#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 s SER 2 N 0.00 6.82 0.62 1.61 0.15 -1.26 -5.05 113.70 116.59 2dk6 s SER 2 Ca 0.00 -2.99 -0.17 0.00 0.70 0.00 0.00 55.95 53.49 2dk6 s SER 2 Cb 0.00 -2.18 -0.07 0.00 -1.71 0.00 0.00 66.02 62.06 2dk6 s SER 2 CO 0.00 -0.47 0.53 -1.20 1.20 0.00 0.00 173.24 173.30 2dk6 n SER 3 N 3.54 -1.07 0.00 5.45 7.64 -1.26 -4.23 113.62 123.69 2dk6 n SER 3 Ca 0.17 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.73 2dk6 n SER 3 Cb 0.44 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2dk6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk6 n GLY 4 N 1.74 0.98 3.28 0.23 0.00 -1.26 -4.97 105.19 105.19 2dk6 n GLY 4 Ca 0.11 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 2dk6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk6 s SER 5 N -4.00 1.43 -0.23 1.61 0.15 -1.26 -5.15 113.70 106.26 2dk6 s SER 5 Ca 0.00 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.98 2dk6 s SER 5 Cb 0.00 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.88 2dk6 s SER 5 CO 0.00 -1.00 -0.05 -0.44 1.20 0.00 0.00 173.24 172.95 2dk6 s SER 6 N -3.34 3.72 0.00 5.45 0.01 -1.26 -4.98 113.70 113.30 2dk6 s SER 6 Ca 0.39 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2dk6 s SER 6 Cb 0.03 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2dk6 s SER 6 CO 0.23 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2dk6 n GLY 7 N 4.70 1.77 2.69 3.44 0.00 -1.26 -4.73 105.19 111.80 2dk6 n GLY 7 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dk6 n ASN 8 N -0.26 -3.09 -4.47 1.61 4.13 -1.26 -4.79 115.26 107.13 2dk6 n ASN 8 Ca 0.00 0.54 -0.36 0.00 1.68 0.00 0.00 54.58 56.44 2dk6 n ASN 8 Cb 0.00 -0.70 0.07 0.00 -1.54 0.00 0.00 39.78 37.61 2dk6 n ASN 8 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2dk6 n GLU 9 N 1.27 0.31 0.19 3.52 0.00 -1.26 -4.87 120.64 119.80 2dk6 n GLU 9 Ca 0.06 0.14 0.04 0.00 0.00 0.00 0.00 57.16 57.41 2dk6 n GLU 9 Cb 0.39 -1.84 0.39 0.00 0.00 0.00 0.00 31.44 30.38 2dk6 n GLU 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2dk6 h VAL 10 N -0.36 1.12 -2.68 3.84 3.04 -1.95 -3.47 116.25 115.79 2dk6 h VAL 10 Ca -0.46 -1.27 0.10 0.00 -1.01 0.00 0.00 66.70 64.06 2dk6 h VAL 10 Cb 1.35 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 32.31 2dk6 h VAL 10 CO 0.43 0.35 0.46 -0.62 -1.01 0.00 0.00 177.57 177.18 2dk6 s ASP 11 N -6.74 -0.03 -0.43 3.17 2.15 -1.26 -4.98 116.67 108.56 2dk6 s ASP 11 Ca -0.02 -0.79 0.04 0.00 0.43 0.00 0.00 52.55 52.21 2dk6 s ASP 11 Cb 0.14 0.62 0.44 0.00 -0.30 0.00 0.00 42.92 43.82 2dk6 s ASP 11 CO 0.70 -1.22 1.38 0.47 -0.17 0.00 0.00 175.17 176.33 2dk6 n ASP 12 N -1.17 5.54 -4.24 -0.34 9.92 -1.26 -5.00 116.55 120.01 2dk6 n ASP 12 Ca -0.05 -3.76 -0.32 0.00 -0.53 0.00 0.00 54.79 50.13 2dk6 n ASP 12 Cb 0.60 -0.53 -0.17 0.00 -0.64 0.00 0.00 41.12 40.38 2dk6 n ASP 12 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2dk6 s MET 13 N -3.66 3.09 0.04 -1.24 1.75 -1.26 -5.09 119.30 112.93 2dk6 s MET 13 Ca 0.53 -0.85 -0.30 0.00 -1.25 0.00 0.00 55.69 53.81 2dk6 s MET 13 Cb 0.43 -2.35 -0.08 0.00 2.84 0.00 0.00 34.83 35.67 2dk6 s MET 13 CO -0.05 0.17 1.70 -0.51 -0.65 0.00 0.00 175.02 175.68 2dk6 s ASP 14 N 0.37 6.59 0.04 1.11 1.11 -1.26 -4.99 116.67 119.64 2dk6 s ASP 14 Ca -0.17 2.46 0.03 0.00 0.18 0.00 0.00 52.55 55.04 2dk6 s ASP 14 Cb -0.18 