#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 4.54 0.32 1.61 0.01 -1.26 -4.78 113.70 114.14 2dk6 s SER 2 Ca 0.00 -0.79 0.11 0.00 1.31 0.00 0.00 55.95 56.58 2dk6 s SER 2 Cb 0.00 -2.57 0.99 0.00 0.21 0.00 0.00 66.02 64.65 2dk6 s SER 2 CO 0.00 -3.43 1.48 -0.24 0.41 0.00 0.00 173.24 171.46 2dk6 n SER 3 N 16.12 0.11 0.00 2.44 2.88 -1.26 -4.89 113.62 129.02 2dk6 n SER 3 Ca 0.43 1.58 0.00 0.00 -1.33 0.00 0.00 58.87 59.55 2dk6 n SER 3 Cb 0.46 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2dk6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk6 n GLY 4 N -1.36 -1.83 3.60 0.46 0.00 -1.26 -5.00 105.19 99.80 2dk6 n GLY 4 Ca 0.29 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 2dk6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk6 n SER 5 N 0.32 -5.27 -4.77 1.61 2.88 -1.26 -4.94 113.62 102.19 2dk6 n SER 5 Ca 0.00 -0.59 -0.39 0.00 -1.33 0.00 0.00 58.87 56.57 2dk6 n SER 5 Cb 0.00 -4.92 -0.01 0.00 -0.75 0.00 0.00 64.21 58.53 2dk6 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk6 s SER 6 N -3.55 6.24 -0.99 -3.46 0.15 -1.26 -3.76 113.70 107.07 2dk6 s SER 6 Ca 0.47 2.52 -0.12 0.00 0.70 0.00 0.00 55.95 59.52 2dk6 s SER 6 Cb -0.21 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.47 2dk6 s SER 6 CO 0.74 -0.88 0.75 0.61 1.20 0.00 0.00 173.24 175.66 2dk6 n GLY 7 N 0.63 -1.12 3.29 9.45 0.00 -1.26 -5.01 105.19 111.17 2dk6 n GLY 7 Ca 0.05 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dk6 s ASN 8 N -3.27 -0.53 -0.09 1.61 3.84 -1.25 -5.16 114.94 110.09 2dk6 s ASN 8 Ca 0.29 0.93 -0.23 0.00 0.21 0.00 0.00 52.86 54.06 2dk6 s ASN 8 Cb -0.10 0.82 0.05 0.00 -0.55 0.00 0.00 41.25 41.48 2dk6 s ASN 8 CO 0.84 -0.20 0.54 -0.70 -2.79 0.00 0.00 177.10 174.79 2dk6 s GLU 9 N 1.45 0.83 -0.87 0.43 2.56 -1.26 -5.06 118.70 116.78 2dk6 s GLU 9 Ca -0.09 0.30 -0.03 0.00 0.00 0.00 0.00 54.97 55.15 2dk6 s GLU 9 Cb -0.08 0.39 0.22 0.00 2.00 0.00 0.00 34.13 36.65 2dk6 s GLU 9 CO -0.13 -0.21 0.76 0.14 -0.56 0.00 0.00 175.26 175.26 2dk6 s VAL 10 N -0.76 4.42 -0.89 3.70 -7.23 -1.26 -4.97 120.40 113.41 2dk6 s VAL 10 Ca -0.08 -3.69 -0.10 0.00 -1.81 0.00 0.00 61.98 56.30 2dk6 s VAL 10 Cb -0.03 -3.75 0.23 0.00 0.56 0.00 0.00 36.38 33.39 2dk6 s VAL 10 CO 0.06 -1.07 0.82 1.51 -0.31 0.00 0.00 175.10 176.11 2dk6 s ASP 11 N 0.12 6.63 0.19 4.85 1.47 -1.26 -5.03 116.67 123.63 2dk6 s ASP 11 Ca 0.26 -3.09 0.11 0.00 1.18 0.00 0.00 52.55 51.01 2dk6 s ASP 11 Cb -0.09 -2.13 -0.04 0.00 -0.34 0.00 0.00 42.92 40.32 2dk6 s ASP 11 CO -0.11 -0.42 -0.22 1.51 0.68 0.00 0.00 175.17 176.61 2dk6 s ASP 12 N 1.46 3.55 0.10 2.11 1.47 -1.26 -5.05 116.67 119.04 2dk6 s ASP 12 Ca 0.22 -0.82 -0.15 0.00 1.18 0.00 0.00 52.55 52.99 2dk6 s ASP 12 Cb -0.11 -0.32 -0.09 0.00 -0.34 0.00 0.00 42.92 42.05 2dk6 s ASP 12 CO -0.08 0.12 1.40 0.24 0.68 0.00 0.00 175.17 177.53 2dk6 h MET 13 N 3.20 0.71 -5.80 2.11 2.86 -2.07 -3.40 114.93 112.55 2dk6 h MET 13 Ca -0.47 -0.41 -0.37 0.00 -2.06 0.00 0.00 59.70 56.40 2dk6 h MET 13 Cb 1.21 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 2dk6 h MET 13 CO 0.48 1.02 0.97 0.34 1.06 0.00 0.00 176.91 180.79 2dk6 s ASP 14 N -6.62 5.12 -0.18 1.22 -1.08 -1.26 -4.93 116.67 108.93 2dk6 s ASP 14 Ca -0.12 -0.20 -0.01 0.00 -0.52 0.00 0.00 52.55 51.69 2dk6 s ASP 14 Cb 0.09 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2dk6 