#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 3.73 -0.53 1.61 0.15 -1.26 -5.07 113.70 112.33 2dk6 s SER 2 Ca 0.00 -3.09 -0.21 0.00 0.70 0.00 0.00 55.95 53.35 2dk6 s SER 2 Cb 0.00 -1.20 0.06 0.00 -1.71 0.00 0.00 66.02 63.17 2dk6 s SER 2 CO 0.00 -0.20 0.73 -0.44 1.20 0.00 0.00 173.24 174.54 2dk6 s SER 3 N -0.29 6.25 0.05 5.45 0.01 -1.26 -4.82 113.70 119.09 2dk6 s SER 3 Ca 0.22 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dk6 s SER 3 Cb -0.15 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2dk6 s SER 3 CO -0.08 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.15 2dk6 n GLY 4 N 5.18 -3.74 0.86 3.44 0.00 -1.26 -5.06 105.19 104.61 2dk6 n GLY 4 Ca -0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.08 1.26 -3.69 1.61 2.88 -1.26 -5.13 113.62 109.21 2dk6 n SER 5 Ca 0.00 0.18 -0.10 0.00 -1.33 0.00 0.00 58.87 57.62 2dk6 n SER 5 Cb 0.00 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 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 -5.97 -0.34 0.00 -3.46 0.15 -1.26 -5.15 113.70 97.67 2dk6 s SER 6 Ca -0.06 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2dk6 s SER 6 Cb 0.01 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2dk6 s SER 6 CO 0.09 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.02 2dk6 n GLY 7 N -0.38 -0.48 0.11 9.45 0.00 -1.26 -5.07 105.19 107.55 2dk6 n GLY 7 Ca -0.10 0.82 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 1.90 -3.88 1.61 3.02 -1.26 -5.00 115.26 111.66 2dk6 n ASN 8 Ca 0.00 0.40 -0.29 0.00 -0.03 0.00 0.00 54.58 54.67 2dk6 n ASN 8 Cb 0.00 -0.87 0.03 0.00 -0.61 0.00 0.00 39.78 38.33 2dk6 n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dk6 n GLU 9 N -4.39 -5.45 -4.82 3.52 -0.58 -1.26 -4.79 120.64 102.88 2dk6 n GLU 9 Ca -0.36 0.60 -0.32 0.00 -0.42 0.00 0.00 57.16 56.67 2dk6 n GLU 9 Cb 0.69 -5.43 -0.17 0.00 -0.57 0.00 0.00 31.44 25.97 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2dk6 s VAL 10 N -3.37 1.98 -0.26 2.62 1.01 -1.26 -4.85 120.40 116.26 2dk6 s VAL 10 Ca 0.54 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2dk6 s VAL 10 Cb -0.27 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.41 2dk6 s VAL 10 CO 0.83 0.54 -0.08 -1.81 0.00 0.00 0.00 175.10 174.58 2dk6 s ASP 11 N 0.68 4.41 0.47 3.32 1.11 -1.26 -5.10 116.67 120.31 2dk6 s ASP 11 Ca -0.11 -1.18 -0.21 0.00 0.18 0.00 0.00 52.55 51.24 2dk6 s ASP 11 Cb -0.16 -1.61 -0.11 0.00 1.07 0.00 0.00 42.92 42.10 2dk6 s ASP 11 CO 0.02 -0.18 0.54 0.47 1.18 0.00 0.00 175.17 177.20 2dk6 n ASP 12 N 4.55 -0.89 -4.33 0.27 9.92 -1.26 -5.00 116.55 119.82 2dk6 n ASP 12 Ca -0.15 0.85 -0.25 0.00 -0.53 0.00 0.00 54.79 54.71 2dk6 n ASP 12 Cb 0.44 -1.14 -0.12 0.00 -0.64 0.00 0.00 41.12 39.66 2dk6 n ASP 12 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2dk6 s MET 13 N -1.75 1.23 -0.96 -1.24 -1.94 -1.26 -5.09 119.30 108.29 2dk6 s MET 13 Ca 0.65 -1.25 -0.14 0.00 -1.71 0.00 0.00 55.69 53.23 2dk6 s MET 13 Cb -0.54 -1.54 0.20 0.00 2.01 0.00 0.00 34.83 34.96 2dk6 s MET 13 CO 0.57 0.36 1.02 0.34 -0.01 0.00 0.00 175.02 177.29 2dk6 s ASP 14 N -2.06 6.88 -0.11 3.03 2.15 -1.26 -4.97 116.67 120.34 2dk6 s ASP 14 Ca 0.10 -2.75 -0.27 0.00 0.43 0.00 0.00 52.55 50.06 2dk6 s ASP 14 Cb -0.10 -2.28 