#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 0.00-12.50 -4.06 -0.72 0.31 -1.26 -4.52 118.33 95.58 2kj4 n VAL 2 Ca 0.00 2.28 -0.03 0.00 -0.01 0.00 0.00 64.34 66.58 2kj4 n VAL 2 Cb 0.00 -6.79 -0.01 0.00 -0.91 0.00 0.00 33.84 26.13 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 1.15 0.31 0.30 5.55 1.02 -0.86 -4.77 120.64 123.35 2kj4 n GLU 3 Ca -0.19 -0.54 0.18 0.00 -0.02 0.00 0.00 57.16 56.59 2kj4 n GLU 3 Cb 0.29 0.40 0.94 0.00 -0.02 0.00 0.00 31.44 33.05 2kj4 n GLU 3 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kj4 h PHE 4 N 1.15 0.00 0.00 -0.32 -0.00 -2.00 -1.21 116.94 114.56 2kj4 h PHE 4 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.93 2kj4 h PHE 4 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.14 2kj4 h PHE 4 CO 0.00 0.03 -0.79 0.43 -0.00 0.00 0.00 178.31 177.99 2kj4 n SER 5 N -3.31 0.68 -3.61 -0.68 7.64 -1.26 -4.83 113.62 108.25 2kj4 n SER 5 Ca -0.02 0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.63 2kj4 n SER 5 Cb 0.17 0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.19 0.13 -0.54 1.43 2.12 -0.46 -5.03 118.70 113.16 2kj4 s GLU 6 Ca 0.05 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.22 2kj4 s GLU 6 Cb 0.13 -1.73 0.15 0.00 0.26 0.00 0.00 34.13 32.95 2kj4 s GLU 6 CO 0.75 -0.73 0.34 -1.21 -0.54 0.00 0.00 175.26 173.87 2kj4 s GLU 7 N 2.11 1.74 0.33 4.30 2.02 -1.26 -2.02 118.70 125.92 2kj4 s GLU 7 Ca 0.03 -2.57 -0.15 0.00 0.02 0.00 0.00 54.97 52.30 2kj4 s GLU 7 Cb -0.16 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.36 2kj4 s GLU 7 CO -0.14 -1.23 0.67 0.00 0.02 0.00 0.00 175.26 174.59 2kj4 s MET 9 N -3.16 4.02 -0.24 0.00 0.23 0.66 -4.81 119.30 115.99 2kj4 s MET 9 Ca 0.17 0.25 -0.21 0.00 -1.03 0.00 0.00 55.69 54.88 2kj4 s MET 9 Cb -0.04 -3.67 -0.02 0.00 -1.53 0.00 0.00 34.83 29.57 2kj4 s MET 9 CO 0.11 -0.38 0.64 -1.58 -2.03 0.00 0.00 175.02 171.78 2kj4 s HIS 10 N 2.31 3.30 0.00 3.16 5.04 -1.26 -4.58 115.29 123.26 2kj4 s HIS 10 Ca 0.21 0.85 0.00 0.00 -1.54 0.00 0.00 55.06 54.58 2kj4 s HIS 10 Cb -0.16 -2.84 0.00 0.00 0.04 0.00 0.00 32.58 29.62 2kj4 s HIS 10 CO 0.10 -0.31 0.00 0.41 -2.34 0.00 0.00 174.74 172.60 2kj4 n GLY 11 N 4.08 1.67 0.14 1.59 0.00 -1.26 -1.91 105.19 109.49 2kj4 n GLY 11 Ca -0.00 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 5.08 0.47 0.00 1.61 7.64 -1.26 -4.84 113.62 122.32 2kj4 n SER 12 Ca 0.00 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.06 2kj4 n SER 12 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.18 0.59 0.32 0.23 