#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 4.36 -0.11 1.61 1.04 -1.26 -5.08 113.70 114.26 2dk6 s SER 2 Ca 0.00 -3.14 -0.20 0.00 0.48 0.00 0.00 55.95 53.09 2dk6 s SER 2 Cb 0.00 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 2dk6 s SER 2 CO 0.00 -0.21 0.55 -0.55 0.98 0.00 0.00 173.24 174.01 2dk6 s SER 3 N -0.46 6.77 -0.36 7.02 0.15 -1.26 -4.74 113.70 120.81 2dk6 s SER 3 Ca 0.18 0.92 -0.12 0.00 0.70 0.00 0.00 55.95 57.64 2dk6 s SER 3 Cb -0.22 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2dk6 s SER 3 CO -0.03 -0.04 0.21 -0.83 1.20 0.00 0.00 173.24 173.75 2dk6 s GLY 4 N 0.70 1.93 -0.10 9.45 0.00 -1.26 -4.97 107.32 113.07 2dk6 s GLY 4 Ca 0.29 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.41 2dk6 s GLY 4 CO 0.13 0.81 -0.00 0.23 0.00 0.00 0.00 173.10 174.27 2dk6 h SER 5 N 8.46 0.00 -2.77 1.64 0.87 -2.06 -3.44 113.55 116.25 2dk6 h SER 5 Ca -0.28 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.71 2dk6 h SER 5 Cb 1.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 2dk6 h SER 5 CO 0.66 0.49 1.14 -0.55 -0.53 0.00 0.00 176.83 178.05 2dk6 s SER 6 N -5.49 6.32 0.99 6.23 0.15 -1.26 -4.96 113.70 115.69 2dk6 s SER 6 Ca -0.00 1.56 -0.16 0.00 0.70 0.00 0.00 55.95 58.05 2dk6 s SER 6 Cb 0.00 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2dk6 s SER 6 CO 0.00 -1.32 -0.21 0.61 1.20 0.00 0.00 173.24 173.53 2dk6 n GLY 7 N 4.76 -3.00 3.12 9.45 0.00 -1.26 -5.02 105.19 113.24 2dk6 n GLY 7 Ca 0.19 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s ASN 8 N -1.58 -0.30 -0.30 1.61 4.22 -1.26 -5.13 114.94 112.19 2dk6 s ASN 8 Ca 0.50 0.57 -0.23 0.00 -2.14 0.00 0.00 52.86 51.56 2dk6 s ASN 8 Cb -0.16 0.50 -0.00 0.00 1.28 0.00 0.00 41.25 42.87 2dk6 s ASN 8 CO 0.72 -0.14 0.76 -1.61 -2.04 0.00 0.00 177.10 174.79 2dk6 s GLU 9 N 0.83 3.96 -0.08 3.55 8.01 -1.26 -5.05 118.70 128.67 2dk6 s GLU 9 Ca -0.06 0.55 0.00 0.00 0.01 0.00 0.00 54.97 55.48 2dk6 s GLU 9 Cb -0.07 -3.72 -0.03 0.00 -4.31 0.00 0.00 34.13 26.00 2dk6 s GLU 9 CO -0.05 -0.65 -0.07 0.54 0.01 0.00 0.00 175.26 175.03 2dk6 s VAL 10 N 2.88 3.67 0.06 2.63 0.11 -1.26 -5.12 120.40 123.37 2dk6 s VAL 10 Ca 0.31 -0.48 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2dk6 s VAL 10 Cb -0.14 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 2dk6 s VAL 10 CO 0.12 0.58 0.04 1.51 -3.33 0.00 0.00 175.10 174.02 2dk6 s ASP 11 N -0.59 0.37 -0.24 3.54 1.47 -1.26 -5.13 116.67 114.84 2dk6 s ASP 11 Ca 0.09 -0.88 -0.19 0.00 1.18 0.00 0.00 52.55 52.75 2dk6 s ASP 11 Cb -0.12 0.24 0.06 0.00 -0.34 0.00 0.00 42.92 42.77 2dk6 s ASP 11 CO 0.02 -0.63 0.61 -0.62 0.68 0.00 0.00 175.17 175.23 2dk6 s ASP 12 N -2.85 -0.70 0.38 2.11 -1.08 -1.26 -5.03 116.67 108.25 2dk6 s ASP 12 Ca 0.06 1.27 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 2dk6 s ASP 12 Cb 0.06 1.24 1.34 0.00 -1.46 0.00 0.00 42.92 44.10 2dk6 s ASP 12 CO -0.10 -0.22 1.60 0.24 0.52 0.00 0.00 175.17 177.21 2dk6 h MET 13 N 5.82 0.07 -6.39 4.34 2.86 -2.09 -3.39 114.93 116.15 2dk6 h MET 13 Ca -0.30 -0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 56.91 2dk6 h MET 13 Cb 1.18 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.84 2dk6 h MET 13 CO 0.15 0.04 -0.30 0.16 1.06 0.00 0.00 176.91 178.02 2dk6 s ASP 14 N -4.55 5.83 0.32 1.22 1.47 -1.26 -5.13 116.67 114.56 2dk6 s ASP 14 Ca -0.09 -0.27 0.03 0.00 1.18 