s ASP 14 CO 0.84 -2.65 -0.12 -0.89 0.52 0.00 0.00 175.17 172.86 2dk6 s THR 15 N 9.96 2.82 0.45 1.71 2.01 -1.26 -5.11 115.64 126.21 2dk6 s THR 15 Ca 0.71 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2dk6 s THR 15 Cb -0.10 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.17 2dk6 s THR 15 CO 0.09 0.49 0.10 -0.94 -0.69 0.00 0.00 174.62 173.66 2dk6 s SER 16 N 1.15 3.27 -0.37 3.53 1.04 -1.26 -5.05 113.70 116.00 2dk6 s SER 16 Ca 0.01 -1.70 -0.34 0.00 0.48 0.00 0.00 55.95 54.41 2dk6 s SER 16 Cb -0.14 0.57 -0.14 0.00 0.10 0.00 0.00 66.02 66.40 2dk6 s SER 16 CO -0.04 -0.94 1.44 -0.90 0.98 0.00 0.00 173.24 173.79 2dk6 n ASP 17 N -1.35 0.69 -3.25 7.02 5.75 -1.26 -4.87 116.55 119.27 2dk6 n ASP 17 Ca -0.11 0.65 -0.12 0.00 -0.01 0.00 0.00 54.79 55.20 2dk6 n ASP 17 Cb 0.65 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 2dk6 n ASP 17 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2dk6 s THR 18 N 3.64 0.00 -0.17 2.12 -1.32 -1.26 -5.13 115.64 113.53 2dk6 s THR 18 Ca 0.85 -1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 59.63 2dk6 s THR 18 Cb -1.12 -2.65 -0.02 0.00 -1.51 0.00 0.00 72.50 67.21 2dk6 s THR 18 CO 0.54 0.00 1.32 -1.10 -2.21 0.00 0.00 174.62 173.17 2dk6 s GLN 19 N -2.97 4.18 -0.14 7.08 -0.21 -1.26 -5.01 119.66 121.33 2dk6 s GLN 19 Ca 0.25 1.68 0.01 0.00 0.02 0.00 0.00 55.36 57.32 2dk6 s GLN 19 Cb -0.02 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.18 2dk6 s GLN 19 CO 0.16 -0.78 -0.19 -1.58 -2.12 0.00 0.00 175.29 170.78 2dk6 s TRP 20 N 3.70 2.72 0.15 0.91 0.52 -1.26 -2.33 118.94 123.35 2dk6 s TRP 20 Ca 0.57 -1.15 0.07 0.00 0.02 0.00 0.00 56.10 55.62 2dk6 s TRP 20 Cb -0.23 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2dk6 s TRP 20 CO 0.17 -0.51 -0.15 0.20 0.02 0.00 0.00 176.95 176.68 2dk6 s GLY 21 N 0.75 1.21 0.03 0.98 0.00 -0.48 -4.89 107.32 104.92 2dk6 s GLY 21 Ca -0.07 -1.42 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 2dk6 s GLY 21 CO 0.00 -1.49 0.30 -0.98 0.00 0.00 0.00 173.10 170.93 2dk6 s TRP 22 N -2.39 3.58 0.12 1.90 0.52 -1.26 -1.79 118.94 119.62 2dk6 s TRP 22 Ca 0.14 0.62 0.04 0.00 0.02 0.00 0.00 56.10 56.91 2dk6 s TRP 22 Cb -0.04 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2dk6 s TRP 22 CO 0.04 0.59 -0.09 -0.06 0.02 0.00 0.00 176.95 177.45 2dk6 s PHE 23 N -1.33 1.12 -0.11 -1.98 0.40 0.74 -0.87 117.98 115.95 2dk6 s PHE 23 Ca 0.29 -0.77 -0.05 0.00 -0.60 0.00 0.00 56.93 55.81 2dk6 s PHE 23 Cb -0.13 -0.60 0.05 0.00 0.51 0.00 0.00 43.02 42.85 2dk6 s PHE 23 CO 0.17 0.01 0.23 1.52 0.70 0.00 0.00 175.22 177.85 2dk6 s TYR 24 N -3.18 -0.34 0.90 0.36 1.13 -0.28 -0.97 117.35 114.98 2dk6 s TYR 24 Ca 0.13 0.82 -0.14 0.00 -1.41 0.00 0.00 57.07 56.47 2dk6 s TYR 24 Cb 0.02 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2dk6 s TYR 24 CO -0.01 -0.29 0.41 -0.11 -2.51 0.00 0.00 175.55 173.04 2dk6 n LEU 25 N 4.92 -0.09 -4.17 -3.49 7.94 -0.29 -0.92 117.00 120.91 2dk6 n LEU 25 Ca -0.13 0.39 -0.12 0.00 -1.11 0.00 0.00 56.01 55.04 2dk6 n LEU 25 Cb 0.51 -1.20 -0.10 0.00 0.53 0.00 0.00 43.42 43.16 2dk6 n LEU 25 CO 0.07 -3.56 -0.39 0.00 -1.11 0.00 0.00 177.39 172.40 2dk6 s ALA 26 N -2.26 1.00 0.30 1.96 0.00 -1.21 -4.54 121.76 117.00 2dk6 s ALA 26 Ca 0.59 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2dk6 s ALA 