0.00 -0.80 -4.11 105.19 102.60 2kj4 n GLY 13 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 3.72 0.66 -0.16 1.61 5.08 -1.68 -0.96 114.58 122.84 2kj4 h GLU 14 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kj4 h GLU 14 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2kj4 h GLU 14 CO 0.00 0.45 0.00 -1.71 -1.00 0.00 0.00 179.01 176.75 2kj4 n ASN 15 N -4.44 2.06 -4.55 1.42 2.85 -1.24 -4.60 115.26 106.75 2kj4 n ASN 15 Ca 0.04 -1.74 -0.42 0.00 -0.11 0.00 0.00 54.58 52.35 2kj4 n ASN 15 Cb 0.07 -0.10 -0.03 0.00 1.24 0.00 0.00 39.78 40.96 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2kj4 s TYR 16 N -1.80 2.54 -0.63 1.20 5.04 -0.37 -4.39 117.35 118.94 2kj4 s TYR 16 Ca 0.34 0.14 0.05 0.00 -2.44 0.00 0.00 57.07 55.17 2kj4 s TYR 16 Cb 0.19 -4.46 0.29 0.00 0.35 0.00 0.00 41.96 38.33 2kj4 s TYR 16 CO 0.29 -1.70 0.87 -3.47 -1.34 0.00 0.00 175.55 170.20 2kj4 n ASP 17 N 8.51 4.21 -4.75 4.32 2.03 -1.26 -4.61 116.55 124.99 2kj4 n ASP 17 Ca 0.05 -3.55 -0.23 0.00 0.52 0.00 0.00 54.79 51.57 2kj4 n ASP 17 Cb 0.48 -0.65 0.09 0.00 -0.72 0.00 0.00 41.12 40.33 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 -2.86 1.77 -0.19 0.27 0.00 -1.26 -4.86 107.32 100.18 2kj4 s GLY 18 Ca 0.44 -1.60 0.16 0.00 0.00 0.00 0.00 44.72 43.71 2kj4 s GLY 18 CO -0.06 -1.10 1.54 0.58 0.00 0.00 0.00 173.10 174.06 2kj4 n LYS 19 N -2.74 3.65 -2.33 2.90 0.00 -1.26 -4.56 118.16 113.82 2kj4 n LYS 19 Ca 0.13 -2.94 -0.40 0.00 -0.00 0.00 0.00 58.31 55.10 2kj4 n LYS 19 Cb 0.60 -1.98 -0.03 0.00 -0.00 0.00 0.00 35.03 33.62 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2kj4 s ILE 20 N -2.73 3.20 -0.03 0.58 2.07 -1.26 -4.94 121.20 118.09 2kj4 s ILE 20 Ca 0.46 1.16 0.08 0.00 -1.41 0.00 0.00 60.65 60.94 2kj4 s ILE 20 Cb 0.36 -3.72 0.13 0.00 0.13 0.00 0.00 42.46 39.37 2kj4 s ILE 20 CO 0.12 0.24 1.06 -1.54 -1.91 0.00 0.00 174.94 172.91 2kj4 n SER 21 N 0.81 0.62 -4.29 4.50 3.41 -1.26 -2.07 113.62 115.34 2kj4 n SER 21 Ca 0.00 -2.26 -0.26 0.00 -0.26 0.00 0.00 58.87 56.10 2kj4 n SER 21 Cb 0.44 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.61 1.36 0.56 4.33 1.02 -1.25 -0.28 119.74 124.87 2kj4 s LYS 22 Ca 0.12 -1.07 -0.08 0.00 0.02 0.00 0.00 55.97 54.97 2kj4 s LYS 22 Cb 0.12 -1.56 0.13 0.00 -0.52 0.00 0.00 37.83 36.00 2kj4 s LYS 22 CO -0.02 0.39 0.77 0.25 -0.92 0.00 0.00 175.35 175.81 2kj4 n THR 23 N 1.52 0.00 0.26 2.17 -2.24 0.09 -4.60 114.28 111.48 2kj4 n THR 23 Ca -0.18 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.06 2kj4 n THR 23 Cb 0.53 -1.57 