0.00 0.00 52.55 53.40 2dk6 s ASP 14 Cb 0.32 -1.00 -0.05 0.00 -0.34 0.00 0.00 42.92 41.85 2dk6 s ASP 14 CO 0.79 -0.58 0.08 0.42 0.68 0.00 0.00 175.17 176.56 2dk6 s THR 15 N -2.26 0.92 0.25 2.11 -4.23 -1.26 -5.10 115.64 106.05 2dk6 s THR 15 Ca 0.49 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 2dk6 s THR 15 Cb -0.10 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 2dk6 s THR 15 CO 0.32 0.00 0.46 -0.44 -0.54 0.00 0.00 174.62 174.42 2dk6 s SER 16 N -3.45 -0.05 -0.36 3.99 0.01 -1.26 -5.09 113.70 107.50 2dk6 s SER 16 Ca 0.35 -0.98 -0.32 0.00 1.31 0.00 0.00 55.95 56.32 2dk6 s SER 16 Cb 0.08 0.58 -0.14 0.00 0.21 0.00 0.00 66.02 66.75 2dk6 s SER 16 CO 0.15 -1.13 1.51 0.47 0.41 0.00 0.00 173.24 174.65 2dk6 n ASP 17 N -0.41 0.55 -4.50 2.44 8.00 -1.26 -4.84 116.55 116.54 2dk6 n ASP 17 Ca -0.01 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 2dk6 n ASP 17 Cb 0.62 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 40.99 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dk6 s THR 18 N 4.19 5.11 0.37 -3.53 2.01 -1.26 -5.06 115.64 117.47 2dk6 s THR 18 Ca 0.85 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 2dk6 s THR 18 Cb -1.08 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 67.36 2dk6 s THR 18 CO 0.48 -0.33 1.04 -1.10 -0.69 0.00 0.00 174.62 174.01 2dk6 s GLN 19 N 2.09 4.29 -0.21 4.92 -1.52 -1.26 -5.00 119.66 122.97 2dk6 s GLN 19 Ca 0.12 1.51 -0.05 0.00 -1.95 0.00 0.00 55.36 54.99 2dk6 s GLN 19 Cb -0.17 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.94 2dk6 s GLN 19 CO 0.13 -0.03 0.01 -1.58 -0.25 0.00 0.00 175.29 173.57 2dk6 s TRP 20 N -1.60 3.06 0.14 0.91 0.52 -1.26 -2.13 118.94 118.58 2dk6 s TRP 20 Ca 0.55 -0.44 0.08 0.00 0.02 0.00 0.00 56.10 56.31 2dk6 s TRP 20 Cb -0.23 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 29.94 2dk6 s TRP 20 CO 0.28 -0.25 -0.10 0.20 0.02 0.00 0.00 176.95 177.10 2dk6 s GLY 21 N 1.08 1.75 -0.14 0.98 0.00 0.49 -4.86 107.32 106.62 2dk6 s GLY 21 Ca 0.03 -1.36 -0.05 0.00 0.00 0.00 0.00 44.72 43.33 2dk6 s GLY 21 CO 0.02 -1.36 0.03 -0.98 0.00 0.00 0.00 173.10 170.81 2dk6 s TRP 22 N -1.44 3.21 -0.02 1.90 0.52 -1.26 -1.29 118.94 120.56 2dk6 s TRP 22 Ca 0.23 0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.45 2dk6 s TRP 22 Cb -0.10 -1.96 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2dk6 s TRP 22 CO 0.14 0.27 -0.06 -0.06 0.02 0.00 0.00 176.95 177.26 2dk6 s PHE 23 N -0.14 0.65 -0.02 -1.98 0.40 -0.22 -0.32 117.98 116.35 2dk6 s PHE 23 Ca 0.06 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 2dk6 s PHE 23 Cb -0.12 -0.49 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 2dk6 s PHE 23 CO 0.02 -0.08 -0.17 1.52 0.70 0.00 0.00 175.22 177.21 2dk6 s TYR 24 N 0.24 2.60 0.78 0.36 1.13 -0.35 -0.31 117.35 121.80 2dk6 s TYR 24 Ca -0.03 -0.24 -0.11 0.00 -1.41 0.00 0.00 57.07 55.28 2dk6 s TYR 24 Cb -0.07 -1.56 0.07 0.00 -1.10 0.00 0.00 41.96 39.30 2dk6 s TYR 24 CO -0.00 0.16 1.12 -1.17 -2.51 0.00 0.00 175.55 173.15 2dk6 s LEU 25 N -0.91 3.07 0.00 -3.49 2.96 0.91 -0.29 118.68 120.93 2dk6 s LEU 25 Ca 0.12 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 2dk6 s LEU 25 Cb -0.10 -4.