#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 2.79 0.04 1.61 0.01 -1.26 -5.15 113.70 111.75 2dk6 s SER 2 Ca 0.00 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 2dk6 s SER 2 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2dk6 s SER 2 CO 0.00 0.14 0.07 -0.94 0.41 0.00 0.00 173.24 172.92 2dk6 s SER 3 N -1.70 0.22 0.00 2.44 1.04 -1.26 -5.16 113.70 109.29 2dk6 s SER 3 Ca 0.09 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2dk6 s SER 3 Cb -0.10 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2dk6 s SER 3 CO 0.04 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2dk6 n GLY 4 N 0.68 3.73 3.27 7.32 0.00 -1.26 -5.18 105.19 113.77 2dk6 n GLY 4 Ca -0.18 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2dk6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk6 s SER 5 N 0.00 1.99 -0.14 1.61 1.04 -1.26 -5.16 113.70 111.78 2dk6 s SER 5 Ca 0.00 -1.02 -0.22 0.00 0.48 0.00 0.00 55.95 55.20 2dk6 s SER 5 Cb 0.00 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.13 2dk6 s SER 5 CO 0.00 -0.29 0.55 -0.44 0.98 0.00 0.00 173.24 174.04 2dk6 s SER 6 N -3.21 -0.54 0.00 7.02 0.01 -1.26 -5.02 113.70 110.70 2dk6 s SER 6 Ca 0.18 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.31 2dk6 s SER 6 Cb 0.02 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.12 2dk6 s SER 6 CO 0.02 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2dk6 n GLY 7 N 2.08 0.58 3.84 3.44 0.00 -1.26 -5.15 105.19 108.72 2dk6 n GLY 7 Ca -0.16 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 3.72 -0.20 1.61 4.22 -1.26 -5.10 114.94 117.93 2dk6 s ASN 8 Ca 0.00 0.80 -0.16 0.00 -2.14 0.00 0.00 52.86 51.36 2dk6 s ASN 8 Cb 0.00 -1.26 0.06 0.00 1.28 0.00 0.00 41.25 41.33 2dk6 s ASN 8 CO 0.00 -2.40 0.53 -1.83 -2.04 0.00 0.00 177.10 171.36 2dk6 s GLU 9 N -5.47 0.58 -0.34 3.55 -1.05 -1.26 -5.13 118.70 109.57 2dk6 s GLU 9 Ca 0.65 0.83 0.03 0.00 -0.15 0.00 0.00 54.97 56.32 2dk6 s GLU 9 Cb -0.12 0.19 0.09 0.00 -0.44 0.00 0.00 34.13 33.86 2dk6 s GLU 9 CO 0.52 -0.11 0.05 0.08 0.95 0.00 0.00 175.26 176.75 2dk6 s VAL 10 N 0.80 2.45 -0.04 1.83 1.01 -1.26 -4.90 120.40 120.29 2dk6 s VAL 10 Ca -0.04 -2.17 0.11 0.00 0.00 0.00 0.00 61.98 59.88 2dk6 s VAL 10 Cb -0.05 -2.73 -0.16 0.00 0.00 0.00 0.00 36.38 33.44 2dk6 s VAL 10 CO -0.06 -0.52 0.19 -0.90 0.00 0.00 0.00 175.10 173.81 2dk6 n ASP 11 N 4.34 2.37 -0.01 3.32 5.75 -1.26 -4.43 116.55 126.63 2dk6 n ASP 11 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 2dk6 n ASP 11 Cb 0.42 1.30 0.54 0.00 -1.03 0.00 0.00 41.12 42.35 2dk6 n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dk6 n ASP 12 N -2.04 0.18 -3.44 -1.12 2.03 -1.26 -4.90 116.55 106.00 2dk6 n ASP 12 Ca -0.07 0.15 -0.27 0.00 0.52 0.00 0.00 54.79 55.12 2dk6 n ASP 12 Cb 0.46 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.56 2dk6 n ASP 12 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2dk6 n MET 13 N -1.42 -0.97 -2.83 -0.67 2.81 -1.26 -4.81 117.12 107.96 2dk6 n MET 13 Ca 0.08 0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 2dk6 n MET 13 Cb 0.32 -3.28 -0.04 0.00 -0.71 0.00 0.00 33.22 29.52 2dk6 n MET 13 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2dk6 s ASP 14 N -2.44 7.11 -1.22 7.83 -1.08 -1.26 -3.99 116.67 121.61 2dk6 s ASP 14 Ca 0.52 1.36 -0.07 0.00 -0.52 0.00 0.00 52.55 