#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 0.32 -7.09 1.61 4.64 -2.06 -3.45 113.55 107.51 2dk6 h SER 2 Ca 0.00 0.07 -0.61 0.00 -0.47 0.00 0.00 61.79 60.78 2dk6 h SER 2 Cb 0.00 0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 61.80 2dk6 h SER 2 CO 0.00 0.19 -0.91 -1.54 -0.87 0.00 0.00 176.83 173.70 2dk6 n SER 3 N -4.94 -1.51 0.00 4.97 3.41 -1.26 -4.91 113.62 109.38 2dk6 n SER 3 Ca 0.09 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2dk6 n SER 3 Cb 0.26 -1.83 0.00 0.00 -0.26 0.00 0.00 64.21 62.38 2dk6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk6 n GLY 4 N -1.42 -2.68 3.51 5.00 0.00 -1.26 -4.81 105.19 103.53 2dk6 n GLY 4 Ca 0.02 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -5.27 -3.47 1.61 2.88 -1.26 -4.99 113.62 103.12 2dk6 n SER 5 Ca 0.00 -0.55 -0.14 0.00 -1.33 0.00 0.00 58.87 56.85 2dk6 n SER 5 Cb 0.00 -4.96 -0.04 0.00 -0.75 0.00 0.00 64.21 58.46 2dk6 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dk6 s SER 6 N -3.56 -0.59 0.00 -3.46 1.04 -1.26 -5.10 113.70 100.76 2dk6 s SER 6 Ca 0.44 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2dk6 s SER 6 Cb -0.19 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2dk6 s SER 6 CO 0.71 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dk6 n GLY 7 N 0.20 0.90 3.85 7.32 0.00 -1.26 -4.99 105.19 111.21 2dk6 n GLY 7 Ca -0.17 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 2dk6 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dk6 s ASN 8 N -4.00 -0.26 0.14 1.61 -0.87 -1.26 -5.13 114.94 105.17 2dk6 s ASN 8 Ca 0.00 -0.62 -0.23 0.00 -1.57 0.00 0.00 52.86 50.44 2dk6 s ASN 8 Cb 0.00 0.73 -0.14 0.00 -0.02 0.00 0.00 41.25 41.82 2dk6 s ASN 8 CO 0.00 -1.35 0.46 -1.84 -2.57 0.00 0.00 177.10 171.80 2dk6 n GLU 9 N -0.46 0.00 -0.04 -0.60 0.00 -1.26 -4.88 120.64 113.41 2dk6 n GLU 9 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.08 2dk6 n GLU 9 Cb 0.59 -0.83 -0.14 0.00 0.00 0.00 0.00 31.44 31.07 2dk6 n GLU 9 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2dk6 n VAL 10 N 0.13 1.18 -1.66 3.84 0.24 -1.26 -4.95 118.33 115.85 2dk6 n VAL 10 Ca 0.14 -0.75 -0.44 0.00 -2.04 0.00 0.00 64.34 61.25 2dk6 n VAL 10 Cb 0.18 -0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 31.96 2dk6 n VAL 10 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2dk6 n ASP 11 N -2.77 2.38 -4.78 -1.34 -0.08 -1.26 -5.00 116.55 103.69 2dk6 n ASP 11 Ca -0.20 1.19 -0.22 0.00 -1.51 0.00 0.00 54.79 54.05 2dk6 n ASP 11 Cb 0.97 -1.42 -0.05 0.00 2.34 0.00 0.00 41.12 42.96 2dk6 n ASP 11 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dk6 s ASP 12 N -0.26 5.16 0.07 1.67 2.15 -1.26 -5.04 116.67 119.16 2dk6 s ASP 12 Ca 0.59 -0.45 -0.08 0.00 0.43 0.00 0.00 52.55 53.03 2dk6 s ASP 12 Cb -0.62 -1.11 -0.28 0.00 -0.30 0.00 0.00 42.92 40.60 2dk6 s ASP 12 CO 0.59 -0.13 1.12 0.00 -0.17 0.00 0.00 175.17 176.58 2dk6 h MET 13 N 1.53 0.40 -4.80 4.34 -0.00 -2.03 -3.42 114.93 110.94 2dk6 h MET 13 Ca -0.46 -0.62 -0.68 0.00 -0.00 0.00 0.00 59.70 57.94 2dk6 h MET 13 Cb 1.25 0.22 -0.34 0.00 -0.00 0.00 0.00 31.60 32.73 2dk6 h MET 13 CO 0.60 1.28 -0.73 0.34 -0.00 0.00 0.00 176.91 178.40 2dk6 s ASP 14 N -7.29 4.74 0.06 -0.10 2.15 -1.26 -5.10 116.67 109.88 2dk6 s ASP 14 Ca -0.06 -1.32 0.02 0.00 0.43 0.00 0.00 52.55 51.62 2dk6 s