#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 0.22 -2.48 1.61 0.02 -2.08 -3.46 113.55 107.39 2dk6 h SER 2 Ca 0.00 -0.89 -0.54 0.00 -0.84 0.00 0.00 61.79 59.53 2dk6 h SER 2 Cb 0.00 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2dk6 h SER 2 CO 0.00 1.09 -0.52 -0.94 -1.14 0.00 0.00 176.83 175.31 2dk6 s SER 3 N -6.46 5.73 -0.26 3.07 1.04 -1.26 -4.86 113.70 110.71 2dk6 s SER 3 Ca -0.16 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 2dk6 s SER 3 Cb -0.00 -1.55 0.02 0.00 0.10 0.00 0.00 66.02 64.59 2dk6 s SER 3 CO 0.75 0.02 0.10 0.61 0.98 0.00 0.00 173.24 175.70 2dk6 n GLY 4 N -0.73 -4.72 3.63 7.32 0.00 -1.26 -4.78 105.19 104.65 2dk6 n GLY 4 Ca -0.08 1.03 -0.58 0.00 0.00 0.00 0.00 46.02 46.39 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 1.13 1.34 -0.13 1.61 2.88 -1.26 -4.85 113.62 114.34 2dk6 n SER 5 Ca -0.18 1.13 -0.10 0.00 -1.33 0.00 0.00 58.87 58.40 2dk6 n SER 5 Cb 0.27 -1.05 -0.02 0.00 -0.75 0.00 0.00 64.21 62.67 2dk6 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dk6 h SER 6 N 4.91 0.57 0.00 -3.46 0.87 -1.89 -3.47 113.55 111.09 2dk6 h SER 6 Ca -0.48 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 2dk6 h SER 6 Cb 1.36 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2dk6 h SER 6 CO 0.83 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 178.40 2dk6 n GLY 7 N -0.54 2.23 3.81 5.77 0.00 -1.26 -4.82 105.19 110.37 2dk6 n GLY 7 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dk6 s ASN 8 N -4.00 -0.06 -1.27 1.61 3.84 -1.26 -5.07 114.94 108.72 2dk6 s ASN 8 Ca 0.00 -0.47 -0.15 0.00 0.21 0.00 0.00 52.86 52.45 2dk6 s ASN 8 Cb 0.00 0.41 0.12 0.00 -0.55 0.00 0.00 41.25 41.23 2dk6 s ASN 8 CO 0.00 -0.80 1.66 -0.62 -2.79 0.00 0.00 177.10 174.55 2dk6 n GLU 9 N -0.62 3.28 -3.84 0.43 1.02 -1.26 -4.61 120.64 115.05 2dk6 n GLU 9 Ca -0.04 -3.50 -0.25 0.00 -0.02 0.00 0.00 57.16 53.35 2dk6 n GLU 9 Cb 0.60 -3.23 -0.05 0.00 -0.02 0.00 0.00 31.44 28.74 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dk6 n VAL 10 N 5.24 -1.02 -0.61 2.62 0.31 -1.26 -4.83 118.33 118.77 2dk6 n VAL 10 Ca 0.43 -0.37 -0.27 0.00 -0.01 0.00 0.00 64.34 64.12 2dk6 n VAL 10 Cb 0.43 -0.95 0.16 0.00 -0.91 0.00 0.00 33.84 32.57 2dk6 n VAL 10 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dk6 n ASP 11 N -1.75 -2.74 -4.32 4.52 5.68 -1.26 -3.17 116.55 113.51 2dk6 n ASP 11 Ca -0.19 -0.26 -0.37 0.00 -0.50 0.00 0.00 54.79 53.47 2dk6 n ASP 11 Cb 0.47 -0.85 -0.06 0.00 -1.14 0.00 0.00 41.12 39.54 2dk6 n ASP 11 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2dk6 n ASP 12 N -1.41 -1.80 -4.62 -1.12 9.92 -1.26 -4.88 116.55 111.38 2dk6 n ASP 12 Ca 0.03 -1.13 -0.30 0.00 -0.53 0.00 0.00 54.79 52.86 2dk6 n ASP 12 Cb 0.52 -2.21 0.19 0.00 -0.64 0.00 0.00 41.12 38.97 2dk6 n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dk6 s MET 13 N -7.07 0.49 -0.25 -1.24 0.23 -1.19 -5.05 119.30 105.22 2dk6 s MET 13 Ca 0.58 1.25 -0.10 0.00 -1.03 0.00 0.00 55.69 56.39 2dk6 s MET 13 Cb -0.33 -1.69 0.10 0.00 -1.53 0.00 0.00 34.83 31.39 2dk6 s MET 13 CO 0.97 -2.90 0.54 0.16 -2.03 0.00 0.00 175.02 171.77 2dk6 s ASP 14 N -2.72 -0.72 -0.14 -1.18 -4.77 -1.26 -5.12 116.67 100.75 2dk6 s ASP 14 Ca 0.67 1.28 -0.29 0.00 -3.30 0.00 0.00 52.55 50.91 2dk6 s ASP 14 Cb -0.23 1.67 -0.05 0.00 -1.09 0.00 0.00 42.92 43.22 2dk6 s ASP 14 CO 0.60 -0.22 1.98 0.28 0.70 0.00 0.00 175.17 178.51 2dk6 s THR 15 N 2.47 3.19 -0.30 2.11 -1.32 -1.26 -4.91 115.64 115.62 2dk6 s THR 15 Ca -0.05 0.22 -0.14 0.00 -1.21 0.00 0.00 61.69 60.51 2dk6 s THR 15 Cb -0.11 -3.20 0.17 0.00 -1.51 0.00 0.00 72.50 67.85 2dk6 s THR 15 CO -0.16 -0.09 1.00 -0.55 -2.21 0.00 0.00 174.62 172.60 2dk6 s SER 16 N 6.05 -0.57 -0.84 8.08 0.15 -1.26 -4.97 113.70 120.34 2dk6 s SER 16 Ca 0.89 0.62 -0.05 0.00 0.70 0.00 0.00 55.95 58.11 2dk6 s SER 16 Cb -0.34 1.59 0.01 0.00 -1.71 0.00 0.00 66.02 65.57 2dk6 s SER 16 CO 0.36 -0.11 0.73 -0.67 1.20 0.00 0.00 173.24 174.75 2dk6 n ASP 17 N 5.12 -4.63 -4.52 5.45 -0.08 -1.26 -4.83 116.55 111.80 2dk6 n ASP 17 Ca -0.08 -0.34 -0.39 0.00 -1.51 0.00 0.00 54.79 52.48 2dk6 n ASP 17 Cb 0.53 -3.31 -0.10 0.00 2.34 0.00 0.00 41.12 40.57 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 -4.02 -0.03 -2.43 5.18 -1.04 -1.26 -4.88 114.28 105.80 2dk6 n THR 18 Ca -0.00 -0.31 -0.36 0.00 -2.04 0.00 0.00 64.05 61.34 2dk6 n THR 18 Cb 0.54 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 2dk6 n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dk6 s GLN 19 N 8.72 3.93 -0.20 -2.82 -2.07 -1.26 -4.98 119.66 120.98 2dk6 s GLN 19 Ca 1.21 1.58 -0.06 0.00 -1.82 0.00 0.00 55.36 56.28 2dk6 s GLN 19 Cb -0.84 -2.39 -0.03 0.00 -1.09 0.00 0.00 33.01 28.66 2dk6 s GLN 19 CO 0.40 -0.36 0.02 -1.58 -1.32 0.00 0.00 175.29 172.44 2dk6 s TRP 20 N -1.68 3.08 0.40 9.60 0.52 -1.26 -2.26 118.94 127.35 2dk6 s TRP 20 Ca 0.62 -0.31 0.08 0.00 0.02 0.00 0.00 56.10 56.50 2dk6 s TRP 20 Cb -0.23 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 2dk6 s TRP 20 CO 0.29 -0.14 0.28 0.20 0.02 0.00 0.00 176.95 177.60 2dk6 s GLY 21 N 0.84 2.17 -0.08 0.98 0.00 0.12 -4.88 107.32 106.46 2dk6 s GLY 21 Ca 0.01 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.83 2dk6 s GLY 21 CO 0.02 -1.77 -0.23 -0.98 0.00 0.00 0.00 173.10 170.14 2dk6 s TRP 22 N -2.50 2.54 0.01 1.90 0.52 -1.26 -2.30 118.94 117.85 2dk6 s TRP 22 Ca 0.44 -0.83 0.03 0.00 0.02 0.00 0.00 56.10 55.76 2dk6 s TRP 22 Cb -0.01 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 2dk6 s TRP 22 CO 0.25 -0.29 -0.09 -0.06 0.02 0.00 0.00 176.95 176.79 2dk6 s PHE 23 N 0.08 0.83 -0.12 -1.98 0.40 -0.19 -1.32 117.98 115.68 2dk6 s PHE 23 Ca -0.10 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 2dk6 s PHE 23 Cb -0.16 -0.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 2dk6 s PHE 23 CO 0.06 -0.01 -0.19 1.52 0.70 0.00 0.00 175.22 177.29 2dk6 s TYR 24 N -0.55 2.67 0.50 0.36 1.13 -0.96 -0.34 117.35 120.15 2dk6 s TYR 24 Ca 0.00 -0.91 -0.23 0.00 -1.41 0.00 0.00 57.07 54.53 2dk6 s TYR 24 Cb -0.05 -1.77 -0.07 0.00 -1.10 0.00 0.00 41.96 38.96 2dk6 s TYR 24 CO 0.00 -0.35 1.19 -0.11 -2.51 0.00 0.00 175.55 173.77 2dk6 n LEU 25 N 3.57 4.18 -4.72 -3.49 7.94 0.20 -3.00 117.00 121.69 2dk6 n LEU 25 Ca -0.19 0.99 -0.29 0.00 -1.11 0.00 0.00 56.01 55.42 2dk6 n LEU 25 Cb 0.53 -1.48 -0.08 0.00 0.53 0.00 0.00 43.42 42.92 2dk6 n LEU 25 CO 0.29 -1.02 -0.22 0.00 -1.11 0.00 0.00 177.39 175.33 2dk6 s ALA 26 N -1.31 3.69 0.07 1.96 0.00 -1.25 -4.58 121.76 120.35 2dk6 s ALA 26 Ca 0.68 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 2dk6 s ALA 26 Cb -0.47 -0.08 -0.24 