#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 5.50 -0.12 1.61 0.01 -1.26 -5.08 113.70 114.37 2dk6 s SER 2 Ca 0.00 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 2dk6 s SER 2 Cb 0.00 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 2dk6 s SER 2 CO 0.00 -0.63 -0.15 -0.24 0.41 0.00 0.00 173.24 172.63 2dk6 n SER 3 N -1.68 1.48 0.00 2.44 2.88 -1.26 -5.07 113.62 112.41 2dk6 n SER 3 Ca 0.04 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2dk6 n SER 3 Cb 0.60 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2dk6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk6 n GLY 4 N 1.63 1.06 3.62 0.46 0.00 -1.26 -5.11 105.19 105.59 2dk6 n GLY 4 Ca -0.06 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2dk6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk6 s SER 5 N 0.00 6.69 -0.26 1.61 0.01 -1.26 -4.98 113.70 115.51 2dk6 s SER 5 Ca 0.00 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.00 2dk6 s SER 5 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.79 2dk6 s SER 5 CO 0.00 -1.13 0.58 -0.94 0.41 0.00 0.00 173.24 172.16 2dk6 s SER 6 N 2.50 -0.84 0.22 2.44 1.04 -1.26 -5.07 113.70 112.74 2dk6 s SER 6 Ca 0.51 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.30 2dk6 s SER 6 Cb -0.12 1.67 0.00 0.00 0.10 0.00 0.00 66.02 67.68 2dk6 s SER 6 CO 0.25 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2dk6 n GLY 7 N 4.98 -0.26 3.48 7.32 0.00 -1.26 -5.00 105.19 114.45 2dk6 n GLY 7 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.01 6.42 -0.33 1.61 3.84 -1.26 -4.96 114.94 115.24 2dk6 s ASN 8 Ca 0.00 -1.46 0.03 0.00 0.21 0.00 0.00 52.86 51.64 2dk6 s ASN 8 Cb 0.00 -2.45 0.09 0.00 -0.55 0.00 0.00 41.25 38.34 2dk6 s ASN 8 CO 0.00 -1.33 0.03 -1.61 -2.79 0.00 0.00 177.10 171.40 2dk6 s GLU 9 N 3.81 1.66 -0.02 0.43 0.41 -1.26 -5.08 118.70 118.64 2dk6 s GLU 9 Ca 0.32 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 2dk6 s GLU 9 Cb -0.08 -3.17 0.03 0.00 -1.78 0.00 0.00 34.13 29.13 2dk6 s GLU 9 CO -0.01 -0.88 0.03 0.14 -0.49 0.00 0.00 175.26 174.05 2dk6 s VAL 10 N 0.95 -0.02 0.44 2.63 -7.23 -1.26 -5.14 120.40 110.78 2dk6 s VAL 10 Ca 0.07 0.20 0.04 0.00 -1.81 0.00 0.00 61.98 60.48 2dk6 s VAL 10 Cb -0.19 -0.12 0.08 0.00 0.56 0.00 0.00 36.38 36.71 2dk6 s VAL 10 CO -0.07 0.10 0.61 -0.90 -0.31 0.00 0.00 175.10 174.53 2dk6 n ASP 11 N 4.21 1.22 -3.80 4.85 5.75 -1.26 -4.99 116.55 122.53 2dk6 n ASP 11 Ca -0.27 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.15 2dk6 n ASP 11 Cb 0.50 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2dk6 n ASP 11 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2dk6 n ASP 12 N -2.71 4.28 -4.11 -1.12 5.75 -1.26 -4.90 116.55 112.48 2dk6 n ASP 12 Ca 0.11 -2.93 -0.12 0.00 -0.01 0.00 0.00 54.79 51.85 2dk6 n ASP 12 Cb 0.41 -1.61 -0.11 0.00 -1.03 0.00 0.00 41.12 38.78 2dk6 n ASP 12 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2dk6 s MET 13 N 2.37 0.67 -0.89 0.11 -1.94 -1.26 -5.06 119.30 113.30 2dk6 s MET 13 Ca 0.45 -1.00 -0.04 0.00 -1.71 0.00 0.00 55.69 53.38 2dk6 s MET 13 Cb 0.12 -0.28 0.12 0.00 2.01 0.00 0.00 34.83 36.80 2dk6 s MET 13 CO -0.06 0.03 2.49 -0.25 -0.01 0.00 0.00 175.02 177.23 2dk6 n ASP 14 N 0.83 7.28 -0.01 3.03 9.92 -1.26 -4.52 116.55 131.83 2dk6 n ASP 14 Ca -0.18 -3.25 -0.21 0.00 -0.53 0.00 0.00 54.79 50.62 2dk6 n ASP 14 Cb 0.57 -1.27 -0.13 0.00 -0.64 0.00 0.00 41.12 39.64 2dk6 n ASP 14 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2dk6 h THR 15 N 2.27 1.13 -0.93 -3.53 1.35 -1.97 -3.37 112.91 107.87 2dk6 h THR 15 Ca 0.55 -2.38 -0.61 0.00 -0.55 0.00 0.00 66.41 63.42 2dk6 h THR 15 Cb 0.47 2.75 -0.30 0.00 -1.73 0.00 0.00 68.15 69.34 2dk6 h THR 15 CO 1.19 0.64 0.56 -0.24 -0.25 0.00 0.00 175.52 177.42 2dk6 n SER 16 N -4.07 6.43 -3.53 5.36 2.88 -1.26 -4.88 113.62 114.55 2dk6 n SER 16 Ca -0.24 -3.76 -0.20 0.00 -1.33 0.00 0.00 58.87 53.35 2dk6 n SER 16 Cb 0.82 -0.85 0.08 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.94 -3.25 -4.44 -3.46 -0.08 -1.26 -4.77 116.55 98.36 2dk6 n ASP 17 Ca 0.58 -0.63 -0.47 0.00 -1.51 0.00 0.00 54.79 52.77 2dk6 n ASP 17 Cb 0.88 -4.94 -0.11 0.00 2.34 0.00 0.00 41.12 39.30 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 -4.41 0.03 -2.53 5.18 -1.04 -1.26 -4.88 114.28 105.37 2dk6 n THR 18 Ca -0.20 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.05 61.27 2dk6 n THR 18 Cb 0.63 -1.13 -0.04 0.00 -1.82 0.00 0.00 70.33 67.98 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 7.54 4.12 -0.39 -2.82 -1.52 -1.25 -4.92 119.66 120.42 2dk6 s GLN 19 Ca 1.20 1.51 -0.07 0.00 -1.95 0.00 0.00 55.36 56.05 2dk6 s GLN 19 Cb -1.05 -2.50 0.07 0.00 -0.22 0.00 0.00 33.01 29.30 2dk6 s GLN 19 CO 0.49 -0.18 0.19 -1.58 -0.25 0.00 0.00 175.29 173.97 2dk6 s TRP 20 N -1.68 3.34 -0.10 0.91 0.52 -1.26 -0.16 118.94 120.51 2dk6 s TRP 20 Ca 0.59 -1.63 -0.04 0.00 0.02 0.00 0.00 56.10 55.03 2dk6 s TRP 20 Cb -0.22 -2.75 -0.04 0.00 -1.15 0.00 0.00 33.47 29.31 2dk6 s TRP 20 CO 0.27 -0.83 0.07 0.20 0.02 0.00 0.00 176.95 176.69 2dk6 s GLY 21 N 1.83 2.01 0.15 0.98 0.00 -0.30 -4.90 107.32 107.09 2dk6 s GLY 21 Ca 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 2dk6 s GLY 21 CO 0.01 -0.48 0.50 -0.98 0.00 0.00 0.00 173.10 172.15 2dk6 s TRP 22 N -0.96 3.54 0.20 1.90 0.52 -1.26 -2.65 118.94 120.23 2dk6 s TRP 22 Ca 0.14 0.89 0.01 0.00 0.02 0.00 0.00 56.10 57.17 2dk6 s TRP 22 Cb -0.12 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.90 2dk6 s TRP 22 CO 0.03 0.41 0.06 -0.06 0.02 0.00 0.00 176.95 177.42 2dk6 s PHE 23 N -1.56 1.27 -0.06 -1.98 0.40 -0.76 -2.82 117.98 112.47 2dk6 s PHE 23 Ca 0.39 -1.17 -0.05 0.00 -0.60 0.00 0.00 56.93 55.50 2dk6 s PHE 23 Cb -0.13 -0.72 0.02 0.00 0.51 0.00 0.00 43.02 42.70 2dk6 s PHE 23 CO 0.20 -0.37 0.16 1.52 0.70 0.00 0.00 175.22 177.43 2dk6 s TYR 24 N -3.83 -0.18 0.18 0.36 1.13 -0.53 -2.38 117.35 112.10 2dk6 s TYR 24 Ca 0.31 0.45 -0.30 0.00 -1.41 0.00 0.00 57.07 56.12 2dk6 s TYR 24 Cb 0.07 0.05 -0.09 0.00 -1.10 0.00 0.00 41.96 40.89 2dk6 s TYR 24 CO 0.08 -0.10 1.32 -1.17 -2.51 0.00 0.00 175.55 173.18 2dk6 s LEU 25 N 0.21 4.41 0.00 -3.49 2.96 0.90 -0.63 118.68 123.03 2dk6 s LEU 25 Ca -0.01 2.38 -0.00 0.00 -0.22 0.00 0.00 54.13 56.28 2dk6 s LEU 25 Cb -0.02 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.16 2dk6 s LEU 25 CO -0.01 -0.55 0.64 0.00 -1.32 0.00 0.00 176.35 175.11 2dk6 n ALA 26 N 2.88 0.10 0.23 5.97 0.00 0.22 -4.24 120.51 125.67 2dk6 n ALA 26 Ca 0.07 -1.24 -0.15 0.00 0.00 0.00 0.00 53.44 52.13 2dk6 n ALA 26 Cb 0.43 0.20 