ASP 14 Cb 0.06 -1.66 -0.03 0.00 -0.30 0.00 0.00 42.92 41.00 2dk6 s ASP 14 CO 0.90 -0.24 -0.07 0.42 -0.17 0.00 0.00 175.17 176.02 2dk6 s THR 15 N 1.20 0.56 -0.00 1.71 -4.23 -1.26 -5.07 115.64 108.54 2dk6 s THR 15 Ca -0.06 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 2dk6 s THR 15 Cb -0.20 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 2dk6 s THR 15 CO -0.02 -0.54 -0.06 -0.24 -0.54 0.00 0.00 174.62 173.22 2dk6 n SER 16 N 1.02 0.76 -4.40 3.99 2.88 -1.26 -4.87 113.62 111.74 2dk6 n SER 16 Ca -0.20 0.11 -0.44 0.00 -1.33 0.00 0.00 58.87 57.02 2dk6 n SER 16 Cb 0.56 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2dk6 n SER 16 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dk6 n ASP 17 N -3.42 5.20 -4.14 -3.46 9.92 -1.26 -4.95 116.55 114.44 2dk6 n ASP 17 Ca -0.06 -2.99 -0.33 0.00 -0.53 0.00 0.00 54.79 50.87 2dk6 n ASP 17 Cb 0.35 -1.57 -0.15 0.00 -0.64 0.00 0.00 41.12 39.11 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2dk6 s THR 18 N 1.52 2.39 0.18 -3.53 2.01 -1.26 -5.10 115.64 111.84 2dk6 s THR 18 Ca 0.43 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 2dk6 s THR 18 Cb -0.01 -2.18 -0.08 0.00 0.01 0.00 0.00 72.50 70.24 2dk6 s THR 18 CO 0.01 0.28 1.08 -1.10 -0.69 0.00 0.00 174.62 174.19 2dk6 s GLN 19 N 1.26 4.62 -0.24 4.92 -0.21 -1.26 -5.03 119.66 123.71 2dk6 s GLN 19 Ca -0.00 1.69 -0.09 0.00 0.02 0.00 0.00 55.36 56.97 2dk6 s GLN 19 Cb -0.16 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 2dk6 s GLN 19 CO -0.08 0.12 0.12 -1.58 -2.12 0.00 0.00 175.29 171.76 2dk6 s TRP 20 N -0.33 3.21 0.51 0.91 0.52 -1.26 -2.94 118.94 119.56 2dk6 s TRP 20 Ca 0.48 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.64 2dk6 s TRP 20 Cb -0.29 -2.26 0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2dk6 s TRP 20 CO 0.35 -0.11 0.35 0.20 0.02 0.00 0.00 176.95 177.77 2dk6 s GLY 21 N 1.30 2.37 0.01 0.98 0.00 0.36 -4.89 107.32 107.44 2dk6 s GLY 21 Ca 0.06 -1.41 0.08 0.00 0.00 0.00 0.00 44.72 43.46 2dk6 s GLY 21 CO 0.05 -1.92 -0.25 -0.98 0.00 0.00 0.00 173.10 170.01 2dk6 s TRP 22 N -2.72 2.21 0.11 1.90 0.52 -1.25 -0.84 118.94 118.86 2dk6 s TRP 22 Ca 0.35 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 56.10 2dk6 s TRP 22 Cb -0.01 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 2dk6 s TRP 22 CO 0.21 0.03 -0.11 -0.06 0.02 0.00 0.00 176.95 177.04 2dk6 s PHE 23 N -0.67 1.15 -0.03 -1.98 0.40 0.28 -2.35 117.98 114.78 2dk6 s PHE 23 Ca 0.10 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2dk6 s PHE 23 Cb -0.10 -0.62 0.03 0.00 0.51 0.00 0.00 43.02 42.84 2dk6 s PHE 23 CO 0.00 0.04 -0.00 1.52 0.70 0.00 0.00 175.22 177.48 2dk6 s TYR 24 N -2.55 0.38 0.65 0.36 -0.85 -0.74 -1.25 117.35 113.34 2dk6 s TYR 24 Ca 0.08 -0.03 -0.18 0.00 -0.52 0.00 0.00 57.07 56.43 2dk6 s TYR 24 Cb -0.02 -0.46 -0.01 0.00 0.38 0.00 0.00 41.96 41.85 2dk6 s TYR 24 CO 0.01 -0.14 1.25 -1.17 -1.52 0.00 0.00 175.55 173.97 2dk6 s LEU 25 N 1.06 3.55 0.44 -3.49 2.96 0.19 -1.40 118.68 121.99 2dk6 s LEU 25 Ca -0.09 2.49 0.07 0.00 -0.22 0.00 0.00 54.13 56.38 2dk6 s LEU 25 Cb -0.14 -4.61 -0.02 0.00 0.50 0.00 0.00 46.19 41.93 2dk6 s LEU 25 CO -0.02 -1.93 0.33 0.00 -1.32 0.00 0.00 176.35 173.42 2dk6 s ALA 26 N -1.59 4.00 0.14 5.97 0.00 -0.07 -4.64 121.76 125.59 2dk6 s ALA 26 Ca 0.79 -1.84 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2dk6 s ALA 26 Cb -0.33 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.01 2dk6 s ALA 26 CO 0.39 -0.26 1.68 1.05 0.00 0.00 0.00 175.76 178.63 2dk6 h GLU 27 N 1.08 0.69 -0.13 0.00 4.11 -1.94 -2.56 114.58 115.84 2dk6 h GLU 27 Ca -0.41 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 58.86 2dk6 h GLU 27 Cb 1.