26 Cb -0.24 0.11 0.59 0.00 0.00 0.00 0.00 23.12 23.58 2dk6 s ALA 26 CO 0.65 -0.16 1.85 0.93 0.00 0.00 0.00 175.76 179.03 2dk6 h GLU 27 N 3.21 0.93 -0.49 0.00 5.08 -1.96 0.22 114.58 121.58 2dk6 h GLU 27 Ca -0.36 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2dk6 h GLU 27 Cb 1.18 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2dk6 h GLU 27 CO 0.60 0.62 0.33 0.00 -1.00 0.00 0.00 179.01 179.56 2dk6 n GLY 29 N -1.55 3.45 3.76 0.00 0.00 0.07 -5.09 105.19 105.82 2dk6 n GLY 29 Ca 0.08 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 4.69 0.55 1.61 1.02 -1.26 -4.58 119.74 121.77 2dk6 s LYS 30 Ca 0.00 1.30 -0.18 0.00 0.02 0.00 0.00 55.97 57.11 2dk6 s LYS 30 Cb 0.00 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 2dk6 s LYS 30 CO 0.00 0.53 1.08 -1.58 -0.92 0.00 0.00 175.35 174.46 2dk6 s TRP 31 N -1.10 2.87 -0.15 3.18 0.52 -1.26 -3.34 118.94 119.66 2dk6 s TRP 31 Ca 0.38 1.55 0.02 0.00 0.02 0.00 0.00 56.10 58.07 2dk6 s TRP 31 Cb -0.24 -3.12 0.01 0.00 -1.15 0.00 0.00 33.47 28.96 2dk6 s TRP 31 CO 0.29 -1.19 -0.21 -1.01 0.02 0.00 0.00 176.95 174.85 2dk6 s HIS 32 N -2.07 2.69 -0.09 -1.98 3.76 -0.09 -4.90 115.29 112.61 2dk6 s HIS 32 Ca 0.68 -1.35 -0.30 0.00 -0.15 0.00 0.00 55.06 53.94 2dk6 s HIS 32 Cb -0.19 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 2dk6 s HIS 32 CO 0.28 -0.62 1.29 1.41 -0.85 0.00 0.00 174.74 176.25 2dk6 s MET 33 N 0.87 4.28 -0.42 1.40 1.75 -1.26 -1.13 119.30 124.79 2dk6 s MET 33 Ca -0.06 1.76 -0.45 0.00 -1.25 0.00 0.00 55.69 55.69 2dk6 s MET 33 Cb -0.15 -3.66 -0.18 0.00 2.84 0.00 0.00 34.83 33.67 2dk6 s MET 33 CO -0.03 -0.59 1.65 1.19 -0.65 0.00 0.00 175.02 176.59 2dk6 n PHE 34 N 5.87 1.87 -3.97 4.11 3.01 -0.05 -4.94 117.46 123.36 2dk6 n PHE 34 Ca 0.13 0.93 -0.10 0.00 1.01 0.00 0.00 57.45 59.42 2dk6 n PHE 34 Cb 0.45 -2.31 -0.12 0.00 -0.01 0.00 0.00 39.48 37.49 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 3.21 0.26 0.11 -1.08 -1.52 -1.26 -3.36 119.66 116.02 2dk6 s GLN 35 Ca 1.03 -0.48 -0.31 0.00 -1.95 0.00 0.00 55.36 53.64 2dk6 s GLN 35 Cb -1.35 0.05 -0.08 0.00 -0.22 0.00 0.00 33.01 31.41 2dk6 s GLN 35 CO 0.76 -0.03 1.37 -1.25 -0.25 0.00 0.00 175.29 175.89 2dk6 s PRO 36 N -1.14 4.33 0.23 2.91 0.04 -1.26 -4.64 135.00 135.48 2dk6 s PRO 36 Ca -0.12 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2dk6 s PRO 36 Cb -0.08 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2dk6 s PRO 36 CO -0.01 -0.42 0.36 0.34 0.04 0.00 0.00 177.00 177.32 2dk6 s ASP 37 N 1.11 6.32 0.85 6.66 2.15 -1.26 -4.92 116.67 127.59 2dk6 s ASP 37 Ca 0.64 0.12 -0.16 0.00 0.43 0.00 0.00 52.55 53.58 2dk6 s ASP 37 Cb -0.36 -1.88 -0.07 0.00 -0.30 0.00 0.00 42.92 40.31 2dk6 s ASP 37 CO 0.30 -0.06 -0.07 0.41 -0.17 0.00 0.00 175.17 175.57 2dk6 n THR 38 N -1.28 0.43 -0.14 1.71 -1.04 -1.26 -3.90 114.28 108.80 2dk6 n THR 38 Ca -0.08 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.05 61.50 2dk6 n THR 38 Cb 0.56 -0.34 0.03 0.00 -1.82 0.00 0.00 70.33 68.76 2dk6 n THR 38 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2dk6 h ASN 39 N -0.86 -0.43 -0.95 8.00 2.35 -1.97 1.58 115.58 123.29 2dk6 h ASN 39 Ca -0.44 0.14 0.18 0.00 -0.55 0.00 0.00 56.30 55.63 2dk6 h ASN 39 Cb 1.33 0.29 -0.17 0.00 0.05 0.00 0.00 38.32 39.81 2dk6 h ASN 39 CO 0.33 -0.15 -0.28 0.28 -1.65 0.00 0.00 