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.04 2dk6 s LEU 25 CO 0.02 -2.25 0.00 0.00 -1.32 0.00 0.00 176.35 172.80 2dk6 n ALA 26 N -3.45 0.32 -0.01 5.97 0.00 0.64 -4.60 120.51 119.38 2dk6 n ALA 26 Ca 0.10 -1.71 -0.09 0.00 0.00 0.00 0.00 53.44 51.74 2dk6 n ALA 26 Cb 0.52 0.93 0.06 0.00 0.00 0.00 0.00 19.45 20.97 2dk6 n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dk6 h GLU 27 N 0.00 0.59 -0.97 0.00 5.08 -1.93 -2.90 114.58 114.45 2dk6 h GLU 27 Ca -0.32 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.62 2dk6 h GLU 27 Cb 0.95 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2dk6 h GLU 27 CO 0.52 0.95 0.09 0.00 -1.00 0.00 0.00 179.01 179.58 2dk6 n GLY 29 N 0.14 -0.52 3.04 0.00 0.00 -1.09 -4.98 105.19 101.77 2dk6 n GLY 29 Ca 0.10 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 2dk6 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dk6 s LYS 30 N -6.31 1.97 -0.16 1.61 2.20 -1.26 -4.86 119.74 112.93 2dk6 s LYS 30 Ca 0.56 -0.48 -0.26 0.00 -0.36 0.00 0.00 55.97 55.43 2dk6 s LYS 30 Cb -0.26 -1.67 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2dk6 s LYS 30 CO 0.69 -0.03 0.86 -1.58 -0.36 0.00 0.00 175.35 174.93 2dk6 s TRP 31 N 0.88 3.43 0.07 4.03 0.52 -1.26 -0.26 118.94 126.35 2dk6 s TRP 31 Ca -0.10 1.31 0.02 0.00 0.02 0.00 0.00 56.10 57.36 2dk6 s TRP 31 Cb -0.15 -3.04 -0.04 0.00 -1.15 0.00 0.00 33.47 29.08 2dk6 s TRP 31 CO 0.01 -0.24 0.10 -1.01 0.02 0.00 0.00 176.95 175.82 2dk6 s HIS 32 N 2.15 3.24 -0.01 -1.98 3.76 0.60 -4.86 115.29 118.19 2dk6 s HIS 32 Ca 0.40 0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 55.12 2dk6 s HIS 32 Cb -0.17 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 2dk6 s HIS 32 CO 0.13 0.53 1.17 1.41 -0.85 0.00 0.00 174.74 177.13 2dk6 s MET 33 N -2.33 4.41 0.14 1.40 1.75 -1.26 -1.21 119.30 122.19 2dk6 s MET 33 Ca 0.29 1.67 -0.34 0.00 -1.25 0.00 0.00 55.69 56.06 2dk6 s MET 33 Cb -0.12 -3.47 -0.16 0.00 2.84 0.00 0.00 34.83 33.91 2dk6 s MET 33 CO 0.22 -0.33 1.16 1.19 -0.65 0.00 0.00 175.02 176.61 2dk6 n PHE 34 N 4.58 1.19 -3.55 4.11 3.01 0.56 -4.94 117.46 122.41 2dk6 n PHE 34 Ca 0.10 0.72 -0.16 0.00 1.01 0.00 0.00 57.45 59.12 2dk6 n PHE 34 Cb 0.47 -2.25 -0.06 0.00 -0.01 0.00 0.00 39.48 37.63 2dk6 n PHE 34 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2dk6 s GLN 35 N -0.17 1.02 -0.06 -1.08 -1.52 -1.26 -4.25 119.66 112.34 2dk6 s GLN 35 Ca 0.77 0.05 -0.30 0.00 -1.95 0.00 0.00 55.36 53.94 2dk6 s GLN 35 Cb -0.92 0.48 -0.05 0.00 -0.22 0.00 0.00 33.01 32.30 2dk6 s GLN 35 CO 0.52 -0.34 1.50 -1.25 -0.25 0.00 0.00 175.29 175.46 2dk6 s PRO 36 N -1.64 4.22 0.21 2.91 0.04 -1.25 -4.90 135.00 134.59 2dk6 s PRO 36 Ca -0.09 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 2dk6 s PRO 36 Cb -0.01 -3.81 0.34 0.00 0.04 0.00 0.00 34.50 31.06 2dk6 s PRO 36 CO 0.05 -0.74 1.22 -0.25 0.04 0.00 0.00 177.00 177.33 2dk6 n ASP 37 N 6.49 -0.31 -3.69 6.66 9.92 -1.26 -4.14 116.55 130.21 2dk6 n ASP 37 Ca 0.15 1.35 -0.18 0.00 -0.53 0.00 0.00 54.79 55.59 2dk6 n ASP 37 Cb 0.43 -0.40 -0.17 0.00 -0.64 0.00 0.00 41.12 40.35 2dk6 n ASP 37 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2dk6 s THR 38 N -5.96 -0.13 0.18 -3.53 -4.23 -1.26 -5.04 115.64 95.66 2dk6 s THR 38 Ca -0.12 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 60.59 2dk6 s THR 38 Cb 0.20 -0.18 0.11 0.00 1.34 0.00 0.00 72.50 73.97 2dk6 s THR 38 CO 0.60 0.15 1.67 -0.55 -0.54 0.00 0.00 174.62 175.95 2dk6 h ASN 39 N 8.11 -0.33 0.07 3.99 7.08 -1.99 0.54 115.58 133.04 2dk6 h ASN 39 Ca -0.21 0.12 0.01 