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.24 2dk6 s ASP 14 CO 0.08 -0.92 -0.08 0.42 1.18 0.00 0.00 175.17 175.84 2dk6 s THR 15 N 3.24 0.61 -0.32 -1.27 -4.23 -1.26 -5.06 115.64 107.34 2dk6 s THR 15 Ca 0.76 -1.07 0.11 0.00 -1.18 0.00 0.00 61.69 60.31 2dk6 s THR 15 Cb -0.39 -0.65 0.46 0.00 1.34 0.00 0.00 72.50 73.26 2dk6 s THR 15 CO 0.33 -0.34 1.13 -0.24 -0.54 0.00 0.00 174.62 174.96 2dk6 n SER 16 N 1.51 3.80 -4.10 3.99 2.88 -1.26 -4.98 113.62 115.46 2dk6 n SER 16 Ca -0.22 -3.27 -0.36 0.00 -1.33 0.00 0.00 58.87 53.69 2dk6 n SER 16 Cb 0.55 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.49 2dk6 n SER 16 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2dk6 s ASP 17 N -3.58 5.23 -0.55 -3.46 1.47 -1.26 -5.05 116.67 109.48 2dk6 s ASP 17 Ca 0.43 -2.57 -0.18 0.00 1.18 0.00 0.00 52.55 51.41 2dk6 s ASP 17 Cb 0.39 -1.84 0.10 0.00 -0.34 0.00 0.00 42.92 41.23 2dk6 s ASP 17 CO -0.03 -0.43 0.59 -0.89 0.68 0.00 0.00 175.17 175.09 2dk6 s THR 18 N 0.36 4.99 -0.15 2.11 2.01 -1.26 -5.04 115.64 118.66 2dk6 s THR 18 Ca 0.14 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 2dk6 s THR 18 Cb -0.21 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 2dk6 s THR 18 CO -0.04 -0.92 0.76 -1.10 -0.69 0.00 0.00 174.62 172.62 2dk6 s GLN 19 N 2.25 4.31 -0.33 4.92 -0.21 -1.26 -5.03 119.66 124.30 2dk6 s GLN 19 Ca 0.09 0.89 -0.18 0.00 0.02 0.00 0.00 55.36 56.18 2dk6 s GLN 19 Cb -0.25 -3.55 -0.01 0.00 1.00 0.00 0.00 33.01 30.21 2dk6 s GLN 19 CO 0.06 -0.22 0.49 -1.58 -2.12 0.00 0.00 175.29 171.92 2dk6 s TRP 20 N 1.80 3.19 0.27 0.91 0.52 -1.26 -2.62 118.94 121.76 2dk6 s TRP 20 Ca 0.36 0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.77 2dk6 s TRP 20 Cb -0.17 -2.86 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 2dk6 s TRP 20 CO 0.13 -0.48 0.24 0.20 0.02 0.00 0.00 176.95 177.06 2dk6 s GLY 21 N 1.73 1.49 0.05 0.98 0.00 0.24 -4.93 107.32 106.88 2dk6 s GLY 21 Ca 0.18 -1.46 0.04 0.00 0.00 0.00 0.00 44.72 43.48 2dk6 s GLY 21 CO 0.12 -1.47 -0.03 -0.98 0.00 0.00 0.00 173.10 170.74 2dk6 s TRP 22 N -2.17 2.94 0.05 1.90 0.52 -1.26 -1.84 118.94 119.09 2dk6 s TRP 22 Ca 0.35 -0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.48 2dk6 s TRP 22 Cb -0.07 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 2dk6 s TRP 22 CO 0.26 0.44 -0.12 -0.06 0.02 0.00 0.00 176.95 177.48 2dk6 s PHE 23 N -1.16 1.03 -0.07 -1.98 0.40 -0.65 0.35 117.98 115.89 2dk6 s PHE 23 Ca 0.21 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2dk6 s PHE 23 Cb -0.11 -0.59 0.02 0.00 0.51 0.00 0.00 43.02 42.84 2dk6 s PHE 23 CO 0.13 0.01 -0.10 1.52 0.70 0.00 0.00 175.22 177.48 2dk6 s TYR 24 N -1.17 1.32 0.74 0.36 -0.85 -0.26 -2.04 117.35 115.45 2dk6 s TYR 24 Ca -0.03 -0.51 -0.15 0.00 -0.52 0.00 0.00 57.07 55.86 2dk6 s TYR 24 Cb -0.09 -1.03 0.04 0.00 0.38 0.00 0.00 41.96 41.26 2dk6 s TYR 24 CO 0.01 -0.31 1.20 -1.17 -1.52 0.00 0.00 175.55 173.76 2dk6 s LEU 25 N 0.93 3.29 0.32 -3.49 2.96 0.06 -0.24 118.68 122.52 2dk6 s LEU 25 Ca -0.10 2.33 0.09 0.00 -0.22 0.00 0.00 54.13 56.23 2dk6 s LEU 25 Cb -0.15 -4.59 -0.05 0.00 0.50 0.00 0.00 46.19 41.91 2dk6 s LEU 25 CO 0.01 -2.27 0.01 0.00 -1.32 0.00 0.00 176.35 172.78 2dk6 s ALA 26 N -2.04 3.21 0.22 5.97 0.00 0.12 -4.65 121.76 124.59 2dk6 s ALA 26 Ca 0.74 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2dk6 s ALA 26 Cb -0.28 -0.49 0.32 0.00 0.00 0.00 0.00 23.12 22.67 2dk6 s ALA 26 CO 0.46 0.11 1.73 1.49 0.00 0.00 0.00 175.76 179.55 2dk6 h GLU 27 N 1.82 0.35 -0.16 0.00 4.22 -1.92 0.91 114.58 119.80 2dk6 h GLU 27 Ca -0.43 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2dk6 h GLU 27 Cb 1.