0.69 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.24 0.06 114.93 112.97 2kj4 h MET 24 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.45 2kj4 h MET 24 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 2kj4 h MET 24 CO 0.19 0.13 -0.48 0.43 -0.00 0.00 0.00 176.91 177.19 2kj4 n SER 25 N -3.55 0.48 0.00 -0.10 7.64 -1.26 -4.92 113.62 111.90 2kj4 n SER 25 Ca -0.01 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2kj4 n SER 25 Cb 0.27 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 1.50 0.73 3.85 0.23 0.00 0.01 -5.07 105.19 106.44 2kj4 n GLY 26 Ca 0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 2.88 0.28 0.99 1.02 -1.26 -4.56 118.68 118.03 2kj4 s LEU 27 Ca 0.00 1.28 -0.25 0.00 0.02 0.00 0.00 54.13 55.18 2kj4 s LEU 27 Cb 0.00 -4.06 -0.09 0.00 0.02 0.00 0.00 46.19 42.06 2kj4 s LEU 27 CO 0.00 -1.48 0.88 -0.70 0.02 0.00 0.00 176.35 175.07 2kj4 s GLU 28 N -5.24 4.54 0.24 1.70 2.56 -1.26 -0.73 118.70 120.51 2kj4 s GLU 28 Ca 0.59 1.23 -0.11 0.00 0.00 0.00 0.00 54.97 56.67 2kj4 s GLU 28 Cb -0.12 -2.90 -0.07 0.00 2.00 0.00 0.00 34.13 33.03 2kj4 s GLU 28 CO 0.53 0.35 0.58 0.00 -0.56 0.00 0.00 175.26 176.17 2kj4 s GLN 30 N -2.74 4.41 0.27 0.00 0.74 0.90 -4.66 119.66 118.58 2kj4 s GLN 30 Ca 0.47 0.82 -0.30 0.00 0.05 0.00 0.00 55.36 56.40 2kj4 s GLN 30 Cb -0.11 -3.41 -0.11 0.00 1.10 0.00 0.00 33.01 30.47 2kj4 s GLN 30 CO 0.20 0.17 1.60 0.00 -0.55 0.00 0.00 175.29 176.72 2kj4 s ALA 31 N 0.44 3.78 0.58 1.58 0.00 -1.26 -4.48 121.76 122.39 2kj4 s ALA 31 Ca 0.35 1.55 0.27 0.00 0.00 0.00 0.00 51.96 54.13 2kj4 s ALA 31 Cb -0.18 -3.65 1.71 0.00 0.00 0.00 0.00 23.12 21.00 2kj4 s ALA 31 CO 0.18 -0.94 2.22 -1.49 0.00 0.00 0.00 175.76 175.72 2kj4 h TRP 32 N 5.33 0.00 -0.00 0.00 4.06 -1.23 -0.56 115.95 123.55 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 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2kj4 h TRP 32 CO 0.60 0.00 -0.50 -0.40 -3.56 0.00 0.00 178.44 174.58 2kj4 n ASP 33 N -3.96 0.86 -4.80 -3.49 5.68 -1.26 -4.50 116.55 105.07 2kj4 n ASP 33 Ca -0.02 -0.66 -0.36 0.00 -0.50 0.00 0.00 54.79 53.25 2kj4 n ASP 33 Cb 0.12 0.35 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2kj4 s SER 34 N -2.81 6.25 -0.12 -1.12 0.15 -0.22 -4.95 113.70 110.88 2kj4 s SER 34 Ca 0.15 0.34 0.11 0.00 0.70 0.00 0.00 55.95 57.25 2kj4 s SER 34 Cb 0.18 -2.06 0.52 0.00 -1.71 0.00 0.00 66.02 62.95 2kj4 s SER 34 CO 0.66 0.30 1.33 0.00 1.20 0.00 0.00 173.24 176.73 2kj4 n GLN 35 N 2.71 3.24 -3.88 5.44 1.13 -1.26 -4.71 117.38 120.05 