0.00 -3.08 0.00 0.00 56.30 53.14 2dk6 h ASN 39 Cb 1.12 0.24 -0.05 0.00 -2.08 0.00 0.00 38.32 37.56 2dk6 h ASN 39 CO 0.23 -0.12 -0.48 0.77 -2.08 0.00 0.00 177.43 175.76 2dk6 h SER 40 N 0.04 -1.46 -2.93 6.14 4.64 -1.96 -3.31 113.55 114.71 2dk6 h SER 40 Ca 0.22 0.16 -0.62 0.00 -0.47 0.00 0.00 61.79 61.08 2dk6 h SER 40 Cb 0.33 0.54 -0.42 0.00 -0.31 0.00 0.00 62.40 62.55 2dk6 h SER 40 CO -0.43 -0.49 -0.61 0.00 -0.87 0.00 0.00 176.83 174.43 2dk6 n GLN 41 N -5.16 1.75 -2.95 4.77 1.13 -1.00 -5.09 117.38 110.82 2dk6 n GLN 41 Ca -0.07 -4.38 -0.21 0.00 -1.94 0.00 0.00 57.00 50.40 2dk6 n GLN 41 Cb 0.37 -2.22 0.02 0.00 0.11 0.00 0.00 30.24 28.51 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dk6 n SER 43 N -2.06 1.01 -4.22 0.00 2.88 -1.26 -4.97 113.62 104.99 2dk6 n SER 43 Ca 0.04 0.14 -0.15 0.00 -1.33 0.00 0.00 58.87 57.57 2dk6 n SER 43 Cb 0.59 -0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 63.58 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2dk6 s VAL 44 N -1.93 1.12 0.12 2.46 -7.23 -1.26 -5.07 120.40 108.61 2dk6 s VAL 44 Ca -0.05 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 2dk6 s VAL 44 Cb 0.01 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 2dk6 s VAL 44 CO 0.08 -0.63 0.00 -0.44 -0.31 0.00 0.00 175.10 173.81 2dk6 s SER 45 N -2.80 0.69 0.30 4.85 0.01 -1.26 -3.95 113.70 111.53 2dk6 s SER 45 Ca 0.11 -1.12 0.22 0.00 1.31 0.00 0.00 55.95 56.48 2dk6 s SER 45 Cb -0.01 0.20 1.01 0.00 0.21 0.00 0.00 66.02 67.43 2dk6 s SER 45 CO 0.01 -0.62 1.05 -1.54 0.41 0.00 0.00 173.24 172.55 2dk6 n SER 46 N -0.07 0.14 0.18 2.44 3.41 -1.26 0.83 113.62 119.29 2dk6 n SER 46 Ca -0.09 0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 59.36 2dk6 n SER 46 Cb 0.62 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.52 -0.95 4.33 4.81 -1.94 -2.60 114.58 117.71 2dk6 h GLU 47 Ca 0.59 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 60.05 2dk6 h GLU 47 Cb 1.92 0.12 -0.18 0.00 0.63 0.00 0.00 28.75 31.24 2dk6 h GLU 47 CO -0.31 -0.32 -0.22 -3.47 -0.73 0.00 0.00 179.01 173.96 2dk6 n ASP 48 N -5.14 -0.33 0.24 1.04 -0.08 0.24 -1.08 116.55 111.45 2dk6 n ASP 48 Ca -0.07 1.63 -0.09 0.00 -1.51 0.00 0.00 54.79 54.74 2dk6 n ASP 48 Cb 0.23 -0.50 -0.05 0.00 2.34 0.00 0.00 41.12 43.15 2dk6 n ASP 48 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2dk6 h ILE 49 N 0.00 0.00 -0.88 5.18 5.03 -1.53 -2.36 117.51 122.95 2dk6 h ILE 49 Ca 0.46 -0.06 0.26 0.00 -0.12 0.00 0.00 64.86 65.39 2dk6 h ILE 49 Cb 0.72 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 34.34 2dk6 h ILE 49 CO -0.97 0.00 0.07 1.21 -0.68 0.00 0.00 178.15 177.78 2dk6 n GLU 50 N -3.84 -0.07 -0.18 2.37 2.13 -0.50 0.17 120.64 120.73 2dk6 n GLU 50 Ca -0.08 1.30 -0.07 0.00 0.66 0.00 0.00 57.16 58.97 2dk6 n GLU 50 Cb 0.24 -2.10 0.02 0.00 0.27 0.00 0.00 31.44 29.87 2dk6 n GLU 50 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2dk6 h LYS 51 N 0.00 0.71 -0.23 5.31 3.64 -1.02 0.46 116.57 125.44 2dk6 h LYS 51 Ca 0.56 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.76 2dk6 h LYS 51 Cb 1.20 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2dk6 h LYS 51 CO -0.81 0.55 -0.28 0.77 -2.27 0.00 0.00 179.45 177.42 2dk6 h SER 52 N 0.68 0.46 -0.04 4.20 0.02 0.23 -2.70 113.55 116.40 2dk6 h SER 52 Ca 0.18 -0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 60.79 2dk6 h SER 52 Cb 0.