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 2dk6 n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dk6 h GLU 27 N 0.00 -0.55 -0.58 0.00 4.81 -1.96 -2.92 114.58 113.39 2dk6 h GLU 27 Ca -0.21 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2dk6 h GLU 27 Cb 0.77 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2dk6 h GLU 27 CO 0.22 -0.27 0.39 0.00 -0.73 0.00 0.00 179.01 178.62 2dk6 n GLY 29 N -1.53 0.99 3.14 0.00 0.00 -1.10 -5.15 105.19 101.54 2dk6 n GLY 29 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2dk6 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk6 s LYS 30 N 0.03 1.09 -0.28 1.61 -2.85 -1.26 -4.84 119.74 113.23 2dk6 s LYS 30 Ca 0.00 -0.64 -0.24 0.00 -1.00 0.00 0.00 55.97 54.08 2dk6 s LYS 30 Cb 0.00 -1.08 -0.00 0.00 -2.06 0.00 0.00 37.83 34.69 2dk6 s LYS 30 CO 0.00 0.28 0.81 -1.58 0.10 0.00 0.00 175.35 174.97 2dk6 s TRP 31 N -0.58 3.24 0.28 1.78 0.52 -1.26 0.69 118.94 123.61 2dk6 s TRP 31 Ca 0.04 0.95 0.06 0.00 0.02 0.00 0.00 56.10 57.17 2dk6 s TRP 31 Cb -0.07 -3.18 -0.02 0.00 -1.15 0.00 0.00 33.47 29.05 2dk6 s TRP 31 CO 0.00 -0.51 0.36 -1.01 0.02 0.00 0.00 176.95 175.81 2dk6 s HIS 32 N 2.94 3.26 -0.29 -1.98 3.76 0.19 -4.80 115.29 118.38 2dk6 s HIS 32 Ca 0.34 -0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.95 2dk6 s HIS 32 Cb -0.14 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2dk6 s HIS 32 CO 0.11 0.31 0.56 1.41 -0.85 0.00 0.00 174.74 176.28 2dk6 s MET 33 N -4.01 3.95 -0.03 1.40 1.75 -1.26 -1.45 119.30 119.64 2dk6 s MET 33 Ca 0.37 0.26 -0.39 0.00 -1.25 0.00 0.00 55.69 54.69 2dk6 s MET 33 Cb -0.09 -3.70 -0.18 0.00 2.84 0.00 0.00 34.83 33.71 2dk6 s MET 33 CO 0.29 -0.48 1.35 1.19 -0.65 0.00 0.00 175.02 176.72 2dk6 n PHE 34 N 5.71 1.39 -3.69 4.11 3.72 -1.13 -4.95 117.46 122.61 2dk6 n PHE 34 Ca -0.03 0.76 -0.11 0.00 -0.05 0.00 0.00 57.45 58.03 2dk6 n PHE 34 Cb 0.49 -2.28 -0.06 0.00 -0.94 0.00 0.00 39.48 36.69 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 0.95 -0.02 -1.08 -0.21 -1.25 -3.55 119.66 115.50 2dk6 s GLN 35 Ca 0.90 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 55.37 2dk6 s GLN 35 Cb -1.09 0.42 -0.05 0.00 1.00 0.00 0.00 33.01 33.28 2dk6 s GLN 35 CO 0.55 -0.34 1.46 -1.25 -2.12 0.00 0.00 175.29 173.59 2dk6 s PRO 36 N -3.20 4.25 0.00 2.91 0.04 -1.26 -4.60 135.00 133.13 2dk6 s PRO 36 Ca -0.01 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dk6 s PRO 36 Cb 0.01 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2dk6 s PRO 36 CO -0.08 -0.65 0.69 -3.47 0.04 0.00 0.00 177.00 173.53 2dk6 n ASP 37 N 5.83 0.00 -3.73 6.66 2.03 -1.26 -4.67 116.55 121.41 2dk6 n ASP 37 Ca 0.14 0.80 -0.12 0.00 0.52 0.00 0.00 54.79 56.13 2dk6 n ASP 37 Cb 0.43 -0.44 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2dk6 n ASP 37 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2dk6 n THR 38 N -1.81 0.00 -0.08 5.18 5.66 -1.26 -4.90 114.28 117.07 2dk6 n THR 38 Ca 0.00 -1.18 -0.11 0.00 -3.05 0.00 0.00 64.05 59.71 2dk6 n THR 38 Cb 0.00 -0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 68.11 2dk6 n THR 38 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2dk6 n ASN 39 N -2.46 1.83 0.00 1.09 3.02 -1.26 -3.01 115.26 114.46 2dk6 n ASN 39 Ca 0.08 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2dk6 