177.43 175.96 2dk6 h SER 40 N -0.00 -1.02 -0.70 5.81 0.02 -2.00 -1.31 113.55 114.35 2dk6 h SER 40 Ca 0.22 0.29 -0.49 0.00 -0.84 0.00 0.00 61.79 60.97 2dk6 h SER 40 Cb 0.34 0.63 -0.42 0.00 0.14 0.00 0.00 62.40 63.08 2dk6 h SER 40 CO -0.47 -0.31 -0.87 0.00 -1.14 0.00 0.00 176.83 174.03 2dk6 n GLN 41 N -5.57 3.27 -1.07 3.45 6.02 -0.64 -4.86 117.38 117.98 2dk6 n GLN 41 Ca 0.14 -4.05 -0.35 0.00 -0.01 0.00 0.00 57.00 52.72 2dk6 n GLN 41 Cb 0.46 -2.16 0.02 0.00 1.02 0.00 0.00 30.24 29.58 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dk6 s SER 43 N -0.94 1.32 -0.21 0.00 1.04 -1.26 -4.72 113.70 108.92 2dk6 s SER 43 Ca 0.46 -1.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 2dk6 s SER 43 Cb -0.33 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 2dk6 s SER 43 CO 0.69 -1.22 0.46 0.68 0.98 0.00 0.00 173.24 174.83 2dk6 s VAL 44 N -3.14 5.14 0.58 5.02 -7.23 -1.26 -4.52 120.40 114.98 2dk6 s VAL 44 Ca 0.35 0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 61.26 2dk6 s VAL 44 Cb 0.01 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.14 2dk6 s VAL 44 CO 0.24 0.19 0.92 -0.44 -0.31 0.00 0.00 175.10 175.71 2dk6 s SER 45 N 1.19 5.95 0.50 4.85 0.01 -1.26 -4.39 113.70 120.54 2dk6 s SER 45 Ca 0.21 1.02 0.35 0.00 1.31 0.00 0.00 55.95 58.84 2dk6 s SER 45 Cb -0.15 -2.10 1.48 0.00 0.21 0.00 0.00 66.02 65.45 2dk6 s SER 45 CO 0.09 -0.90 1.72 0.77 0.41 0.00 0.00 173.24 175.33 2dk6 h SER 46 N -0.15 0.13 0.03 2.44 4.64 -1.89 0.25 113.55 118.99 2dk6 h SER 46 Ca -0.45 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2dk6 h SER 46 Cb 1.22 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dk6 h SER 46 CO 0.62 -0.02 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.47 2dk6 h GLU 47 N 0.09 -0.04 -0.41 4.77 4.81 -1.91 0.62 114.58 122.51 2dk6 h GLU 47 Ca 0.69 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.99 2dk6 h GLU 47 Cb 2.46 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.78 2dk6 h GLU 47 CO -0.14 0.19 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.89 2dk6 h ASP 48 N -0.26 -0.17 0.33 1.04 5.19 -0.87 -0.18 116.42 121.50 2dk6 h ASP 48 Ca -0.00 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2dk6 h ASP 48 Cb 0.24 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2dk6 h ASP 48 CO 0.01 -0.05 -0.16 0.40 -3.12 0.00 0.00 179.24 176.32 2dk6 h ILE 49 N 0.11 0.00 -1.05 0.35 5.03 -1.43 -2.74 117.51 117.78 2dk6 h ILE 49 Ca 0.20 -0.15 0.41 0.00 -0.12 0.00 0.00 64.86 65.20 2dk6 h ILE 49 Cb 0.29 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 33.91 2dk6 h ILE 49 CO -0.34 0.00 0.59 -0.08 -0.68 0.00 0.00 178.15 177.64 2dk6 h GLU 50 N -0.59 0.04 -0.54 2.37 4.22 -0.83 1.20 114.58 120.45 2dk6 h GLU 50 Ca -0.04 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 2dk6 h GLU 50 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2dk6 h GLU 50 CO 0.07 0.03 0.22 -0.22 -2.18 0.00 0.00 179.01 176.93 2dk6 h LYS 51 N 0.04 0.80 -0.04 1.92 3.64 -0.99 -2.98 116.57 118.95 2dk6 h LYS 51 Ca 0.84 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 60.05 2dk6 h LYS 51 Cb 2.25 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.94 2dk6 h LYS 51 CO -0.71 0.70 -0.09 0.77 -2.27 0.00 0.00 179.45 177.85 2dk6 h SER 52 N 0.73 0.16 -1.17 4.20 0.02 0.16 -3.17 113.55 114.47 2dk6 h SER 52 Ca 