2kj4 n GLN 35 Ca -0.18 -2.00 -0.35 0.00 -1.94 0.00 0.00 57.00 52.52 2kj4 n GLN 35 Cb 0.54 -1.86 -0.14 0.00 0.11 0.00 0.00 30.24 28.89 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 -0.63 4.54 0.02 1.08 0.01 -1.26 -2.85 113.70 114.61 2kj4 s SER 36 Ca 0.35 -0.58 0.22 0.00 1.31 0.00 0.00 55.95 57.25 2kj4 s SER 36 Cb 0.25 -1.76 -0.23 0.00 0.21 0.00 0.00 66.02 64.49 2kj4 s SER 36 CO 0.13 -0.09 0.67 -0.81 0.41 0.00 0.00 173.24 173.56 2kj4 n PRO 37 N 4.79 0.54 -3.39 12.44 -0.04 -1.26 -4.65 135.00 143.42 2kj4 n PRO 37 Ca -0.17 -0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 62.81 2kj4 n PRO 37 Cb 0.49 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.41 3.46 -0.46 0.54 3.76 -1.13 -5.03 115.29 113.02 2kj4 s HIS 38 Ca -0.04 0.73 -0.28 0.00 -0.15 0.00 0.00 55.06 55.32 2kj4 s HIS 38 Cb 0.14 -2.49 0.03 0.00 1.11 0.00 0.00 32.58 31.37 2kj4 s HIS 38 CO 0.87 0.14 1.08 0.00 -0.85 0.00 0.00 174.74 175.98 2kj4 s ALA 39 N 0.77 3.20 0.07 -1.40 0.00 -1.23 -4.39 121.76 118.78 2kj4 s ALA 39 Ca 0.21 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2kj4 s ALA 39 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 2kj4 s ALA 39 CO 0.08 -2.15 -0.08 -3.38 0.00 0.00 0.00 175.76 170.22 2kj4 s HIS 40 N 4.22 0.82 -0.52 0.00 -3.43 -1.26 -5.04 115.29 110.08 2kj4 s HIS 40 Ca 0.45 -0.62 0.10 0.00 -0.80 0.00 0.00 55.06 54.19 2kj4 s HIS 40 Cb -0.08 -0.48 0.58 0.00 -1.43 0.00 0.00 32.58 31.17 2kj4 s HIS 40 CO 0.29 -0.08 1.39 0.41 -2.00 0.00 0.00 174.74 174.75 2kj4 n GLY 41 N 0.95 2.51 3.26 -1.38 0.00 -1.26 -4.61 105.19 104.66 2kj4 n GLY 41 Ca -0.19 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 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 0.47 4.40 -2.98 1.61 4.02 -1.26 -4.97 117.16 118.44 2kj4 n TYR 42 Ca 0.20 -3.41 -0.41 0.00 -0.01 0.00 0.00 57.90 54.27 2kj4 n TYR 42 Cb 0.91 -1.77 -0.05 0.00 -0.02 0.00 0.00 39.34 38.41 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 -0.70 4.96 0.02 -0.72 -1.09 -1.26 -4.65 121.20 117.75 2kj4 s ILE 43 Ca 0.35 1.49 0.29 0.00 -2.23 0.00 0.00 60.65 60.55 2kj4 s ILE 43 Cb -0.03 -4.07 0.29 0.00 -1.58 0.00 0.00 42.46 37.07 2kj4 s ILE 43 CO -0.01 0.11 1.88 -0.65 -1.23 0.00 0.00 174.94 175.03 2kj4 h PRO 44 N 7.20 0.00 0.00 2.79 0.11 -1.82 -0.66 132.00 139.62 2kj4 h PRO 44 Ca -0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 2kj4 h PRO 44 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2kj4 h PRO 44 CO 0.80 0.00 -0.56 0.77 -0.21 0.00 0.00 178.00 178.79 2kj4 h SER 45 N 0.00 0.00 0.27 -2.05 0.02 -1.93 -2.94 113.55 106.92 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 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2kj4 h SER 45 CO 0.00 0.38 -1.60 2.29 -1.14 0.00 0.00 176.83 176.76 2kj4 n LYS 46 N -3.12 0.56 -3.48 3.45 2.85 -0.32 -4.50 118.16 113.61 2kj4 n LYS 46 Ca 0.01 -0.09 -0.27 0.00 -1.05 0.00 0.00 58.31 56.91 2kj4 n LYS 46 Cb 0.70 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.27 1.60 0.12 5.58 3.72 -0.82 -4.94 117.46 120.44 2kj4 n PHE 47 Ca -0.02 -3.87 -0.20 0.00 -0.05 0.00 0.00 57.45 53.31 2kj4 n PHE 47 Cb 0.53 -0.35 -0.14 0.00 -0.94 0.00 0.00 39.48 38.59 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 4.76 0.44 0.00 -1.08 0.13 -1.74 -3.31 132.00 131.19 2kj4 h PRO 48 Ca 0.17 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2kj4 h PRO 48 Cb 0.79 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kj4 h PRO 48 CO 0.62 1.32 0.00 0.27 -0.23 0.00 0.00 178.00 179.97 2kj4 n ASN 49 N -3.66 0.56 -0.36 1.44 6.94 -1.26 -0.93 115.26 117.99 2kj4 n ASN 49 Ca -0.12 0.70 0.12 0.00 -0.02 0.00 0.00 54.58 55.26 2kj4 n ASN 49 Cb 1.03 -0.79 0.24 0.00 -2.36 0.00 0.00 39.78 37.90 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 -2.19 1.04 -3.71 -3.83 4.76 -1.25 -4.96 118.16 108.04 2kj4 n LYS 50 Ca 0.00 -0.73 -0.23 0.00 -2.87 0.00 0.00 58.31 54.48 2kj4 n LYS 50 Cb 0.12 -1.48 0.03 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 -0.34 -2.13 -4.58 4.39 5.15 -0.11 -4.80 115.26 112.84 2kj4 n ASN 51 Ca 0.12 -0.88 -0.39 0.00 -0.60 0.00 0.00 54.58 52.83 2kj4 n ASN 51 Cb 0.40 -3.86 -0.02 0.00 -0.53 0.00 0.00 39.78 35.77 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 -6.59 3.58 0.17 1.20 2.96 -1.26 -4.93 118.68 113.82 2kj4 s LEU 52 Ca 0.12 -2.05 0.10 0.00 -0.22 0.00 0.00 54.13 52.08 2kj4 s LEU 52 Cb -0.03 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2kj4 s LEU 52 CO 0.83 -1.72 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.39 2kj4 s LYS 53 N 4.97 1.37 3.51 1.98 1.02 -1.26 -4.64 119.74 126.68 2kj4 s LYS 53 Ca 0.57 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2kj4 s LYS 53 Cb 0.02 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 2kj4 s LYS 53 CO 0.06 0.33 0.00 1.63 -0.92 0.00 0.00 175.35 176.45 2kj4 n LYS 54 N 0.34 0.00 -2.30 1.68 4.76 -1.26 -3.23 118.16 118.14 2kj4 n LYS 54 Ca -0.13 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.13 2kj4 n LYS 54 Cb 0.56 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.78 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 -0.35 3.95 -4.84 4.39 6.94 -1.26 -0.71 115.26 123.37 2kj4 n ASN 55 Ca 0.00 -3.29 -0.35 0.00 -0.02 0.00 0.00 54.58 50.92 2kj4 n ASN 55 Cb 0.00 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 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 3.58 -0.24 -2.53 2.02 -1.20 -4.39 117.35 110.97 2kj4 s TYR 56 Ca 0.44 1.13 -0.29 0.00 -0.37 0.00 0.00 57.07 57.98 2kj4 s TYR 56 Cb 0.39 -2.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2kj4 s TYR 56 CO -0.01 0.37 1.64 0.00 -1.57 0.00 0.00 175.55 175.98 2kj4 s ARG 58 N 4.83 1.62 -0.42 0.00 1.81 -0.80 -4.60 118.95 121.39 2kj4 s ARG 58 Ca 0.72 -1.87 0.02 0.00 -1.72 0.00 0.00 55.73 52.89 2kj4 s ARG 58 Cb -0.24 -1.04 0.14 0.00 -0.45 0.00 0.00 34.95 33.36 2kj4 s ARG 58 CO 0.30 -0.08 0.25 1.21 -0.68 0.00 0.00 175.30 176.30 2kj4 s ASN 59 N -3.48 3.31 -0.06 0.23 3.84 -1.24 -1.70 114.94 115.84 2kj4 s ASN 59 Ca 0.33 -2.58 -0.17 0.00 0.21 0.00 0.00 52.86 50.64 2kj4 s ASN 59 Cb 0.07 -0.82 -0.30 0.00 -0.55 0.00 0.00 41.25 39.65 2kj4 s ASN 59 CO 0.14 -0.26 0.73 1.55 -2.79 0.00 0.00 177.10 176.47 2kj4 h PRO 60 N 6.67 0.31 -0.96 0.43 0.13 -1.89 -3.33 132.00 133.36 2kj4 h PRO 60 Ca 0.04 -0.53 0.18 0.00 -0.87 0.00 0.00 66.00 64.82 2kj4 h PRO 60 Cb 0.93 0.20 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 2kj4 h PRO 60 CO 0.42 1.26 0.61 -0.44 -0.23 0.00 0.00 178.00 179.61 2kj4 h ASP 61 N -0.24 0.67 -1.27 1.44 5.19 -1.99 -3.45 116.42 116.76 2kj4 h ASP 61 Ca -0.25 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2kj4 h ASP 61 Cb 1.80 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.26 2kj4 h ASP 61 CO 0.13 0.27 0.00 0.54 -3.12 0.00 0.00 179.24 177.06 2kj4 n ARG 62 N -4.64 0.00 -0.72 3.56 1.74 -1.26 -5.10 116.66 110.24 2kj4 n ARG 62 Ca 0.21 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.14 2kj4 n ARG 62 Cb 0.58 -2.22 0.12 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.36 -0.81 -0.14 0.55 -0.08 -1.26 -4.96 116.55 110.21 2kj4 n ASP 63 Ca 0.00 -1.02 -0.11 0.00 -1.51 0.00 0.00 54.79 52.15 2kj4 n ASP 63 Cb 0.44 -0.51 -0.02 0.00 2.34 0.00 0.00 41.12 43.38 2kj4 n ASP 63 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2kj4 h LEU 64 N 0.00 0.78 -7.21 -2.67 5.85 -1.99 -3.46 115.31 106.61 2kj4 h LEU 64 Ca -0.21 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 2kj4 h LEU 64 Cb 0.61 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.30 2kj4 h LEU 64 CO 0.14 0.96 0.06 0.00 -0.34 0.00 0.00 178.44 179.26 2kj4 s ARG 65 N -4.78 1.16 0.75 1.25 1.70 -1.26 -4.89 118.95 