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2dk6 h GLU 27 CO 0.65 0.23 0.10 0.00 -2.18 0.00 0.00 179.01 177.81 2dk6 n GLY 29 N -1.52 0.98 3.01 0.00 0.00 0.31 -5.14 105.19 102.83 2dk6 n GLY 29 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2dk6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 30 N 0.05 0.82 -0.38 1.61 -0.14 -1.25 -4.86 119.74 115.59 2dk6 s LYS 30 Ca 0.00 -0.31 -0.27 0.00 -1.36 0.00 0.00 55.97 54.04 2dk6 s LYS 30 Cb 0.00 -0.78 0.02 0.00 -1.68 0.00 0.00 37.83 35.39 2dk6 s LYS 30 CO 0.00 0.15 0.98 -1.58 -0.76 0.00 0.00 175.35 174.14 2dk6 s TRP 31 N -0.02 3.04 -0.31 3.18 0.52 -1.26 0.15 118.94 124.24 2dk6 s TRP 31 Ca 0.00 0.81 -0.10 0.00 0.02 0.00 0.00 56.10 56.83 2dk6 s TRP 31 Cb -0.06 -3.79 -0.01 0.00 -1.15 0.00 0.00 33.47 28.46 2dk6 s TRP 31 CO -0.00 -0.90 0.17 -1.01 0.02 0.00 0.00 176.95 175.24 2dk6 s HIS 32 N 3.66 3.19 -0.26 -1.98 3.76 0.67 -4.82 115.29 119.51 2dk6 s HIS 32 Ca 0.41 -0.41 -0.35 0.00 -0.15 0.00 0.00 55.06 54.56 2dk6 s HIS 32 Cb -0.11 -2.38 -0.11 0.00 1.11 0.00 0.00 32.58 31.08 2dk6 s HIS 32 CO 0.20 -0.40 2.06 -0.12 -0.85 0.00 0.00 174.74 175.64 2dk6 n MET 33 N 5.02 1.46 -1.15 1.40 1.56 -1.26 -1.10 117.12 123.05 2dk6 n MET 33 Ca -0.14 0.46 -0.45 0.00 -0.27 0.00 0.00 57.70 57.30 2dk6 n MET 33 Cb 0.50 -2.55 -0.06 0.00 2.15 0.00 0.00 33.22 33.25 2dk6 n MET 33 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2dk6 n PHE 34 N 8.71 0.68 -3.80 1.12 3.72 0.15 -4.90 117.46 123.15 2dk6 n PHE 34 Ca 0.33 0.80 -0.11 0.00 -0.05 0.00 0.00 57.45 58.42 2dk6 n PHE 34 Cb 0.26 -1.56 -0.08 0.00 -0.94 0.00 0.00 39.48 37.15 2dk6 n PHE 34 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2dk6 s GLN 35 N 0.55 0.70 -0.36 -1.08 -0.21 -1.26 -3.66 119.66 114.35 2dk6 s GLN 35 Ca 0.70 -0.47 -0.28 0.00 0.02 0.00 0.00 55.36 55.32 2dk6 s GLN 35 Cb -0.98 0.30 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 2dk6 s GLN 35 CO 0.47 -0.21 1.71 -1.25 -2.12 0.00 0.00 175.29 173.89 2dk6 s PRO 36 N -2.17 3.37 0.99 2.91 0.04 -1.26 -4.64 135.00 134.24 2dk6 s PRO 36 Ca -0.08 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2dk6 s PRO 36 Cb -0.03 -4.16 0.19 0.00 0.04 0.00 0.00 34.50 30.54 2dk6 s PRO 36 CO -0.01 -1.82 1.11 0.34 0.04 0.00 0.00 177.00 176.66 2dk6 s ASP 37 N 5.64 2.28 0.70 6.66 2.15 -1.26 -4.79 116.67 128.05 2dk6 s ASP 37 Ca 0.75 2.01 -0.16 0.00 0.43 0.00 0.00 52.55 55.58 2dk6 s ASP 37 Cb -0.20 -2.50 -0.14 0.00 -0.30 0.00 0.00 42.92 39.78 2dk6 s ASP 37 CO 0.33 -3.47 -0.44 0.35 -0.17 0.00 0.00 175.17 171.76 2dk6 n THR 38 N -4.47 0.00 -0.30 1.71 -2.24 -1.26 -3.70 114.28 104.02 2dk6 n THR 38 Ca 0.09 -0.46 0.09 0.00 -2.27 0.00 0.00 64.05 61.50 2dk6 n THR 38 Cb 0.53 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.00 2dk6 n THR 38 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2dk6 h ASN 39 N -0.48 0.47 0.03 3.42 -1.24 -1.97 1.04 115.58 116.85 2dk6 h ASN 39 Ca -0.39 0.11 0.03 0.00 0.71 0.00 0.00 56.30 56.76 2dk6 h ASN 39 Cb 1.25 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 40.29 2dk6 h ASN 39 CO 0.29 0.16 -0.40 -1.28 -1.29 0.00 0.00 177.43 174.91 2dk6 h SER 40 N 0.56 -1.20 -0.99 1.15 0.87 -2.02 -2.86 113.55 109.06 2dk6 h SER 40 Ca 0.48 0.14 -0.61 0.00 -1.23 0.00 0.00 61.79 60.57 2dk6 h SER 40 Cb 0.75 0.47 -0.37 0.00 -0.44 0.00 0.00 62.40 62.81 2dk6 h SER 40 CO -0.40 -0.45 -0.09 0.00 -0.53 0.00 0.00 176.83 175.35 2dk6 n GLN 41 N -5.45 3.22 -1.70 2.24 3.00 -0.76 -4.72 117.38 113.21 2dk6 n GLN 41 Ca -0.06 -3.85 -0.57 0.00 -0.01 0.00 0.00 57.00 52.51 2dk6 n GLN 41 Cb 0.37 -2.28 -0.07 0.00 0.00 0.00 0.00 30.24 28.25 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dk6 s SER 43 N 3.19 4.69 0.00 0.00 0.01 -1.26 -4.56 113.70 115.77 2dk6 s SER 43 Ca 0.97 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 2dk6 s SER 43 Cb -1.06 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 2dk6 s SER 43 CO 0.64 -1.06 1.18 0.68 0.41 0.00 0.00 173.24 175.10 2dk6 s VAL 44 N -2.73 4.20 0.61 3.43 -7.23 -1.26 -4.29 120.40 113.13 2dk6 s VAL 44 Ca 0.37 1.56 -0.07 0.00 -1.81 0.00 0.00 61.98 62.03 2dk6 s VAL 44 Cb -0.02 -4.00 0.01 0.00 0.56 0.00 0.00 36.38 32.92 2dk6 s VAL 44 CO 0.23 0.06 0.94 -0.44 -0.31 0.00 0.00 175.10 175.58 2dk6 s SER 45 N 1.26 5.60 0.32 4.85 0.01 -1.26 -4.56 113.70 119.92 2dk6 s SER 45 Ca 0.57 0.83 0.09 0.00 1.31 0.00 0.00 55.95 58.75 2dk6 s SER 45 Cb -0.27 -1.80 0.95 0.00 0.21 0.00 0.00 66.02 65.12 2dk6 s SER 45 CO 0.26 -1.10 1.50 -1.54 0.41 0.00 0.00 173.24 172.76 2dk6 n SER 46 N -2.67 0.07 -0.30 2.44 3.41 -1.24 -0.43 113.62 114.90 2dk6 n SER 46 Ca 0.05 1.60 -0.11 0.00 -0.26 0.00 0.00 58.87 60.15 2dk6 n SER 46 Cb 0.57 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2dk6 n SER 46 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dk6 h GLU 47 N 0.00 -0.15 0.58 4.33 4.81 -1.92 0.31 114.58 122.54 2dk6 h GLU 47 Ca 0.67 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.89 2dk6 h GLU 47 Cb 1.57 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 2dk6 h GLU 47 CO -0.83 -0.10 -0.41 0.22 -0.73 0.00 0.00 179.01 177.16 2dk6 h ASP 48 N -0.16 -1.07 -1.00 1.04 1.82 -1.10 0.25 116.42 116.20 2dk6 h ASP 48 Ca 0.14 0.07 0.35 0.00 -0.39 0.00 0.00 57.03 57.20 2dk6 h ASP 48 Cb 0.50 0.33 -0.16 0.00 0.68 0.00 0.00 39.33 40.68 2dk6 h ASP 48 CO -0.80 -0.60 0.54 0.40 -1.61 0.00 0.00 179.24 177.17 2dk6 h ILE 49 N -0.95 0.19 0.11 2.25 5.03 -1.23 0.64 117.51 123.56 2dk6 h ILE 49 Ca -0.08 -0.07 -0.01 0.00 -0.12 0.00 0.00 64.86 64.59 2dk6 h ILE 49 Cb 0.78 -0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 2dk6 h ILE 49 CO 0.04 0.04 -0.05 -0.08 -0.68 0.00 0.00 178.15 177.42 2dk6 h GLU 50 N 0.21 -0.15 -1.28 2.37 4.57 0.05 -1.90 114.58 118.45 2dk6 h GLU 50 Ca 0.77 0.01 0.45 0.00 -1.18 0.00 0.00 59.36 59.41 2dk6 h GLU 50 Cb 1.85 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 30.33 2dk6 h GLU 50 CO -0.67 -0.10 0.80 1.57 -1.18 0.00 0.00 179.01 179.43 2dk6 h LYS 51 N -0.27 0.04 0.21 1.92 2.10 -0.27 0.33 116.57 120.64 2dk6 h LYS 51 Ca -0.02 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2dk6 h LYS 51 Cb 0.