0.18 -0.56 0.39 0.00 -0.84 0.00 0.00 61.79 60.95 2dk6 h SER 52 Cb 0.19 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 62.55 2dk6 h SER 52 CO -0.02 0.69 0.72 0.15 -1.14 0.00 0.00 176.83 177.24 2dk6 h PHE 53 N -0.37 0.67 0.77 3.45 3.57 -0.73 -0.25 116.94 124.05 2dk6 h PHE 53 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2dk6 h PHE 53 Cb 0.66 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.24 2dk6 h PHE 53 CO 0.12 -0.21 -0.37 0.87 -2.23 0.00 0.00 178.31 176.49 2dk6 h LYS 54 N 0.16 -1.00 -0.19 1.11 1.57 -1.49 0.39 116.57 117.12 2dk6 h LYS 54 Ca 0.78 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.66 2dk6 h LYS 54 Cb 2.21 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 34.68 2dk6 h LYS 54 CO -0.50 -0.67 -0.53 1.15 -0.57 0.00 0.00 179.45 178.34 2dk6 h THR 55 N -1.05 0.00 -3.07 -0.16 2.02 -1.14 -3.33 112.91 106.17 2dk6 h THR 55 Ca -0.11 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.45 2dk6 h THR 55 Cb 0.79 0.00 -0.41 0.00 -1.74 0.00 0.00 68.15 66.80 2dk6 h THR 55 CO 0.17 0.00 -0.68 0.54 0.37 0.00 0.00 175.52 175.92 2dk6 s ASN 56 N -4.82 3.95 0.29 4.18 4.22 -0.83 -4.93 114.94 117.00 2dk6 s ASN 56 Ca -0.15 -3.10 0.25 0.00 -2.14 0.00 0.00 52.86 47.72 2dk6 s ASN 56 Cb 0.07 -1.31 1.03 0.00 1.28 0.00 0.00 41.25 42.32 2dk6 s ASN 56 CO 0.59 -0.20 1.74 1.55 -2.04 0.00 0.00 177.10 178.74 2dk6 h PRO 57 N 6.22 0.00 -0.45 3.55 0.13 -1.02 -2.89 132.00 137.53 2dk6 h PRO 57 Ca 0.03 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.85 2dk6 h PRO 57 Cb 0.87 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.77 2dk6 h PRO 57 CO 0.59 0.00 -0.53 0.00 -0.23 0.00 0.00 178.00 177.84 2dk6 n GLY 59 N -0.92 3.84 3.71 0.00 0.00 -1.09 -4.59 105.19 106.14 2dk6 n GLY 59 Ca 0.35 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 1.00 -0.30 -0.13 1.61 1.04 -1.26 -1.43 113.70 114.23 2dk6 s SER 60 Ca 0.00 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 2dk6 s SER 60 Cb 0.00 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.73 2dk6 s SER 60 CO 0.00 -1.04 -0.08 -0.51 0.98 0.00 0.00 173.24 172.58 2dk6 s ILE 61 N -3.58 1.16 -0.11 -1.02 2.07 -0.48 -4.97 121.20 114.27 2dk6 s ILE 61 Ca 0.09 -0.44 -0.05 0.00 -1.41 0.00 0.00 60.65 58.84 2dk6 s ILE 61 Cb -0.03 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 2dk6 s ILE 61 CO 0.00 0.33 0.10 -0.94 -1.91 0.00 0.00 174.94 172.52 2dk6 s SER 62 N 1.65 6.05 0.23 4.50 1.04 -1.26 -2.09 113.70 123.82 2dk6 s SER 62 Ca 0.04 0.37 -0.21 0.00 0.48 0.00 0.00 55.95 56.63 2dk6 s SER 62 Cb -0.13 -1.89 0.07 0.00 0.10 0.00 0.00 66.02 64.16 2dk6 s SER 62 CO -0.09 0.39 0.96 0.72 0.98 0.00 0.00 173.24 176.21 2dk6 s PHE 63 N -1.00 0.05 0.02 5.02 -0.71 -1.13 -5.03 117.98 115.19 2dk6 s PHE 63 Ca 0.15 -0.51 -0.03 0.00 -1.04 0.00 0.00 56.93 55.51 2dk6 s PHE 63 Cb -0.12 0.73 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 2dk6 s PHE 63 CO 0.04 -1.07 0.03 0.95 -1.34 0.00 0.00 175.22 173.82 2dk6 s THR 64 N -2.39 0.10 0.04 -4.49 -4.23 -1.26 -2.06 115.64 101.35 2dk6 s THR 64 Ca 0.19 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2dk6 s THR 64 Cb -0.03 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.45 2dk6 s THR 64 CO 0.06 -0.47 0.00 0.35 -0.54 0.00 0.00 174.62 174.02 2dk6 n THR 65 N 1.49 0.13 -3.90 3.99 -2.24 -1.21 -5.02 114.28 107.53 