#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 h SER 2 N 0.00 0.00 -2.98 1.61 0.87 -2.10 -3.45 113.55 107.50 2dk6 h SER 2 Ca 0.00 -0.05 -0.57 0.00 -1.23 0.00 0.00 61.79 59.95 2dk6 h SER 2 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2dk6 h SER 2 CO 0.00 0.67 1.02 -0.44 -0.53 0.00 0.00 176.83 177.55 2dk6 s SER 3 N -5.70 6.60 0.05 6.23 0.01 -1.26 -4.66 113.70 114.97 2dk6 s SER 3 Ca -0.09 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2dk6 s SER 3 Cb 0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dk6 s SER 3 CO 0.15 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2dk6 n GLY 4 N 4.35 -3.63 0.12 3.44 0.00 -1.26 -4.89 105.19 103.33 2dk6 n GLY 4 Ca 0.16 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.25 1.92 -2.27 1.61 2.88 -1.26 -4.56 113.62 111.69 2dk6 n SER 5 Ca 0.00 0.37 -0.28 0.00 -1.33 0.00 0.00 58.87 57.62 2dk6 n SER 5 Cb 0.00 -0.88 0.03 0.00 -0.75 0.00 0.00 64.21 62.61 2dk6 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dk6 n SER 6 N -4.31 5.69 -0.74 -3.46 7.64 -1.26 -5.03 113.62 112.14 2dk6 n SER 6 Ca -0.45 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 55.67 2dk6 n SER 6 Cb 0.80 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2dk6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk6 n GLY 7 N -0.68 -4.01 3.66 0.23 0.00 -1.26 -4.82 105.19 98.31 2dk6 n GLY 7 Ca 0.48 -0.74 -0.59 0.00 0.00 0.00 0.00 46.02 45.17 2dk6 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dk6 n ASN 8 N 0.05 1.66 -0.72 1.61 4.05 -1.26 -4.84 115.26 115.81 2dk6 n ASN 8 Ca 0.00 1.12 0.06 0.00 0.45 0.00 0.00 54.58 56.21 2dk6 n ASN 8 Cb 0.00 -1.07 0.18 0.00 1.23 0.00 0.00 39.78 40.12 2dk6 n ASN 8 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2dk6 n GLU 9 N 3.92 2.89 -5.24 1.20 4.71 -1.26 -4.96 120.64 121.91 2dk6 n GLU 9 Ca 0.25 -2.18 -0.32 0.00 -0.01 0.00 0.00 57.16 54.90 2dk6 n GLU 9 Cb 0.10 -1.36 -0.16 0.00 -1.01 0.00 0.00 31.44 29.00 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2dk6 s VAL 10 N -1.22 2.10 0.83 2.62 -7.23 -1.26 -4.97 120.40 111.27 2dk6 s VAL 10 Ca 0.27 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.25 2dk6 s VAL 10 Cb 0.16 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2dk6 s VAL 10 CO 0.16 0.57 0.39 -0.67 -0.31 0.00 0.00 175.10 175.24 2dk6 n ASP 11 N 3.07 -1.89 -4.48 4.85 2.03 -1.26 -4.96 116.55 113.90 2dk6 n ASP 11 Ca -0.18 0.46 -0.29 0.00 0.52 0.00 0.00 54.79 55.30 2dk6 n ASP 11 Cb 0.52 -1.18 0.19 0.00 -0.72 0.00 0.00 41.12 39.93 2dk6 n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dk6 s ASP 12 N -1.65 2.32 -0.88 1.67 2.15 -1.26 -4.94 116.67 114.07 2dk6 s ASP 12 Ca 0.60 0.98 -0.21 0.00 0.43 0.00 0.00 52.55 54.35 2dk6 s ASP 12 Cb -0.29 -1.52 0.09 0.00 -0.30 0.00 0.00 42.92 40.90 2dk6 s ASP 12 CO 0.63 -3.30 1.19 -0.04 -0.17 0.00 0.00 175.17 173.48 2dk6 s MET 13 N -5.14 3.45 -0.30 4.34 -1.94 -1.26 -4.81 119.30 113.64 2dk6 s MET 13 Ca 0.67 -1.26 0.08 0.00 -1.71 0.00 0.00 55.69 53.47 2dk6 s MET 13 Cb -0.16 -4.82 0.46 0.00 2.01 0.00 0.00 34.83 32.33 2dk6 s MET 13 CO 0.56 -1.93 1.17 -0.25 -0.01 0.00 0.00 175.02 174.57 2dk6 n ASP 14 N 7.64 4.57 -4.09 3.03 9.92 -1.26 -5.04 116.55 131.32 2dk6 n ASP 14 Ca 0.18 -3.58 -0.09 0.00 -0.53 0.00 0.00 54.79 50.78 2dk6 n ASP 14 Cb 0.49 