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2dk6 h GLU 27 CO 0.61 0.64 -0.04 0.00 0.07 0.00 0.00 179.01 180.29 2dk6 n GLY 29 N -1.17 1.14 2.89 0.00 0.00 -0.96 -5.14 105.19 101.94 2dk6 n GLY 29 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.03 0.78 -0.41 1.61 1.02 -1.26 -4.87 119.74 116.58 2dk6 s LYS 30 Ca 0.00 -0.09 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 2dk6 s LYS 30 Cb 0.00 -0.80 0.02 0.00 -0.52 0.00 0.00 37.83 36.53 2dk6 s LYS 30 CO 0.00 -0.08 1.06 -1.58 -0.92 0.00 0.00 175.35 173.83 2dk6 s TRP 31 N 0.90 2.97 -0.12 3.18 0.52 -1.26 -0.89 118.94 124.24 2dk6 s TRP 31 Ca -0.11 0.84 -0.04 0.00 0.02 0.00 0.00 56.10 56.80 2dk6 s TRP 31 Cb -0.14 -4.02 -0.04 0.00 -1.15 0.00 0.00 33.47 28.12 2dk6 s TRP 31 CO 0.00 -1.02 0.04 -1.01 0.02 0.00 0.00 176.95 174.98 2dk6 s HIS 32 N 3.97 3.26 0.61 -1.98 3.76 -0.49 -4.83 115.29 119.59 2dk6 s HIS 32 Ca 0.44 0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 55.36 2dk6 s HIS 32 Cb -0.10 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 2dk6 s HIS 32 CO 0.24 0.41 1.22 1.41 -0.85 0.00 0.00 174.74 177.17 2dk6 s MET 33 N -0.52 2.84 1.10 1.40 1.75 -1.26 -1.80 119.30 122.80 2dk6 s MET 33 Ca 0.10 1.86 -0.13 0.00 -1.25 0.00 0.00 55.69 56.26 2dk6 s MET 33 Cb -0.12 -1.91 0.24 0.00 2.84 0.00 0.00 34.83 35.89 2dk6 s MET 33 CO 0.02 -1.32 1.06 -0.06 -0.65 0.00 0.00 175.02 174.07 2dk6 s PHE 34 N -1.60 1.63 0.08 4.11 0.08 -0.99 -4.88 117.98 116.40 2dk6 s PHE 34 Ca 0.78 0.99 -0.18 0.00 0.12 0.00 0.00 56.93 58.64 2dk6 s PHE 34 Cb -0.31 -3.20 0.04 0.00 -0.57 0.00 0.00 43.02 38.97 2dk6 s PHE 34 CO 0.35 -3.44 0.41 -0.65 -0.10 0.00 0.00 175.22 171.79 2dk6 s GLN 35 N -4.81 0.98 0.72 0.44 -1.52 -1.16 -4.59 119.66 109.73 2dk6 s GLN 35 Ca 0.67 -0.49 -0.12 0.00 -1.95 0.00 0.00 55.36 53.47 2dk6 s GLN 35 Cb -0.20 0.44 0.03 0.00 -0.22 0.00 0.00 33.01 33.06 2dk6 s GLN 35 CO 0.60 -0.36 1.10 -1.25 -0.25 0.00 0.00 175.29 175.13 2dk6 s PRO 36 N -2.99 2.49 -0.74 2.91 0.04 -1.21 -2.43 135.00 133.07 2dk6 s PRO 36 Ca -0.02 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 2dk6 s PRO 36 Cb 0.00 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 2dk6 s PRO 36 CO -0.06 -1.48 1.93 -0.40 0.04 0.00 0.00 177.00 177.04 2dk6 n ASP 37 N -3.04 0.20 -4.28 6.66 5.75 0.66 -3.51 116.55 119.00 2dk6 n ASP 37 Ca 0.10 -1.68 -0.16 0.00 -0.01 0.00 0.00 54.79 53.04 2dk6 n ASP 37 Cb 0.53 -1.26 -0.10 0.00 -1.03 0.00 0.00 41.12 39.26 2dk6 n ASP 37 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2dk6 s THR 38 N 9.91 1.38 0.16 2.12 -4.23 -1.25 -4.80 115.64 118.93 2dk6 s THR 38 Ca 0.73 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 59.01 2dk6 s THR 38 Cb -0.19 -1.83 0.07 0.00 1.34 0.00 0.00 72.50 71.89 2dk6 s THR 38 CO 0.18 -0.62 1.62 0.78 -0.54 0.00 0.00 174.62 176.04 2dk6 h ASN 39 N 2.90 -0.84 0.00 3.99 2.35 -1.97 2.10 115.58 124.11 2dk6 h ASN 39 Ca -0.38 