n ASN 39 Cb 0.36 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2dk6 n ASN 39 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2dk6 n SER 40 N -4.54 0.00 -1.77 6.41 2.88 -1.26 -2.98 113.62 112.36 2dk6 n SER 40 Ca -0.17 0.75 -0.15 0.00 -1.33 0.00 0.00 58.87 57.96 2dk6 n SER 40 Cb 0.43 -0.25 0.07 0.00 -0.75 0.00 0.00 64.21 63.72 2dk6 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dk6 n GLN 41 N -1.41 1.76 -0.96 -1.46 1.13 -1.26 -4.99 117.38 110.19 2dk6 n GLN 41 Ca 0.00 -1.67 -0.35 0.00 -1.94 0.00 0.00 57.00 53.04 2dk6 n GLN 41 Cb 0.00 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 28.66 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dk6 n SER 43 N 1.16 -2.44 -4.78 0.00 3.41 -1.26 -4.80 113.62 104.90 2dk6 n SER 43 Ca 0.13 -0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 57.81 2dk6 n SER 43 Cb 0.11 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 2dk6 n SER 43 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dk6 s VAL 44 N -1.62 4.45 -0.03 -3.33 0.11 -1.26 -4.46 120.40 114.26 2dk6 s VAL 44 Ca 0.30 1.63 -0.06 0.00 -2.93 0.00 0.00 61.98 60.92 2dk6 s VAL 44 Cb -0.04 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 2dk6 s VAL 44 CO 0.24 0.51 0.21 -0.44 -3.33 0.00 0.00 175.10 172.30 2dk6 s SER 45 N -1.04 6.44 0.27 3.54 0.01 -1.26 -3.94 113.70 117.72 2dk6 s SER 45 Ca 0.35 0.48 0.20 0.00 1.31 0.00 0.00 55.95 58.29 2dk6 s SER 45 Cb -0.22 -2.06 0.90 0.00 0.21 0.00 0.00 66.02 64.85 2dk6 s SER 45 CO 0.25 0.30 0.94 -1.54 0.41 0.00 0.00 173.24 173.60 2dk6 n SER 46 N 1.29 0.13 -0.10 2.44 3.41 -1.23 0.49 113.62 120.04 2dk6 n SER 46 Ca -0.13 0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 59.18 2dk6 n SER 46 Cb 0.53 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.42 0.05 4.33 4.81 -1.92 -0.75 114.58 120.68 2dk6 h GLU 47 Ca 0.53 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2dk6 h GLU 47 Cb 1.73 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.20 2dk6 h GLU 47 CO -0.28 -0.28 -0.03 0.22 -0.73 0.00 0.00 179.01 177.91 2dk6 h ASP 48 N -0.43 -0.07 -0.86 1.04 1.82 -0.35 -1.18 116.42 116.39 2dk6 h ASP 48 Ca 0.08 0.00 0.31 0.00 -0.39 0.00 0.00 57.03 57.03 2dk6 h ASP 48 Cb 0.62 0.02 -0.10 0.00 0.68 0.00 0.00 39.33 40.55 2dk6 h ASP 48 CO -0.55 -0.05 0.54 -0.38 -1.61 0.00 0.00 179.24 177.18 2dk6 n ILE 49 N -2.29 -0.19 0.07 2.25 -0.00 -1.17 -0.01 119.36 118.03 2dk6 n ILE 49 Ca -0.01 1.22 -0.04 0.00 -0.00 0.00 0.00 62.75 63.93 2dk6 n ILE 49 Cb 0.03 -2.00 -0.02 0.00 -0.00 0.00 0.00 39.64 37.65 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 -0.23 -0.67 0.38 4.57 -0.80 -2.41 114.58 115.43 2dk6 h GLU 50 Ca 0.58 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.92 2dk6 h GLU 50 Cb 1.79 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 30.33 2dk6 h GLU 50 CO -0.35 -0.15 0.05 1.57 -1.18 0.00 0.00 179.01 178.94 2dk6 h LYS 51 N -0.64 0.15 -0.17 1.92 2.10 0.82 0.52 116.57 121.27 2dk6 h LYS 51 Ca -0.02 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2dk6 h LYS 51 Cb 0.18 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 2dk6 h LYS 51 CO 0.04 0.10 0.04 1.03 -2.00 0.00 0.00 179.45 178.66 2dk6 h SER 52 N 0.15 0.02 -0.66 7.07 0.87 -0.69 -2.51 113.55 117.80 2dk6 h SER 52 Ca 0.36 