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2dk6 h SER 52 CO -0.03 0.73 -0.58 0.15 -1.14 0.00 0.00 176.83 175.96 2dk6 h PHE 53 N 0.40 0.81 0.87 3.45 3.57 -0.12 -1.45 116.94 124.48 2dk6 h PHE 53 Ca 0.06 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.21 2dk6 h PHE 53 Cb 0.70 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.30 2dk6 h PHE 53 CO 0.02 1.07 -0.42 0.87 -2.23 0.00 0.00 178.31 177.62 2dk6 h LYS 54 N 0.48 -1.13 -0.85 1.11 1.57 -0.73 -1.53 116.57 115.50 2dk6 h LYS 54 Ca 0.00 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2dk6 h LYS 54 Cb 1.15 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.68 2dk6 h LYS 54 CO 0.11 -0.75 0.49 0.00 -0.57 0.00 0.00 179.45 178.73 2dk6 h THR 55 N -1.26 1.24 -3.01 -0.16 1.03 -1.57 -3.37 112.91 105.81 2dk6 h THR 55 Ca -0.12 -0.55 -0.58 0.00 -0.01 0.00 0.00 66.41 65.14 2dk6 h THR 55 Cb 0.91 0.07 -0.40 0.00 -1.07 0.00 0.00 68.15 67.65 2dk6 h THR 55 CO 0.20 0.26 -0.76 0.21 -0.01 0.00 0.00 175.52 175.41 2dk6 s ASN 56 N -6.29 3.76 0.53 0.00 3.84 -0.55 -4.97 114.94 111.27 2dk6 s ASN 56 Ca -0.12 -1.93 0.33 0.00 0.21 0.00 0.00 52.86 51.35 2dk6 s ASN 56 Cb 0.17 -0.80 1.38 0.00 -0.55 0.00 0.00 41.25 41.45 2dk6 s ASN 56 CO 0.81 -0.37 1.98 1.55 -2.79 0.00 0.00 177.10 178.29 2dk6 h PRO 57 N 7.63 0.00 -0.74 0.43 0.13 -1.45 -3.09 132.00 134.91 2dk6 h PRO 57 Ca -0.08 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.56 2dk6 h PRO 57 Cb 0.99 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.69 2dk6 h PRO 57 CO 0.44 0.00 -0.88 0.00 -0.23 0.00 0.00 178.00 177.34 2dk6 s GLY 59 N -3.63 1.99 0.12 0.00 0.00 -1.17 -4.38 107.32 100.25 2dk6 s GLY 59 Ca 0.46 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 43.25 2dk6 s GLY 59 CO 0.01 -1.92 -0.06 -1.35 0.00 0.00 0.00 173.10 169.79 2dk6 s SER 60 N -3.51 4.61 -0.31 1.64 1.04 -1.26 -0.85 113.70 115.06 2dk6 s SER 60 Ca 0.31 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.43 2dk6 s SER 60 Cb 0.04 -0.95 0.09 0.00 0.10 0.00 0.00 66.02 65.29 2dk6 s SER 60 CO 0.14 0.16 -0.01 -0.51 0.98 0.00 0.00 173.24 174.00 2dk6 s ILE 61 N -1.35 2.27 -0.25 -1.02 2.07 0.38 -4.98 121.20 118.32 2dk6 s ILE 61 Ca 0.24 -2.08 -0.25 0.00 -1.41 0.00 0.00 60.65 57.16 2dk6 s ILE 61 Cb -0.11 -2.55 -0.00 0.00 0.13 0.00 0.00 42.46 39.92 2dk6 s ILE 61 CO 0.16 -0.39 0.83 -0.94 -1.91 0.00 0.00 174.94 172.69 2dk6 s SER 62 N 0.99 6.82 -0.08 4.50 1.04 -1.26 -2.93 113.70 122.79 2dk6 s SER 62 Ca 0.04 1.01 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 2dk6 s SER 62 Cb -0.19 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.52 2dk6 s SER 62 CO -0.07 -0.53 0.19 0.72 0.98 0.00 0.00 173.24 174.53 2dk6 s PHE 63 N 2.87 -0.22 -0.25 5.02 -0.12 -1.04 -5.07 117.98 119.17 2dk6 s PHE 63 Ca 0.35 0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 57.73 2dk6 s PHE 63 Cb -0.15 0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.28 2dk6 s PHE 63 CO 0.08 -0.13 0.01 0.95 -0.05 0.00 0.00 175.22 176.07 2dk6 s THR 64 N 0.47 3.61 0.50 -4.49 -4.23 -1.26 -1.78 115.64 108.45 2dk6 s THR 64 Ca -0.03 -0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 2dk6 s THR 64 Cb -0.04 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.17 2dk6 s THR 64 CO -0.02 0.27 0.58 0.35 -0.54 0.00 0.00 174.62 175.26 2dk6 n THR 65 N 4.82 0.00 -1.78 3.99 -2.24 0.31 -4.87 114.28 