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2dk6 h ASN 39 Cb 1.20 0.41 0.00 0.00 0.05 0.00 0.00 38.32 39.98 2dk6 h ASN 39 CO 0.60 -0.28 0.00 -1.20 -1.65 0.00 0.00 177.43 174.90 2dk6 n SER 40 N -5.39 0.00 -3.31 5.81 7.64 -1.26 -3.78 113.62 113.33 2dk6 n SER 40 Ca 0.01 0.97 -0.34 0.00 1.01 0.00 0.00 58.87 60.52 2dk6 n SER 40 Cb 0.31 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.12 4.41 -1.53 1.43 6.02 -1.16 -5.01 117.38 119.42 2dk6 n GLN 41 Ca 0.00 -4.76 -0.27 0.00 -0.01 0.00 0.00 57.00 51.96 2dk6 n GLN 41 Cb 0.00 -2.36 -0.12 0.00 1.02 0.00 0.00 30.24 28.78 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 13.05 -1.31 -4.82 0.00 7.64 -1.23 -4.80 113.62 122.15 2dk6 n SER 43 Ca 0.54 -1.40 -0.34 0.00 1.01 0.00 0.00 58.87 58.67 2dk6 n SER 43 Cb 0.30 2.06 -0.06 0.00 -1.01 0.00 0.00 64.21 65.50 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dk6 s VAL 44 N -2.03 4.52 0.50 0.44 -7.23 -1.02 0.24 120.40 115.82 2dk6 s VAL 44 Ca 0.28 1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 61.56 2dk6 s VAL 44 Cb -0.01 -3.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.12 2dk6 s VAL 44 CO 0.01 -0.07 0.98 -0.44 -0.31 0.00 0.00 175.10 175.26 2dk6 s SER 45 N -2.01 6.66 0.45 4.85 0.01 -1.07 -3.00 113.70 119.59 2dk6 s SER 45 Ca 0.53 1.57 0.31 0.00 1.31 0.00 0.00 55.95 59.68 2dk6 s SER 45 Cb -0.13 -2.51 1.44 0.00 0.21 0.00 0.00 66.02 65.04 2dk6 s SER 45 CO 0.18 -0.56 1.63 0.77 0.41 0.00 0.00 173.24 175.67 2dk6 h SER 46 N 1.03 0.22 0.46 2.44 4.64 -1.87 -0.11 113.55 120.36 2dk6 h SER 46 Ca -0.47 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2dk6 h SER 46 Cb 1.18 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 2dk6 h SER 46 CO 0.61 -0.15 -0.34 -0.08 -0.87 0.00 0.00 176.83 176.00 2dk6 h GLU 47 N 0.09 -0.74 0.00 4.77 4.81 -1.91 -1.49 114.58 120.11 2dk6 h GLU 47 Ca 0.81 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 60.09 2dk6 h GLU 47 Cb 2.62 0.17 0.00 0.00 0.63 0.00 0.00 28.75 32.17 2dk6 h GLU 47 CO -0.37 -0.49 0.00 -3.47 -0.73 0.00 0.00 179.01 173.95 2dk6 n ASP 48 N -4.48 0.00 -0.38 1.04 2.03 -0.06 -0.71 116.55 113.98 2dk6 n ASP 48 Ca -0.09 0.94 -0.05 0.00 0.52 0.00 0.00 54.79 56.11 2dk6 n ASP 48 Cb 0.33 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.26 2dk6 n ASP 48 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2dk6 n ILE 49 N -2.59 -0.57 -0.03 5.18 5.41 -1.17 -0.69 119.36 124.90 2dk6 n ILE 49 Ca 0.00 2.27 -0.13 0.00 1.00 0.00 0.00 62.75 65.89 2dk6 n ILE 49 Cb 0.00 -2.90 -0.07 0.00 -0.71 0.00 0.00 39.64 35.96 2dk6 n ILE 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2dk6 h GLU 50 N 0.00 -0.48 -0.98 0.38 4.81 -0.53 0.34 114.58 118.12 2dk6 h GLU 50 Ca 0.25 0.03 0.37 0.00 -0.13 0.00 0.00 59.36 59.88 2dk6 h GLU 50 Cb 0.48 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 29.84 2dk6 h GLU 50 CO -0.92 -0.32 0.58 1.17 -0.73 0.00 0.00 179.01 178.79 2dk6 n LYS 51 N -5.43 -0.04 -0.01 1.92 4.81 0.13 0.14 118.16 119.68 2dk6 n LYS 51 Ca -0.04 1.09 -0.17 0.00 -0.87 0.00 0.00 58.31 58.32 2dk6 n LYS 51 Cb 0.37 -2.05 -0.13 0.00 0.02 0.00 0.00 35.03 33.24 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 0.30 -0.96 3.14 0.02 -0.77 -3.30 113.55 111.99 2dk6 h SER 52 Ca 0.72 -0.88 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2dk6 h SER 52 Cb 2.09 