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.98 2dk6 h SER 52 Cb 0.60 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 2dk6 h SER 52 CO -0.55 0.04 0.40 0.15 -0.53 0.00 0.00 176.83 176.34 2dk6 h PHE 53 N 0.11 0.75 0.05 2.24 3.04 -0.63 0.41 116.94 122.91 2dk6 h PHE 53 Ca 0.08 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.06 2dk6 h PHE 53 Cb 0.06 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 2dk6 h PHE 53 CO -0.13 0.42 -0.39 0.87 -2.02 0.00 0.00 178.31 177.06 2dk6 h LYS 54 N 0.78 -0.51 -0.37 1.11 1.57 -0.54 0.46 116.57 119.08 2dk6 h LYS 54 Ca 0.27 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2dk6 h LYS 54 Cb 0.05 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2dk6 h LYS 54 CO -0.12 -0.34 -0.13 0.00 -0.57 0.00 0.00 179.45 178.29 2dk6 h THR 55 N -0.53 1.25 -2.91 -0.16 1.03 -1.37 -3.34 112.91 106.89 2dk6 h THR 55 Ca 0.00 -1.14 -0.61 0.00 -0.01 0.00 0.00 66.41 64.65 2dk6 h THR 55 Cb 0.55 1.11 -0.41 0.00 -1.07 0.00 0.00 68.15 68.33 2dk6 h THR 55 CO -0.23 0.38 -0.67 0.59 -0.01 0.00 0.00 175.52 175.58 2dk6 n ASN 56 N -4.17 2.23 0.27 0.00 4.13 0.14 -4.92 115.26 112.94 2dk6 n ASN 56 Ca 0.01 -3.02 0.15 0.00 1.68 0.00 0.00 54.58 53.40 2dk6 n ASN 56 Cb 0.36 -0.71 0.65 0.00 -1.54 0.00 0.00 39.78 38.54 2dk6 n ASN 56 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2dk6 h PRO 57 N 5.42 0.00 -0.26 3.52 0.13 -0.22 -3.04 132.00 137.55 2dk6 h PRO 57 Ca 0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2dk6 h PRO 57 Cb 0.79 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.73 2dk6 h PRO 57 CO 0.64 0.07 -0.67 0.00 -0.23 0.00 0.00 178.00 177.81 2dk6 n GLY 59 N -0.85 3.48 3.64 0.00 0.00 -1.15 -4.52 105.19 105.80 2dk6 n GLY 59 Ca 0.26 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 0.14 -0.52 -0.45 1.61 1.04 -1.26 -2.34 113.70 111.91 2dk6 s SER 60 Ca 0.00 0.86 -0.14 0.00 0.48 0.00 0.00 55.95 57.15 2dk6 s SER 60 Cb 0.00 1.17 0.07 0.00 0.10 0.00 0.00 66.02 67.36 2dk6 s SER 60 CO 0.00 -0.14 0.35 -0.51 0.98 0.00 0.00 173.24 173.92 2dk6 s ILE 61 N 1.22 4.94 -0.20 -1.02 2.07 -0.38 -4.95 121.20 122.88 2dk6 s ILE 61 Ca -0.08 -1.13 -0.15 0.00 -1.41 0.00 0.00 60.65 57.89 2dk6 s ILE 61 Cb -0.04 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 2dk6 s ILE 61 CO -0.14 -0.54 0.34 -0.94 -1.91 0.00 0.00 174.94 171.76 2dk6 s SER 62 N 2.39 6.38 0.33 4.50 1.04 -1.26 -2.02 113.70 125.07 2dk6 s SER 62 Ca 0.04 0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.98 2dk6 s SER 62 Cb -0.24 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2dk6 s SER 62 CO 0.06 -0.03 0.26 0.72 0.98 0.00 0.00 173.24 175.23 2dk6 s PHE 63 N 1.16 1.74 0.11 5.02 -0.71 -0.52 -5.03 117.98 119.75 2dk6 s PHE 63 Ca 0.17 -1.63 -0.05 0.00 -1.04 0.00 0.00 56.93 54.37 2dk6 s PHE 63 Cb -0.14 -0.74 -0.02 0.00 -1.21 0.00 0.00 43.02 40.90 2dk6 s PHE 63 CO 0.07 -0.83 0.13 0.95 -1.34 0.00 0.00 175.22 174.20 2dk6 s THR 64 N -3.45 0.13 0.18 -4.49 -4.23 -1.26 -1.92 115.64 100.60 2dk6 s THR 64 Ca 0.40 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 2dk6 s THR 64 Cb 0.02 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 2dk6 s THR 64 CO 0.26 -0.57 0.20 0.35 -0.54 0.00 0.00 174.62 174.32 2dk6 n THR 65 N -0.08 0.00 -1.14 3.99 -2.24 0.50 -4.66 114.28 110.64 