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 2dk6 n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2dk6 s THR 15 N -4.60 0.35 -0.14 -3.53 -1.32 -1.26 -5.07 115.64 100.06 2dk6 s THR 15 Ca 0.48 -1.62 -0.17 0.00 -1.21 0.00 0.00 61.69 59.17 2dk6 s THR 15 Cb 0.40 -1.27 -0.24 0.00 -1.51 0.00 0.00 72.50 69.88 2dk6 s THR 15 CO 0.01 -0.83 0.42 -1.28 -2.21 0.00 0.00 174.62 170.73 2dk6 h SER 16 N 3.48 0.24 -0.32 8.08 0.87 -2.04 -3.43 113.55 120.43 2dk6 h SER 16 Ca -0.34 -0.77 -0.00 0.00 -1.23 0.00 0.00 61.79 59.45 2dk6 h SER 16 Cb 1.16 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2dk6 h SER 16 CO 0.59 1.59 0.00 -0.67 -0.53 0.00 0.00 176.83 177.81 2dk6 n ASP 17 N -4.05 1.78 -3.64 6.23 -0.08 -1.26 -4.80 116.55 110.73 2dk6 n ASP 17 Ca -0.28 -1.58 -0.06 0.00 -1.51 0.00 0.00 54.79 51.36 2dk6 n ASP 17 Cb 0.83 -1.68 -0.07 0.00 2.34 0.00 0.00 41.12 42.55 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2dk6 s THR 18 N 15.15 0.00 -0.09 5.18 2.01 -1.26 -5.14 115.64 131.48 2dk6 s THR 18 Ca 0.92 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.64 2dk6 s THR 18 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2dk6 s THR 18 CO 0.09 0.00 0.93 -1.10 -0.69 0.00 0.00 174.62 173.85 2dk6 s GLN 19 N 1.31 4.43 -0.36 4.92 -0.21 -1.26 -5.03 119.66 123.46 2dk6 s GLN 19 Ca -0.08 1.26 -0.10 0.00 0.02 0.00 0.00 55.36 56.45 2dk6 s GLN 19 Cb -0.04 -3.52 0.02 0.00 1.00 0.00 0.00 33.01 30.46 2dk6 s GLN 19 CO -0.15 -0.22 0.19 -1.58 -2.12 0.00 0.00 175.29 171.41 2dk6 s TRP 20 N 1.68 3.23 0.54 0.91 0.52 -1.26 -3.36 118.94 121.19 2dk6 s TRP 20 Ca 0.46 -0.88 -0.00 0.00 0.02 0.00 0.00 56.10 55.69 2dk6 s TRP 20 Cb -0.18 -2.41 0.02 0.00 -1.15 0.00 0.00 33.47 29.75 2dk6 s TRP 20 CO 0.19 -0.60 0.77 0.20 0.02 0.00 0.00 176.95 177.53 2dk6 s GLY 21 N 1.56 1.71 -0.03 0.98 0.00 0.19 -4.86 107.32 106.87 2dk6 s GLY 21 Ca 0.03 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.66 2dk6 s GLY 21 CO 0.06 -0.89 -0.25 -0.98 0.00 0.00 0.00 173.10 171.04 2dk6 s TRP 22 N -2.76 2.39 0.09 1.90 0.52 -1.26 -1.63 118.94 118.19 2dk6 s TRP 22 Ca 0.54 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 56.22 2dk6 s TRP 22 Cb -0.10 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 2dk6 s TRP 22 CO 0.39 -0.07 -0.14 -0.06 0.02 0.00 0.00 176.95 177.09 2dk6 s PHE 23 N -0.49 1.30 -0.06 -1.98 0.40 -0.71 -2.16 117.98 114.29 2dk6 s PHE 23 Ca 0.06 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.87 2dk6 s PHE 23 Cb -0.11 -0.71 0.04 0.00 0.51 0.00 0.00 43.02 42.75 2dk6 s PHE 23 CO 0.00 0.09 0.11 1.52 0.70 0.00 0.00 175.22 177.65 2dk6 s TYR 24 N -1.64 -0.08 0.19 0.36 1.13 -1.20 -1.43 117.35 114.68 2dk6 s TYR 24 Ca 0.03 0.42 -0.32 0.00 -1.41 0.00 0.00 57.07 55.78 2dk6 s TYR 24 Cb -0.08 -0.28 -0.15 0.00 -1.10 0.00 0.00 41.96 40.35 2dk6 s TYR 24 CO 0.02 -0.20 1.29 -0.11 -2.51 0.00 0.00 175.55 174.04 2dk6 n LEU 25 N 4.91 2.21 -5.00 -3.49 7.94 0.20 -2.23 117.00 121.53 2dk6 n LEU 25 Ca -0.12 1.14 -0.22 0.00 -1.11 0.00 0.00 56.01 55.69 2dk6 n LEU 25 Cb 0.50 -1.30 0.09 0.00 0.53 0.00 0.00 43.42 43.23 2dk6 n LEU 25 CO 0.10 -0.93 0.46 0.00 -1.11 0.00 0.00 177.39 175.92 2dk6 s ALA 26 N -0.04 4.06 0.04 1.96 0.00 -1.16 -4.49 121.76 122.13 2dk6 s ALA 26 Ca 0.72 -1.