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 2dk6 s ASP 14 CO 0.05 -0.66 0.63 -0.89 -0.17 0.00 0.00 175.17 174.13 2dk6 s THR 15 N 0.70 0.01 -0.49 1.71 2.01 -1.26 -5.04 115.64 113.27 2dk6 s THR 15 Ca 0.27 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 2dk6 s THR 15 Cb -0.08 -0.93 0.28 0.00 0.01 0.00 0.00 72.50 71.78 2dk6 s THR 15 CO -0.08 -0.03 2.14 -0.24 -0.69 0.00 0.00 174.62 175.72 2dk6 n SER 16 N 1.52 6.96 -0.00 3.53 2.88 -1.26 -4.06 113.62 123.18 2dk6 n SER 16 Ca -0.18 -3.38 0.05 0.00 -1.33 0.00 0.00 58.87 54.04 2dk6 n SER 16 Cb 0.56 -1.06 -0.07 0.00 -0.75 0.00 0.00 64.21 62.89 2dk6 n SER 16 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dk6 n ASP 17 N -0.05 2.12 -4.53 -3.46 -0.08 -1.26 -4.96 116.55 104.33 2dk6 n ASP 17 Ca 0.45 -0.18 -0.40 0.00 -1.51 0.00 0.00 54.79 53.15 2dk6 n ASP 17 Cb 0.57 1.36 -0.05 0.00 2.34 0.00 0.00 41.12 45.33 2dk6 n ASP 17 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2dk6 n THR 18 N -1.71 0.03 -3.15 5.18 -1.04 -1.26 -4.91 114.28 107.42 2dk6 n THR 18 Ca -0.01 -0.55 -0.40 0.00 -2.04 0.00 0.00 64.05 61.05 2dk6 n THR 18 Cb 0.24 -2.25 -0.06 0.00 -1.82 0.00 0.00 70.33 66.44 2dk6 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2dk6 s GLN 19 N 7.81 4.15 -0.18 -2.82 -0.21 -1.26 -5.04 119.66 122.11 2dk6 s GLN 19 Ca 1.06 0.51 -0.22 0.00 0.02 0.00 0.00 55.36 56.74 2dk6 s GLN 19 Cb -0.46 -3.62 -0.02 0.00 1.00 0.00 0.00 33.01 29.91 2dk6 s GLN 19 CO 0.34 -0.31 0.66 -1.58 -2.12 0.00 0.00 175.29 172.28 2dk6 s TRP 20 N 2.17 3.40 0.21 0.91 0.52 -1.26 -1.56 118.94 123.33 2dk6 s TRP 20 Ca 0.26 1.00 0.08 0.00 0.02 0.00 0.00 56.10 57.46 2dk6 s TRP 20 Cb -0.16 -2.82 -0.04 0.00 -1.15 0.00 0.00 33.47 29.30 2dk6 s TRP 20 CO 0.09 -0.15 0.02 0.20 0.02 0.00 0.00 176.95 177.13 2dk6 s GLY 21 N 1.14 1.66 -0.12 0.98 0.00 0.11 -4.89 107.32 106.19 2dk6 s GLY 21 Ca 0.31 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.51 2dk6 s GLY 21 CO 0.11 -1.51 0.04 -0.98 0.00 0.00 0.00 173.10 170.76 2dk6 s TRP 22 N -1.98 3.26 0.28 1.90 0.52 -1.26 -2.24 118.94 119.42 2dk6 s TRP 22 Ca 0.29 0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.63 2dk6 s TRP 22 Cb -0.08 -1.91 -0.06 0.00 -1.15 0.00 0.00 33.47 30.27 2dk6 s TRP 22 CO 0.20 0.39 0.03 -0.06 0.02 0.00 0.00 176.95 177.53 2dk6 s PHE 23 N -0.46 1.79 -0.20 -1.98 0.40 -0.53 -1.60 117.98 115.40 2dk6 s PHE 23 Ca 0.09 -0.95 -0.09 0.00 -0.60 0.00 0.00 56.93 55.38 2dk6 s PHE 23 Cb -0.12 -1.10 0.08 0.00 0.51 0.00 0.00 43.02 42.38 2dk6 s PHE 23 CO 0.02 -0.02 0.45 1.52 0.70 0.00 0.00 175.22 177.89 2dk6 s TYR 24 N -3.36 -0.75 0.86 0.36 1.13 -1.13 -2.82 117.35 111.63 2dk6 s TYR 24 Ca 0.34 1.50 -0.13 0.00 -1.41 0.00 0.00 57.07 57.36 2dk6 s TYR 24 Cb 0.07 0.34 0.05 0.00 -1.10 0.00 0.00 41.96 41.32 2dk6 s TYR 24 CO 0.13 -0.43 0.76 -0.11 -2.51 0.00 0.00 175.55 173.39 2dk6 n LEU 25 N 4.76 1.79 -4.59 -3.49 7.94 0.86 -1.28 117.00 122.99 2dk6 n LEU 25 Ca -0.17 0.47 -0.24 0.00 -1.11 0.00 0.00 56.01 54.96 2dk6 n LEU 25 Cb 0.53 -1.33 -0.09 0.00 0.53 0.00 0.00 43.42 43.06 2dk6 n LEU 25 CO 0.04 -2.78 -0.36 0.00 -1.11 0.00 0.00 177.39 173.18 2dk6 s ALA 26 N -2.26 3.07 0.17 1.96 0.00 -0.81 -4.71 121.76 119.18 2dk6 s ALA 26 Ca 0.65 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 2dk6 