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2dk6 h LYS 51 CO 0.03 0.03 -0.10 1.03 -2.00 0.00 0.00 179.45 178.43 2dk6 h SER 52 N 0.04 -0.24 -0.77 7.07 0.87 -0.93 -3.15 113.55 116.44 2dk6 h SER 52 Ca 0.85 -0.28 0.15 0.00 -1.23 0.00 0.00 61.79 61.28 2dk6 h SER 52 Cb 2.60 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 64.52 2dk6 h SER 52 CO -0.52 0.22 0.31 0.15 -0.53 0.00 0.00 176.83 176.46 2dk6 h PHE 53 N -0.77 0.52 -0.08 2.24 3.04 0.44 -2.08 116.94 120.24 2dk6 h PHE 53 Ca -0.03 0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2dk6 h PHE 53 Cb 0.51 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.84 2dk6 h PHE 53 CO 0.06 0.05 -0.45 0.87 -2.02 0.00 0.00 178.31 176.81 2dk6 h LYS 54 N 0.43 -0.53 -0.81 1.11 1.57 -1.20 -1.22 116.57 115.92 2dk6 h LYS 54 Ca 0.43 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.44 2dk6 h LYS 54 Cb 0.67 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.97 2dk6 h LYS 54 CO -0.42 -0.35 0.11 1.15 -0.57 0.00 0.00 179.45 179.37 2dk6 h THR 55 N -0.55 0.33 -2.24 -0.16 2.02 -1.34 -3.36 112.91 107.61 2dk6 h THR 55 Ca 0.06 -0.05 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 2dk6 h THR 55 Cb 0.66 0.16 -0.34 0.00 -1.74 0.00 0.00 68.15 66.89 2dk6 h THR 55 CO -0.38 0.03 -0.61 0.21 0.37 0.00 0.00 175.52 175.14 2dk6 s ASN 56 N -5.15 1.36 0.21 4.18 2.47 -0.57 -5.00 114.94 112.43 2dk6 s ASN 56 Ca -0.13 -0.42 0.22 0.00 0.42 0.00 0.00 52.86 52.95 2dk6 s ASN 56 Cb 0.24 0.56 0.91 0.00 -1.45 0.00 0.00 41.25 41.51 2dk6 s ASN 56 CO 0.76 -0.35 1.66 -0.81 -3.72 0.00 0.00 177.10 174.64 2dk6 n PRO 57 N 5.32 0.16 -2.12 0.43 -0.04 -0.57 -2.85 135.00 135.33 2dk6 n PRO 57 Ca -0.04 0.40 -0.23 0.00 -0.04 0.00 0.00 63.50 63.59 2dk6 n PRO 57 Cb 0.48 -1.80 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 2dk6 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dk6 n GLY 59 N -0.68 5.25 3.11 0.00 0.00 -1.13 -4.62 105.19 107.12 2dk6 n GLY 59 Ca 0.41 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 2dk6 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk6 s SER 60 N -0.05 1.27 -0.36 1.61 1.04 -1.26 -0.40 113.70 115.55 2dk6 s SER 60 Ca 0.00 -0.55 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 2dk6 s SER 60 Cb 0.00 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.16 2dk6 s SER 60 CO 0.00 -0.11 0.13 -0.51 0.98 0.00 0.00 173.24 173.73 2dk6 s ILE 61 N -1.22 3.69 -0.37 -1.02 2.07 -0.46 -4.97 121.20 118.91 2dk6 s ILE 61 Ca -0.05 -1.33 -0.15 0.00 -1.41 0.00 0.00 60.65 57.70 2dk6 s ILE 61 Cb -0.09 -3.18 0.00 0.00 0.13 0.00 0.00 42.46 39.32 2dk6 s ILE 61 CO 0.01 -0.29 0.36 -0.94 -1.91 0.00 0.00 174.94 172.17 2dk6 s SER 62 N 1.57 6.16 0.07 4.50 1.04 -1.26 -2.45 113.70 123.32 2dk6 s SER 62 Ca -0.00 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.01 2dk6 s SER 62 Cb -0.21 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 2dk6 s SER 62 CO 0.01 -0.40 -0.10 0.72 0.98 0.00 0.00 173.24 174.44 2dk6 s PHE 63 N 1.97 0.96 -0.11 5.02 -0.12 -1.12 -5.08 117.98 119.50 2dk6 s PHE 63 Ca 0.10 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 2dk6 s PHE 63 Cb -0.17 -0.54 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 2dk6 s PHE 63 CO 0.12 -0.02 -0.18 0.95 -0.05 0.00 0.00 175.22 176.04 2dk6 s THR 64 N -1.68 1.68 0.49 -4.49 -4.23 -1.26 -2.39 115.64 103.76 2dk6 s THR 64 Ca -0.03 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2dk6 s THR 64 Cb -0.08 -1.51 0.10 0.00 1.34 0.00 0.00 72.50 72.36 2dk6 s THR 64 CO 0.01 0.48 0.67 0.35 -0.54 0.00 0.00 174.62 175.58 2dk6 n THR 65 N 4.06 0.00 0.00 3.99 -2.24 0.14 -4.95 114.28 115.28 2dk6 n THR 65 Ca -0.20 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2dk6 