2dk6 n THR 65 Ca -0.23 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 2dk6 n THR 65 Cb 0.55 -0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 68.05 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 -4.71 4.86 -0.61 3.42 0.01 -1.26 -4.80 113.70 110.61 2dk6 s SER 66 Ca 0.00 -2.43 -0.08 0.00 1.31 0.00 0.00 55.95 54.75 2dk6 s SER 66 Cb 0.00 -1.72 0.08 0.00 0.21 0.00 0.00 66.02 64.59 2dk6 s SER 66 CO 0.00 -0.39 0.19 2.29 0.41 0.00 0.00 173.24 175.75 2dk6 n LYS 67 N 3.96 -1.52 -4.08 12.44 2.85 -1.26 -4.79 118.16 125.75 2dk6 n LYS 67 Ca 0.03 0.05 -0.10 0.00 -1.05 0.00 0.00 58.31 57.23 2dk6 n LYS 67 Cb 0.39 -2.92 -0.08 0.00 -0.65 0.00 0.00 35.03 31.78 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 -1.86 0.72 0.13 5.58 0.08 -1.26 -5.07 117.98 116.30 2dk6 s PHE 68 Ca 0.27 -1.03 0.07 0.00 0.12 0.00 0.00 56.93 56.37 2dk6 s PHE 68 Cb -0.16 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 2dk6 s PHE 68 CO 0.33 -0.78 -0.16 -1.12 -0.10 0.00 0.00 175.22 173.39 2dk6 s SER 69 N -3.07 2.29 -0.10 1.36 0.01 -1.26 -3.33 113.70 109.60 2dk6 s SER 69 Ca 0.28 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.69 2dk6 s SER 69 Cb 0.04 -0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.21 2dk6 s SER 69 CO 0.08 -0.08 0.23 -0.31 0.41 0.00 0.00 173.24 173.57 2dk6 s TYR 70 N -1.97 -0.31 -0.40 2.43 2.02 -0.87 -3.45 117.35 114.79 2dk6 s TYR 70 Ca 0.11 0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 57.55 2dk6 s TYR 70 Cb -0.06 -0.01 0.11 0.00 -0.40 0.00 0.00 41.96 41.60 2dk6 s TYR 70 CO 0.04 -0.25 0.18 0.21 -1.57 0.00 0.00 175.55 174.17 2dk6 s LYS 71 N 1.54 1.96 -0.51 -0.62 2.20 0.21 -2.85 119.74 121.67 2dk6 s LYS 71 Ca -0.06 -1.81 -0.22 0.00 -0.36 0.00 0.00 55.97 53.52 2dk6 s LYS 71 Cb -0.11 -3.54 0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2dk6 s LYS 71 CO -0.08 -1.05 0.80 0.42 -0.36 0.00 0.00 175.35 175.09 2dk6 s ILE 72 N 1.12 4.61 0.01 5.43 1.01 -0.89 0.10 121.20 132.60 2dk6 s ILE 72 Ca 0.08 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 2dk6 s ILE 72 Cb -0.22 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 2dk6 s ILE 72 CO -0.04 -0.92 0.72 -1.81 0.00 0.00 0.00 174.94 172.89 2dk6 s ASP 73 N 2.61 7.13 -0.19 3.58 1.01 -0.42 -1.39 116.67 129.00 2dk6 s ASP 73 Ca 0.25 1.35 -0.15 0.00 0.71 0.00 0.00 52.55 54.71 2dk6 s ASP 73 Cb -0.14 -2.44 -0.21 0.00 1.01 0.00 0.00 42.92 41.14 2dk6 s ASP 73 CO 0.18 0.00 0.21 0.49 0.21 0.00 0.00 175.17 176.26 2dk6 n PHE 74 N 2.98 0.99 -0.35 4.23 3.72 -0.51 -2.23 117.46 126.29 2dk6 n PHE 74 Ca -0.03 0.33 0.03 0.00 -0.05 0.00 0.00 57.45 57.73 2dk6 n PHE 74 Cb 0.51 -1.11 0.20 0.00 -0.94 0.00 0.00 39.48 38.13 2dk6 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dk6 h ALA 75 N -0.33 1.44 -0.00 4.37 0.00 -1.60 0.29 119.26 123.43 2dk6 h ALA 75 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dk6 h ALA 75 Cb 1.60 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dk6 h ALA 75 CO -0.12 0.42 -0.15 0.39 0.00 0.00 0.00 179.25 179.79 2dk6 n GLU 76 N -4.49 0.15 -3.74 0.00 1.02 -1.26 -4.94 120.64 107.38 2dk6 n GLU 76 Ca 0.15 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 2dk6 n GLU 76 Cb 0.18 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.39 -5.22 -3.44 3.49 2.81 0.09 -4.97 117.12 108.49 2dk6 n MET 77 Ca 