53.84 2dk6 s ASP 14 Cb -0.30 -2.50 -0.01 0.00 -1.46 0.00 0.00 42.92 38.65 2dk6 s ASP 14 CO 0.64 -0.34 0.74 0.41 0.52 0.00 0.00 175.17 177.14 2dk6 n THR 15 N 4.39 -5.52 -3.63 1.71 -1.04 -1.26 -4.97 114.28 103.95 2dk6 n THR 15 Ca 0.05 -0.77 -0.29 0.00 -2.04 0.00 0.00 64.05 61.00 2dk6 n THR 15 Cb 0.50 -4.30 -0.12 0.00 -1.82 0.00 0.00 70.33 64.58 2dk6 n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dk6 s SER 16 N -3.95 3.26 -0.88 8.00 0.01 -1.26 -5.05 113.70 113.82 2dk6 s SER 16 Ca 0.21 -2.72 -0.25 0.00 1.31 0.00 0.00 55.95 54.49 2dk6 s SER 16 Cb -0.06 -0.86 -0.18 0.00 0.21 0.00 0.00 66.02 65.13 2dk6 s SER 16 CO 0.82 -0.24 2.29 -0.90 0.41 0.00 0.00 173.24 175.62 2dk6 n ASP 17 N 3.38 1.50 -4.34 2.44 5.75 -1.26 -4.86 116.55 119.16 2dk6 n ASP 17 Ca 0.14 -1.80 -0.45 0.00 -0.01 0.00 0.00 54.79 52.66 2dk6 n ASP 17 Cb 0.37 -1.64 -0.05 0.00 -1.03 0.00 0.00 41.12 38.77 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2dk6 s THR 18 N 15.17 5.02 -0.12 2.12 2.01 -1.26 -5.04 115.64 133.54 2dk6 s THR 18 Ca 0.89 -1.29 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 2dk6 s THR 18 Cb -0.12 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 2dk6 s THR 18 CO 0.13 -1.02 0.66 -1.10 -0.69 0.00 0.00 174.62 172.60 2dk6 s GLN 19 N 2.11 4.35 -0.09 4.92 -0.21 -1.26 -5.05 119.66 124.42 2dk6 s GLN 19 Ca 0.08 0.76 -0.20 0.00 0.02 0.00 0.00 55.36 56.02 2dk6 s GLN 19 Cb -0.26 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 2dk6 s GLN 19 CO 0.04 -0.04 0.55 -1.58 -2.12 0.00 0.00 175.29 172.14 2dk6 s TRP 20 N 1.20 3.55 0.11 0.91 0.52 -1.26 -3.35 118.94 120.62 2dk6 s TRP 20 Ca 0.33 1.02 0.05 0.00 0.02 0.00 0.00 56.10 57.53 2dk6 s TRP 20 Cb -0.17 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 2dk6 s TRP 20 CO 0.14 0.16 0.04 0.20 0.02 0.00 0.00 176.95 177.51 2dk6 s GLY 21 N 0.60 1.88 -0.06 0.98 0.00 0.41 -4.92 107.32 106.21 2dk6 s GLY 21 Ca 0.30 -1.14 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 2dk6 s GLY 21 CO 0.13 -1.13 -0.01 -0.98 0.00 0.00 0.00 173.10 171.11 2dk6 s TRP 22 N -1.45 3.09 0.13 1.90 0.52 -1.26 -1.39 118.94 120.47 2dk6 s TRP 22 Ca 0.27 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.53 2dk6 s TRP 22 Cb -0.11 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2dk6 s TRP 22 CO 0.20 0.44 -0.02 -0.06 0.02 0.00 0.00 176.95 177.52 2dk6 s PHE 23 N -0.93 0.99 -0.07 -1.98 0.40 -0.70 -2.36 117.98 113.32 2dk6 s PHE 23 Ca 0.15 -1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 55.45 2dk6 s PHE 23 Cb -0.11 -0.57 0.04 0.00 0.51 0.00 0.00 43.02 42.88 2dk6 s PHE 23 CO 0.04 -0.23 0.16 1.52 0.70 0.00 0.00 175.22 177.41 2dk6 s TYR 24 N -3.70 -0.18 0.46 0.36 1.13 -0.18 -2.06 117.35 113.18 2dk6 s TYR 24 Ca 0.17 0.51 -0.24 0.00 -1.41 0.00 0.00 57.07 56.10 2dk6 s TYR 24 Cb 0.06 -0.06 -0.07 0.00 -1.10 0.00 0.00 41.96 40.79 2dk6 s TYR 24 CO -0.01 -0.17 1.31 -1.17 -2.51 0.00 0.00 175.55 173.00 2dk6 s LEU 25 N 1.07 4.05 0.00 -3.49 2.96 0.64 -0.75 118.68 123.17 2dk6 s LEU 25 Ca -0.08 2.65 0.04 0.00 -0.22 0.00 0.00 54.13 56.52 2dk6 s LEU 25 Cb -0.10 -4.08 0.04 0.00 0.50 0.00 0.00 46.19 42.54 2dk6 s LEU 25 CO -0.06 -1.12 0.35 0.00 -1.32 0.00 0.00 176.35 174.20 2dk6 n ALA 26 N -0.38 0.59 0.09 5.97 0.00 -1.13 -4.57 120.51 121.07 2dk6 n ALA 26 Ca 0.07 -1.19 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 