114.50 2dk6 n THR 65 Ca -0.16 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 60.88 2dk6 n THR 65 Cb 0.49 -1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 2dk6 n THR 65 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dk6 s SER 66 N -3.12 4.81 -1.10 3.42 0.01 -1.26 -2.13 113.70 114.33 2dk6 s SER 66 Ca 0.34 0.71 -0.01 0.00 1.31 0.00 0.00 55.95 58.31 2dk6 s SER 66 Cb -0.02 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dk6 s SER 66 CO 0.25 -2.67 0.11 1.17 0.41 0.00 0.00 173.24 172.52 2dk6 n LYS 67 N 9.09 -1.66 -3.51 12.44 3.00 -1.26 -5.00 118.16 131.26 2dk6 n LYS 67 Ca 0.29 0.63 -0.13 0.00 -0.00 0.00 0.00 58.31 59.10 2dk6 n LYS 67 Cb 0.53 -4.85 -0.04 0.00 0.00 0.00 0.00 35.03 30.68 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2dk6 s PHE 68 N -2.75 -0.46 0.08 5.64 0.08 -0.90 -5.08 117.98 114.59 2dk6 s PHE 68 Ca 0.06 0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.57 2dk6 s PHE 68 Cb -0.02 0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 42.82 2dk6 s PHE 68 CO 0.07 -0.73 -0.19 -1.54 -0.10 0.00 0.00 175.22 172.72 2dk6 s SER 69 N -2.34 2.34 -0.20 1.36 1.04 -1.26 0.11 113.70 114.75 2dk6 s SER 69 Ca -0.02 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 2dk6 s SER 69 Cb -0.00 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.03 2dk6 s SER 69 CO -0.07 0.06 0.52 -0.31 0.98 0.00 0.00 173.24 174.42 2dk6 s TYR 70 N -1.09 -0.59 -0.09 5.02 2.02 -0.73 -2.56 117.35 119.32 2dk6 s TYR 70 Ca 0.05 1.42 0.02 0.00 -0.37 0.00 0.00 57.07 58.19 2dk6 s TYR 70 Cb -0.10 0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.69 2dk6 s TYR 70 CO 0.03 -0.29 -0.14 0.21 -1.57 0.00 0.00 175.55 173.80 2dk6 s LYS 71 N 0.40 2.00 -0.25 -0.62 2.20 0.16 -2.49 119.74 121.14 2dk6 s LYS 71 Ca -0.01 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2dk6 s LYS 71 Cb -0.04 -1.70 0.04 0.00 -1.51 0.00 0.00 37.83 34.62 2dk6 s LYS 71 CO -0.01 -0.03 -0.09 0.42 -0.36 0.00 0.00 175.35 175.27 2dk6 s ILE 72 N 0.90 2.47 -0.28 5.43 1.01 -1.15 0.24 121.20 129.82 2dk6 s ILE 72 Ca -0.09 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.15 2dk6 s ILE 72 Cb -0.15 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2dk6 s ILE 72 CO 0.00 0.12 0.14 -1.81 0.00 0.00 0.00 174.94 173.39 2dk6 s ASP 73 N 1.22 5.59 -0.01 3.58 1.11 -0.98 -0.47 116.67 126.70 2dk6 s ASP 73 Ca -0.04 -0.21 -0.24 0.00 0.18 0.00 0.00 52.55 52.24 2dk6 s ASP 73 Cb -0.18 -2.02 -0.17 0.00 1.07 0.00 0.00 42.92 41.62 2dk6 s ASP 73 CO -0.06 -0.08 1.17 -0.26 1.18 0.00 0.00 175.17 177.12 2dk6 h PHE 74 N 8.32 -0.22 -0.99 4.23 0.04 -1.27 -0.99 116.94 126.06 2dk6 h PHE 74 Ca -0.36 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 60.63 2dk6 h PHE 74 Cb 1.17 0.07 -0.09 0.00 2.20 0.00 0.00 35.95 39.31 2dk6 h PHE 74 CO 0.70 0.16 0.63 0.00 -0.60 0.00 0.00 178.31 179.20 2dk6 h ALA 75 N -0.01 2.02 0.00 2.45 0.00 -1.71 0.64 119.26 122.65 2dk6 h ALA 75 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk6 h ALA 75 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dk6 h ALA 75 CO 0.04 -0.39 -0.28 0.93 0.00 0.00 0.00 179.25 179.56 2dk6 h GLU 76 N 0.53 0.00 -6.06 0.00 4.39 -1.91 -3.48 114.58 108.05 2dk6 h GLU 76 Ca 0.56 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.83 2dk6 h GLU 76 Cb 1.20 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.90 2dk6 h GLU 76 