0.00 0.00 0.00 0.00 23.12 22.33 2dk6 s ALA 26 CO 0.53 -0.13 1.17 1.05 0.00 0.00 0.00 175.76 178.38 2dk6 h GLU 27 N 1.46 0.67 -0.44 0.00 4.11 -1.95 -3.21 114.58 115.21 2dk6 h GLU 27 Ca -0.43 -0.77 0.09 0.00 0.07 0.00 0.00 59.36 58.32 2dk6 h GLU 27 Cb 1.27 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 2dk6 h GLU 27 CO 0.74 1.33 0.30 0.00 0.07 0.00 0.00 179.01 181.46 2dk6 n GLY 29 N -1.55 3.56 3.77 0.00 0.00 -1.21 -5.10 105.19 104.65 2dk6 n GLY 29 Ca 0.07 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 4.58 0.34 1.61 1.02 -1.26 -4.68 119.74 121.34 2dk6 s LYS 30 Ca 0.00 1.44 -0.18 0.00 0.02 0.00 0.00 55.97 57.25 2dk6 s LYS 30 Cb 0.00 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 2dk6 s LYS 30 CO 0.00 0.25 0.80 -1.58 -0.92 0.00 0.00 175.35 173.90 2dk6 s TRP 31 N -1.49 3.40 -0.08 3.18 0.52 -1.26 -3.74 118.94 119.46 2dk6 s TRP 31 Ca 0.49 1.36 0.00 0.00 0.02 0.00 0.00 56.10 57.98 2dk6 s TRP 31 Cb -0.22 -2.64 0.02 0.00 -1.15 0.00 0.00 33.47 29.48 2dk6 s TRP 31 CO 0.28 0.07 -0.06 -1.01 0.02 0.00 0.00 176.95 176.24 2dk6 s HIS 32 N -1.97 1.15 0.94 -1.98 3.76 -1.16 -4.98 115.29 111.05 2dk6 s HIS 32 Ca 0.55 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.88 2dk6 s HIS 32 Cb -0.11 -0.98 0.10 0.00 1.11 0.00 0.00 32.58 32.70 2dk6 s HIS 32 CO 0.17 -0.36 0.81 -0.12 -0.85 0.00 0.00 174.74 174.39 2dk6 n MET 33 N 4.56 -0.46 -2.49 1.40 1.56 -1.26 -2.27 117.12 118.16 2dk6 n MET 33 Ca -0.16 -0.08 -0.43 0.00 -0.27 0.00 0.00 57.70 56.76 2dk6 n MET 33 Cb 0.51 -2.14 -0.02 0.00 2.15 0.00 0.00 33.22 33.71 2dk6 n MET 33 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 2dk6 s PHE 34 N -2.52 2.71 0.11 1.12 0.40 -0.43 -4.81 117.98 114.55 2dk6 s PHE 34 Ca 0.62 0.81 0.10 0.00 -0.60 0.00 0.00 56.93 57.86 2dk6 s PHE 34 Cb -0.22 -4.17 -0.04 0.00 0.51 0.00 0.00 43.02 39.10 2dk6 s PHE 34 CO 0.62 -1.52 -0.25 -0.65 0.70 0.00 0.00 175.22 174.13 2dk6 s GLN 35 N 4.41 1.59 0.21 0.44 1.11 -1.26 -2.46 119.66 123.69 2dk6 s GLN 35 Ca 0.53 -1.25 -0.30 0.00 0.01 0.00 0.00 55.36 54.35 2dk6 s GLN 35 Cb -0.12 -1.97 -0.09 0.00 -1.01 0.00 0.00 33.01 29.82 2dk6 s GLN 35 CO 0.28 0.47 1.30 -1.25 0.01 0.00 0.00 175.29 176.09 2dk6 s PRO 36 N -1.90 4.40 0.07 2.91 0.04 -1.25 -4.95 135.00 134.31 2dk6 s PRO 36 Ca 0.14 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 2dk6 s PRO 36 Cb -0.10 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2dk6 s PRO 36 CO 0.06 -0.23 1.24 0.22 0.04 0.00 0.00 177.00 178.34 2dk6 h ASP 37 N 5.20 -0.93 -3.34 6.66 3.58 -1.86 -3.40 116.42 122.34 2dk6 h ASP 37 Ca -0.45 0.13 -0.55 0.00 0.42 0.00 0.00 57.03 56.58 2dk6 h ASP 37 Cb 1.22 0.40 -0.34 0.00 1.72 0.00 0.00 39.33 42.32 2dk6 h ASP 37 CO 0.76 -0.13 -0.83 -0.89 -2.88 0.00 0.00 179.24 175.27 2dk6 s THR 38 N -4.14 1.31 0.14 2.25 2.01 -1.22 -5.03 115.64 110.96 2dk6 s THR 38 Ca -0.06 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 2dk6 s THR 38 Cb 0.05 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2dk6 s THR 38 CO 0.28 0.40 1.61 -0.55 -0.69 0.00 0.00 174.62 175.67 2dk6 h ASN 39 N 7.20 -1.00 -0.50 3.53 -1.07 -1.99 0.12 115.58 121.86 2dk6 h ASN 39 Ca -0.30 0.16 0.00 0.00 0.07 0.00 0.00 56.30 56.23 2dk6 h ASN 39 Cb 1.18 0.44 -0.02 0.00 -2.07 0.00 0.00 38.32 37.85 2dk6 h ASN 39 CO 0.47 -0.34 0.32 -1.28 0.07 0.00 0.00 177.43 176.68 2dk6 h SER 40 N -0.34 0.59 -3.39 6.14 0.87 -1.98 -3.34 113.55 112.10 2dk6 h SER 40 Ca 0.12 -0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 60.03 2dk6 h SER 40 Cb 0.53 -0.15 -0.41 0.00 -0.44 0.00 0.00 62.40 61.94 2dk6 h SER 40 CO -0.40 0.44 -0.66 -1.10 -0.53 0.00 0.00 176.83 174.57 2dk6 s GLN 41 N -6.10 1.95 0.47 2.24 1.11 -0.73 -5.09 119.66 113.50 2dk6 s GLN 41 Ca -0.13 -2.78 0.07 0.00 0.01 0.00 0.00 55.36 52.52 2dk6 s GLN 41 Cb 0.12 -2.96 -0.00 0.00 -1.01 0.00 0.00 33.01 29.16 2dk6 s GLN 41 CO 0.74 -1.23 0.35 0.00 0.01 0.00 0.00 175.29 175.16 2dk6 n SER 43 N -1.58 0.61 -4.21 0.00 7.64 -1.26 -5.00 113.62 109.81 2dk6 n SER 43 Ca 0.01 0.14 -0.15 0.00 1.01 0.00 0.00 58.87 59.88 2dk6 n SER 43 Cb 0.63 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.68 1.08 0.19 0.44 -7.23 -1.26 -5.07 120.40 106.87 2dk6 s VAL 44 Ca 0.00 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2dk6 s VAL 44 Cb 0.00 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2dk6 s VAL 44 CO 0.00 -0.57 0.07 -0.44 -0.31 0.00 0.00 175.10 173.85 2dk6 s SER 45 N -2.62 0.75 0.35 4.85 0.01 -1.26 -3.97 113.70 111.81 2dk6 s SER 45 Ca 0.09 -1.29 0.23 0.00 1.31 0.00 0.00 55.95 56.29 2dk6 s SER 45 Cb -0.02 0.23 1.23 0.00 0.21 0.00 0.00 66.02 67.67 2dk6 s SER 45 CO 0.01 -0.71 1.36 -1.54 0.41 0.00 0.00 173.24 172.76 2dk6 n SER 46 N -0.27 0.24 0.14 2.44 3.41 -1.03 0.53 113.62 119.08 2dk6 n SER 46 Ca -0.03 1.31 -0.12 0.00 -0.26 0.00 0.00 58.87 59.78 2dk6 n SER 46 Cb 0.65 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2dk6 n SER 46 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dk6 h GLU 47 N 0.00 -0.39 -0.25 4.33 4.57 -1.93 -2.65 114.58 118.26 2dk6 h GLU 47 Ca 0.75 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.99 2dk6 h GLU 47 Cb 2.21 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 30.82 2dk6 h GLU 47 CO -0.53 -0.05 -0.49 -0.44 -1.18 0.00 0.00 179.01 176.32 2dk6 h ASP 48 N -0.89 -1.59 -0.56 1.04 5.19 -0.30 -0.08 116.42 119.23 2dk6 h ASP 48 Ca -0.04 0.20 0.11 0.00 -0.62 0.00 0.00 57.03 56.68 2dk6 h ASP 48 Cb 0.52 0.64 -0.11 0.00 0.18 0.00 0.00 39.33 40.56 2dk6 h ASP 48 CO 0.07 -0.39 -0.14 0.40 -3.12 0.00 0.00 179.24 176.06 2dk6 h ILE 49 N -0.42 0.44 -0.24 0.35 2.04 -1.45 -1.28 117.51 116.95 2dk6 h ILE 49 Ca 0.05 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 2dk6 h ILE 49 Cb 0.56 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2dk6 h ILE 49 CO -0.46 0.00 -0.19 -0.08 0.00 0.00 0.00 178.15 177.42 2dk6 h GLU 50 N 0.00 -0.17 -0.86 2.37 4.22 -0.90 -1.16 114.58 118.07 2dk6 h GLU 50 Ca 0.27 0.01 0.19 0.00 0.08 0.00 0.00 59.36 59.92 2dk6 h GLU 50 Cb 0.41 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.59 2dk6 h GLU 50 CO -0.58 -0.12 0.38 -0.22 -2.18 0.00 0.00 179.01 176.29 2dk6 h LYS 51 N -0.18 0.43 -0.71 1.92 3.64 0.12 0.12 116.57 121.91 2dk6 h LYS 51 Ca 0.14 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2dk6 h LYS 51 Cb 0.39 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2dk6 h LYS 51 CO -0.35 0.28 0.30 1.03 -2.27 0.00 0.00 179.45 178.45 2dk6 h SER 52 N 0.44 0.97 -0.78 4.20 0.87 -0.74 -2.74 113.55 115.77 2dk6 h SER 52 Ca 0.51 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2dk6 h SER 52 Cb 0.90 