0.08 0.63 -0.12 0.00 -1.81 0.00 0.00 57.70 56.48 2dk6 n MET 77 Cb 0.32 -5.30 -0.03 0.00 -0.71 0.00 0.00 33.22 27.51 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 -6.13 1.22 -0.31 0.03 -2.85 -0.95 -3.42 119.74 107.33 2dk6 s LYS 78 Ca 0.18 -0.37 -0.13 0.00 -1.00 0.00 0.00 55.97 54.66 2dk6 s LYS 78 Cb -0.09 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 2dk6 s LYS 78 CO 0.81 -0.52 0.27 -1.14 0.10 0.00 0.00 175.35 174.88 2dk6 s GLN 79 N -3.39 3.72 -0.40 1.78 0.74 -0.81 -1.30 119.66 120.01 2dk6 s GLN 79 Ca -0.00 -0.39 -0.22 0.00 0.05 0.00 0.00 55.36 54.80 2dk6 s GLN 79 Cb -0.01 -3.74 0.02 0.00 1.10 0.00 0.00 33.01 30.38 2dk6 s GLN 79 CO -0.10 -0.36 0.71 1.41 -0.55 0.00 0.00 175.29 176.40 2dk6 s MET 80 N 1.86 3.53 0.23 1.67 -2.45 0.28 -2.58 119.30 121.85 2dk6 s MET 80 Ca 0.09 -0.03 -0.23 0.00 -1.25 0.00 0.00 55.69 54.27 2dk6 s MET 80 Cb -0.17 -3.88 -0.09 0.00 1.25 0.00 0.00 34.83 31.95 2dk6 s MET 80 CO 0.11 -0.93 0.80 1.21 1.05 0.00 0.00 175.02 177.26 2dk6 s ASN 81 N 1.95 7.23 -0.06 1.11 3.84 -0.77 -0.61 114.94 127.62 2dk6 s ASN 81 Ca 0.27 1.60 -0.00 0.00 0.21 0.00 0.00 52.86 54.94 2dk6 s ASN 81 Cb -0.13 -2.49 -0.04 0.00 -0.55 0.00 0.00 41.25 38.04 2dk6 s ASN 81 CO 0.18 0.05 -0.06 0.18 -2.79 0.00 0.00 177.10 174.67 2dk6 n LEU 82 N 0.92 2.53 -0.20 3.21 7.99 -1.23 -3.40 117.00 126.82 2dk6 n LEU 82 Ca -0.02 -0.01 -0.06 0.00 -0.01 0.00 0.00 56.01 55.90 2dk6 n LEU 82 Cb 0.50 -0.22 0.03 0.00 -0.11 0.00 0.00 43.42 43.63 2dk6 n LEU 82 CO 0.44 0.52 1.11 0.00 -1.51 0.00 0.00 177.39 177.96 2dk6 h THR 83 N -0.04 1.15 0.00 -5.08 1.03 -1.94 -3.27 112.91 104.75 2dk6 h THR 83 Ca -0.15 -0.26 -0.13 0.00 -0.01 0.00 0.00 66.41 65.86 2dk6 h THR 83 Cb 1.21 0.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.57 2dk6 h THR 83 CO -0.04 0.14 -1.77 0.35 -0.01 0.00 0.00 175.52 174.20 2dk6 n THR 84 N -4.69 0.50 -0.77 0.00 -2.24 -1.26 -5.00 114.28 100.81 2dk6 n THR 84 Ca 0.04 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2dk6 n THR 84 Cb 0.02 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 2.00 0.70 3.79 3.38 0.00 -1.22 -5.04 105.19 108.81 2dk6 n GLY 85 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.23 1.02 0.11 1.61 3.01 -1.26 -4.74 119.74 119.26 2dk6 s LYS 86 Ca 0.00 0.20 0.08 0.00 -1.01 0.00 0.00 55.97 55.24 2dk6 s LYS 86 Cb 0.00 -1.83 -0.04 0.00 -1.01 0.00 0.00 37.83 34.95 2dk6 s LYS 86 CO 0.00 -2.26 -0.18 -0.65 0.51 0.00 0.00 175.35 172.76 2dk6 s GLN 87 N -5.35 1.10 0.23 1.68 -0.21 -1.26 -1.85 119.66 113.99 2dk6 s GLN 87 Ca 0.65 -1.19 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 2dk6 s GLN 87 Cb -0.13 -1.23 -0.03 0.00 1.00 0.00 0.00 33.01 32.62 2dk6 s GLN 87 CO 0.53 0.27 0.27 1.03 -2.12 0.00 0.00 175.29 175.28 2dk6 s ARG 88 N -2.16 1.38 0.23 2.91 0.52 -1.06 -5.00 118.95 115.78 2dk6 s ARG 88 Ca 0.07 -1.53 0.08 0.00 -0.52 0.00 0.00 55.73 53.83 2dk6 s ARG 88 Cb -0.08 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 2dk6 s ARG 88 CO 0.04 -0.51 0.10 -0.51 0.02 0.00 0.00 175.30 174.45 2dk6 s LEU 89 N -3.13 3.56 -0.01 2.53 2.01 -1.26 -1.92 118.68 120.46 2dk6 s LEU 89 Ca 0.33 -0.37 -0.04 0.00 0.01 0.00 0.00 54.13 54.06 2dk6 s LEU 89 Cb 0.04 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 44.12 2dk6 s LEU 89 CO 0.12 0.00 0.09 0.27 1.01 0.00 0.00 176.35 177.85 2dk6 