s ALA 26 Cb -0.26 -0.43 0.09 0.00 0.00 0.00 0.00 23.12 22.51 2dk6 s ALA 26 CO 0.60 0.17 1.63 1.49 0.00 0.00 0.00 175.76 179.65 2dk6 h GLU 27 N 1.95 -0.15 -0.16 0.00 4.57 -1.96 0.96 114.58 119.80 2dk6 h GLU 27 Ca -0.42 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 2dk6 h GLU 27 Cb 1.25 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2dk6 h GLU 27 CO 0.64 -0.10 0.03 0.00 -1.18 0.00 0.00 179.01 178.40 2dk6 n GLY 29 N -1.30 0.97 2.76 0.00 0.00 0.33 -5.13 105.19 102.81 2dk6 n GLY 29 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 0.06 0.62 -0.06 1.61 2.47 -1.25 -4.82 119.74 118.37 2dk6 s LYS 30 Ca 0.00 -0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.10 2dk6 s LYS 30 Cb 0.00 -1.25 -0.05 0.00 -1.46 0.00 0.00 37.83 35.07 2dk6 s LYS 30 CO 0.00 -0.39 1.50 -1.58 0.16 0.00 0.00 175.35 175.04 2dk6 s TRP 31 N 1.95 2.43 -0.23 4.03 0.52 -1.26 -1.93 118.94 124.45 2dk6 s TRP 31 Ca 0.04 0.55 -0.03 0.00 0.02 0.00 0.00 56.10 56.68 2dk6 s TRP 31 Cb -0.13 -3.76 0.01 0.00 -1.15 0.00 0.00 33.47 28.43 2dk6 s TRP 31 CO -0.06 -3.00 -0.06 -1.01 0.02 0.00 0.00 176.95 172.85 2dk6 s HIS 32 N 3.41 2.98 -0.01 -1.98 3.76 -0.40 -4.83 115.29 118.21 2dk6 s HIS 32 Ca 0.67 -1.20 -0.32 0.00 -0.15 0.00 0.00 55.06 54.06 2dk6 s HIS 32 Cb -0.30 -2.08 -0.10 0.00 1.11 0.00 0.00 32.58 31.20 2dk6 s HIS 32 CO 0.25 -0.63 1.95 -0.12 -0.85 0.00 0.00 174.74 175.34 2dk6 n MET 33 N 4.75 2.63 -1.30 1.40 1.56 -1.26 -2.83 117.12 122.06 2dk6 n MET 33 Ca -0.18 0.96 -0.42 0.00 -0.27 0.00 0.00 57.70 57.80 2dk6 n MET 33 Cb 0.49 -2.88 -0.00 0.00 2.15 0.00 0.00 33.22 32.98 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 7.23 -2.06 -4.01 1.12 3.72 -0.63 -4.98 117.46 117.85 2dk6 n PHE 34 Ca 0.21 0.63 -0.12 0.00 -0.05 0.00 0.00 57.45 58.12 2dk6 n PHE 34 Cb 0.37 -1.78 -0.13 0.00 -0.94 0.00 0.00 39.48 37.00 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 -1.00 0.32 0.45 -1.08 -1.52 -1.26 -4.44 119.66 111.12 2dk6 s GLN 35 Ca 0.59 -0.41 -0.23 0.00 -1.95 0.00 0.00 55.36 53.36 2dk6 s GLN 35 Cb -0.65 -0.13 -0.08 0.00 -0.22 0.00 0.00 33.01 31.94 2dk6 s GLN 35 CO 0.63 0.02 1.17 -1.25 -0.25 0.00 0.00 175.29 175.61 2dk6 s PRO 36 N -0.85 3.81 -0.28 2.91 0.04 -1.26 -4.37 135.00 134.99 2dk6 s PRO 36 Ca -0.07 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 2dk6 s PRO 36 Cb -0.06 -2.46 0.09 0.00 0.04 0.00 0.00 34.50 32.12 2dk6 s PRO 36 CO -0.00 -0.51 0.70 -0.51 0.04 0.00 0.00 177.00 176.72 2dk6 s ASP 37 N -1.31 -0.96 -0.23 6.66 1.01 -1.25 -4.86 116.67 115.73 2dk6 s ASP 37 Ca 0.62 1.48 -0.16 0.00 0.71 0.00 0.00 52.55 55.21 2dk6 s ASP 37 Cb -0.29 1.56 -0.09 0.00 1.01 0.00 0.00 42.92 45.11 2dk6 s ASP 37 CO 0.36 -0.23 -0.35 0.35 0.21 0.00 0.00 175.17 175.50 2dk6 n THR 38 N 4.52 1.51 -0.04 -1.27 -2.24 -1.26 -1.24 114.28 114.26 2dk6 n THR 38 Ca -0.18 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2dk6 n THR 38 Cb 0.57 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 2dk6 n THR 38 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2dk6 n ASN 39 N -4.35 1.33 -4.55 3.42 2.85 -1.26 -4.39 115.26 108.31 2dk6 n ASN 39 Ca -0.35 0.21 -0.39 0.00 -0.11 0.00 0.00 54.58 53.94 2dk6 n ASN 39 Cb 0.71 -0.49 -0.03 0.00 1.24 0.00 0.00 39.78 41.21 2dk6 n ASN 39 