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 2dk6 s ALA 26 Cb -0.77 -1.83 -0.25 0.00 0.00 0.00 0.00 23.12 20.27 2dk6 s ALA 26 CO 0.50 -1.20 1.12 1.49 0.00 0.00 0.00 175.76 177.68 2dk6 h GLU 27 N -0.24 0.58 -0.13 0.00 4.81 -1.94 -3.22 114.58 114.44 2dk6 h GLU 27 Ca -0.35 -0.68 0.02 0.00 -0.13 0.00 0.00 59.36 58.22 2dk6 h GLU 27 Cb 1.28 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 2dk6 h GLU 27 CO 0.41 1.28 0.09 0.00 -0.73 0.00 0.00 179.01 180.05 2dk6 n GLY 29 N -1.54 4.12 3.74 0.00 0.00 -1.22 -5.11 105.19 105.18 2dk6 n GLY 29 Ca -0.01 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 4.75 0.33 1.61 -0.14 -1.26 -4.54 119.74 120.49 2dk6 s LYS 30 Ca 0.00 1.49 -0.28 0.00 -1.36 0.00 0.00 55.97 55.83 2dk6 s LYS 30 Cb 0.00 -3.33 -0.09 0.00 -1.68 0.00 0.00 37.83 32.73 2dk6 s LYS 30 CO 0.00 0.32 1.11 -1.58 -0.76 0.00 0.00 175.35 174.45 2dk6 s TRP 31 N -0.51 3.40 -0.24 3.18 0.52 -1.26 -2.97 118.94 121.06 2dk6 s TRP 31 Ca 0.45 1.65 0.02 0.00 0.02 0.00 0.00 56.10 58.23 2dk6 s TRP 31 Cb -0.25 -3.29 0.05 0.00 -1.15 0.00 0.00 33.47 28.82 2dk6 s TRP 31 CO 0.31 -0.77 -0.13 -1.01 0.02 0.00 0.00 176.95 175.37 2dk6 s HIS 32 N -1.31 3.10 0.01 -1.98 3.76 -0.94 -4.88 115.29 113.06 2dk6 s HIS 32 Ca 0.50 -2.05 -0.30 0.00 -0.15 0.00 0.00 55.06 53.05 2dk6 s HIS 32 Cb -0.30 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.37 2dk6 s HIS 32 CO 0.39 -0.85 1.86 1.41 -0.85 0.00 0.00 174.74 176.70 2dk6 s MET 33 N 1.18 4.15 -0.01 1.40 1.75 -1.26 -3.24 119.30 123.27 2dk6 s MET 33 Ca -0.04 2.48 -0.37 0.00 -1.25 0.00 0.00 55.69 56.51 2dk6 s MET 33 Cb -0.18 -4.07 -0.18 0.00 2.84 0.00 0.00 34.83 33.24 2dk6 s MET 33 CO -0.07 -0.91 0.99 1.19 -0.65 0.00 0.00 175.02 175.56 2dk6 n PHE 34 N 7.30 0.61 -4.80 4.11 3.01 -0.92 -4.95 117.46 121.82 2dk6 n PHE 34 Ca 0.19 0.97 -0.26 0.00 1.01 0.00 0.00 57.45 59.36 2dk6 n PHE 34 Cb 0.41 -1.91 -0.15 0.00 -0.01 0.00 0.00 39.48 37.82 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 0.07 1.48 0.38 -1.08 -1.52 -1.26 -3.79 119.66 113.95 2dk6 s GLN 35 Ca 0.84 -0.80 -0.26 0.00 -1.95 0.00 0.00 55.36 53.18 2dk6 s GLN 35 Cb -1.17 -1.50 -0.09 0.00 -0.22 0.00 0.00 33.01 30.04 2dk6 s GLN 35 CO 0.53 0.40 1.20 -1.25 -0.25 0.00 0.00 175.29 175.92 2dk6 s PRO 36 N -0.77 4.15 0.04 2.91 0.04 -1.25 -4.49 135.00 135.63 2dk6 s PRO 36 Ca 0.07 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.94 2dk6 s PRO 36 Cb -0.08 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.66 2dk6 s PRO 36 CO 0.00 -0.26 0.21 -0.51 0.04 0.00 0.00 177.00 176.48 2dk6 s ASP 37 N -0.96 0.00 0.00 6.66 1.11 -1.25 -4.96 116.67 117.28 2dk6 s ASP 37 Ca 0.54 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.95 2dk6 s ASP 37 Cb -0.33 0.30 0.00 0.00 1.07 0.00 0.00 42.92 43.96 2dk6 s ASP 37 CO 0.42 -0.56 0.00 0.35 1.18 0.00 0.00 175.17 176.56 2dk6 n THR 38 N 0.71 0.00 -0.08 -1.27 -2.24 -1.26 -4.11 114.28 106.02 2dk6 n THR 38 Ca -0.19 0.36 -0.17 0.00 -2.27 0.00 0.00 64.05 61.78 2dk6 n THR 38 Cb 0.59 -1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 2dk6 n THR 38 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2dk6 n ASN 39 N -2.48 1.21 0.00 3.42 4.13 -1.26 -3.63 115.26 116.65 2dk6 n ASN 39 Ca 0.00 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.44 2dk6 n ASN 39 Cb 0.00 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 2dk6 n ASN 39 