s ILE 90 N -2.09 0.05 0.04 -0.59 -4.36 -1.22 -1.14 121.20 111.89 2dk6 s ILE 90 Ca 0.31 -0.44 -0.12 0.00 -0.26 0.00 0.00 60.65 60.15 2dk6 s ILE 90 Cb -0.08 -0.28 0.01 0.00 1.25 0.00 0.00 42.46 43.36 2dk6 s ILE 90 CO 0.22 -0.24 0.25 -1.59 0.24 0.00 0.00 174.94 173.82 2dk6 s LYS 91 N -0.79 0.75 -0.37 0.37 -2.85 -0.14 -4.74 119.74 111.96 2dk6 s LYS 91 Ca -0.09 -0.55 -0.00 0.00 -1.00 0.00 0.00 55.97 54.33 2dk6 s LYS 91 Cb -0.05 0.32 0.10 0.00 -2.06 0.00 0.00 37.83 36.13 2dk6 s LYS 91 CO 0.00 -0.23 0.12 0.50 0.10 0.00 0.00 175.35 175.85 2dk6 s ARG 92 N -2.51 1.87 0.13 1.78 3.52 -1.26 -0.18 118.95 122.29 2dk6 s ARG 92 Ca -0.05 -1.77 0.07 0.00 -0.13 0.00 0.00 55.73 53.84 2dk6 s ARG 92 Cb -0.01 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2dk6 s ARG 92 CO -0.03 -0.97 -0.15 0.00 -0.81 0.00 0.00 175.30 173.34 2dk6 s ALA 93 N 1.07 1.64 0.59 6.12 0.00 -0.74 -4.95 121.76 125.49 2dk6 s ALA 93 Ca 0.07 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 2dk6 s ALA 93 Cb -0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2dk6 s ALA 93 CO -0.05 0.15 1.12 -1.25 0.00 0.00 0.00 175.76 175.73 2dk6 s PRO 94 N -2.66 3.12 -0.18 0.00 0.04 -1.26 -1.38 135.00 132.69 2dk6 s PRO 94 Ca 0.10 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.67 2dk6 s PRO 94 Cb -0.05 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2dk6 s PRO 94 CO 0.04 -1.02 -0.19 -0.59 0.04 0.00 0.00 177.00 175.28 2dk6 s PHE 95 N -2.01 2.80 -0.24 0.56 -0.71 -0.98 -4.79 117.98 112.61 2dk6 s PHE 95 Ca 0.70 -1.63 -0.29 0.00 -1.04 0.00 0.00 56.93 54.68 2dk6 s PHE 95 Cb -0.22 -1.93 0.16 0.00 -1.21 0.00 0.00 43.02 39.82 2dk6 s PHE 95 CO 0.33 -0.80 1.20 -1.54 -1.34 0.00 0.00 175.22 173.07 2dk6 s SER 96 N 1.30 -0.20 0.20 1.98 1.04 -1.26 -4.75 113.70 112.01 2dk6 s SER 96 Ca 0.05 0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.55 2dk6 s SER 96 Cb -0.13 0.21 0.18 0.00 0.10 0.00 0.00 66.02 66.39 2dk6 s SER 96 CO -0.12 -0.16 1.58 -1.28 0.98 0.00 0.00 173.24 174.24 2dk6 h SER 97 N 2.55 -1.14 0.00 7.02 0.87 -2.03 -3.48 113.55 117.34 2dk6 h SER 97 Ca -0.16 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2dk6 h SER 97 Cb 1.18 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2dk6 h SER 97 CO 0.24 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 2dk6 n GLY 98 N -1.46 0.14 3.77 5.77 0.00 -1.26 -5.02 105.19 107.14 2dk6 n GLY 98 Ca 0.07 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 2dk6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk6 s PRO 99 N -2.00 3.86 0.03 1.61 0.04 -1.26 -4.94 135.00 132.33 2dk6 s PRO 99 Ca 0.00 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 2dk6 s PRO 99 Cb 0.00 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2dk6 s PRO 99 CO 0.00 -0.48 1.92 -1.12 0.04 0.00 0.00 177.00 177.36 2dk6 s SER 100 N -1.27 6.48 -1.36 6.66 0.01 -1.26 -2.74 113.70 120.22 2dk6 s SER 100 Ca 0.61 2.62 -0.13 0.00 1.31 0.00 0.00 55.95 60.36 2dk6 s SER 100 Cb -0.30 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.53 2dk6 s SER 100 CO 0.36 -1.03 0.33 -1.54 0.41 0.00 0.00 173.24 171.77 2dk6 n SER 101 N 7.36 -0.81 0.00 2.44 3.41 -1.26 -5.31 113.62 119.45 2dk6 n SER 101 Ca 0.19 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2dk6 n SER 101 Cb 0.41 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49