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2dk6 s SER 40 N -6.08 5.52 -1.32 1.20 0.01 -1.26 -3.33 113.70 108.44 2dk6 s SER 40 Ca -0.17 0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 2dk6 s SER 40 Cb 0.04 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.75 2dk6 s SER 40 CO 0.23 -2.21 1.11 1.67 0.41 0.00 0.00 173.24 174.45 2dk6 n GLN 41 N 9.17 -7.36 -0.96 12.44 7.27 -1.26 -4.80 117.38 131.87 2dk6 n GLN 41 Ca 0.17 0.82 -0.32 0.00 0.07 0.00 0.00 57.00 57.73 2dk6 n GLN 41 Cb 0.51 -5.84 -0.02 0.00 2.41 0.00 0.00 30.24 27.30 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dk6 n SER 43 N 1.47 -0.98 -4.82 0.00 3.41 -0.37 -4.10 113.62 108.22 2dk6 n SER 43 Ca 0.11 -1.58 -0.36 0.00 -0.26 0.00 0.00 58.87 56.78 2dk6 n SER 43 Cb 0.20 1.61 -0.07 0.00 -0.26 0.00 0.00 64.21 65.70 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2dk6 s VAL 44 N -2.39 5.11 0.36 -3.33 -7.23 -1.26 -3.79 120.40 107.87 2dk6 s VAL 44 Ca 0.10 -0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.09 2dk6 s VAL 44 Cb -0.02 -3.23 -0.10 0.00 0.56 0.00 0.00 36.38 33.59 2dk6 s VAL 44 CO 0.04 0.56 0.83 -0.44 -0.31 0.00 0.00 175.10 175.78 2dk6 s SER 45 N -1.14 6.88 0.47 4.85 0.01 -1.26 -4.16 113.70 119.35 2dk6 s SER 45 Ca 0.16 1.47 0.35 0.00 1.31 0.00 0.00 55.95 59.25 2dk6 s SER 45 Cb -0.12 -2.45 1.51 0.00 0.21 0.00 0.00 66.02 65.17 2dk6 s SER 45 CO 0.06 -0.25 1.63 0.77 0.41 0.00 0.00 173.24 175.86 2dk6 h SER 46 N 2.22 0.17 -0.44 2.44 4.64 -1.90 0.79 113.55 121.46 2dk6 h SER 46 Ca -0.48 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2dk6 h SER 46 Cb 1.18 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2dk6 h SER 46 CO 0.64 -0.12 0.29 -0.08 -0.87 0.00 0.00 176.83 176.68 2dk6 h GLU 47 N 0.06 0.57 0.64 4.77 4.81 -1.95 -1.35 114.58 122.13 2dk6 h GLU 47 Ca 0.83 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.99 2dk6 h GLU 47 Cb 2.84 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 32.09 2dk6 h GLU 47 CO -0.29 0.38 -0.31 0.22 -0.73 0.00 0.00 179.01 178.28 2dk6 h ASP 48 N 0.59 -0.72 -0.99 1.04 3.58 0.24 0.38 116.42 120.54 2dk6 h ASP 48 Ca 0.16 0.02 0.29 0.00 0.42 0.00 0.00 57.03 57.93 2dk6 h ASP 48 Cb -0.06 0.19 -0.14 0.00 1.72 0.00 0.00 39.33 41.03 2dk6 h ASP 48 CO -0.04 -0.48 0.54 0.40 -2.88 0.00 0.00 179.24 176.78 2dk6 h ILE 49 N -0.93 0.36 0.08 2.25 2.04 -1.51 -1.05 117.51 118.76 2dk6 h ILE 49 Ca -0.09 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2dk6 h ILE 49 Cb 0.66 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2dk6 h ILE 49 CO 0.14 0.07 -0.04 -0.08 0.00 0.00 0.00 178.15 178.24 2dk6 h GLU 50 N 0.38 -0.10 -1.66 2.37 4.22 -1.11 -2.63 114.58 116.05 2dk6 h GLU 50 Ca 0.69 0.01 0.48 0.00 0.08 0.00 0.00 59.36 60.62 2dk6 h GLU 50 Cb 1.49 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.70 2dk6 h GLU 50 CO -0.58 -0.07 1.20 0.36 -2.18 0.00 0.00 179.01 177.75 2dk6 n LYS 51 N -2.71 0.00 0.01 1.92 2.85 0.13 -0.68 118.16 119.69 2dk6 n LYS 51 Ca -0.01 0.91 -0.01 0.00 -1.05 0.00 0.00 58.31 58.15 2dk6 n LYS 51 Cb 0.04 -2.10 -0.00 0.00 -0.65 0.00 0.00 35.03 32.31 2dk6 n LYS 51 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2dk6 h SER 52 N 0.00 -0.04 -0.89 -5.58 0.02 -1.24 -3.30 113.55 102.52 2dk6 h SER 52 Ca 0.79 