2dk6 n ALA 26 Cb 0.45 0.40 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 2dk6 n ALA 26 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2dk6 h GLU 27 N 0.00 0.24 -0.03 0.00 4.11 -1.95 -3.25 114.58 113.71 2dk6 h GLU 27 Ca -0.17 -0.34 -0.11 0.00 0.07 0.00 0.00 59.36 58.81 2dk6 h GLU 27 Cb 0.70 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2dk6 h GLU 27 CO 0.26 1.11 -0.50 0.00 0.07 0.00 0.00 179.01 179.94 2dk6 n GLY 29 N -0.05 1.55 2.76 0.00 0.00 -1.23 -5.13 105.19 103.09 2dk6 n GLY 29 Ca -0.02 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 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 30 N -0.17 0.61 -0.17 1.61 -0.14 -1.26 -4.91 119.74 115.30 2dk6 s LYS 30 Ca 0.00 0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.33 2dk6 s LYS 30 Cb 0.00 -1.19 -0.04 0.00 -1.68 0.00 0.00 37.83 34.92 2dk6 s LYS 30 CO 0.00 -0.37 1.74 -1.58 -0.76 0.00 0.00 175.35 174.38 2dk6 s TRP 31 N 1.96 1.86 -0.13 3.18 0.52 -1.26 -2.85 118.94 122.22 2dk6 s TRP 31 Ca 0.04 0.37 -0.06 0.00 0.02 0.00 0.00 56.10 56.47 2dk6 s TRP 31 Cb -0.13 -4.00 -0.04 0.00 -1.15 0.00 0.00 33.47 28.15 2dk6 s TRP 31 CO -0.06 -3.53 0.10 -1.01 0.02 0.00 0.00 176.95 172.48 2dk6 s HIS 32 N 5.38 3.46 0.58 -1.98 3.76 0.07 -4.80 115.29 121.77 2dk6 s HIS 32 Ca 0.78 0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 55.92 2dk6 s HIS 32 Cb -0.29 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 2dk6 s HIS 32 CO 0.32 0.57 1.06 1.41 -0.85 0.00 0.00 174.74 177.25 2dk6 s MET 33 N -0.68 3.34 -0.47 1.40 1.75 -1.26 -1.02 119.30 122.37 2dk6 s MET 33 Ca 0.13 1.24 -0.29 0.00 -1.25 0.00 0.00 55.69 55.52 2dk6 s MET 33 Cb -0.12 -2.03 0.02 0.00 2.84 0.00 0.00 34.83 35.54 2dk6 s MET 33 CO 0.03 -0.79 1.31 -0.06 -0.65 0.00 0.00 175.02 174.85 2dk6 s PHE 34 N -2.37 2.53 -0.02 4.11 0.08 -1.00 -4.90 117.98 116.41 2dk6 s PHE 34 Ca 0.64 0.64 0.01 0.00 0.12 0.00 0.00 56.93 58.34 2dk6 s PHE 34 Cb -0.17 -4.38 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dk6 s PHE 34 CO 0.35 -1.73 0.00 -0.65 -0.10 0.00 0.00 175.22 173.09 2dk6 s GLN 35 N 4.87 2.82 0.43 0.44 1.11 -1.26 -2.65 119.66 125.42 2dk6 s GLN 35 Ca 0.55 -0.58 -0.24 0.00 0.01 0.00 0.00 55.36 55.10 2dk6 s GLN 35 Cb -0.11 -2.69 -0.08 0.00 -1.01 0.00 0.00 33.01 29.12 2dk6 s GLN 35 CO 0.31 0.64 1.18 -1.25 0.01 0.00 0.00 175.29 176.18 2dk6 s PRO 36 N -1.44 3.92 -0.19 2.91 0.04 -1.26 -4.54 135.00 134.43 2dk6 s PRO 36 Ca 0.18 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 2dk6 s PRO 36 Cb -0.11 -2.57 0.06 0.00 0.04 0.00 0.00 34.50 31.91 2dk6 s PRO 36 CO 0.09 -0.44 0.50 -0.51 0.04 0.00 0.00 177.00 176.69 2dk6 s ASP 37 N -1.20 -0.57 -0.16 6.66 1.01 -1.20 -4.86 116.67 116.35 2dk6 s ASP 37 Ca 0.60 1.04 -0.10 0.00 0.71 0.00 0.00 52.55 54.81 2dk6 s ASP 37 Cb -0.30 1.01 -0.07 0.00 1.01 0.00 0.00 42.92 44.57 2dk6 s ASP 37 CO 0.38 -0.19 -0.23 1.07 0.21 0.00 0.00 175.17 176.41 2dk6 n THR 38 N 3.33 1.10 -0.04 -1.27 5.66 -1.26 -1.79 114.28 120.00 2dk6 n THR 38 Ca -0.17 -0.13 -0.09 0.00 -3.05 0.00 0.00 64.05 60.61 2dk6 n THR 38 Cb 0.56 -1.83 -0.03 0.00 -1.55 0.00 0.00 70.33 67.48 2dk6 n THR 38 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2dk6 n ASN 39 N -3.89 1.34 -4.58 1.09 2.85 -1.26 -4.44 115.26 106.37 2dk6 n ASN 39 Ca -0.29 0.22 -0.42 0.00 -0.11 