2dk6 n THR 65 Ca -0.10 -1.18 -0.37 0.00 -2.27 0.00 0.00 64.05 60.13 2dk6 n THR 65 Cb 0.63 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 2dk6 n THR 65 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dk6 n SER 66 N -2.12 0.33 -4.18 3.42 7.64 -1.26 0.42 113.62 117.88 2dk6 n SER 66 Ca 0.03 0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.84 2dk6 n SER 66 Cb 0.32 -0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 62.71 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2dk6 n LYS 67 N 6.57 -0.87 -3.70 1.43 2.85 -1.26 -4.88 118.16 118.30 2dk6 n LYS 67 Ca 0.50 0.10 -0.10 0.00 -1.05 0.00 0.00 58.31 57.76 2dk6 n LYS 67 Cb 0.01 -3.60 -0.05 0.00 -0.65 0.00 0.00 35.03 30.74 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 -3.79 -0.09 0.08 5.58 0.08 0.17 -5.06 117.98 114.94 2dk6 s PHE 68 Ca 0.28 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 57.14 2dk6 s PHE 68 Cb -0.16 0.21 -0.03 0.00 -0.57 0.00 0.00 43.02 42.46 2dk6 s PHE 68 CO 0.91 -0.71 -0.16 0.45 -0.10 0.00 0.00 175.22 175.61 2dk6 s SER 69 N -2.83 1.94 -0.20 1.36 0.15 -1.26 -0.37 113.70 112.48 2dk6 s SER 69 Ca 0.05 -0.65 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 2dk6 s SER 69 Cb 0.02 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.32 2dk6 s SER 69 CO -0.10 -0.05 0.51 -0.31 1.20 0.00 0.00 173.24 174.49 2dk6 s TYR 70 N -1.32 -0.69 -0.06 3.44 2.02 -0.81 -2.97 117.35 116.96 2dk6 s TYR 70 Ca 0.01 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 2dk6 s TYR 70 Cb -0.10 0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.79 2dk6 s TYR 70 CO 0.03 -0.36 -0.15 0.21 -1.57 0.00 0.00 175.55 173.71 2dk6 s LYS 71 N 1.07 1.88 -0.36 -0.62 2.20 0.10 -1.44 119.74 122.57 2dk6 s LYS 71 Ca -0.06 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 2dk6 s LYS 71 Cb -0.06 -1.54 0.10 0.00 -1.51 0.00 0.00 37.83 34.82 2dk6 s LYS 71 CO -0.10 0.09 0.08 0.42 -0.36 0.00 0.00 175.35 175.49 2dk6 s ILE 72 N 0.49 2.21 -0.48 5.43 1.01 -0.85 0.24 121.20 129.24 2dk6 s ILE 72 Ca -0.13 -2.42 -0.25 0.00 0.00 0.00 0.00 60.65 57.86 2dk6 s ILE 72 Cb -0.15 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.72 2dk6 s ILE 72 CO 0.04 -0.64 0.90 -1.81 0.00 0.00 0.00 174.94 173.43 2dk6 s ASP 73 N 0.78 6.45 0.16 3.58 1.01 -1.05 -1.24 116.67 126.36 2dk6 s ASP 73 Ca 0.12 -0.01 -0.15 0.00 0.71 0.00 0.00 52.55 53.21 2dk6 s ASP 73 Cb -0.20 -2.43 0.04 0.00 1.01 0.00 0.00 42.92 41.33 2dk6 s ASP 73 CO -0.08 -1.06 1.80 -0.26 0.21 0.00 0.00 175.17 175.78 2dk6 h PHE 74 N 9.10 0.62 -0.67 4.23 0.04 -1.74 -1.30 116.94 127.23 2dk6 h PHE 74 Ca -0.25 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.67 2dk6 h PHE 74 Cb 1.08 -0.20 -0.11 0.00 2.20 0.00 0.00 35.95 38.91 2dk6 h PHE 74 CO 0.86 0.43 0.07 0.00 -0.60 0.00 0.00 178.31 179.07 2dk6 h ALA 75 N 1.14 0.75 -0.00 2.45 0.00 -1.65 0.65 119.26 122.59 2dk6 h ALA 75 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dk6 h ALA 75 Cb -0.02 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dk6 h ALA 75 CO -0.03 -0.37 -0.04 0.39 0.00 0.00 0.00 179.25 179.19 2dk6 n GLU 76 N -5.24 0.90 -4.01 0.00 1.02 -1.05 -4.93 120.64 107.34 2dk6 n GLU 76 Ca 0.11 -0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 56.71 2dk6 n GLU 76 Cb 0.40 