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2dk6 n SER 40 N -3.67 0.00 -0.02 6.41 7.64 -1.26 -3.28 113.62 119.44 2dk6 n SER 40 Ca -0.31 0.70 0.04 0.00 1.01 0.00 0.00 58.87 60.31 2dk6 n SER 40 Cb 0.73 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 2dk6 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk6 n GLN 41 N -2.43 4.19 -1.77 1.43 6.02 -1.26 -4.97 117.38 118.59 2dk6 n GLN 41 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2dk6 n GLN 41 Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dk6 n SER 43 N -0.42 -1.04 -4.93 0.00 2.88 -1.26 -4.86 113.62 103.99 2dk6 n SER 43 Ca 0.00 -0.87 -0.25 0.00 -1.33 0.00 0.00 58.87 56.42 2dk6 n SER 43 Cb 0.27 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.86 5.15 0.11 2.46 -7.23 -1.26 -3.90 120.40 113.87 2dk6 s VAL 44 Ca 0.28 -0.42 -0.10 0.00 -1.81 0.00 0.00 61.98 59.93 2dk6 s VAL 44 Cb -0.02 -3.80 -0.06 0.00 0.56 0.00 0.00 36.38 33.06 2dk6 s VAL 44 CO 0.21 -0.36 0.44 -0.44 -0.31 0.00 0.00 175.10 174.64 2dk6 s SER 45 N -3.60 6.66 0.57 4.85 0.01 -1.26 -3.97 113.70 116.96 2dk6 s SER 45 Ca 0.39 0.84 0.40 0.00 1.31 0.00 0.00 55.95 58.88 2dk6 s SER 45 Cb -0.10 -2.19 1.45 0.00 0.21 0.00 0.00 66.02 65.38 2dk6 s SER 45 CO 0.32 0.12 1.55 0.77 0.41 0.00 0.00 173.24 176.40 2dk6 h SER 46 N 3.46 0.00 0.04 2.44 4.64 -1.87 0.51 113.55 122.77 2dk6 h SER 46 Ca -0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2dk6 h SER 46 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dk6 h SER 46 CO 0.67 0.00 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.53 2dk6 h GLU 47 N 0.00 -0.05 -0.28 4.77 4.81 -1.92 -3.00 114.58 118.91 2dk6 h GLU 47 Ca 0.70 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.97 2dk6 h GLU 47 Cb 3.13 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 32.46 2dk6 h GLU 47 CO -0.01 0.61 -0.37 -0.44 -0.73 0.00 0.00 179.01 178.07 2dk6 h ASP 48 N -0.80 -1.25 -0.39 1.04 3.32 -0.35 0.23 116.42 118.22 2dk6 h ASP 48 Ca -0.01 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.29 2dk6 h ASP 48 Cb 0.68 0.51 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 2dk6 h ASP 48 CO 0.01 -0.27 -0.25 0.40 -1.72 0.00 0.00 179.24 177.41 2dk6 h ILE 49 N -0.26 0.33 0.18 0.35 2.04 -1.66 -2.54 117.51 115.95 2dk6 h ILE 49 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2dk6 h ILE 49 Cb 0.40 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2dk6 h ILE 49 CO -0.40 0.00 -0.46 -0.08 0.00 0.00 0.00 178.15 177.21 2dk6 h GLU 50 N -0.19 -0.68 -1.75 2.37 4.22 -1.19 -0.11 114.58 117.24 2dk6 h GLU 50 Ca 0.19 0.05 0.51 0.00 0.08 0.00 0.00 59.36 60.18 2dk6 h GLU 50 Cb 0.48 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2dk6 h GLU 50 CO -0.50 -0.45 1.34 1.63 -2.18 0.00 0.00 179.01 178.84 2dk6 n LYS 51 N -5.09 0.00 -0.03 1.92 5.02 0.73 0.13 118.16 120.85 2dk6 n LYS 51 Ca -0.08 1.03 -0.15 0.00 -2.02 0.00 0.00 58.31 57.09 2dk6 n LYS 51 Cb 0.37 -2.41 -0.13 0.00 -0.02 0.00 0.00 35.03 32.84 2dk6 n LYS 51 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dk6 h SER 52 N 0.00 0.17 -0.04 4.39 0.87 -0.78 -3.26 113.55 114.90 2dk6 h SER 52 Ca 0.83 -0.88 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2dk6 h SER 52 Cb 3.51 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 65.41 2dk6 h SER 52 CO -0.01 1.03 0.05 0.15 -0.53 0.00 0.00 176.83 177.53 2dk6 h PHE 53 N -0.67 0.00 0.33 2.24 3.04 0.17 -0.74 116.94 121.30 2dk6 h PHE 53 Ca -0.04 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2dk6 h PHE 53 Cb 1.09 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 2dk6 h PHE 53 CO 0.22 0.00 -0.44 0.87 -2.02 0.00 0.00 178.31 176.94 2dk6 h LYS 54 N 0.00 -0.76 0.03 1.11 1.79 -1.29 -0.66 116.57 116.79 2dk6 h LYS 54 Ca 0.02 0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.33 2dk6 h LYS 54 Cb 0.13 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 2dk6 h LYS 54 CO -0.00 -0.51 -0.99 0.00 -1.08 0.00 0.00 179.45 176.87 2dk6 h THR 55 N -0.79 1.60 -2.74 -0.16 1.03 -1.66 -3.37 112.91 106.82 2dk6 h THR 55 Ca -0.04 -3.06 -0.64 0.00 -0.01 0.00 0.00 66.41 62.65 2dk6 h THR 55 Cb 0.71 2.72 -0.39 0.00 -1.07 0.00 0.00 68.15 70.12 2dk6 h THR 55 CO -0.11 0.88 -0.36 0.59 -0.01 0.00 0.00 175.52 176.51 2dk6 n ASN 56 N -3.49 3.88 0.24 0.00 4.13 -0.30 -4.88 115.26 114.83 2dk6 n ASN 56 Ca -0.03 -3.32 0.11 0.00 1.68 0.00 0.00 54.58 53.03 2dk6 n ASN 56 Cb 0.90 -0.82 0.55 0.00 -1.54 0.00 0.00 39.78 38.86 2dk6 n ASN 56 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2dk6 h PRO 57 N 4.99 0.00 -0.43 3.52 0.13 -1.29 -3.16 132.00 135.75 2dk6 h PRO 57 Ca 0.18 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.99 2dk6 h PRO 57 Cb 0.71 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.51 2dk6 h PRO 57 CO 0.85 0.18 -0.85 0.00 -0.23 0.00 0.00 178.00 177.95 2dk6 n GLY 59 N -0.63 5.24 3.32 0.00 0.00 -1.19 -4.39 105.19 107.54 2dk6 n GLY 59 Ca 0.25 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.45 -0.29 1.61 1.04 -1.26 -1.89 113.70 113.47 2dk6 s SER 60 Ca 0.00 0.86 -0.09 0.00 0.48 0.00 0.00 55.95 57.20 2dk6 s SER 60 Cb 0.00 0.87 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 2dk6 s SER 60 CO 0.00 -0.15 0.13 -0.51 0.98 0.00 0.00 173.24 173.69 2dk6 s ILE 61 N 0.27 4.57 -0.21 -1.02 2.07 -0.79 -4.97 121.20 121.13 2dk6 s ILE 61 Ca -0.00 -0.27 -0.16 0.00 -1.41 0.00 0.00 60.65 58.80 2dk6 s ILE 61 Cb -0.03 -3.25 -0.04 0.00 0.13 0.00 0.00 42.46 39.27 2dk6 s ILE 61 CO 0.00 0.18 0.42 -0.94 -1.91 0.00 0.00 174.94 172.69 2dk6 s SER 62 N 1.63 6.44 -0.10 4.50 1.04 -1.26 -2.71 113.70 123.23 2dk6 s SER 62 Ca 0.05 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 2dk6 s SER 62 Cb -0.16 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.76 2dk6 s SER 62 CO 0.06 -0.11 0.24 0.72 0.98 0.00 0.00 173.24 175.13 2dk6 s PHE 63 N 1.49 -0.31 -0.06 5.02 -0.12 -1.06 -5.07 117.98 117.87 2dk6 s PHE 63 Ca 0.20 0.75 0.05 0.00 -0.05 0.00 0.00 56.93 57.87 2dk6 s PHE 63 Cb -0.15 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2dk6 s PHE 63 CO 0.08 -0.20 -0.22 0.95 -0.05 0.00 0.00 175.22 175.78 2dk6 s THR 64 N 0.92 2.33 -0.21 -4.49 -4.23 -1.26 -2.59 115.64 106.10 2dk6 s THR 64 Ca -0.07 -0.97 -0.14 0.00 -1.18 0.00 0.00 61.69 59.33 2dk6 s THR 64 Cb -0.08 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.96 2dk6 s THR 64 CO -0.06 0.57 0.53 0.28 -0.54 0.00 0.00 174.62 175.40 2dk6 s THR 65 N -0.26 -0.01 -0.61 3.99 -1.32 -1.19 -4.95 115.64 111.29 2dk6 s THR 65 Ca -0.00 0.04 -0.01 0.00 -1.21 0.00 0.00 61.69 60.51 2dk6 s THR 65 Cb -0.13 -0.76 -0.01 0.00 -1.51 0.00 0.00 72.50 70.08 2dk6 s THR 65 CO 0.03 0.01 0.51 -0.24 -2.21 0.00 0.00 174.62 172.73 2dk6 n SER 66 N 3.79 -2.82 -2.46 8.08 2.88 -1.26 -2.99 113.62 118.84 2dk6 n SER 66 Ca -0.19 -0.34 -0.07 0.00 -1.33 0.00 0.00 58.87 56.94 2dk6 n SER 66 Cb 0.57 -2.96 -0.00 0.00 -0.75 0.00 0.00 64.21 61.07 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2dk6 n LYS 67 N -2.57 -2.58 -4.59 -1.46 2.85 -1.26 -4.90 118.16 103.65 2dk6 n LYS 67 Ca -0.11 0.32 -0.27 0.00 -1.05 0.00 0.00 58.31 57.19 2dk6 n LYS 67 Cb 0.58 -4.87 -0.10 0.00 -0.65 0.00 0.00 35.03 29.99 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 -2.32 2.21 -0.04 5.58 0.40 -1.16 -5.09 117.98 117.55 2dk6 s PHE 68 Ca 0.00 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.50 2dk6 s PHE 68 Cb 0.00 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.98 2dk6 s PHE 68 CO 0.00 0.24 -0.04 -1.54 0.70 0.00 0.00 175.22 174.58 2dk6 s SER 69 N -3.68 0.88 -0.00 1.36 1.04 -1.26 -3.16 113.70 108.88 2dk6 s SER 69 Ca 0.29 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2dk6 s SER 69 Cb 0.08 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2dk6 s SER 69 CO 0.14 -0.06 -0.01 -0.31 0.98 0.00 0.00 173.24 173.98 2dk6 s TYR 70 N 0.91 0.16 -0.14 5.02 2.02 -1.07 -1.44 117.35 122.80 2dk6 s TYR 70 Ca -0.11 -0.02 -0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2dk6 s TYR 70 Cb -0.14 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.34 2dk6 s TYR 70 CO 0.00 -0.01 0.01 0.21 -1.57 0.00 0.00 175.55 174.18 2dk6 s LYS 71 N 0.07 0.79 -0.34 -0.62 2.20 0.12 -2.55 119.74 119.41 2dk6 s LYS 71 Ca -0.00 -0.24 -0.16 0.00 -0.36 0.00 0.00 55.97 55.20 2dk6 s LYS 71 Cb -0.02 -1.68 -0.01 0.00 -1.51 0.00 0.00 37.83 34.61 2dk6 s LYS 71 CO -0.00 -0.48 0.41 0.42 -0.36 0.00 0.00 175.35 175.34 2dk6 s ILE 72 N 1.86 5.12 -0.36 5.43 1.01 -1.10 0.16 121.20 133.32 2dk6 s ILE 72 Ca 0.02 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 2dk6 s ILE 72 Cb -0.15 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 2dk6 s ILE 72 CO -0.07 -0.13 0.41 -1.81 0.00 0.00 0.00 174.94 173.34 2dk6 s ASP 73 N 1.74 6.21 -0.08 3.58 1.11 -0.07 -1.88 116.67 127.27 2dk6 s ASP 73 Ca 0.14 -0.27 -0.22 0.00 0.18 0.00 0.00 52.55 52.38 2dk6 s ASP 73 Cb -0.16 -2.22 -0.29 0.00 1.07 0.00 0.00 42.92 41.32 2dk6 s ASP 73 CO 0.12 -0.41 0.78 -0.26 1.18 0.00 0.00 175.17 176.58 2dk6 h PHE 74 N 8.51 0.40 -0.88 4.23 0.04 -1.59 -0.17 116.94 127.49 2dk6 h PHE 74 Ca -0.29 -0.30 0.16 0.00 2.80 0.00 0.00 57.97 60.34 2dk6 h PHE 74 Cb 1.13 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 39.17 2dk6 h PHE 74 CO 0.68 1.31 0.46 0.00 -0.60 0.00 0.00 178.31 180.16 2dk6 h ALA 75 N 0.02 1.34 -0.05 2.45 0.00 -1.69 0.43 119.26 121.77 2dk6 h ALA 75 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dk6 h ALA 75 Cb 1.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2dk6 h ALA 75 CO 0.09 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2dk6 n GLU 76 N -4.86 1.61 -3.86 0.00 -0.58 -1.25 -4.94 120.64 106.75 2dk6 n GLU 76 Ca 0.18 -0.90 -0.26 0.00 -0.42 0.00 0.00 57.16 55.76 2dk6 n GLU 76 Cb 0.46 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dk6 n MET 77 N 0.09 -3.06 -3.43 3.49 2.81 0.15 -4.96 117.12 112.21 2dk6 n MET 77 Ca 0.19 0.44 -0.12 0.00 -1.81 0.00 0.00 57.70 56.40 2dk6 n MET 77 Cb 0.32 -4.51 -0.02 0.00 -0.71 0.00 0.00 33.22 28.30 