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 2dk6 h SER 52 CO -0.48 0.86 0.43 0.15 -0.53 0.00 0.00 176.83 177.26 2dk6 h PHE 53 N 1.01 1.06 0.19 2.24 3.04 -0.02 0.45 116.94 124.91 2dk6 h PHE 53 Ca 0.24 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2dk6 h PHE 53 Cb 0.19 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 2dk6 h PHE 53 CO 0.01 0.75 -0.36 0.87 -2.02 0.00 0.00 178.31 177.55 2dk6 h LYS 54 N 1.07 -0.58 -0.02 1.11 1.57 -0.94 0.20 116.57 118.98 2dk6 h LYS 54 Ca 0.27 0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 2dk6 h LYS 54 Cb 0.03 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2dk6 h LYS 54 CO -0.04 -0.38 -0.44 0.00 -0.57 0.00 0.00 179.45 178.01 2dk6 h THR 55 N -0.60 1.32 -2.87 -0.16 1.03 -1.50 -3.35 112.91 106.78 2dk6 h THR 55 Ca -0.02 -1.53 -0.61 0.00 -0.01 0.00 0.00 66.41 64.24 2dk6 h THR 55 Cb 0.56 1.80 -0.41 0.00 -1.07 0.00 0.00 68.15 69.04 2dk6 h THR 55 CO -0.14 0.44 -0.71 0.20 -0.01 0.00 0.00 175.52 175.30 2dk6 s ASN 56 N -6.90 3.70 0.32 0.00 -0.87 0.16 -4.93 114.94 106.41 2dk6 s ASN 56 Ca -0.03 -3.48 0.11 0.00 -1.57 0.00 0.00 52.86 47.89 2dk6 s ASN 56 Cb 0.14 -1.23 0.54 0.00 -0.02 0.00 0.00 41.25 40.68 2dk6 s ASN 56 CO 0.74 -0.13 1.72 1.55 -2.57 0.00 0.00 177.10 178.41 2dk6 h PRO 57 N 5.63 0.02 -1.08 -0.60 0.13 -0.77 -3.24 132.00 132.09 2dk6 h PRO 57 Ca 0.16 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.59 0.50 -0.83 0.00 -0.23 0.00 0.00 178.00 178.03 2dk6 n GLY 59 N -0.55 3.89 3.60 0.00 0.00 -1.22 -4.49 105.19 106.42 2dk6 n GLY 59 Ca 0.36 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.41 -0.20 1.61 1.04 -1.26 -2.65 113.70 112.83 2dk6 s SER 60 Ca 0.00 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.05 2dk6 s SER 60 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2dk6 s SER 60 CO 0.00 -0.27 -0.18 -0.51 0.98 0.00 0.00 173.24 173.26 2dk6 s ILE 61 N -0.56 2.11 -0.57 -1.02 2.07 -0.59 -4.97 121.20 117.66 2dk6 s ILE 61 Ca -0.00 -1.06 -0.13 0.00 -1.41 0.00 0.00 60.65 58.05 2dk6 s ILE 61 Cb -0.02 -1.96 0.14 0.00 0.13 0.00 0.00 42.46 40.76 2dk6 s ILE 61 CO -0.01 0.43 0.49 -0.94 -1.91 0.00 0.00 174.94 173.00 2dk6 s SER 62 N 1.26 6.08 0.31 4.50 1.04 -1.26 -2.35 113.70 123.27 2dk6 s SER 62 Ca 0.02 -2.06 0.11 0.00 0.48 0.00 0.00 55.95 54.50 2dk6 s SER 62 Cb -0.14 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 2dk6 s SER 62 CO -0.11 -0.72 -0.14 0.72 0.98 0.00 0.00 173.24 173.97 2dk6 s PHE 63 N 1.16 2.37 -0.04 5.02 -0.12 -0.99 -5.00 117.98 120.39 2dk6 s PHE 63 Ca 0.07 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 2dk6 s PHE 63 Cb -0.25 -1.17 0.03 0.00 -0.63 0.00 0.00 43.02 41.00 2dk6 s PHE 63 CO -0.01 0.65 0.08 0.95 -0.05 0.00 0.00 175.22 176.84 2dk6 s THR 64 N -2.53 -0.04 -0.79 -4.49 -4.23 -1.26 -1.90 115.64 100.40 2dk6 s THR 64 Ca 0.31 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2dk6 s THR 64 Cb -0.02 -0.14 0.36 0.00 1.34 0.00 0.00 72.50 74.03 2dk6 s THR 64 CO 0.16 0.05 1.79 0.35 -0.54 0.00 0.00 174.62 176.44 2dk6 n THR 65 N 3.81 3.76 -1.81 3.99 -2.24 -1.25 -4.81 114.28 115.73 2dk6 n THR 65 Ca -0.22 -4.73 0.00 0.00 -2.27 0.00 0.00 64.05 56.82 2dk6 n THR 65 Cb 0.54 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 2dk6 n THR 65 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk6 