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 64.47 2dk6 h SER 52 CO -0.52 1.15 0.60 0.15 -1.14 0.00 0.00 176.83 177.08 2dk6 h PHE 53 N -0.51 1.11 0.04 3.45 3.57 0.21 0.27 116.94 125.09 2dk6 h PHE 53 Ca -0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.49 2dk6 h PHE 53 Cb 1.26 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 2dk6 h PHE 53 CO 0.20 0.54 -0.45 0.87 -2.23 0.00 0.00 178.31 177.23 2dk6 h LYS 54 N 1.06 -0.61 -0.33 1.11 1.57 -0.74 0.91 116.57 119.54 2dk6 h LYS 54 Ca 0.43 0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 59.10 2dk6 h LYS 54 Cb 0.25 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2dk6 h LYS 54 CO -0.20 -0.41 -0.41 0.00 -0.57 0.00 0.00 179.45 177.86 2dk6 h THR 55 N -0.63 1.28 -3.00 -0.16 1.03 -1.56 -3.39 112.91 106.48 2dk6 h THR 55 Ca 0.03 -1.59 -0.60 0.00 -0.01 0.00 0.00 66.41 64.24 2dk6 h THR 55 Cb 0.69 1.46 -0.40 0.00 -1.07 0.00 0.00 68.15 68.83 2dk6 h THR 55 CO -0.31 0.52 -0.75 0.21 -0.01 0.00 0.00 175.52 175.19 2dk6 s ASN 56 N -6.86 3.68 0.04 0.00 2.47 0.92 -4.96 114.94 110.24 2dk6 s ASN 56 Ca -0.10 -2.39 0.16 0.00 0.42 0.00 0.00 52.86 50.94 2dk6 s ASN 56 Cb 0.11 -0.96 0.67 0.00 -1.45 0.00 0.00 41.25 39.63 2dk6 s ASN 56 CO 0.87 -0.30 1.50 -0.81 -3.72 0.00 0.00 177.10 174.63 2dk6 n PRO 57 N 3.84 0.03 -2.57 0.43 -0.04 0.28 -2.92 135.00 134.06 2dk6 n PRO 57 Ca 0.07 0.28 -0.08 0.00 -0.04 0.00 0.00 63.50 63.73 2dk6 n PRO 57 Cb 0.36 -1.56 0.04 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.63 6.70 3.10 0.00 0.00 -1.15 -4.23 105.19 108.98 2dk6 n GLY 59 Ca 0.19 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 0.73 0.02 -0.25 1.61 1.04 -1.26 -0.17 113.70 115.42 2dk6 s SER 60 Ca 0.00 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2dk6 s SER 60 Cb 0.00 0.21 0.06 0.00 0.10 0.00 0.00 66.02 66.39 2dk6 s SER 60 CO 0.00 -0.34 -0.09 -0.51 0.98 0.00 0.00 173.24 173.28 2dk6 s ILE 61 N -1.28 1.91 -0.39 -1.02 2.07 -0.86 -4.96 121.20 116.68 2dk6 s ILE 61 Ca -0.14 -1.45 -0.18 0.00 -1.41 0.00 0.00 60.65 57.48 2dk6 s ILE 61 Cb -0.07 -2.07 0.01 0.00 0.13 0.00 0.00 42.46 40.45 2dk6 s ILE 61 CO 0.01 -0.04 0.47 -0.94 -1.91 0.00 0.00 174.94 172.54 2dk6 s SER 62 N 1.22 6.25 0.34 4.50 1.04 -1.26 -2.88 113.70 122.91 2dk6 s SER 62 Ca -0.07 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.09 2dk6 s SER 62 Cb -0.19 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2dk6 s SER 62 CO -0.06 -0.53 0.27 2.22 0.98 0.00 0.00 173.24 176.13 2dk6 n PHE 63 N 5.69 -0.71 -4.18 5.02 -1.74 -0.94 -5.02 117.46 115.57 2dk6 n PHE 63 Ca -0.06 -2.79 -0.11 0.00 -0.56 0.00 0.00 57.45 53.93 2dk6 n PHE 63 Cb 0.48 0.27 -0.10 0.00 1.52 0.00 0.00 39.48 41.65 2dk6 n PHE 63 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 2dk6 s THR 64 N -3.33 0.11 0.00 1.97 -4.23 -1.26 -1.44 115.64 107.45 2dk6 s THR 64 Ca 0.38 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2dk6 s THR 64 Cb 0.02 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2dk6 s THR 64 CO 0.27 -0.27 0.00 0.35 -0.54 0.00 0.00 174.62 174.43 2dk6 n THR 65 N -0.18 0.00 -3.19 3.99 -2.24 -1.25 -4.99 114.28 106.41 2dk6 n THR 65 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2dk6 n THR 65 Cb 0.65 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 2dk6 n THR 65 