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 -6.37 1.22 -0.27 0.03 -2.85 -0.10 -3.49 119.74 107.92 2dk6 s LYS 78 Ca 0.10 -0.42 -0.10 0.00 -1.00 0.00 0.00 55.97 54.55 2dk6 s LYS 78 Cb -0.04 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 2dk6 s LYS 78 CO 0.87 -0.53 0.17 -1.14 0.10 0.00 0.00 175.35 174.82 2dk6 s GLN 79 N -3.55 3.93 -0.37 1.78 -0.44 -1.08 -0.90 119.66 119.02 2dk6 s GLN 79 Ca 0.01 -0.33 -0.15 0.00 -2.50 0.00 0.00 55.36 52.38 2dk6 s GLN 79 Cb -0.01 -3.59 0.00 0.00 -1.64 0.00 0.00 33.01 27.78 2dk6 s GLN 79 CO -0.11 -0.13 0.36 1.41 0.50 0.00 0.00 175.29 177.31 2dk6 s MET 80 N 1.59 3.33 0.08 1.67 -2.45 0.41 -2.75 119.30 121.19 2dk6 s MET 80 Ca 0.07 -0.64 -0.19 0.00 -1.25 0.00 0.00 55.69 53.68 2dk6 s MET 80 Cb -0.15 -3.88 -0.07 0.00 1.25 0.00 0.00 34.83 31.98 2dk6 s MET 80 CO 0.09 -0.64 0.58 -0.80 1.05 0.00 0.00 175.02 175.29 2dk6 s ASN 81 N 1.75 7.05 -0.03 1.11 -0.87 -1.16 0.12 114.94 122.90 2dk6 s ASN 81 Ca 0.10 1.26 0.07 0.00 -1.57 0.00 0.00 52.86 52.72 2dk6 s ASN 81 Cb -0.17 -2.36 -0.11 0.00 -0.02 0.00 0.00 41.25 38.59 2dk6 s ASN 81 CO 0.12 0.25 0.12 0.18 -2.57 0.00 0.00 177.10 175.20 2dk6 n LEU 82 N 1.61 0.00 -0.22 0.60 7.99 -0.86 -3.04 117.00 123.08 2dk6 n LEU 82 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.82 2dk6 n LEU 82 Cb 0.51 0.06 0.03 0.00 -0.11 0.00 0.00 43.42 43.91 2dk6 n LEU 82 CO 0.41 0.06 0.85 0.00 -1.51 0.00 0.00 177.39 177.20 2dk6 h THR 83 N 0.00 1.27 0.00 -5.08 1.03 -1.62 -3.36 112.91 105.14 2dk6 h THR 83 Ca -0.07 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.23 2dk6 h THR 83 Cb 0.72 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 2dk6 h THR 83 CO 0.00 0.41 -0.76 1.07 -0.01 0.00 0.00 175.52 176.23 2dk6 n THR 84 N -4.21 0.00 -0.77 0.00 5.66 -1.26 -4.98 114.28 108.72 2dk6 n THR 84 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2dk6 n THR 84 Cb 0.33 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dk6 n GLY 85 N 1.93 0.56 3.78 1.09 0.00 -1.17 -5.04 105.19 106.34 2dk6 n GLY 85 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.05 3.98 -0.18 1.61 -0.14 -1.26 -4.81 119.74 117.89 2dk6 s LYS 86 Ca 0.00 1.60 -0.09 0.00 -1.36 0.00 0.00 55.97 56.12 2dk6 s LYS 86 Cb 0.00 -2.46 -0.05 0.00 -1.68 0.00 0.00 37.83 33.65 2dk6 s LYS 86 CO 0.00 -0.32 0.11 -0.65 -0.76 0.00 0.00 175.35 173.73 2dk6 s GLN 87 N -2.63 4.01 0.38 1.68 1.11 -1.26 -2.99 119.66 119.96 2dk6 s GLN 87 Ca 0.61 -0.24 0.05 0.00 0.01 0.00 0.00 55.36 55.78 2dk6 s GLN 87 Cb -0.24 -3.32 -0.02 0.00 -1.01 0.00 0.00 33.01 28.41 2dk6 s GLN 87 CO 0.30 0.37 0.19 1.03 0.01 0.00 0.00 175.29 177.19 2dk6 s ARG 88 N 0.15 1.87 0.15 2.91 0.52 -1.11 -5.04 118.95 118.40 2dk6 s ARG 88 Ca 0.08 -2.12 0.08 0.00 -0.52 0.00 0.00 55.73 53.25 2dk6 s ARG 88 Cb -0.11 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.11 2dk6 s ARG 88 CO -0.01 -0.56 -0.18 -0.51 0.02 0.00 0.00 175.30 174.05 2dk6 s LEU 89 N -3.51 2.41 0.35 2.53 1.43 -1.26 -2.65 118.68 117.98 2dk6 s LEU 89 Ca 0.30 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2dk6 s LEU 89 Cb 0.02 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 2dk6 s LEU 89 CO 0.20 -0.02 0.13 0.27 0.23 0.00 0.00 176.35 177.16 2dk6 s ILE 90 N -1.88 0.58 -0.21 -0.59 -4.36 -1.23 0.58 121.20 114.09 2dk6 s ILE 90 Ca 0.13 