n SER 66 N -0.44 -0.54 0.02 3.42 2.88 -1.26 -4.41 113.62 113.28 2dk6 n SER 66 Ca 0.49 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2dk6 n SER 66 Cb 0.32 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2dk6 n SER 66 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dk6 n LYS 67 N -1.81 0.00 -3.65 -1.46 4.81 -1.26 -5.12 118.16 109.67 2dk6 n LYS 67 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2dk6 n LYS 67 Cb 0.27 -0.13 -0.08 0.00 0.02 0.00 0.00 35.03 35.11 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2dk6 s PHE 68 N -2.00 -0.80 0.08 5.64 0.08 -1.26 -5.11 117.98 114.61 2dk6 s PHE 68 Ca 0.00 1.84 -0.30 0.00 0.12 0.00 0.00 56.93 58.59 2dk6 s PHE 68 Cb 0.00 0.33 -0.05 0.00 -0.57 0.00 0.00 43.02 42.73 2dk6 s PHE 68 CO 0.00 -0.39 1.06 -1.12 -0.10 0.00 0.00 175.22 174.67 2dk6 s SER 69 N 0.66 7.31 0.02 1.36 0.01 -1.26 -3.85 113.70 117.94 2dk6 s SER 69 Ca -0.02 1.87 0.05 0.00 1.31 0.00 0.00 55.95 59.15 2dk6 s SER 69 Cb -0.05 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2dk6 s SER 69 CO -0.04 -0.26 -0.14 -0.31 0.41 0.00 0.00 173.24 172.91 2dk6 s TYR 70 N 0.50 1.21 -0.30 2.43 2.02 -0.80 -2.62 117.35 119.80 2dk6 s TYR 70 Ca 0.52 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2dk6 s TYR 70 Cb -0.25 -0.75 0.09 0.00 -0.40 0.00 0.00 41.96 40.65 2dk6 s TYR 70 CO 0.30 0.01 0.07 0.21 -1.57 0.00 0.00 175.55 174.57 2dk6 s LYS 71 N -0.76 0.94 -0.38 -0.62 2.20 0.76 -2.36 119.74 119.53 2dk6 s LYS 71 Ca 0.03 -1.17 -0.20 0.00 -0.36 0.00 0.00 55.97 54.28 2dk6 s LYS 71 Cb -0.07 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 2dk6 s LYS 71 CO 0.00 -0.91 0.59 0.42 -0.36 0.00 0.00 175.35 175.09 2dk6 s ILE 72 N 1.48 4.93 -0.56 5.43 1.01 -0.99 0.30 121.20 132.79 2dk6 s ILE 72 Ca 0.08 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 2dk6 s ILE 72 Cb -0.18 -4.07 0.11 0.00 0.01 0.00 0.00 42.46 38.34 2dk6 s ILE 72 CO -0.19 -0.36 0.60 -1.81 0.00 0.00 0.00 174.94 173.19 2dk6 s ASP 73 N 1.83 6.19 0.22 3.58 1.11 -0.72 -1.54 116.67 127.34 2dk6 s ASP 73 Ca 0.21 -1.55 -0.07 0.00 0.18 0.00 0.00 52.55 51.32 2dk6 s ASP 73 Cb -0.15 -2.26 0.29 0.00 1.07 0.00 0.00 42.92 41.88 2dk6 s ASP 73 CO 0.15 -0.98 1.81 -0.26 1.18 0.00 0.00 175.17 177.07 2dk6 h PHE 74 N 9.04 0.76 -0.64 4.23 0.04 -1.75 0.04 116.94 128.66 2dk6 h PHE 74 Ca -0.30 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.59 2dk6 h PHE 74 Cb 1.09 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.94 2dk6 h PHE 74 CO 0.78 0.35 0.27 0.00 -0.60 0.00 0.00 178.31 179.11 2dk6 h ALA 75 N 1.38 0.84 0.00 2.45 0.00 -1.61 0.98 119.26 123.31 2dk6 h ALA 75 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2dk6 h ALA 75 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dk6 h ALA 75 CO -0.20 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.29 2dk6 n GLU 76 N -4.95 0.18 -3.47 0.00 1.02 -0.77 -4.92 120.64 107.72 2dk6 n GLU 76 Ca 0.09 0.18 -0.21 0.00 -0.02 0.00 0.00 57.16 57.20 2dk6 n GLU 76 Cb 0.27 -1.73 0.07 0.00 -0.02 0.00 0.00 31.44 30.04 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2dk6 n MET 77 N -2.05 -7.12 -3.58 3.49 2.81 0.34 -4.99 117.12 106.01 2dk6 n MET 77 Ca 0.06 0.76 -0.09 0.00 -1.81 0.00 0.00 57.70 56.62 2dk6 n MET 77 Cb 0.39 -5.61 -0.02 0.00 -0.71 0.00 0.00 33.22 27.27 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 1.28 0.31 0.03 -2.85 -1.12 -2.83 119.74 108.52 2dk6 s LYS 78 Ca 0.45 -0.