CO -0.30 0.00 -0.77 -1.33 -1.16 0.00 0.00 179.01 175.45 2dk6 n MET 77 N -2.36 -5.88 -3.53 2.33 2.81 0.22 -4.98 117.12 105.73 2dk6 n MET 77 Ca 0.04 0.68 -0.18 0.00 -1.81 0.00 0.00 57.70 56.43 2dk6 n MET 77 Cb 0.46 -5.50 -0.06 0.00 -0.71 0.00 0.00 33.22 27.41 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 -6.17 1.04 -0.43 0.03 -2.85 -1.04 -2.94 119.74 107.38 2dk6 s LYS 78 Ca 0.32 0.25 -0.18 0.00 -1.00 0.00 0.00 55.97 55.36 2dk6 s LYS 78 Cb -0.16 0.49 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2dk6 s LYS 78 CO 0.79 -0.32 0.48 -1.14 0.10 0.00 0.00 175.35 175.27 2dk6 s GLN 79 N -1.17 3.13 -0.41 1.78 0.74 0.46 -2.32 119.66 121.86 2dk6 s GLN 79 Ca -0.11 -0.69 -0.25 0.00 0.05 0.00 0.00 55.36 54.37 2dk6 s GLN 79 Cb -0.00 -3.97 0.02 0.00 1.10 0.00 0.00 33.01 30.16 2dk6 s GLN 79 CO 0.10 -0.89 0.87 1.41 -0.55 0.00 0.00 175.29 176.22 2dk6 s MET 80 N 2.28 3.64 0.27 1.67 -2.45 0.64 -3.15 119.30 122.21 2dk6 s MET 80 Ca 0.14 0.26 -0.22 0.00 -1.25 0.00 0.00 55.69 54.62 2dk6 s MET 80 Cb -0.16 -3.87 -0.09 0.00 1.25 0.00 0.00 34.83 31.96 2dk6 s MET 80 CO 0.15 -1.05 0.81 1.21 1.05 0.00 0.00 175.02 177.19 2dk6 s ASN 81 N 2.04 7.14 -0.06 1.11 3.84 -0.76 0.36 114.94 128.61 2dk6 s ASN 81 Ca 0.35 1.57 -0.00 0.00 0.21 0.00 0.00 52.86 54.99 2dk6 s ASN 81 Cb -0.12 -2.48 -0.04 0.00 -0.55 0.00 0.00 41.25 38.07 2dk6 s ASN 81 CO 0.22 -0.03 -0.06 0.18 -2.79 0.00 0.00 177.10 174.62 2dk6 n LEU 82 N 0.56 2.60 -0.25 3.21 7.99 -1.19 -3.37 117.00 126.55 2dk6 n LEU 82 Ca -0.00 -0.02 0.05 0.00 -0.01 0.00 0.00 56.01 56.03 2dk6 n LEU 82 Cb 0.51 -0.21 0.16 0.00 -0.11 0.00 0.00 43.42 43.78 2dk6 n LEU 82 CO 0.43 0.53 0.86 0.00 -1.51 0.00 0.00 177.39 177.71 2dk6 h THR 83 N -0.04 0.41 0.00 -5.08 1.03 -1.88 -3.18 112.91 104.18 2dk6 h THR 83 Ca -0.14 -0.05 -0.04 0.00 -0.01 0.00 0.00 66.41 66.17 2dk6 h THR 83 Cb 1.20 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2dk6 h THR 83 CO -0.03 0.03 -1.26 0.35 -0.01 0.00 0.00 175.52 174.60 2dk6 n THR 84 N -5.27 0.15 -0.86 0.00 -2.24 -1.26 -4.99 114.28 99.81 2dk6 n THR 84 Ca 0.14 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2dk6 n THR 84 Cb 0.47 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 2.49 1.03 3.94 3.38 0.00 -1.20 -5.08 105.19 109.74 2dk6 n GLY 85 Ca -0.04 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.06 1.65 0.00 1.61 -0.14 -1.25 -4.84 119.74 114.72 2dk6 s LYS 86 Ca 0.00 -0.45 0.01 0.00 -1.36 0.00 0.00 55.97 54.17 2dk6 s LYS 86 Cb 0.00 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 34.04 2dk6 s LYS 86 CO 0.00 -1.63 -0.04 1.14 -0.76 0.00 0.00 175.35 174.07 2dk6 s GLN 87 N -5.42 0.30 -0.23 1.68 -2.07 -1.26 -1.83 119.66 110.82 2dk6 s GLN 87 Ca 0.65 -0.22 -0.13 0.00 -1.82 0.00 0.00 55.36 53.84 2dk6 s GLN 87 Cb -0.08 -0.23 0.07 0.00 -1.09 0.00 0.00 33.01 31.68 2dk6 s GLN 87 CO 0.47 0.06 0.56 -0.98 -1.32 0.00 0.00 175.29 174.08 2dk6 s ARG 88 N -0.34 0.56 0.91 9.60 1.70 -1.19 -4.97 118.95 125.23 2dk6 s ARG 88 Ca -0.01 1.01 -0.11 0.00 -0.47 0.00 0.00 55.73 56.15 2dk6 s ARG 88 Cb -0.03 0.08 0.14 0.00 -0.57 0.00 0.00 34.95 34.57 2dk6 s ARG 88 CO -0.00 -0.15 1.11 -0.51 -1.08 0.00 0.00 175.30 174.67 2dk6 s LEU 89 N 1.46 2.61 0.04 -1.89 1.43 -1.26 -0.40 118.68 120.67 2dk6 s LEU 89 Ca -0.09 1.