0.00 0.00 54.58 53.98 2dk6 n ASN 39 Cb 0.65 -0.50 -0.03 0.00 1.24 0.00 0.00 39.78 41.14 2dk6 n ASN 39 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2dk6 s SER 40 N -6.11 6.12 -1.48 1.20 1.04 -1.26 -3.50 113.70 109.71 2dk6 s SER 40 Ca -0.18 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 2dk6 s SER 40 Cb 0.05 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.68 2dk6 s SER 40 CO 0.24 -1.68 1.00 0.00 0.98 0.00 0.00 173.24 173.78 2dk6 n GLN 41 N 8.54 -6.08 -1.04 4.02 3.00 -1.26 -4.79 117.38 119.77 2dk6 n GLN 41 Ca 0.14 0.67 -0.38 0.00 -0.01 0.00 0.00 57.00 57.43 2dk6 n GLN 41 Cb 0.49 -5.60 -0.04 0.00 0.00 0.00 0.00 30.24 25.09 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dk6 s SER 43 N -0.44 0.00 0.18 0.00 0.01 -0.74 -3.84 113.70 108.87 2dk6 s SER 43 Ca 0.54 -0.99 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 2dk6 s SER 43 Cb -0.77 0.74 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 2dk6 s SER 43 CO 0.41 -1.46 0.56 0.68 0.41 0.00 0.00 173.24 173.84 2dk6 s VAL 44 N -2.28 4.85 0.45 3.43 -7.23 -1.26 -3.26 120.40 115.11 2dk6 s VAL 44 Ca 0.17 0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 60.93 2dk6 s VAL 44 Cb -0.04 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 2dk6 s VAL 44 CO 0.09 0.15 0.94 -0.44 -0.31 0.00 0.00 175.10 175.54 2dk6 s SER 45 N -1.88 6.79 0.62 4.85 0.01 -1.26 -4.33 113.70 118.50 2dk6 s SER 45 Ca 0.41 1.59 0.19 0.00 1.31 0.00 0.00 55.95 59.45 2dk6 s SER 45 Cb -0.14 -2.51 1.05 0.00 0.21 0.00 0.00 66.02 64.63 2dk6 s SER 45 CO 0.20 -0.44 1.57 0.77 0.41 0.00 0.00 173.24 175.75 2dk6 h SER 46 N 1.53 0.00 0.02 2.44 4.64 -1.84 0.17 113.55 120.51 2dk6 h SER 46 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2dk6 h SER 46 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dk6 h SER 46 CO 0.62 0.00 -0.16 -0.08 -0.87 0.00 0.00 176.83 176.33 2dk6 h GLU 47 N 0.00 0.08 0.27 4.77 4.81 -1.90 -3.06 114.58 119.55 2dk6 h GLU 47 Ca 0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2dk6 h GLU 47 Cb 1.04 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 2dk6 h GLU 47 CO 0.00 0.96 -0.37 0.22 -0.73 0.00 0.00 179.01 179.08 2dk6 h ASP 48 N -0.74 -1.05 -0.38 1.04 1.82 -1.02 0.21 116.42 116.30 2dk6 h ASP 48 Ca -0.03 0.09 0.06 0.00 -0.39 0.00 0.00 57.03 56.77 2dk6 h ASP 48 Cb 1.03 0.36 -0.09 0.00 0.68 0.00 0.00 39.33 41.31 2dk6 h ASP 48 CO 0.03 -0.46 -0.45 0.40 -1.61 0.00 0.00 179.24 177.15 2dk6 h ILE 49 N -0.67 0.09 0.01 2.25 2.04 -1.69 -2.09 117.51 117.46 2dk6 h ILE 49 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2dk6 h ILE 49 Cb 0.60 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 2dk6 h ILE 49 CO -0.10 0.00 -0.38 -0.08 0.00 0.00 0.00 178.15 177.58 2dk6 h GLU 50 N -0.36 -0.53 -1.04 2.37 4.57 -1.42 -0.99 114.58 117.19 2dk6 h GLU 50 Ca 0.12 0.04 0.41 0.00 -1.18 0.00 0.00 59.36 58.75 2dk6 h GLU 50 Cb 0.59 0.12 -0.16 0.00 -0.16 0.00 0.00 28.75 29.14 2dk6 h GLU 50 CO -0.56 -0.35 0.59 1.17 -1.18 0.00 0.00 179.01 178.68 2dk6 n LYS 51 N -5.44 -0.05 0.11 1.92 4.81 0.71 -1.02 118.16 119.20 2dk6 n LYS 51 Ca -0.06 1.27 -0.05 0.00 -0.87 0.00 0.00 58.31 58.61 2dk6 n LYS 51 Cb 0.36 -2.