.85 0.00 -2.60 -0.82 -1.04 -0.63 -4.57 114.28 105.47 2kj4 n THR 71 Ca -0.08 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.48 2kj4 n THR 71 Cb 0.52 -0.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kj4 s ASP 72 N -2.59 7.21 0.47 8.00 -1.08 -1.26 -4.75 116.67 122.67 2kj4 s ASP 72 Ca 0.26 1.70 0.17 0.00 -0.52 0.00 0.00 52.55 54.16 2kj4 s ASP 72 Cb 0.20 -2.56 1.16 0.00 -1.46 0.00 0.00 42.92 40.26 2kj4 s ASP 72 CO 0.49 -0.44 2.02 1.55 0.52 0.00 0.00 175.17 179.31 2kj4 h PRO 73 N 7.07 0.23 0.21 4.34 0.13 -2.00 -2.39 132.00 139.60 2kj4 h PRO 73 Ca -0.36 -0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.44 2kj4 h PRO 73 Cb 1.18 -0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.28 2kj4 h PRO 73 CO 0.83 0.15 -1.42 -0.97 -0.23 0.00 0.00 178.00 176.36 2kj4 h ASN 74 N 0.24 0.70 -3.63 1.44 -0.73 -1.96 -3.43 115.58 108.20 2kj4 h ASN 74 Ca 0.22 -0.76 -0.65 0.00 1.87 0.00 0.00 56.30 56.97 2kj4 h ASN 74 Cb 0.55 -0.23 -0.16 0.00 0.27 0.00 0.00 38.32 38.75 2kj4 h ASN 74 CO -0.04 1.60 -0.17 -0.75 -0.37 0.00 0.00 177.43 177.70 2kj4 s LYS 75 N -2.62 3.61 -0.04 6.67 2.20 -0.90 -4.94 119.74 123.73 2kj4 s LYS 75 Ca -0.08 -0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.04 2kj4 s LYS 75 Cb 0.05 -3.80 -0.16 0.00 -1.51 0.00 0.00 37.83 32.41 2kj4 s LYS 75 CO 0.92 -0.57 0.97 -0.09 -0.36 0.00 0.00 175.35 176.22 2kj4 h ARG 76 N 8.45 -0.23 -4.93 4.03 2.43 -1.84 -3.36 114.38 118.93 2kj4 h ARG 76 Ca -0.29 0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.58 2kj4 h ARG 76 Cb 1.13 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 30.59 2kj4 h ARG 76 CO 0.73 0.18 -0.68 1.67 -1.51 0.00 0.00 179.97 180.37 2kj4 s TRP 77 N -3.72 1.29 0.03 2.20 1.48 -1.26 -1.14 118.94 117.81 2kj4 s TRP 77 Ca -0.13 -0.92 0.01 0.00 -1.06 0.00 0.00 56.10 53.99 2kj4 s TRP 77 Cb 0.01 -0.72 -0.02 0.00 -1.16 0.00 0.00 33.47 31.57 2kj4 s TRP 77 CO 0.50 -0.09 -0.05 -2.00 -4.06 0.00 0.00 176.95 171.26 2kj4 s GLU 78 N -3.85 0.41 0.48 3.25 -6.30 0.50 -4.74 118.70 108.45 2kj4 s GLU 78 Ca 0.22 -0.72 -0.08 0.00 -2.50 0.00 0.00 54.97 51.90 2kj4 s GLU 78 Cb 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 34.13 34.11 2kj4 s GLU 78 CO 0.04 -0.02 0.82 0.71 0.02 0.00 0.00 175.26 176.83 2kj4 s TYR 79 N -1.64 3.54 -0.16 5.30 2.02 -1.26 -0.97 117.35 124.18 2kj4 s TYR 79 Ca -0.12 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.55 2kj4 s TYR 79 Cb -0.09 -2.42 -0.01 0.00 -0.40 0.00 0.00 41.96 39.05 2kj4 s TYR 79 CO -0.01 -0.28 -0.13 0.00 -1.57 0.00 0.00 175.55 173.56 2kj4 s ASP 81 N 0.76 6.72 -0.12 0.00 2.15 -1.26 -4.58 116.67 120.34 2kj4 s ASP 81 Ca -0.05 -2.23 -0.04 0.00 0.43 0.00 0.00 52.55 50.66 2kj4 s ASP 81 Cb -0.15 -2.41 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 2kj4 s ASP 81 CO 0.01 -1.01 0.02 -0.63 -0.17 0.00 0.00 175.17 173.39 2kj4 s ILE 82 N 2.55 4.49 1.07 4.11 1.01 -1.26 -4.93 121.20 128.25 2kj4 s ILE 82 Ca 0.36 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 2kj4 s ILE 82 Cb -0.04 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.53 2kj4 s ILE 82 CO -0.07 0.56 -0.20 -2.65 0.00 0.00 0.00 174.94 172.57 2kj4 n PRO 83 N 2.61 -1.12 -5.07 2.79 -0.02 -1.25 -4.71 135.00 128.23 2kj4 n PRO 83 Ca -0.18 -0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 60.69 2kj4 n PRO 83 Cb 0.53 -1.59 -0.17 0.00 -0.02 0.00 0.00 33.50 32.25 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 -3.20 2.71 0.41 -0.52 0.52 -1.26 0.90 118.95 118.51 2kj4 s ARG 84 Ca 0.53 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2kj4 s ARG 84 Cb -0.10 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2kj4 s ARG 84 CO 0.67 0.15 0.62 0.00 0.02 0.00 0.00 175.30 176.76 2kj4 h ALA 86 N 0.54 1.61 0.00 0.00 0.00 -2.00 -3.46 119.26 115.95 2kj4 h ALA 86 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2kj4 h ALA 86 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kj4 h ALA 86 CO 0.57 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.11