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 62.00 2dk6 h SER 52 Cb 3.18 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 65.69 2dk6 h SER 52 CO -0.01 0.08 1.07 0.15 -1.14 0.00 0.00 176.83 176.98 2dk6 h PHE 53 N -0.26 0.00 0.06 3.45 3.04 -0.50 -1.08 116.94 121.64 2dk6 h PHE 53 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2dk6 h PHE 53 Cb 0.03 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2dk6 h PHE 53 CO 0.02 0.00 -0.21 0.87 -2.02 0.00 0.00 178.31 176.97 2dk6 h LYS 54 N 0.00 -0.29 -0.18 1.11 1.79 -1.34 0.14 116.57 117.80 2dk6 h LYS 54 Ca 0.42 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.80 2dk6 h LYS 54 Cb 2.56 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 33.28 2dk6 h LYS 54 CO -0.00 -0.19 -0.33 0.00 -1.08 0.00 0.00 179.45 177.84 2dk6 h THR 55 N -0.30 1.34 -3.05 -0.16 1.03 -1.38 -3.36 112.91 107.02 2dk6 h THR 55 Ca -0.00 -1.56 -0.68 0.00 -0.01 0.00 0.00 66.41 64.16 2dk6 h THR 55 Cb 0.30 1.90 -0.37 0.00 -1.07 0.00 0.00 68.15 68.91 2dk6 h THR 55 CO -0.11 0.48 -0.20 -0.46 -0.01 0.00 0.00 175.52 175.21 2dk6 n ASN 56 N -4.33 4.06 0.09 0.00 6.94 -0.93 -4.87 115.26 116.22 2dk6 n ASN 56 Ca -0.06 -3.22 0.10 0.00 -0.02 0.00 0.00 54.58 51.38 2dk6 n ASN 56 Cb 0.49 -0.94 0.43 0.00 -2.36 0.00 0.00 39.78 37.40 2dk6 n ASN 56 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2dk6 n PRO 57 N 1.91 0.13 -1.86 -0.53 -0.04 0.48 -2.78 135.00 132.31 2dk6 n PRO 57 Ca 0.23 0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2dk6 n PRO 57 Cb 0.37 -1.75 0.07 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.67 3.05 3.61 0.00 0.00 -1.12 -4.02 105.19 106.05 2dk6 n GLY 59 Ca 0.28 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 0.85 -0.25 -0.22 1.61 1.04 -1.26 -0.02 113.70 115.44 2dk6 s SER 60 Ca 0.00 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 2dk6 s SER 60 Cb 0.00 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.57 2dk6 s SER 60 CO 0.00 -0.65 0.08 -0.51 0.98 0.00 0.00 173.24 173.15 2dk6 s ILE 61 N -3.04 0.22 0.16 -1.02 2.07 -0.70 -4.97 121.20 113.92 2dk6 s ILE 61 Ca 0.09 -0.59 -0.25 0.00 -1.41 0.00 0.00 60.65 58.48 2dk6 s ILE 61 Cb -0.01 -0.95 -0.08 0.00 0.13 0.00 0.00 42.46 41.56 2dk6 s ILE 61 CO -0.04 -0.42 0.78 -0.94 -1.91 0.00 0.00 174.94 172.41 2dk6 s SER 62 N 1.98 7.38 0.21 4.50 1.04 -1.26 -3.04 113.70 124.50 2dk6 s SER 62 Ca 0.04 1.64 -0.22 0.00 0.48 0.00 0.00 55.95 57.89 2dk6 s SER 62 Cb -0.16 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.52 2dk6 s SER 62 CO -0.18 0.19 0.98 0.72 0.98 0.00 0.00 173.24 175.93 2dk6 s PHE 63 N -1.04 0.02 0.21 5.02 -0.12 -1.03 -5.04 117.98 116.01 2dk6 s PHE 63 Ca 0.36 -0.43 0.05 0.00 -0.05 0.00 0.00 56.93 56.86 2dk6 s PHE 63 Cb -0.23 0.70 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 2dk6 s PHE 63 CO 0.26 -0.99 -0.07 0.95 -0.05 0.00 0.00 175.22 175.32 2dk6 s THR 64 N -2.53 1.32 0.00 -4.49 -4.23 -1.26 -1.74 115.64 102.71 2dk6 s THR 64 Ca 0.18 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2dk6 s THR 64 Cb -0.03 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2dk6 s THR 64 CO 0.05 -0.49 0.00 0.35 -0.54 0.00 0.00 174.62 173.99 2dk6 n THR 65 N -0.38 0.00 -3.84 3.99 -2.24 -1.18 -4.55 114.28 106.08 2dk6 n THR 65 Ca -0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 2dk6 n THR 65 Cb 0.62 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.58 4.03 -0.79 3.42 0.01 -1.26 -3.93 113.70 112.59 2dk6 s SER 66 Ca 0.00 -2.92 -0.01 0.00 1.31 0.00 0.00 55.95 54.33 2dk6 s SER 66 Cb 0.00 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.87 2dk6 s SER 66 CO 0.00 -0.23 0.05 2.29 0.41 0.00 0.00 173.24 175.76 2dk6 n LYS 67 N 3.20 -2.54 -4.13 12.44 2.85 -1.26 -4.89 118.16 123.82 2dk6 n LYS 67 Ca 0.08 0.42 -0.11 0.00 -1.05 0.00 0.00 58.31 57.65 2dk6 n LYS 67 Cb 0.34 -5.00 -0.09 0.00 -0.65 0.00 0.00 35.03 29.63 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 -2.48 0.87 0.14 5.58 0.08 -1.26 -5.09 117.98 115.81 2dk6 s PHE 68 Ca 0.05 -1.16 0.08 0.00 0.12 0.00 0.00 56.93 56.01 2dk6 s PHE 68 Cb -0.03 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 2dk6 s PHE 68 CO 0.06 -0.69 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.19 2dk6 s SER 69 N -3.09 2.41 -0.18 1.36 0.01 -1.26 -3.12 113.70 109.83 2dk6 s SER 69 Ca 0.31 -0.80 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 2dk6 s SER 69 Cb 0.05 -0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.22 2dk6 s SER 69 CO 0.08 -0.05 0.45 -0.31 0.41 0.00 0.00 173.24 173.82 2dk6 s TYR 70 N -1.85 -0.64 -0.42 2.43 2.02 -0.71 -3.40 117.35 114.78 2dk6 s TYR 70 Ca 0.11 1.37 -0.03 0.00 -0.37 0.00 0.00 57.07 58.16 2dk6 s TYR 70 Cb -0.07 0.30 0.11 0.00 -0.40 0.00 0.00 41.96 41.90 2dk6 s TYR 70 CO 0.05 -0.35 0.21 0.21 -1.57 0.00 0.00 175.55 174.10 2dk6 s LYS 71 N 1.29 2.02 -0.67 -0.62 2.20 -0.59 -2.46 119.74 120.90 2dk6 s LYS 71 Ca -0.08 -1.87 -0.27 0.00 -0.36 0.00 0.00 55.97 53.39 2dk6 s LYS 71 Cb -0.07 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2dk6 s LYS 71 CO -0.12 -1.08 1.21 0.42 -0.36 0.00 0.00 175.35 175.42 2dk6 s ILE 72 N 1.06 3.90 -0.25 5.43 1.01 -1.17 -0.68 121.20 130.50 2dk6 s ILE 72 Ca 0.09 0.50 -0.22 0.00 0.00 0.00 0.00 60.65 61.02 2dk6 s ILE 72 Cb -0.23 -4.82 -0.01 0.00 0.01 0.00 0.00 42.46 37.41 2dk6 s ILE 72 CO -0.04 -1.62 0.69 -1.81 0.00 0.00 0.00 174.94 172.16 2dk6 s ASP 73 N 3.43 6.65 -0.02 3.58 1.11 -0.55 -1.72 116.67 129.14 2dk6 s ASP 73 Ca 0.36 0.80 -0.20 0.00 0.18 0.00 0.00 52.55 53.68 2dk6 s ASP 73 Cb -0.09 -2.37 -0.31 0.00 1.07 0.00 0.00 42.92 41.22 2dk6 s ASP 73 CO 0.18 -0.42 0.94 -0.26 1.18 0.00 0.00 175.17 176.80 2dk6 h PHE 74 N 7.84 0.65 -1.02 4.23 0.04 -0.69 -1.55 116.94 126.44 2dk6 h PHE 74 Ca -0.26 -0.46 0.30 0.00 2.80 0.00 0.00 57.97 60.35 2dk6 h PHE 74 Cb 1.11 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.19 2dk6 h PHE 74 CO 0.75 1.34 0.73 0.00 -0.60 0.00 0.00 178.31 180.54 2dk6 h ALA 75 N 0.13 2.96 -0.01 2.45 0.00 -1.61 0.64 119.26 123.82 2dk6 h ALA 75 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dk6 h ALA 75 Cb 1.