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.84 -2.00 -3.46 3.49 2.81 0.23 -4.95 117.12 112.39 2dk6 n MET 77 Ca 0.18 0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 56.23 2dk6 n MET 77 Cb 0.23 -3.97 -0.03 0.00 -0.71 0.00 0.00 33.22 28.73 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 -6.77 1.20 -0.44 0.03 -2.85 -1.12 -3.76 119.74 106.03 2dk6 s LYS 78 Ca 0.15 -0.24 -0.18 0.00 -1.00 0.00 0.00 55.97 54.70 2dk6 s LYS 78 Cb -0.07 0.55 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 2dk6 s LYS 78 CO 0.92 -0.48 0.49 -1.14 0.10 0.00 0.00 175.35 175.24 2dk6 s GLN 79 N -2.91 3.11 -0.43 1.78 0.74 -0.25 -2.53 119.66 119.17 2dk6 s GLN 79 Ca -0.03 -0.80 -0.25 0.00 0.05 0.00 0.00 55.36 54.34 2dk6 s GLN 79 Cb -0.01 -4.01 0.02 0.00 1.10 0.00 0.00 33.01 30.12 2dk6 s GLN 79 CO -0.05 -0.95 0.87 1.41 -0.55 0.00 0.00 175.29 176.01 2dk6 s MET 80 N 2.25 3.59 0.31 1.67 -2.45 0.64 -2.78 119.30 122.53 2dk6 s MET 80 Ca 0.13 0.19 -0.21 0.00 -1.25 0.00 0.00 55.69 54.54 2dk6 s MET 80 Cb -0.18 -3.89 -0.09 0.00 1.25 0.00 0.00 34.83 31.92 2dk6 s MET 80 CO 0.13 -1.09 0.84 1.21 1.05 0.00 0.00 175.02 177.16 2dk6 s ASN 81 N 2.10 7.08 -0.06 1.11 2.47 -1.08 0.01 114.94 126.58 2dk6 s ASN 81 Ca 0.34 1.58 -0.02 0.00 0.42 0.00 0.00 52.86 55.19 2dk6 s ASN 81 Cb -0.11 -2.48 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 2dk6 s ASN 81 CO 0.23 -0.11 -0.06 0.18 -3.72 0.00 0.00 177.10 173.61 2dk6 n LEU 82 N 0.26 1.43 -0.23 3.21 7.99 -1.21 -3.39 117.00 125.05 2dk6 n LEU 82 Ca 0.02 0.03 0.04 0.00 -0.01 0.00 0.00 56.01 56.09 2dk6 n LEU 82 Cb 0.52 -0.18 0.15 0.00 -0.11 0.00 0.00 43.42 43.80 2dk6 n LEU 82 CO 0.42 0.31 0.88 0.00 -1.51 0.00 0.00 177.39 177.49 2dk6 h THR 83 N -0.13 0.47 0.00 -5.08 1.03 -1.91 -3.13 112.91 104.16 2dk6 h THR 83 Ca -0.14 -0.06 -0.05 0.00 -0.01 0.00 0.00 66.41 66.15 2dk6 h THR 83 Cb 1.15 0.27 -0.01 0.00 -1.07 0.00 0.00 68.15 68.49 2dk6 h THR 83 CO -0.06 0.03 -1.41 0.35 -0.01 0.00 0.00 175.52 174.42 2dk6 n THR 84 N -5.24 0.20 -1.03 0.00 -2.24 -1.26 -5.01 114.28 99.70 2dk6 n THR 84 Ca 0.12 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2dk6 n THR 84 Cb 0.43 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 2.26 0.48 3.83 3.38 0.00 -1.19 -5.05 105.19 108.89 2dk6 n GLY 85 Ca -0.06 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.09 1.00 -0.03 1.61 -0.14 -1.26 -4.80 119.74 114.02 2dk6 s LYS 86 Ca 0.00 0.05 0.07 0.00 -1.36 0.00 0.00 55.97 54.74 2dk6 s LYS 86 Cb 0.00 -1.84 -0.02 0.00 -1.68 0.00 0.00 37.83 34.29 2dk6 s LYS 86 CO 0.00 -2.25 -0.25 -0.65 -0.76 0.00 0.00 175.35 171.44 2dk6 s GLN 87 N -5.50 2.21 0.11 1.68 -1.52 -1.26 -2.64 119.66 112.74 2dk6 s GLN 87 Ca 0.66 -0.90 -0.06 0.00 -1.95 0.00 0.00 55.36 53.12 2dk6 s GLN 87 Cb -0.11 -2.03 -0.02 0.00 -0.22 0.00 0.00 33.01 30.63 2dk6 s GLN 87 CO 0.52 0.48 0.15 1.03 -0.25 0.00 0.00 175.29 177.23 2dk6 s ARG 88 N -0.44 0.91 0.33 2.91 0.52 -1.12 -5.03 118.95 117.04 2dk6 s ARG 88 Ca 0.05 -1.16 0.08 0.00 -0.52 0.00 0.00 55.73 54.17 2dk6 s ARG 88 Cb -0.11 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 2dk6 s ARG 88 CO 0.01 -0.28 0.26 -0.51 0.02 0.00 0.00 175.30 174.79 2dk6 s LEU 89 N -2.94 3.54 0.24 2.53 2.01 -1.26 -1.09 118.68 121.71 2dk6 s LEU 89 Ca 0.13 -0.54 0.01 0.00 0.01 0.00 0.00 