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dk6 s SER 66 N -4.77 -1.07 0.00 3.42 1.04 -1.26 -4.92 113.70 106.15 2dk6 s SER 66 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dk6 s SER 66 Cb 0.00 1.92 0.00 0.00 0.10 0.00 0.00 66.02 68.04 2dk6 s SER 66 CO 0.00 -0.28 0.00 2.29 0.98 0.00 0.00 173.24 176.23 2dk6 n LYS 67 N 5.41 -2.40 -4.24 4.02 2.85 -1.26 -4.80 118.16 117.74 2dk6 n LYS 67 Ca -0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.10 2dk6 n LYS 67 Cb 0.51 -3.99 -0.09 0.00 -0.65 0.00 0.00 35.03 30.81 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 -1.62 1.42 0.03 5.58 0.08 -1.26 -5.06 117.98 117.14 2dk6 s PHE 68 Ca 0.00 -1.48 0.02 0.00 0.12 0.00 0.00 56.93 55.59 2dk6 s PHE 68 Cb 0.00 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 2dk6 s PHE 68 CO 0.00 -0.71 -0.07 -1.12 -0.10 0.00 0.00 175.22 173.23 2dk6 s SER 69 N -3.26 0.74 -0.02 1.36 0.01 -1.26 -3.94 113.70 107.34 2dk6 s SER 69 Ca 0.39 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 2dk6 s SER 69 Cb 0.05 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.30 2dk6 s SER 69 CO 0.18 -0.13 0.04 -0.31 0.41 0.00 0.00 173.24 173.44 2dk6 s TYR 70 N -0.99 -0.03 -0.12 2.43 2.02 -0.52 -2.83 117.35 117.31 2dk6 s TYR 70 Ca -0.07 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 2dk6 s TYR 70 Cb -0.07 -0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.44 2dk6 s TYR 70 CO 0.00 -0.05 -0.16 0.21 -1.57 0.00 0.00 175.55 173.98 2dk6 s LYS 71 N 0.37 2.35 -0.33 -0.62 2.20 -0.13 -2.22 119.74 121.36 2dk6 s LYS 71 Ca -0.03 -0.61 -0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2dk6 s LYS 71 Cb -0.04 -1.98 0.08 0.00 -1.51 0.00 0.00 37.83 34.37 2dk6 s LYS 71 CO -0.01 -0.06 0.05 0.42 -0.36 0.00 0.00 175.35 175.39 2dk6 s ILE 72 N 0.97 2.83 -0.35 5.43 1.01 -1.14 0.12 121.20 130.08 2dk6 s ILE 72 Ca -0.06 -1.80 -0.17 0.00 0.00 0.00 0.00 60.65 58.62 2dk6 s ILE 72 Cb -0.15 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 2dk6 s ILE 72 CO -0.02 -0.36 0.46 -1.81 0.00 0.00 0.00 174.94 173.21 2dk6 s ASP 73 N 1.32 6.26 -0.02 3.58 1.01 -1.08 -2.04 116.67 125.72 2dk6 s ASP 73 Ca 0.01 -0.11 -0.25 0.00 0.71 0.00 0.00 52.55 52.91 2dk6 s ASP 73 Cb -0.20 -2.24 -0.18 0.00 1.01 0.00 0.00 42.92 41.30 2dk6 s ASP 73 CO -0.04 -0.43 1.19 -0.26 0.21 0.00 0.00 175.17 175.85 2dk6 h PHE 74 N 8.46 -0.13 -1.01 4.23 0.04 -0.84 -1.54 116.94 126.14 2dk6 h PHE 74 Ca -0.29 -0.00 0.29 0.00 2.80 0.00 0.00 57.97 60.77 2dk6 h PHE 74 Cb 1.13 0.04 -0.13 0.00 2.20 0.00 0.00 35.95 39.19 2dk6 h PHE 74 CO 0.71 0.29 0.59 0.00 -0.60 0.00 0.00 178.31 179.30 2dk6 h ALA 75 N 0.19 1.92 0.00 2.45 0.00 -1.67 1.05 119.26 123.19 2dk6 h ALA 75 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dk6 h ALA 75 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dk6 h ALA 75 CO 0.02 -0.46 -0.26 0.93 0.00 0.00 0.00 179.25 179.48 2dk6 h GLU 76 N 0.44 0.00 -5.38 0.00 5.08 -1.87 -3.48 114.58 109.36 2dk6 h GLU 76 Ca 0.69 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.73 2dk6 h GLU 76 Cb 1.49 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.89 2dk6 h GLU 76 CO -0.53 0.00 -0.68 -1.33 -1.00 0.00 0.00 179.01 175.47 2dk6 n MET 77 N -2.84 -6.46 -3.51 2.33 2.81 0.36 -4.98 117.12 104.83 2dk6 n MET 77 Ca 0.03 0.77 -0.14 0.00 -1.81 0.00 0.00 57.70 56.55 2dk6 n MET 