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2dk6 h ALA 75 CO 0.17 -1.25 -0.56 0.39 0.00 0.00 0.00 179.25 178.01 2dk6 n GLU 76 N -4.24 1.43 -3.64 0.00 -0.58 -1.23 -4.99 120.64 107.39 2dk6 n GLU 76 Ca 0.22 -0.52 -0.20 0.00 -0.42 0.00 0.00 57.16 56.23 2dk6 n GLU 76 Cb 1.08 -1.33 0.04 0.00 -0.57 0.00 0.00 31.44 30.66 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 -0.62 -5.14 -3.47 3.49 2.81 0.22 -4.99 117.12 109.43 2dk6 n MET 77 Ca 0.06 0.67 -0.13 0.00 -1.81 0.00 0.00 57.70 56.48 2dk6 n MET 77 Cb 0.34 -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 -5.83 1.14 0.07 0.03 -2.85 -0.64 -3.34 119.74 108.32 2dk6 s LYS 78 Ca 0.01 -0.20 -0.08 0.00 -1.00 0.00 0.00 55.97 54.70 2dk6 s LYS 78 Cb -0.00 0.53 -0.06 0.00 -2.06 0.00 0.00 37.83 36.24 2dk6 s LYS 78 CO 0.80 -0.45 0.37 -1.14 0.10 0.00 0.00 175.35 175.02 2dk6 s GLN 79 N -2.79 3.70 -0.23 1.78 0.74 0.17 -1.49 119.66 121.54 2dk6 s GLN 79 Ca -0.02 0.08 -0.06 0.00 0.05 0.00 0.00 55.36 55.40 2dk6 s GLN 79 Cb -0.01 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 2dk6 s GLN 79 CO -0.05 0.56 0.04 1.41 -0.55 0.00 0.00 175.29 176.70 2dk6 s MET 80 N -2.00 3.63 -0.49 1.67 -2.45 0.15 -2.49 119.30 117.32 2dk6 s MET 80 Ca 0.33 -0.50 -0.18 0.00 -1.25 0.00 0.00 55.69 54.09 2dk6 s MET 80 Cb -0.13 -3.21 0.06 0.00 1.25 0.00 0.00 34.83 32.80 2dk6 s MET 80 CO 0.19 -0.11 0.53 -0.80 1.05 0.00 0.00 175.02 175.88 2dk6 s ASN 81 N 1.35 6.20 0.03 1.11 -0.87 -1.06 -1.54 114.94 120.16 2dk6 s ASN 81 Ca 0.05 -1.03 0.23 0.00 -1.57 0.00 0.00 52.86 50.54 2dk6 s ASN 81 Cb -0.15 -2.25 0.19 0.00 -0.02 0.00 0.00 41.25 39.03 2dk6 s ASN 81 CO 0.02 -0.78 1.17 0.18 -2.57 0.00 0.00 177.10 175.12 2dk6 n LEU 82 N 5.79 0.64 0.12 0.60 4.32 -1.22 -0.79 117.00 126.46 2dk6 n LEU 82 Ca -0.09 -0.08 -0.22 0.00 -0.02 0.00 0.00 56.01 55.61 2dk6 n LEU 82 Cb 0.45 -0.14 -0.15 0.00 -1.62 0.00 0.00 43.42 41.96 2dk6 n LEU 82 CO 0.51 0.10 -0.24 0.00 -1.22 0.00 0.00 177.39 176.54 2dk6 h THR 83 N 0.00 1.28 0.00 -5.08 1.03 -1.90 -3.40 112.91 104.84 2dk6 h THR 83 Ca 0.00 -2.78 -0.04 0.00 -0.01 0.00 0.00 66.41 63.57 2dk6 h THR 83 Cb 0.61 2.96 -0.01 0.00 -1.07 0.00 0.00 68.15 70.64 2dk6 h THR 83 CO 0.00 0.84 -1.25 0.35 -0.01 0.00 0.00 175.52 175.45 2dk6 n THR 84 N -3.63 0.17 -1.56 0.00 -2.24 -1.26 -5.04 114.28 100.73 2dk6 n THR 84 Ca -0.16 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2dk6 n THR 84 Cb 1.08 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 2.55 0.94 3.90 3.38 0.00 0.03 -5.09 105.19 110.89 2dk6 n GLY 85 Ca -0.04 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.25 2.33 -0.11 1.61 -0.14 -1.18 -4.95 119.74 114.04 2dk6 s LYS 86 Ca 0.00 -1.85 0.03 0.00 -1.36 0.00 0.00 55.97 52.79 2dk6 s LYS 86 Cb 0.00 -2.21 -0.00 0.00 -1.68 0.00 0.00 37.83 33.94 2dk6 s LYS 86 CO 0.00 -0.49 -0.21 1.14 -0.76 0.00 0.00 175.35 175.02 2dk6 s GLN 87 N -4.25 3.12 0.04 1.68 -2.07 -1.26 -2.57 119.66 114.35 2dk6 s GLN 87 Ca 0.41 -0.83 0.08 0.00 -1.82 0.00 0.00 55.36 53.19 2dk6 s GLN 87 Cb -0.02 -2.39 -0.03 0.00 -1.09 0.00 0.00 33.01 29.48 2dk6 s GLN 87 CO 0.25 0.16 -0.22 1.03 -1.32 0.00 0.00 175.29 175.19 2dk6 s ARG 88 N 0.41 1.49 0.22 9.60 0.52 -1.04 -5.02 118.95 125.14 2dk6 s ARG 88 Ca -0.16 -0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 2dk6 s ARG 88 Cb -0.17 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 2dk6 s ARG 88 CO 0.07 0.41 0.42 -0.51 0.02 0.00 0.00 175.30 175.71 2dk6 s LEU 89 N -1.13 4.20 0.03 2.53 1.43 -1.26 0.41 118.68 124.89 2dk6 s LEU 89 Ca 0.08 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2dk6 s LEU 89 Cb -0.09 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 2dk6 s LEU 89 CO 0.02 -0.07 -0.11 0.27 0.23 