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.85 2dk6 s LYS 78 Cb -0.20 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2dk6 s LYS 78 CO 0.67 -0.57 0.50 -1.14 0.10 0.00 0.00 175.35 174.91 2dk6 s GLN 79 N -3.59 3.49 -0.18 1.78 0.74 0.96 -1.76 119.66 121.10 2dk6 s GLN 79 Ca 0.06 -0.39 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 2dk6 s GLN 79 Cb -0.02 -2.72 0.06 0.00 1.10 0.00 0.00 33.01 31.43 2dk6 s GLN 79 CO -0.06 0.23 0.05 1.41 -0.55 0.00 0.00 175.29 176.37 2dk6 s MET 80 N -4.10 0.53 0.22 1.67 -2.45 0.15 -3.06 119.30 112.25 2dk6 s MET 80 Ca 0.39 -0.33 -0.24 0.00 -1.25 0.00 0.00 55.69 54.26 2dk6 s MET 80 Cb -0.10 -2.00 -0.09 0.00 1.25 0.00 0.00 34.83 33.90 2dk6 s MET 80 CO 0.34 -0.63 0.81 -0.80 1.05 0.00 0.00 175.02 175.79 2dk6 s ASN 81 N 1.92 7.30 -0.03 1.11 -0.87 0.25 -0.17 114.94 124.45 2dk6 s ASN 81 Ca -0.00 1.64 0.12 0.00 -1.57 0.00 0.00 52.86 53.06 2dk6 s ASN 81 Cb -0.17 -2.50 -0.19 0.00 -0.02 0.00 0.00 41.25 38.37 2dk6 s ASN 81 CO -0.08 0.09 0.24 0.18 -2.57 0.00 0.00 177.10 174.96 2dk6 n LEU 82 N 1.09 0.00 0.00 0.60 7.99 -1.08 -2.94 117.00 122.66 2dk6 n LEU 82 Ca -0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.80 2dk6 n LEU 82 Cb 0.50 0.04 -0.12 0.00 -0.11 0.00 0.00 43.42 43.73 2dk6 n LEU 82 CO 0.45 0.04 0.25 0.00 -1.51 0.00 0.00 177.39 176.62 2dk6 h THR 83 N 0.00 1.49 0.00 -5.08 1.03 -1.94 -3.39 112.91 105.02 2dk6 h THR 83 Ca -0.04 -2.15 -0.11 0.00 -0.01 0.00 0.00 66.41 64.10 2dk6 h THR 83 Cb 0.74 2.79 -0.02 0.00 -1.07 0.00 0.00 68.15 70.58 2dk6 h THR 83 CO 0.00 0.61 -1.59 0.35 -0.01 0.00 0.00 175.52 174.88 2dk6 n THR 84 N -4.28 0.40 -1.27 0.00 -2.24 -1.26 -5.03 114.28 100.60 2dk6 n THR 84 Ca -0.11 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2dk6 n THR 84 Cb 0.65 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 2.20 0.83 3.89 3.38 0.00 -1.15 -5.07 105.19 109.28 2dk6 n GLY 85 Ca -0.10 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.80 3.65 -0.20 1.61 -0.14 -1.25 -4.80 119.74 115.80 2dk6 s LYS 86 Ca 0.00 -0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.60 2dk6 s LYS 86 Cb 0.00 -2.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.29 2dk6 s LYS 86 CO 0.00 0.49 -0.17 1.14 -0.76 0.00 0.00 175.35 176.06 2dk6 s GLN 87 N -2.45 2.83 -0.17 1.68 -2.07 -1.26 -0.58 119.66 117.63 2dk6 s GLN 87 Ca 0.39 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 2dk6 s GLN 87 Cb -0.12 -2.68 0.01 0.00 -1.09 0.00 0.00 33.01 29.13 2dk6 s GLN 87 CO 0.23 -0.30 -0.17 1.03 -1.32 0.00 0.00 175.29 174.76 2dk6 s ARG 88 N 1.26 3.10 1.04 9.60 0.52 -1.17 -4.92 118.95 128.38 2dk6 s ARG 88 Ca 0.02 -0.79 -0.18 0.00 -0.52 0.00 0.00 55.73 54.26 2dk6 s ARG 88 Cb -0.15 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.73 2dk6 s ARG 88 CO -0.10 -0.12 -0.09 -0.11 0.02 0.00 0.00 175.30 174.89 2dk6 n LEU 89 N 4.43 -2.01 -3.90 2.53 7.94 -1.26 -0.03 117.00 124.69 2dk6 n LEU 89 Ca -0.20 0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.65 2dk6 n LEU 89 Cb 0.51 -0.98 -0.13 0.00 0.53 0.00 0.00 43.42 43.35 2dk6 n LEU 89 CO 0.27 -3.44 -0.35 0.27 -1.11 0.00 0.00 177.39 173.03 2dk6 s ILE 90 N -2.25 