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.25 2dk6 s ILE 90 Cb -0.06 -2.49 0.12 0.00 1.25 0.00 0.00 42.46 41.28 2dk6 s ILE 90 CO 0.06 0.00 0.98 -1.59 0.24 0.00 0.00 174.94 174.63 2dk6 s LYS 91 N -3.78 0.60 -0.22 0.37 -2.85 -0.52 -4.74 119.74 108.61 2dk6 s LYS 91 Ca 0.31 0.38 -0.07 0.00 -1.00 0.00 0.00 55.97 55.59 2dk6 s LYS 91 Cb 0.04 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2dk6 s LYS 91 CO 0.16 -0.14 0.05 0.50 0.10 0.00 0.00 175.35 176.02 2dk6 s ARG 92 N -0.48 3.73 -0.05 1.78 6.06 -1.26 -1.73 118.95 126.99 2dk6 s ARG 92 Ca -0.00 -0.45 -0.30 0.00 -2.50 0.00 0.00 55.73 52.47 2dk6 s ARG 92 Cb -0.03 -3.24 0.08 0.00 0.06 0.00 0.00 34.95 31.83 2dk6 s ARG 92 CO -0.01 -0.02 0.73 0.00 -2.50 0.00 0.00 175.30 173.50 2dk6 s ALA 93 N 1.15 -1.78 0.55 6.12 0.00 -0.65 -5.01 121.76 122.15 2dk6 s ALA 93 Ca 0.04 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.08 2dk6 s ALA 93 Cb -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2dk6 s ALA 93 CO 0.03 -0.41 1.13 -1.25 0.00 0.00 0.00 175.76 175.26 2dk6 s PRO 94 N -1.49 3.30 0.19 0.00 0.04 -1.26 0.53 135.00 136.32 2dk6 s PRO 94 Ca -0.08 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.31 2dk6 s PRO 94 Cb -0.00 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.62 2dk6 s PRO 94 CO 0.06 -0.88 1.56 0.74 0.04 0.00 0.00 177.00 178.51 2dk6 h PHE 95 N 1.09 -1.37 -3.18 0.56 -1.00 -1.89 -3.43 116.94 107.72 2dk6 h PHE 95 Ca -0.50 0.10 -0.15 0.00 2.81 0.00 0.00 57.97 60.23 2dk6 h PHE 95 Cb 1.26 0.71 -0.24 0.00 3.61 0.00 0.00 35.95 41.30 2dk6 h PHE 95 CO 0.52 -0.40 -0.41 -1.54 -1.61 0.00 0.00 178.31 174.86 2dk6 s SER 96 N -5.31 -0.20 -0.11 2.17 1.04 -1.26 -5.05 113.70 104.98 2dk6 s SER 96 Ca -0.14 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 56.37 2dk6 s SER 96 Cb 0.15 0.42 -0.19 0.00 0.10 0.00 0.00 66.02 66.50 2dk6 s SER 96 CO 0.67 -0.21 0.70 0.77 0.98 0.00 0.00 173.24 176.15 2dk6 h SER 97 N 5.12 -0.03 0.00 7.02 4.64 -2.00 -3.50 113.55 124.80 2dk6 h SER 97 Ca -0.27 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 2dk6 h SER 97 Cb 1.19 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2dk6 h SER 97 CO 0.37 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 2dk6 n GLY 98 N 1.35 0.87 0.00 -0.77 0.00 -1.26 -4.97 105.19 100.41 2dk6 n GLY 98 Ca -0.08 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.37 2dk6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk6 n PRO 99 N 0.00 0.39 -4.06 1.61 -0.04 -1.26 -4.46 135.00 127.18 2dk6 n PRO 99 Ca 0.00 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 2dk6 n PRO 99 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2dk6 n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk6 s SER 100 N -2.19 4.47 -0.07 3.54 0.15 -1.26 -4.99 113.70 113.35 2dk6 s SER 100 Ca 0.20 -1.41 -0.06 0.00 0.70 0.00 0.00 55.95 55.38 2dk6 s SER 100 Cb 0.10 -1.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.88 2dk6 s SER 100 CO 0.19 -0.20 0.19 -0.94 1.20 0.00 0.00 173.24 173.69 2dk6 s SER 101 N 1.10 -0.20 0.00 5.45 1.04 -1.26 -5.18 113.70 114.65 2dk6 s SER 101 Ca -0.08 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2dk6 s SER 101 Cb -0.20 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2dk6 s SER 101 CO -0.05 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.69