0.00 0.00 176.35 176.69 2dk6 s ILE 90 N -1.90 0.86 0.03 -0.59 -4.36 -1.21 -0.10 121.20 113.92 2dk6 s ILE 90 Ca 0.40 -0.90 0.03 0.00 -0.26 0.00 0.00 60.65 59.91 2dk6 s ILE 90 Cb -0.11 -0.80 -0.02 0.00 1.25 0.00 0.00 42.46 42.78 2dk6 s ILE 90 CO 0.29 -0.08 -0.09 -1.59 0.24 0.00 0.00 174.94 173.71 2dk6 s LYS 91 N -1.10 0.63 -0.28 0.37 -2.85 -1.13 -4.75 119.74 110.63 2dk6 s LYS 91 Ca -0.01 -0.59 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 2dk6 s LYS 91 Cb -0.07 -0.54 0.07 0.00 -2.06 0.00 0.00 37.83 35.23 2dk6 s LYS 91 CO 0.01 0.13 -0.07 0.50 0.10 0.00 0.00 175.35 176.02 2dk6 s ARG 92 N -1.00 2.03 0.14 1.78 3.52 -1.26 -1.45 118.95 122.71 2dk6 s ARG 92 Ca -0.03 -1.48 -0.03 0.00 -0.13 0.00 0.00 55.73 54.06 2dk6 s ARG 92 Cb -0.07 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 2dk6 s ARG 92 CO 0.00 -0.67 0.12 0.00 -0.81 0.00 0.00 175.30 173.94 2dk6 s ALA 93 N 1.05 0.68 0.55 6.12 0.00 -0.95 -4.96 121.76 124.25 2dk6 s ALA 93 Ca -0.04 -1.35 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 2dk6 s ALA 93 Cb -0.20 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2dk6 s ALA 93 CO -0.06 -0.53 1.13 -1.25 0.00 0.00 0.00 175.76 175.04 2dk6 s PRO 94 N -4.04 3.31 0.33 0.00 0.04 -1.26 0.04 135.00 133.42 2dk6 s PRO 94 Ca 0.23 1.59 0.10 0.00 0.04 0.00 0.00 61.00 62.96 2dk6 s PRO 94 Cb 0.06 -2.00 1.01 0.00 0.04 0.00 0.00 34.50 33.61 2dk6 s PRO 94 CO 0.02 -0.88 1.59 0.74 0.04 0.00 0.00 177.00 178.51 2dk6 h PHE 95 N 1.09 0.39 -3.61 0.56 -1.00 -1.63 -3.04 116.94 109.70 2dk6 h PHE 95 Ca -0.50 0.06 -0.74 0.00 2.81 0.00 0.00 57.97 59.60 2dk6 h PHE 95 Cb 1.26 -0.01 -0.31 0.00 3.61 0.00 0.00 35.95 40.50 2dk6 h PHE 95 CO 0.52 -0.42 -0.20 -1.54 -1.61 0.00 0.00 178.31 175.06 2dk6 s SER 96 N -4.82 5.87 0.08 2.17 1.04 -1.26 -4.96 113.70 111.82 2dk6 s SER 96 Ca -0.11 -2.65 -0.25 0.00 0.48 0.00 0.00 55.95 53.41 2dk6 s SER 96 Cb 0.31 -2.01 -0.10 0.00 0.10 0.00 0.00 66.02 64.32 2dk6 s SER 96 CO 0.78 -0.49 1.40 -1.28 0.98 0.00 0.00 173.24 174.63 2dk6 h SER 97 N 7.52 -1.20 -0.03 7.02 0.87 -1.92 -3.47 113.55 122.35 2dk6 h SER 97 Ca -0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2dk6 h SER 97 Cb 1.00 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 2dk6 h SER 97 CO 0.75 -0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.27 2dk6 n GLY 98 N -1.34 5.31 3.61 5.77 0.00 -1.26 -4.98 105.19 112.30 2dk6 n GLY 98 Ca -0.06 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 1.22 3.53 0.52 1.61 0.04 -1.26 -5.00 135.00 135.66 2dk6 s PRO 99 Ca 0.00 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.53 2dk6 s PRO 99 Cb 0.00 -4.11 0.05 0.00 0.04 0.00 0.00 34.50 30.48 2dk6 s PRO 99 CO 0.00 -1.62 0.60 -1.54 0.04 0.00 0.00 177.00 174.48 2dk6 s SER 100 N 5.10 5.03 -0.24 6.66 1.04 -1.26 -5.07 113.70 124.96 2dk6 s SER 100 Ca 0.74 -0.89 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 2dk6 s SER 100 Cb -0.22 0.09 -0.12 0.00 0.10 0.00 0.00 66.02 65.87 2dk6 s SER 100 CO 0.32 -1.11 -0.28 -1.20 0.98 0.00 0.00 173.24 171.95 2dk6 n SER 101 N -1.96 1.89 0.00 7.02 7.64 -1.26 -5.26 113.62 121.69 2dk6 n SER 101 Ca 0.08 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2dk6 n SER 101 Cb 0.62 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64