77 Cb 0.52 -5.60 -0.05 0.00 -0.71 0.00 0.00 33.22 27.38 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 -5.54 0.99 -0.30 0.03 -2.85 -1.05 -2.04 119.74 108.98 2dk6 s LYS 78 Ca 0.16 0.04 -0.16 0.00 -1.00 0.00 0.00 55.97 55.01 2dk6 s LYS 78 Cb -0.07 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.14 2dk6 s LYS 78 CO 0.67 -0.35 0.42 -1.14 0.10 0.00 0.00 175.35 175.05 2dk6 s GLN 79 N -1.87 3.83 -0.44 1.78 0.74 0.61 -2.62 119.66 121.69 2dk6 s GLN 79 Ca -0.05 -0.07 -0.19 0.00 0.05 0.00 0.00 55.36 55.10 2dk6 s GLN 79 Cb -0.00 -3.72 0.03 0.00 1.10 0.00 0.00 33.01 30.41 2dk6 s GLN 79 CO 0.02 -0.43 0.55 1.41 -0.55 0.00 0.00 175.29 176.29 2dk6 s MET 80 N 2.17 3.18 0.34 1.67 -2.45 0.33 -2.66 119.30 121.88 2dk6 s MET 80 Ca 0.16 -0.58 -0.25 0.00 -1.25 0.00 0.00 55.69 53.76 2dk6 s MET 80 Cb -0.16 -3.97 -0.10 0.00 1.25 0.00 0.00 34.83 31.85 2dk6 s MET 80 CO 0.11 -0.96 0.96 -0.80 1.05 0.00 0.00 175.02 175.38 2dk6 s ASN 81 N 1.96 7.23 -0.08 1.11 -0.87 0.00 -0.96 114.94 123.34 2dk6 s ASN 81 Ca 0.17 1.85 0.02 0.00 -1.57 0.00 0.00 52.86 53.33 2dk6 s ASN 81 Cb -0.16 -2.58 -0.06 0.00 -0.02 0.00 0.00 41.25 38.43 2dk6 s ASN 81 CO 0.16 -0.14 -0.05 0.18 -2.57 0.00 0.00 177.10 174.68 2dk6 n LEU 82 N 0.37 2.09 -0.10 0.60 7.99 -1.13 -3.30 117.00 123.52 2dk6 n LEU 82 Ca 0.03 -0.03 -0.09 0.00 -0.01 0.00 0.00 56.01 55.90 2dk6 n LEU 82 Cb 0.50 -0.16 -0.02 0.00 -0.11 0.00 0.00 43.42 43.64 2dk6 n LEU 82 CO 0.44 0.50 0.93 0.00 -1.51 0.00 0.00 177.39 177.74 2dk6 h THR 83 N 0.00 1.15 0.00 -5.08 1.03 -1.91 -3.32 112.91 104.78 2dk6 h THR 83 Ca -0.19 -0.43 -0.13 0.00 -0.01 0.00 0.00 66.41 65.66 2dk6 h THR 83 Cb 1.33 0.86 -0.02 0.00 -1.07 0.00 0.00 68.15 69.25 2dk6 h THR 83 CO -0.02 0.16 -1.70 0.35 -0.01 0.00 0.00 175.52 174.30 2dk6 n THR 84 N -4.77 0.47 -1.41 0.00 -2.24 -1.26 -5.02 114.28 100.04 2dk6 n THR 84 Ca -0.02 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2dk6 n THR 84 Cb 0.10 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 2.08 0.75 3.98 3.38 0.00 -1.21 -5.07 105.19 109.10 2dk6 n GLY 85 Ca -0.12 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.05 1.87 -0.01 1.61 -0.14 -1.25 -4.81 119.74 113.96 2dk6 s LYS 86 Ca 0.00 -0.94 -0.06 0.00 -1.36 0.00 0.00 55.97 53.61 2dk6 s LYS 86 Cb 0.00 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 2dk6 s LYS 86 CO 0.00 -1.30 0.12 1.14 -0.76 0.00 0.00 175.35 174.55 2dk6 s GLN 87 N -5.09 0.36 -0.26 1.68 -2.07 -1.26 -0.82 119.66 112.20 2dk6 s GLN 87 Ca 0.64 -0.22 -0.10 0.00 -1.82 0.00 0.00 55.36 53.86 2dk6 s GLN 87 Cb -0.07 0.15 0.11 0.00 -1.09 0.00 0.00 33.01 32.11 2dk6 s GLN 87 CO 0.43 -0.08 0.57 -0.98 -1.32 0.00 0.00 175.29 173.92 2dk6 s ARG 88 N -0.90 0.51 0.78 9.60 1.70 -1.09 -4.97 118.95 124.58 2dk6 s ARG 88 Ca -0.10 1.27 -0.15 0.00 -0.47 0.00 0.00 55.73 56.28 2dk6 s ARG 88 Cb -0.06 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 2dk6 s ARG 88 CO 0.01 -0.21 0.70 1.28 -1.08 0.00 0.00 175.30 176.00 2dk6 n LEU 89 N 5.21 1.73 -4.27 -1.89 4.77 -1.26 -0.28 117.00 121.00 2dk6 n LEU 89 Ca -0.13 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.24 2dk6 n LEU 89 Cb 0.51 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 2dk6 n LEU 89 CO -0.02 -2.77 -0.44 0.27 -1.33 0.00 0.00 177.39 173.10 2dk6 s ILE 90 N -2.02 1.39 -0.13 -0.08 -4.36 -0.87 -0.63 121.20 114.50 2dk6 s ILE 90 Ca 0.67 -1.95 -0.12 0.00 -0.26 0.00 0.00 60.65 58.99 2dk6 s ILE 90 Cb -0.31 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.67 2dk6 s ILE 90 CO 0.57 -0.56 0.35 -1.59 0.24 0.00 0.00 174.94 173.95 2dk6 s LYS 91 N -3.25 0.40 -0.39 0.37 -2.85 -0.38 -4.73 119.74 108.91 2dk6 s LYS 91 Ca 0.15 0.51 -0.15 0.00 -1.00 0.00 0.00 55.97 55.48 2dk6 s LYS 91 Cb -0.02 0.17 0.01 0.00 -2.06 0.00 0.00 37.83 35.93 2dk6 s LYS 91 CO 0.03 -0.06 0.30 0.50 0.10 0.00 0.00 175.35 176.22 2dk6 s ARG 92 N 0.31 3.16 0.08 1.78 3.52 -1.26 -0.56 118.95 125.99 2dk6 s ARG 92 Ca -0.01 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 2dk6 s ARG 92 Cb -0.03 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 2dk6 s ARG 92 CO -0.01 -0.66 -0.03 0.00 -0.81 0.00 0.00 175.30 173.79 2dk6 s ALA 93 N 1.76 0.73 1.02 6.12 0.00 -0.02 -4.94 121.76 126.42 2dk6 s ALA 93 Ca 0.06 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 2dk6 s ALA 93 Cb -0.18 0.31 0.20 0.00 0.00 0.00 0.00 23.12 23.45 2dk6 s ALA 93 CO 0.11 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 175.37 2dk6 s PRO 94 N -3.91 0.27 -0.75 0.00 0.04 -1.26 0.13 135.00 129.52 2dk6 s PRO 94 Ca 0.11 0.47 -0.27 0.00 0.04 0.00 0.00 61.00 61.35 2dk6 s PRO 94 Cb 0.07 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.91 2dk6 s PRO 94 CO -0.07 -2.83 1.40 -0.06 0.04 0.00 0.00 177.00 175.48 2dk6 s PHE 95 N -2.97 2.19 -0.60 0.56 0.40 -1.15 -4.54 117.98 111.88 2dk6 s PHE 95 Ca 0.66 0.02 -0.27 0.00 -0.60 0.00 0.00 56.93 56.74 2dk6 s PHE 95 Cb -0.18 -4.54 0.03 0.00 0.51 0.00 0.00 43.02 38.84 2dk6 s PHE 95 CO 0.58 -2.10 1.15 -1.12 0.70 0.00 0.00 175.22 174.43 2dk6 s SER 96 N 4.62 6.38 0.18 1.36 0.01 -1.26 -4.98 113.70 120.01 2dk6 s SER 96 Ca 0.42 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.58 2dk6 s SER 96 Cb -0.08 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2dk6 s SER 96 CO 0.13 -1.48 0.10 -0.44 0.41 0.00 0.00 173.24 171.96 2dk6 s SER 97 N 3.07 0.31 0.00 2.44 0.01 -1.26 -5.17 113.70 113.10 2dk6 s SER 97 Ca 0.39 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2dk6 s SER 97 Cb -0.09 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2dk6 s SER 97 CO 0.22 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2dk6 n GLY 98 N -0.22 -0.54 3.55 3.44 0.00 -1.26 -4.92 105.19 105.25 2dk6 n GLY 98 Ca -0.01 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 0.13 2.62 -0.28 1.61 0.04 -1.26 -4.96 135.00 132.90 2dk6 s PRO 99 Ca 0.00 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 2dk6 s PRO 99 Cb 0.00 -4.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.07 2dk6 s PRO 99 CO 0.00 -2.77 0.18 -1.12 0.04 0.00 0.00 177.00 173.33 2dk6 s SER 100 N 8.12 5.91 -0.92 6.66 0.01 -1.26 -4.95 113.70 127.27 2dk6 s SER 100 Ca 0.67 -0.06 -0.24 0.00 1.31 0.00 0.00 55.95 57.64 2dk6 s SER 100 Cb -0.12 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2dk6 s SER 100 CO 0.20 -0.06 1.78 -0.55 0.41 0.00 0.00 173.24 175.02 2dk6 s SER 101 N 1.74 5.58 0.00 2.44 0.15 -1.26 -5.26 113.70 117.09 2dk6 s SER 101 Ca 0.07 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2dk6 s SER 101 Cb -0.16 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2dk6 s SER 101 CO 0.10 -2.33 0.49 0.61 1.20 0.00 0.00 173.24 173.31