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.04 2dk6 n LYS 51 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2dk6 h SER 52 N 0.00 -0.27 -1.56 3.14 0.02 -0.79 -3.21 113.55 110.87 2dk6 h SER 52 Ca 0.81 0.01 0.49 0.00 -0.84 0.00 0.00 61.79 62.26 2dk6 h SER 52 Cb 2.27 0.07 -0.10 0.00 0.14 0.00 0.00 62.40 64.78 2dk6 h SER 52 CO -0.66 -0.05 1.08 0.33 -1.14 0.00 0.00 176.83 176.39 2dk6 n PHE 53 N -3.66 0.31 0.22 3.45 -0.00 -0.19 -0.44 117.46 117.14 2dk6 n PHE 53 Ca -0.04 0.31 -0.10 0.00 -0.00 0.00 0.00 57.45 57.62 2dk6 n PHE 53 Cb 0.13 -0.75 -0.05 0.00 -0.00 0.00 0.00 39.48 38.81 2dk6 n PHE 53 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 2dk6 h LYS 54 N 0.00 -0.58 -0.61 -4.13 1.57 -1.29 0.17 116.57 111.69 2dk6 h LYS 54 Ca 0.84 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.59 2dk6 h LYS 54 Cb 3.07 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 35.49 2dk6 h LYS 54 CO -0.21 -0.39 0.10 0.00 -0.57 0.00 0.00 179.45 178.39 2dk6 h THR 55 N -0.61 1.25 -2.94 -0.16 1.03 -0.82 -3.35 112.91 107.32 2dk6 h THR 55 Ca -0.05 -0.97 -0.61 0.00 -0.01 0.00 0.00 66.41 64.76 2dk6 h THR 55 Cb 0.48 0.67 -0.41 0.00 -1.07 0.00 0.00 68.15 67.82 2dk6 h THR 55 CO 0.06 0.36 -0.69 0.54 -0.01 0.00 0.00 175.52 175.78 2dk6 s ASN 56 N -6.54 3.90 0.30 0.00 4.22 0.04 -4.92 114.94 111.92 2dk6 s ASN 56 Ca -0.11 -3.46 0.25 0.00 -2.14 0.00 0.00 52.86 47.40 2dk6 s ASN 56 Cb 0.15 -1.30 1.04 0.00 1.28 0.00 0.00 41.25 42.41 2dk6 s ASN 56 CO 0.83 -0.14 1.75 1.55 -2.04 0.00 0.00 177.10 179.05 2dk6 h PRO 57 N 5.70 0.00 -0.73 3.55 0.13 -0.80 -3.08 132.00 136.77 2dk6 h PRO 57 Ca 0.13 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.83 2dk6 h PRO 57 Cb 0.82 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.53 2dk6 h PRO 57 CO 0.61 0.00 -0.94 0.00 -0.23 0.00 0.00 178.00 177.44 2dk6 n GLY 59 N -0.61 5.38 3.60 0.00 0.00 -1.16 -4.60 105.19 107.80 2dk6 n GLY 59 Ca 0.29 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.73 -0.39 1.61 1.04 -1.26 -1.87 113.70 113.11 2dk6 s SER 60 Ca 0.00 1.28 -0.08 0.00 0.48 0.00 0.00 55.95 57.62 2dk6 s SER 60 Cb 0.00 1.25 0.06 0.00 0.10 0.00 0.00 66.02 67.43 2dk6 s SER 60 CO 0.00 -0.33 0.20 -0.51 0.98 0.00 0.00 173.24 173.58 2dk6 s ILE 61 N 0.02 4.10 -0.13 -1.02 2.07 -0.86 -4.96 121.20 120.42 2dk6 s ILE 61 Ca -0.02 -1.27 -0.24 0.00 -1.41 0.00 0.00 60.65 57.70 2dk6 s ILE 61 Cb -0.04 -3.43 -0.03 0.00 0.13 0.00 0.00 42.46 39.09 2dk6 s ILE 61 CO 0.03 -0.38 0.74 -0.94 -1.91 0.00 0.00 174.94 172.49 2dk6 s SER 62 N 1.80 6.93 0.07 4.50 1.04 -1.26 -3.29 113.70 123.50 2dk6 s SER 62 Ca 0.02 1.13 -0.13 0.00 0.48 0.00 0.00 55.95 57.45 2dk6 s SER 62 Cb -0.21 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.50 2dk6 s SER 62 CO 0.03 -0.25 0.30 0.72 0.98 0.00 0.00 173.24 175.01 2dk6 s PHE 63 N 1.52 -0.06 -0.10 5.02 -0.12 -1.04 -5.07 117.98 118.12 2dk6 s PHE 63 Ca 0.37 -0.19 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 2dk6 s PHE 63 Cb -0.17 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 2dk6 s PHE 63 CO 0.15 -0.56 -0.14 0.95 -0.05 0.00 0.00 175.22 175.57 2dk6 s THR 64 N -3.17 1.42 0.24 -4.49 -4.23 -1.26 -1.55 115.64 102.60 2dk6 s THR 64 Ca -0.01 -0.60 -0.14 0.00 -1.18 0.00 0.00 61.69 59.77 2dk6 s THR 64 Cb 0.01 -1.31 -0.00 0.00 1.34 0.00 0.00 72.50 72.55 2dk6 s THR 64 CO -0.07 0.43 0.49 0.28 -0.54 0.00 0.00 174.62 175.20 2dk6 s THR 65 N 1.00 0.01 -1.34 3.99 -1.32 0.23 -4.94 115.64 113.26 2dk6 s THR 65 Ca -0.07 -1.32 -0.07 0.00 -1.21 0.00 0.00 61.69 59.02 2dk6 s THR 65 Cb -0.15 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 2dk6 s THR 65 CO -0.01 -0.03 0.49 -0.24 -2.21 0.00 0.00 174.62 172.61 2dk6 n SER 66 N -0.37 -1.56 -3.90 8.08 2.88 -1.25 -0.30 113.62 117.20 2dk6 n SER 66 Ca -0.03 -1.05 -0.30 0.00 -1.33 0.00 0.00 58.87 56.16 2dk6 n SER 66 Cb 0.62 -2.92 -0.05 0.00 -0.75 0.00 0.00 64.21 61.11 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 -4.42 -1.82 -3.54 -1.46 2.85 -1.26 -4.87 118.16 103.65 2dk6 n LYS 67 Ca -0.25 0.17 -0.17 0.00 -1.05 0.00 0.00 58.31 57.01 2dk6 n LYS 67 Cb 0.66 -4.77 -0.06 0.00 -0.65 0.00 0.00 35.03 30.21 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 -2.93 -0.61 0.05 5.58 0.08 0.59 -5.13 117.98 115.62 2dk6 s PHE 68 Ca 0.58 0.99 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 2dk6 s PHE 68 Cb -0.33 0.39 -0.06 0.00 -0.57 0.00 0.00 43.02 42.45 2dk6 s PHE 68 CO 0.71 -0.60 0.41 -1.12 -0.10 0.00 0.00 175.22 174.52 2dk6 s SER 69 N -1.31 6.72 0.01 1.36 0.01 -1.26 -0.60 113.70 118.64 2dk6 s SER 69 Ca -0.10 0.88 -0.00 0.00 1.31 0.00 0.00 55.95 58.04 2dk6 s SER 69 Cb -0.01 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2dk6 s SER 69 CO 0.08 0.23 -0.02 -0.31 0.41 0.00 0.00 173.24 173.63 2dk6 s TYR 70 N -1.27 0.16 -0.01 2.43 2.02 -0.60 -3.58 117.35 116.50 2dk6 s TYR 70 Ca 0.29 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.70 2dk6 s TYR 70 Cb -0.15 -0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.29 2dk6 s TYR 70 CO 0.16 -0.12 -0.09 0.21 -1.57 0.00 0.00 175.55 174.14 2dk6 s LYS 71 N -0.90 0.77 -0.26 -0.62 2.20 0.02 -2.51 119.74 118.44 2dk6 s LYS 71 Ca -0.10 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 2dk6 s LYS 71 Cb -0.06 -0.74 0.07 0.00 -1.51 0.00 0.00 37.83 35.59 2dk6 s LYS 71 CO -0.01 0.18 -0.03 0.42 -0.36 0.00 0.00 175.35 175.55 2dk6 s ILE 72 N -0.15 1.69 -0.61 5.43 1.01 -1.21 0.13 121.20 127.50 2dk6 s ILE 72 Ca 0.02 -1.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.00 2dk6 s ILE 72 Cb -0.04 -2.00 0.10 0.00 0.01 0.00 0.00 42.46 40.53 2dk6 s ILE 72 CO -0.00 -0.22 0.74 -1.81 0.00 0.00 0.00 174.94 173.64 2dk6 s ASP 73 N 1.29 6.20 0.15 3.58 1.11 -0.87 -2.04 116.67 126.10 2dk6 s ASP 73 Ca -0.02 -1.44 -0.16 0.00 0.18 0.00 0.00 52.55 51.11 2dk6 s ASP 73 Cb -0.19 -2.31 0.01 0.00 1.07 0.00 0.00 42.92 41.50 2dk6 s ASP 73 CO -0.08 -1.13 1.80 -0.26 1.18 0.00 0.00 175.17 176.67 2dk6 h PHE 74 N 9.19 0.53 -1.00 4.23 0.04 -1.60 -1.61 116.94 126.72 2dk6 h PHE 74 Ca -0.28 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.67 2dk6 h PHE 74 Cb 1.08 -0.18 -0.10 0.00 2.20 0.00 0.00 35.95 38.96 2dk6 h PHE 74 CO 0.86 0.35 0.61 0.00 -0.60 0.00 0.00 178.31 179.53 2dk6 h ALA 75 N 1.13 1.61 0.00 2.45 0.00 -1.68 0.48 119.26 123.25 2dk6 h ALA 75 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dk6 h ALA 75 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2dk6 h ALA 75 CO -0.03 0.02 -0.06 0.39 0.00 0.00 0.00 179.25 179.57 2dk6 n GLU 76 N -4.74 0.11 -3.36 0.00 -0.58 -0.93 -4.93 120.64 106.22 2dk6 n GLU 76 Ca 0.22 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.83 2dk6 n GLU 76 Cb 0.51 -1.62 0.06 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.80 -6.50 -3.58 3.49 2.81 0.17 -4.99 117.12 106.72 2dk6 n MET 77 Ca 0.06 