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 2dk6 s LEU 89 Cb -0.06 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2dk6 s LEU 89 CO -0.16 -2.93 -0.07 0.27 0.23 0.00 0.00 176.35 173.69 2dk6 s ILE 90 N -2.72 0.50 0.04 -0.59 -4.36 -1.15 -0.07 121.20 112.85 2dk6 s ILE 90 Ca 0.65 -1.04 -0.05 0.00 -0.26 0.00 0.00 60.65 59.95 2dk6 s ILE 90 Cb -0.21 -0.57 -0.01 0.00 1.25 0.00 0.00 42.46 42.92 2dk6 s ILE 90 CO 0.58 -0.38 0.09 -1.59 0.24 0.00 0.00 174.94 173.88 2dk6 s LYS 91 N -1.53 0.60 -0.31 0.37 -2.85 0.58 -4.73 119.74 111.87 2dk6 s LYS 91 Ca -0.10 -0.79 0.03 0.00 -1.00 0.00 0.00 55.97 54.11 2dk6 s LYS 91 Cb -0.10 0.23 0.09 0.00 -2.06 0.00 0.00 37.83 35.99 2dk6 s LYS 91 CO 0.00 -0.15 0.01 0.50 0.10 0.00 0.00 175.35 175.81 2dk6 s ARG 92 N -2.74 1.64 0.13 1.78 3.52 -1.26 -1.06 118.95 120.97 2dk6 s ARG 92 Ca -0.04 -1.65 0.08 0.00 -0.13 0.00 0.00 55.73 53.99 2dk6 s ARG 92 Cb -0.00 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2dk6 s ARG 92 CO -0.05 -0.83 -0.20 0.00 -0.81 0.00 0.00 175.30 173.41 2dk6 s ALA 93 N 1.02 1.91 0.36 6.12 0.00 -0.41 -4.93 121.76 125.82 2dk6 s ALA 93 Ca 0.05 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.37 2dk6 s ALA 93 Cb -0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 2dk6 s ALA 93 CO -0.08 0.30 1.21 -1.25 0.00 0.00 0.00 175.76 175.94 2dk6 s PRO 94 N -2.35 4.25 0.93 0.00 0.04 -1.26 -0.38 135.00 136.23 2dk6 s PRO 94 Ca 0.11 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2dk6 s PRO 94 Cb -0.08 -2.90 0.15 0.00 0.04 0.00 0.00 34.50 31.71 2dk6 s PRO 94 CO 0.05 -0.19 1.11 -0.06 0.04 0.00 0.00 177.00 177.95 2dk6 s PHE 95 N -1.27 1.86 -0.67 0.56 0.40 -0.91 -4.77 117.98 113.19 2dk6 s PHE 95 Ca 0.52 1.56 -0.04 0.00 -0.60 0.00 0.00 56.93 58.37 2dk6 s PHE 95 Cb -0.34 -3.22 0.17 0.00 0.51 0.00 0.00 43.02 40.15 2dk6 s PHE 95 CO 0.44 -2.74 0.50 -1.12 0.70 0.00 0.00 175.22 173.01 2dk6 s SER 96 N -2.90 5.45 -0.76 1.36 0.01 -1.26 -4.87 113.70 110.73 2dk6 s SER 96 Ca 0.65 -2.92 -0.27 0.00 1.31 0.00 0.00 55.95 54.73 2dk6 s SER 96 Cb -0.21 -1.90 -0.16 0.00 0.21 0.00 0.00 66.02 63.96 2dk6 s SER 96 CO 0.59 -0.37 2.52 -0.24 0.41 0.00 0.00 173.24 176.14 2dk6 n SER 97 N 3.43 1.19 -4.73 2.44 2.88 -1.26 -4.87 113.62 112.69 2dk6 n SER 97 Ca 0.10 -0.30 -0.37 0.00 -1.33 0.00 0.00 58.87 56.97 2dk6 n SER 97 Cb 0.39 -1.25 0.06 0.00 -0.75 0.00 0.00 64.21 62.66 2dk6 n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk6 s GLY 98 N 10.01 2.82 -0.29 0.46 0.00 -1.26 -4.90 107.32 114.16 2dk6 s GLY 98 Ca 1.16 1.17 -0.29 0.00 0.00 0.00 0.00 44.72 46.76 2dk6 s GLY 98 CO 0.36 1.59 1.66 2.56 0.00 0.00 0.00 173.10 179.27 2dk6 s PRO 99 N -3.39 3.59 0.00 2.90 0.04 -1.26 -4.97 135.00 131.91 2dk6 s PRO 99 Ca 0.81 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2dk6 s PRO 99 Cb -0.36 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 2dk6 s PRO 99 CO 0.39 -1.55 1.30 0.45 0.04 0.00 0.00 177.00 177.63 2dk6 s SER 100 N 4.91 6.95 -1.14 6.66 0.15 -1.26 -3.12 113.70 126.85 2dk6 s SER 100 Ca 0.73 2.02 -0.05 0.00 0.70 0.00 0.00 55.95 59.35 2dk6 s SER 100 Cb -0.22 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 2dk6 s SER 100 CO 0.31 -0.63 0.98 -1.20 1.20 0.00 0.00 173.24 173.91 2dk6 n SER 101 N 4.94 -4.58 0.00 5.45 7.64 -1.26 -5.21 113.62 120.60 2dk6 n SER 101 Ca 0.12 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2dk6 n SER 101 Cb 0.45 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64