0.04 0.04 1.96 -4.36 -1.13 -0.62 121.20 114.88 2dk6 s ILE 90 Ca 0.53 -0.30 0.04 0.00 -0.26 0.00 0.00 60.65 60.65 2dk6 s ILE 90 Cb -0.13 -0.10 -0.02 0.00 1.25 0.00 0.00 42.46 43.46 2dk6 s ILE 90 CO 0.68 -0.17 -0.11 -1.59 0.24 0.00 0.00 174.94 173.99 2dk6 s LYS 91 N -0.49 0.72 -0.33 0.37 -2.85 0.54 -4.71 119.74 113.00 2dk6 s LYS 91 Ca -0.05 -0.73 0.02 0.00 -1.00 0.00 0.00 55.97 54.20 2dk6 s LYS 91 Cb -0.03 -0.65 0.08 0.00 -2.06 0.00 0.00 37.83 35.17 2dk6 s LYS 91 CO -0.00 0.15 0.03 0.50 0.10 0.00 0.00 175.35 176.13 2dk6 s ARG 92 N -1.28 1.90 0.20 1.78 3.52 -1.26 -1.02 118.95 122.79 2dk6 s ARG 92 Ca -0.03 -1.65 0.06 0.00 -0.13 0.00 0.00 55.73 53.99 2dk6 s ARG 92 Cb -0.08 -3.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2dk6 s ARG 92 CO 0.01 -0.83 -0.10 0.00 -0.81 0.00 0.00 175.30 173.57 2dk6 s ALA 93 N 1.05 1.90 0.63 6.12 0.00 -0.97 -4.92 121.76 125.56 2dk6 s ALA 93 Ca 0.03 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 2dk6 s ALA 93 Cb -0.20 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2dk6 s ALA 93 CO -0.06 -0.03 1.11 -1.25 0.00 0.00 0.00 175.76 175.54 2dk6 s PRO 94 N -3.71 2.95 -0.35 0.00 0.04 -1.26 0.13 135.00 132.80 2dk6 s PRO 94 Ca 0.23 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 2dk6 s PRO 94 Cb 0.02 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2dk6 s PRO 94 CO 0.06 -1.14 2.31 1.19 0.04 0.00 0.00 177.00 179.46 2dk6 n PHE 95 N -2.12 1.70 -0.27 0.56 3.01 -0.96 -4.71 117.46 114.67 2dk6 n PHE 95 Ca 0.11 0.01 0.21 0.00 1.01 0.00 0.00 57.45 58.78 2dk6 n PHE 95 Cb 0.52 -2.67 0.39 0.00 -0.01 0.00 0.00 39.48 37.70 2dk6 n PHE 95 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2dk6 n SER 96 N 13.28 0.14 -4.02 4.37 7.64 -1.26 -2.67 113.62 131.10 2dk6 n SER 96 Ca 0.34 1.36 -0.32 0.00 1.01 0.00 0.00 58.87 61.25 2dk6 n SER 96 Cb 0.47 -0.60 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 2dk6 n SER 96 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk6 s SER 97 N -4.76 4.74 -0.66 6.43 1.04 -1.26 -5.03 113.70 114.19 2dk6 s SER 97 Ca -0.08 -2.69 -0.03 0.00 0.48 0.00 0.00 55.95 53.62 2dk6 s SER 97 Cb 0.26 -1.71 0.17 0.00 0.10 0.00 0.00 66.02 64.84 2dk6 s SER 97 CO 0.63 -0.33 0.48 -0.83 0.98 0.00 0.00 173.24 174.17 2dk6 s GLY 98 N 0.42 2.57 0.99 7.32 0.00 -1.09 -5.09 107.32 112.45 2dk6 s GLY 98 Ca 0.15 -3.34 -0.12 0.00 0.00 0.00 0.00 44.72 41.41 2dk6 s GLY 98 CO -0.03 1.11 1.09 2.56 0.00 0.00 0.00 173.10 177.84 2dk6 s PRO 99 N -0.21 0.50 0.06 2.90 0.04 -1.26 -4.84 135.00 132.19 2dk6 s PRO 99 Ca 0.18 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.78 2dk6 s PRO 99 Cb -0.19 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2dk6 s PRO 99 CO -0.04 -2.69 -0.06 0.45 0.04 0.00 0.00 177.00 174.70 2dk6 s SER 100 N -3.45 0.77 -1.50 6.66 0.15 -1.26 -4.85 113.70 110.23 2dk6 s SER 100 Ca 0.65 -0.77 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 2dk6 s SER 100 Cb -0.19 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.29 2dk6 s SER 100 CO 0.58 -0.38 0.90 -1.20 1.20 0.00 0.00 173.24 174.34 2dk6 n SER 101 N 0.76 -3.90 0.00 5.45 7.64 -1.26 -5.14 113.62 117.17 2dk6 n SER 101 Ca -0.18 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2dk6 n SER 101 Cb 0.58 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64