0.75 -0.09 0.00 -1.81 0.00 0.00 57.70 56.61 2dk6 n MET 77 Cb 0.38 -5.47 -0.02 0.00 -0.71 0.00 0.00 33.22 27.39 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 -6.04 1.29 -0.18 0.03 -2.85 -1.07 -2.55 119.74 108.37 2dk6 s LYS 78 Ca 0.47 -0.58 -0.11 0.00 -1.00 0.00 0.00 55.97 54.75 2dk6 s LYS 78 Cb -0.21 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 2dk6 s LYS 78 CO 0.58 -0.57 0.19 -1.14 0.10 0.00 0.00 175.35 174.50 2dk6 s GLN 79 N -3.60 4.16 -0.32 1.78 0.74 0.62 -2.04 119.66 120.99 2dk6 s GLN 79 Ca 0.05 -0.10 -0.11 0.00 0.05 0.00 0.00 55.36 55.25 2dk6 s GLN 79 Cb -0.02 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 2dk6 s GLN 79 CO -0.06 0.32 0.19 1.41 -0.55 0.00 0.00 175.29 176.60 2dk6 s MET 80 N 0.28 3.48 0.22 1.67 -2.45 0.35 -3.43 119.30 119.42 2dk6 s MET 80 Ca 0.11 -0.63 -0.10 0.00 -1.25 0.00 0.00 55.69 53.82 2dk6 s MET 80 Cb -0.12 -3.67 -0.07 0.00 1.25 0.00 0.00 34.83 32.22 2dk6 s MET 80 CO 0.00 -0.39 0.54 1.21 1.05 0.00 0.00 175.02 177.43 2dk6 s ASN 81 N 1.68 6.63 0.00 1.11 2.47 -1.24 -0.80 114.94 124.79 2dk6 s ASN 81 Ca 0.06 0.92 0.00 0.00 0.42 0.00 0.00 52.86 54.25 2dk6 s ASN 81 Cb -0.17 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2dk6 s ASN 81 CO 0.09 -0.06 0.00 0.18 -3.72 0.00 0.00 177.10 173.58 2dk6 n LEU 82 N -0.09 0.00 0.07 3.21 7.99 -1.24 -3.95 117.00 122.99 2dk6 n LEU 82 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.88 2dk6 n LEU 82 Cb 0.52 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.75 2dk6 n LEU 82 CO 0.45 0.00 0.56 0.00 -1.51 0.00 0.00 177.39 176.89 2dk6 h THR 83 N 0.00 0.97 0.00 -5.08 1.03 -1.94 -3.38 112.91 104.51 2dk6 h THR 83 Ca 0.00 -0.87 -0.01 0.00 -0.01 0.00 0.00 66.41 65.52 2dk6 h THR 83 Cb 0.58 1.48 -0.00 0.00 -1.07 0.00 0.00 68.15 69.14 2dk6 h THR 83 CO 0.00 0.19 -1.47 0.35 -0.01 0.00 0.00 175.52 174.58 2dk6 n THR 84 N -4.99 0.03 -2.11 0.00 -2.24 -1.26 -5.02 114.28 98.68 2dk6 n THR 84 Ca -0.09 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 2dk6 n THR 84 Cb 0.25 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.95 0.32 3.73 3.38 0.00 -1.25 -5.02 105.19 108.29 2dk6 n GLY 85 Ca -0.02 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.24 4.40 -0.02 1.61 -0.14 -1.26 -4.87 119.74 115.22 2dk6 s LYS 86 Ca 0.01 0.78 -0.19 0.00 -1.36 0.00 0.00 55.97 55.21 2dk6 s LYS 86 Cb -0.00 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 2dk6 s LYS 86 CO 0.01 0.16 0.53 -1.14 -0.76 0.00 0.00 175.35 174.14 2dk6 s GLN 87 N 0.52 4.23 -0.13 1.68 0.74 -1.26 -3.67 119.66 121.77 2dk6 s GLN 87 Ca 0.34 0.61 -0.05 0.00 0.05 0.00 0.00 55.36 56.30 2dk6 s GLN 87 Cb -0.17 -3.33 0.06 0.00 1.10 0.00 0.00 33.01 30.67 2dk6 s GLN 87 CO 0.17 0.41 0.27 1.03 -0.55 0.00 0.00 175.29 176.62 2dk6 s ARG 88 N -0.28 0.17 0.37 1.67 0.52 -1.22 -5.01 118.95 115.16 2dk6 s ARG 88 Ca 0.28 0.73 -0.25 0.00 -0.52 0.00 0.00 55.73 55.97 2dk6 s ARG 88 Cb -0.17 -0.03 -0.09 0.00 0.52 0.00 0.00 34.95 35.18 2dk6 s ARG 88 CO 0.15 -0.26 1.03 -0.51 0.02 0.00 0.00 175.30 175.74 2dk6 s LEU 89 N 2.21 4.24 0.00 2.53 2.01 -1.26 -0.28 118.68 128.13 2dk6 s LEU 89 Ca -0.01 2.03 0.03 0.00 0.01 0.00 0.00 54.13 56.19 2dk6 s LEU 89 Cb -0.12 -4.07 0.03 0.00 0.01 0.00 0.00 46.19 42.04 2dk6 s LEU 89 CO -0.09 -0.35 0.23 2.30 1.01 0.00 0.00 176.35 179.45 2dk6 n ILE 90 N 0.25 0.00 -3.62 -0.59 -5.35 -1.06 -0.26 119.36 108.73 2dk6 n ILE 90 Ca 0.03 -1.55 -0.08 0.00 -0.27 0.00 0.00 62.75 60.89 2dk6 n ILE 90 Cb 0.49 -0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 38.26 2dk6 n ILE 90 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2dk6 s LYS 91 N -3.51 0.39 -0.18 6.28 -2.85 -0.87 -4.81 119.74 114.20 2dk6 s LYS 91 Ca 0.17 0.28 -0.03 0.00 -1.00 0.00 0.00 55.97 55.39 2dk6 s LYS 91 Cb -0.01 0.19 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2dk6 s LYS 91 CO 0.11 -0.09 -0.05 0.50 0.10 0.00 0.00 175.35 175.92 2dk6 s ARG 92 N -0.40 3.51 -0.00 1.78 3.52 -1.26 -1.73 118.95 124.37 2dk6 s ARG 92 Ca 0.03 -0.59 -0.25 0.00 -0.13 0.00 0.00 55.73 54.79 2dk6 s ARG 92 Cb -0.03 -2.90 0.06 0.00 -1.56 0.00 0.00 34.95 30.51 2dk6 s ARG 92 CO -0.06 0.07 0.55 0.00 -0.81 0.00 0.00 175.30 175.06 2dk6 s ALA 93 N 0.79 -1.43 0.60 6.12 0.00 -0.49 -5.00 121.76 122.35 2dk6 s ALA 93 Ca -0.02 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 2dk6 s ALA 93 Cb -0.15 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2dk6 s ALA 93 CO 0.02 -0.41 1.12 -1.25 0.00 0.00 0.00 175.76 175.24 2dk6 s PRO 94 N -1.73 3.08 0.02 0.00 0.04 -1.26 -0.44 135.00 134.71 2dk6 s PRO 94 Ca -0.09 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 2dk6 s PRO 94 Cb -0.01 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.38 2dk6 s PRO 94 CO 0.04 -1.04 1.38 0.74 0.04 0.00 0.00 177.00 178.16 2dk6 h PHE 95 N 0.62 -0.28 -3.77 0.56 0.04 -1.90 -3.44 116.94 108.77 2dk6 h PHE 95 Ca -0.48 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 59.74 2dk6 h PHE 95 Cb 1.25 0.09 -0.21 0.00 2.20 0.00 0.00 35.95 39.29 2dk6 h PHE 95 CO 0.53 0.01 -0.81 -1.54 -0.60 0.00 0.00 178.31 175.90 2dk6 s SER 96 N -5.15 2.52 0.02 2.17 1.04 -1.26 -5.10 113.70 107.94 2dk6 s SER 96 Ca -0.15 -0.73 0.06 0.00 0.48 0.00 0.00 55.95 55.62 2dk6 s SER 96 Cb 0.03 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2dk6 s SER 96 CO 0.60 0.02 -0.18 -0.55 0.98 0.00 0.00 173.24 174.12 2dk6 s SER 97 N -2.09 2.09 0.00 7.02 0.15 -1.26 -4.98 113.70 114.63 2dk6 s SER 97 Ca 0.08 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2dk6 s SER 97 Cb -0.09 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2dk6 s SER 97 CO 0.05 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dk6 n GLY 98 N 2.17 0.44 0.21 9.45 0.00 -1.26 -4.76 105.19 111.43 2dk6 n GLY 98 Ca -0.16 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.48 2dk6 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk6 h PRO 99 N 0.00 0.00 -5.10 1.61 0.13 -2.01 -3.44 132.00 123.20 2dk6 h PRO 99 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 2dk6 h PRO 99 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2dk6 h PRO 99 CO 0.00 0.00 1.63 0.43 -0.23 0.00 0.00 178.00 179.83 2dk6 n SER 100 N -2.66 -0.24 -4.60 1.44 7.64 -1.26 -4.76 113.62 109.17 2dk6 n SER 100 Ca 0.01 -0.51 -0.48 0.00 1.01 0.00 0.00 58.87 58.90 2dk6 n SER 100 Cb 0.26 -0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 62.53 2dk6 n SER 100 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk6 n SER 101 N 9.59 3.05 0.00 6.43 2.88 -1.26 -5.08 113.62 129.24 2dk6 n SER 101 Ca 0.62 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2dk6 n SER 101 Cb 0.19 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42