112.88 2kj4 s ARG 65 Ca -0.12 -0.59 -0.15 0.00 -0.47 0.00 0.00 55.73 54.40 2kj4 s ARG 65 Cb 0.10 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 35.03 2kj4 s ARG 65 CO 0.82 -0.48 0.94 -2.30 -1.08 0.00 0.00 175.30 173.20 2kj4 n PRO 66 N -0.28 0.37 -3.08 3.89 -0.02 -1.26 -4.86 135.00 129.77 2kj4 n PRO 66 Ca -0.17 0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 2kj4 n PRO 66 Cb 0.64 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.73 -1.16 -3.52 6.00 4.27 -0.69 -1.66 117.44 117.95 2kj4 n TRP 67 Ca 0.12 -1.47 -0.15 0.00 -3.89 0.00 0.00 57.50 52.11 2kj4 n TRP 67 Cb 0.50 0.38 -0.05 0.00 -1.36 0.00 0.00 31.31 30.77 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 -2.16 3.42 0.35 0.00 0.08 -1.26 -2.29 117.98 116.12 2kj4 s PHE 69 Ca -0.07 1.68 -0.09 0.00 0.12 0.00 0.00 56.93 58.57 2kj4 s PHE 69 Cb -0.01 -2.95 -0.06 0.00 -0.57 0.00 0.00 43.02 39.43 2kj4 s PHE 69 CO 0.01 -0.16 0.68 0.95 -0.10 0.00 0.00 175.22 176.61 2kj4 s THR 70 N -1.84 4.86 -0.75 0.64 -4.23 -1.18 -0.07 115.64 113.07 2kj4 s THR 70 Ca 0.57 0.46 0.26 0.00 -1.18 0.00 0.00 61.69 61.80 2kj4 s THR 70 Cb -0.16 -3.71 0.28 0.00 1.34 0.00 0.00 72.50 70.25 2kj4 s THR 70 CO 0.21 -0.39 1.78 0.35 -0.54 0.00 0.00 174.62 176.03 2kj4 n THR 71 N -1.01 0.56 -2.83 3.99 -2.24 -0.08 -4.28 114.28 108.39 2kj4 n THR 71 Ca 0.01 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 2kj4 n THR 71 Cb 0.54 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kj4 s ASP 72 N -4.45 7.23 0.50 3.42 2.15 -1.26 -4.66 116.67 119.60 2kj4 s ASP 72 Ca 0.11 1.49 0.29 0.00 0.43 0.00 0.00 52.55 54.87 2kj4 s ASP 72 Cb 0.13 -2.51 0.95 0.00 -0.30 0.00 0.00 42.92 41.19 2kj4 s ASP 72 CO 0.59 -0.21 1.83 1.55 -0.17 0.00 0.00 175.17 178.77 2kj4 h PRO 73 N 6.79 0.00 -0.12 4.34 0.13 -1.96 -3.27 132.00 137.92 2kj4 h PRO 73 Ca -0.41 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.63 2kj4 h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kj4 h PRO 73 CO 0.75 0.01 -0.31 -0.97 -0.23 0.00 0.00 178.00 177.25 2kj4 h ASN 74 N 0.00 0.47 -3.57 1.44 -0.00 -1.97 -3.40 115.58 108.56 2kj4 h ASN 74 Ca -0.00 -0.59 -0.52 0.00 -0.00 0.00 0.00 56.30 55.19 2kj4 h ASN 74 Cb 0.71 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.87 2kj4 h ASN 74 CO 0.00 0.97 0.29 -0.54 -0.00 0.00 0.00 177.43 178.16 2kj4 s LYS 75 N -3.88 4.67 -0.01 6.67 -0.14 -1.23 -4.91 119.74 120.91 2kj4 s LYS 75 Ca -0.14 1.34 -0.05 0.00 -1.36 0.00 0.00 55.97 55.76 2kj4 s LYS 75 Cb 0.05 -3.34 -0.28 0.00 -1.68 0.00 0.00 37.83 32.57 2kj4 s