n THR 65 Cb 0.52 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 2dk6 n THR 65 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dk6 n SER 66 N -3.18 0.00 -2.56 3.42 3.41 -1.26 -3.23 113.62 110.22 2dk6 n SER 66 Ca 0.10 0.64 -0.15 0.00 -0.26 0.00 0.00 58.87 59.20 2dk6 n SER 66 Cb 0.34 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2dk6 n LYS 67 N -2.35 2.22 -3.53 4.33 2.85 -1.26 -5.07 118.16 115.35 2dk6 n LYS 67 Ca 0.00 -3.78 -0.11 0.00 -1.05 0.00 0.00 58.31 53.37 2dk6 n LYS 67 Cb 0.00 -1.73 -0.02 0.00 -0.65 0.00 0.00 35.03 32.63 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2dk6 s PHE 68 N -3.42 -0.42 0.12 5.58 0.08 -1.20 -5.12 117.98 113.60 2dk6 s PHE 68 Ca 0.36 0.16 0.07 0.00 0.12 0.00 0.00 56.93 57.64 2dk6 s PHE 68 Cb 0.41 0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 43.36 2dk6 s PHE 68 CO -0.04 -0.89 -0.16 -1.12 -0.10 0.00 0.00 175.22 172.91 2dk6 s SER 69 N -2.79 2.14 -0.19 1.36 0.01 -1.26 0.24 113.70 113.20 2dk6 s SER 69 Ca 0.03 -0.76 -0.16 0.00 1.31 0.00 0.00 55.95 56.38 2dk6 s SER 69 Cb -0.01 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.18 2dk6 s SER 69 CO -0.09 -0.08 0.50 -0.31 0.41 0.00 0.00 173.24 173.67 2dk6 s TYR 70 N -1.78 -0.61 -0.27 2.43 2.02 -1.00 -3.59 117.35 114.54 2dk6 s TYR 70 Ca 0.07 1.42 0.02 0.00 -0.37 0.00 0.00 57.07 58.21 2dk6 s TYR 70 Cb -0.07 0.25 0.07 0.00 -0.40 0.00 0.00 41.96 41.81 2dk6 s TYR 70 CO 0.04 -0.31 -0.04 0.21 -1.57 0.00 0.00 175.55 173.87 2dk6 s LYS 71 N 0.64 1.76 -0.47 -0.62 2.20 -0.50 -2.81 119.74 119.94 2dk6 s LYS 71 Ca -0.03 -1.30 -0.13 0.00 -0.36 0.00 0.00 55.97 54.15 2dk6 s LYS 71 Cb -0.05 -2.78 0.10 0.00 -1.51 0.00 0.00 37.83 33.58 2dk6 s LYS 71 CO -0.04 -0.68 0.38 0.42 -0.36 0.00 0.00 175.35 175.06 2dk6 s ILE 72 N 1.20 4.79 -0.04 5.43 1.01 -1.03 0.99 121.20 133.55 2dk6 s ILE 72 Ca -0.03 -1.38 -0.23 0.00 0.00 0.00 0.00 60.65 59.02 2dk6 s ILE 72 Cb -0.19 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2dk6 s ILE 72 CO -0.07 -0.66 0.68 -1.81 0.00 0.00 0.00 174.94 173.07 2dk6 s ASP 73 N 2.72 7.00 -0.13 3.58 1.11 -0.99 -1.36 116.67 128.60 2dk6 s ASP 73 Ca 0.04 1.20 -0.22 0.00 0.18 0.00 0.00 52.55 53.75 2dk6 s ASP 73 Cb -0.26 -2.40 -0.26 0.00 1.07 0.00 0.00 42.92 41.08 2dk6 s ASP 73 CO 0.03 -0.05 0.59 -0.26 1.18 0.00 0.00 175.17 176.66 2dk6 h PHE 74 N 6.37 0.22 -0.70 4.23 0.04 -1.00 -2.70 116.94 123.40 2dk6 h PHE 74 Ca -0.42 -0.16 0.11 0.00 2.80 0.00 0.00 57.97 60.30 2dk6 h PHE 74 Cb 1.20 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.26 2dk6 h PHE 74 CO 0.65 1.34 0.30 0.00 -0.60 0.00 0.00 178.31 180.00 2dk6 h ALA 75 N -0.12 0.96 0.00 2.45 0.00 -1.65 0.30 119.26 121.20 2dk6 h ALA 75 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dk6 h ALA 75 Cb 1.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2dk6 h ALA 75 CO -0.01 -0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.49 2dk6 n GLU 76 N -4.95 0.03 -3.80 0.00 1.02 -1.26 -4.91 120.64 106.77 2dk6 n GLU 76 Ca 0.12 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 57.07 2dk6 n GLU 76 Cb 0.33 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2dk6 n MET 77 N -1.48 -5.04 -3.53 3.49 2.81 0.10 -4.97 117.12 108.50 2dk6 n MET 77 Ca 0.07 0.60 -0.16 0.00 -1.81 0.00 0.00 57.70 56.39 2dk6 n MET 77 Cb 0.29 -5.25 -0.06 0.00 -0.71 0.00 0.00 33.22 27.50 2dk6 n