LYS 75 CO 0.78 0.34 0.83 -0.09 -0.76 0.00 0.00 175.35 176.45 2kj4 h ARG 76 N 5.15 0.29 -2.49 1.68 2.43 -1.80 -3.43 114.38 116.20 2kj4 h ARG 76 Ca -0.44 -0.49 0.15 0.00 -0.81 0.00 0.00 59.98 58.39 2kj4 h ARG 76 Cb 1.21 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.86 2kj4 h ARG 76 CO 0.70 1.16 0.43 1.67 -1.51 0.00 0.00 179.97 182.42 2kj4 s TRP 77 N -2.61 -0.15 0.05 2.20 1.48 -1.26 -3.10 118.94 115.55 2kj4 s TRP 77 Ca -0.10 -0.18 -0.13 0.00 -1.06 0.00 0.00 56.10 54.63 2kj4 s TRP 77 Cb 0.06 0.65 0.02 0.00 -1.16 0.00 0.00 33.47 33.04 2kj4 s TRP 77 CO 0.86 -0.91 0.29 -1.21 -4.06 0.00 0.00 176.95 171.92 2kj4 s GLU 78 N -3.42 0.82 0.69 3.25 2.02 -0.97 -4.87 118.70 116.22 2kj4 s GLU 78 Ca 0.12 -0.56 -0.14 0.00 0.02 0.00 0.00 54.97 54.40 2kj4 s GLU 78 Cb -0.02 0.35 0.02 0.00 0.10 0.00 0.00 34.13 34.57 2kj4 s GLU 78 CO 0.03 -0.27 1.11 0.71 0.02 0.00 0.00 175.26 176.87 2kj4 s TYR 79 N -2.74 2.55 -0.03 1.61 2.02 -1.26 -2.01 117.35 117.49 2kj4 s TYR 79 Ca -0.04 1.56 -0.00 0.00 -0.37 0.00 0.00 57.07 58.22 2kj4 s TYR 79 Cb -0.00 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.35 2kj4 s TYR 79 CO -0.05 -1.80 0.02 0.00 -1.57 0.00 0.00 175.55 172.16 2kj4 s ASP 81 N -1.38 6.80 -0.05 0.00 -1.08 -1.26 -4.73 116.67 114.97 2kj4 s ASP 81 Ca 0.18 -2.55 -0.22 0.00 -0.52 0.00 0.00 52.55 49.44 2kj4 s ASP 81 Cb -0.12 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2kj4 s ASP 81 CO 0.08 -0.77 0.63 -0.63 0.52 0.00 0.00 175.17 175.01 2kj4 s ILE 82 N 1.23 5.02 0.10 4.11 -1.09 -1.26 -4.98 121.20 124.33 2kj4 s ILE 82 Ca 0.28 1.30 -0.35 0.00 -2.23 0.00 0.00 60.65 59.66 2kj4 s ILE 82 Cb -0.07 -3.97 -0.18 0.00 -1.58 0.00 0.00 42.46 36.66 2kj4 s ILE 82 CO -0.08 0.32 0.92 -2.65 -1.23 0.00 0.00 174.94 172.22 2kj4 n PRO 83 N 3.43 0.24 -5.02 2.79 -0.02 -1.26 -4.84 135.00 130.32 2kj4 n PRO 83 Ca -0.04 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 2kj4 n PRO 83 Cb 0.51 -1.43 -0.15 0.00 -0.02 0.00 0.00 33.50 32.41 2kj4 n PRO 83 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2kj4 s ARG 84 N -0.37 1.78 -0.34 -0.52 1.70 -1.26 -0.25 118.95 119.68 2kj4 s ARG 84 Ca 0.79 -0.89 -0.25 0.00 -0.47 0.00 0.00 55.73 54.91 2kj4 s ARG 84 Cb -1.08 -1.79 0.01 0.00 -0.57 0.00 0.00 34.95 31.52 2kj4 s ARG 84 CO 0.56 0.48 0.87 0.00 -1.08 0.00 0.00 175.30 176.13 2kj4 n ALA 86 N 6.55 2.00 -0.04 0.00 0.00 -1.26 -5.02 120.51 122.74 2kj4 n ALA 86 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kj4 n ALA 86 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50