MET 77 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2dk6 s LYS 78 N -6.25 0.95 -0.27 0.03 -2.85 -1.02 -2.98 119.74 107.35 2dk6 s LYS 78 Ca 0.25 0.22 -0.15 0.00 -1.00 0.00 0.00 55.97 55.29 2dk6 s LYS 78 Cb -0.12 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2dk6 s LYS 78 CO 0.82 -0.30 0.39 -1.14 0.10 0.00 0.00 175.35 175.23 2dk6 s GLN 79 N -1.21 4.02 -0.39 1.78 0.74 0.14 -2.35 119.66 122.39 2dk6 s GLN 79 Ca -0.09 0.08 -0.20 0.00 0.05 0.00 0.00 55.36 55.20 2dk6 s GLN 79 Cb -0.00 -3.66 0.01 0.00 1.10 0.00 0.00 33.01 30.46 2dk6 s GLN 79 CO 0.08 -0.29 0.61 1.41 -0.55 0.00 0.00 175.29 176.55 2dk6 s MET 80 N 2.11 3.47 0.29 1.67 -2.45 0.28 -2.64 119.30 122.02 2dk6 s MET 80 Ca 0.16 -0.20 -0.22 0.00 -1.25 0.00 0.00 55.69 54.18 2dk6 s MET 80 Cb -0.16 -3.88 -0.09 0.00 1.25 0.00 0.00 34.83 31.95 2dk6 s MET 80 CO 0.10 -0.85 0.83 1.21 1.05 0.00 0.00 175.02 177.36 2dk6 s ASN 81 N 1.88 7.13 -0.01 1.11 3.84 -0.76 -1.41 114.94 126.72 2dk6 s ASN 81 Ca 0.22 1.59 -0.00 0.00 0.21 0.00 0.00 52.86 54.88 2dk6 s ASN 81 Cb -0.15 -2.49 -0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2dk6 s ASN 81 CO 0.16 -0.06 -0.01 0.18 -2.79 0.00 0.00 177.10 174.58 2dk6 n LEU 82 N 0.44 1.72 -0.33 3.21 7.99 -1.25 -3.55 117.00 125.23 2dk6 n LEU 82 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.07 2dk6 n LEU 82 Cb 0.51 -0.02 0.22 0.00 -0.11 0.00 0.00 43.42 44.01 2dk6 n LEU 82 CO 0.43 0.30 1.18 0.00 -1.51 0.00 0.00 177.39 177.78 2dk6 h THR 83 N -0.01 0.87 0.00 -5.08 1.03 -1.94 -3.18 112.91 104.60 2dk6 h THR 83 Ca -0.02 -0.29 -0.05 0.00 -0.01 0.00 0.00 66.41 66.04 2dk6 h THR 83 Cb 1.02 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 68.04 2dk6 h THR 83 CO -0.01 0.15 -1.36 0.35 -0.01 0.00 0.00 175.52 174.65 2dk6 n THR 84 N -4.71 0.19 -0.66 0.00 -2.24 -1.26 -5.02 114.28 100.59 2dk6 n THR 84 Ca 0.17 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2dk6 n THR 84 Cb 0.35 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk6 n GLY 85 N 2.35 0.64 3.74 3.38 0.00 -1.20 -5.06 105.19 109.03 2dk6 n GLY 85 Ca -0.05 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2dk6 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 86 N -0.75 0.21 -0.03 1.61 -0.14 -1.26 -4.78 119.74 114.60 2dk6 s LYS 86 Ca 0.00 0.08 -0.02 0.00 -1.36 0.00 0.00 55.97 54.67 2dk6 s LYS 86 Cb 0.00 -1.75 0.01 0.00 -1.68 0.00 0.00 37.83 34.42 2dk6 s LYS 86 CO 0.00 -2.79 0.08 1.14 -0.76 0.00 0.00 175.35 173.02 2dk6 s GLN 87 N -5.38 0.07 0.19 1.68 -2.07 -1.26 -1.83 119.66 111.06 2dk6 s GLN 87 Ca 0.68 0.15 -0.10 0.00 -1.82 0.00 0.00 55.36 54.27 2dk6 s GLN 87 Cb -0.12 -0.03 -0.01 0.00 -1.09 0.00 0.00 33.01 31.77 2dk6 s GLN 87 CO 0.55 -0.05 0.35 -0.98 -1.32 0.00 0.00 175.29 173.83 2dk6 s ARG 88 N 0.34 1.28 0.36 9.60 1.70 -1.08 -4.93 118.95 126.22 2dk6 s ARG 88 Ca -0.03 -1.20 0.06 0.00 -0.47 0.00 0.00 55.73 54.10 2dk6 s ARG 88 Cb -0.04 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 2dk6 s ARG 88 CO -0.01 -0.49 0.51 -0.51 -1.08 0.00 0.00 175.30 173.71 2dk6 s LEU 89 N -2.99 3.91 0.01 -1.89 1.02 -1.26 0.26 118.68 117.75 2dk6 s LEU 89 Ca 0.19 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.23 2dk6 s LEU 89 Cb 0.02 -2.81 -0.01 0.00 0.02 0.00 0.00 46.19 43.41 2dk6 s LEU 89 CO 0.03 -0.49 -0.02 0.27 0.02 0.00 0.00 176.35 176.16 2dk6 s ILE 90 N -2.24 0.14 0.06 -0.59 -4.36 -1.16 -0.76 121.20 112.29 2dk6 s ILE 90 Ca 0.46 -0.44 0.02 0.00 -0.26 0.00 0.00 60.65 60.42 2dk6 s ILE 90 Cb -0.10 -0.20 -0.03 0.00 1.25 0.00 0.00 42.46 43.39 2dk6 s ILE 90 CO 0.32 -0.19 -0.07 -1.59 0.24 0.00 0.00 174.94 173.65 2dk6 s LYS 91 N -0.67 0.61 -0.24 0.37 -2.85 -0.87 -4.69 119.74 111.40 2dk6 s LYS 91 Ca -0.06 -0.93 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 2dk6 s LYS 91 Cb -0.05 -0.23 0.05 0.00 -2.06 0.00 0.00 37.83 35.54 2dk6 s LYS 91 CO -0.00 0.02 -0.13 0.50 0.10 0.00 0.00 175.35 175.84 2dk6 s ARG 92 N -2.28 2.42 0.14 1.78 3.52 -1.26 -1.63 118.95 121.63 2dk6 s ARG 92 Ca -0.04 -1.23 -0.10 0.00 -0.13 0.00 0.00 55.73 54.24 2dk6 s ARG 92 Cb -0.05 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.51 2dk6 s ARG 92 CO -0.01 -0.49 0.28 0.00 -0.81 0.00 0.00 175.30 174.26 2dk6 s ALA 93 N 1.15 -0.18 0.80 6.12 0.00 -0.76 -5.00 121.76 123.88 2dk6 s ALA 93 Ca -0.06 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2dk6 s ALA 93 Cb -0.18 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.75 2dk6 s ALA 93 CO -0.07 -0.62 1.09 -1.25 0.00 0.00 0.00 175.76 174.92 2dk6 s PRO 94 N -3.92 2.07 0.15 0.00 0.04 -1.26 -0.59 135.00 131.49 2dk6 s PRO 94 Ca 0.12 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.00 2dk6 s PRO 94 Cb 0.03 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 2dk6 s PRO 94 CO -0.04 -1.76 1.57 0.74 0.04 0.00 0.00 177.00 177.56 2dk6 h PHE 95 N -1.21 -1.24 -4.88 0.56 -1.00 -1.84 -3.43 116.94 103.90 2dk6 h PHE 95 Ca -0.45 0.07 -0.31 0.00 2.81 0.00 0.00 57.97 60.09 2dk6 h PHE 95 Cb 1.24 0.60 0.11 0.00 3.61 0.00 0.00 35.95 41.51 2dk6 h PHE 95 CO 0.55 -0.44 -0.55 0.45 -1.61 0.00 0.00 178.31 176.71 2dk6 n SER 96 N -5.42 -5.09 -3.79 2.17 2.88 -1.26 -5.00 113.62 98.12 2dk6 n SER 96 Ca -0.01 -0.44 -0.09 0.00 -1.33 0.00 0.00 58.87 57.00 2dk6 n SER 96 Cb 0.35 -4.14 -0.03 0.00 -0.75 0.00 0.00 64.21 59.64 2dk6 n SER 96 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dk6 s SER 97 N -3.36 -0.26 -0.04 -3.46 1.04 -1.26 -5.16 113.70 101.20 2dk6 s SER 97 Ca 0.41 -0.55 -0.17 0.00 0.48 0.00 0.00 55.95 56.13 2dk6 s SER 97 Cb -0.18 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 2dk6 s SER 97 CO 0.58 -1.16 0.45 -0.83 0.98 0.00 0.00 173.24 173.27 2dk6 s GLY 98 N -2.90 2.47 0.00 7.32 0.00 -1.26 -4.96 107.32 107.99 2dk6 s GLY 98 Ca 0.11 -0.18 0.15 0.00 0.00 0.00 0.00 44.72 44.80 2dk6 s GLY 98 CO 0.01 0.43 1.43 -1.55 0.00 0.00 0.00 173.10 173.43 2dk6 n PRO 99 N 2.54 0.11 -1.48 2.90 -0.04 -1.26 -4.78 135.00 132.99 2dk6 n PRO 99 Ca -0.11 0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 2dk6 n PRO 99 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2dk6 n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk6 n SER 100 N -1.38 1.33 -3.74 3.54 2.88 -1.26 -4.87 113.62 110.12 2dk6 n SER 100 Ca 0.05 0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.49 2dk6 n SER 100 Cb 0.14 -1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 62.32 2dk6 n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk6 s SER 101 N 9.34 1.17 0.00 -3.46 0.01 -1.26 -5.03 113.70 114.47 2dk6 s SER 101 Ca 1.18 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2dk6 s SER 101 Cb -0.87 0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2dk6 s SER 101 CO 0.44 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.74