54.13 53.74 2dk6 s LEU 89 Cb 0.06 -2.13 -0.04 0.00 0.01 0.00 0.00 46.19 44.09 2dk6 s LEU 89 CO -0.05 -0.33 0.15 0.27 1.01 0.00 0.00 176.35 177.41 2dk6 s ILE 90 N -2.32 0.10 -0.16 -0.59 -4.36 -1.25 -0.07 121.20 112.55 2dk6 s ILE 90 Ca 0.40 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.48 2dk6 s ILE 90 Cb -0.05 -2.52 0.14 0.00 1.25 0.00 0.00 42.46 41.28 2dk6 s ILE 90 CO 0.26 0.00 1.09 -1.59 0.24 0.00 0.00 174.94 174.94 2dk6 s LYS 91 N -3.99 0.47 -0.11 0.37 -2.85 -1.00 -4.87 119.74 107.76 2dk6 s LYS 91 Ca 0.39 -0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.37 2dk6 s LYS 91 Cb 0.06 0.22 -0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2dk6 s LYS 91 CO 0.15 -0.18 -0.22 0.50 0.10 0.00 0.00 175.35 175.71 2dk6 s ARG 92 N -1.78 3.10 0.09 1.78 3.52 -1.26 -1.83 118.95 122.58 2dk6 s ARG 92 Ca 0.04 -0.85 -0.16 0.00 -0.13 0.00 0.00 55.73 54.63 2dk6 s ARG 92 Cb -0.01 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 31.06 2dk6 s ARG 92 CO -0.03 0.18 0.39 0.00 -0.81 0.00 0.00 175.30 175.02 2dk6 s ALA 93 N 0.37 -0.91 0.38 6.12 0.00 -1.08 -5.04 121.76 121.59 2dk6 s ALA 93 Ca -0.17 0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 2dk6 s ALA 93 Cb -0.18 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 2dk6 s ALA 93 CO 0.08 -0.57 1.20 -1.25 0.00 0.00 0.00 175.76 175.22 2dk6 s PRO 94 N -3.33 4.13 -0.08 0.00 0.04 -1.26 -1.15 135.00 133.34 2dk6 s PRO 94 Ca 0.00 1.92 0.03 0.00 0.04 0.00 0.00 61.00 62.99 2dk6 s PRO 94 Cb 0.01 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2dk6 s PRO 94 CO -0.09 -0.28 -0.17 -0.59 0.04 0.00 0.00 177.00 175.92 2dk6 s PHE 95 N -1.34 1.93 0.22 0.56 -0.12 0.77 -4.75 117.98 115.24 2dk6 s PHE 95 Ca 0.55 -0.77 -0.10 0.00 -0.05 0.00 0.00 56.93 56.56 2dk6 s PHE 95 Cb -0.33 -1.35 -0.01 0.00 -0.63 0.00 0.00 43.02 40.70 2dk6 s PHE 95 CO 0.42 -0.35 0.38 -1.12 -0.05 0.00 0.00 175.22 174.49 2dk6 s SER 96 N 0.58 -0.03 -0.16 1.98 0.01 -1.26 -3.91 113.70 110.91 2dk6 s SER 96 Ca -0.15 -0.98 -0.05 0.00 1.31 0.00 0.00 55.95 56.08 2dk6 s SER 96 Cb -0.17 0.52 -0.08 0.00 0.21 0.00 0.00 66.02 66.50 2dk6 s SER 96 CO 0.05 -1.03 -0.19 -0.24 0.41 0.00 0.00 173.24 172.24 2dk6 n SER 97 N -0.33 1.67 0.00 2.44 2.88 -1.26 -5.11 113.62 113.92 2dk6 n SER 97 Ca -0.02 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2dk6 n SER 97 Cb 0.63 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2dk6 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk6 n GLY 98 N 2.23 2.24 0.00 0.46 0.00 -1.26 -4.99 105.19 103.87 2dk6 n GLY 98 Ca -0.30 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2dk6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk6 n PRO 99 N -0.44 0.05 -4.54 1.61 -0.04 -1.26 -4.75 135.00 125.62 2dk6 n PRO 99 Ca 0.00 0.23 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 2dk6 n PRO 99 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2dk6 n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dk6 s SER 100 N -2.90 3.85 -0.63 3.54 0.01 -1.26 -4.77 113.70 111.53 2dk6 s SER 100 Ca 0.08 -1.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.06 2dk6 s SER 100 Cb 0.09 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2dk6 s SER 100 CO 0.25 -0.32 0.55 -0.24 0.41 0.00 0.00 173.24 173.89 2dk6 n SER 101 N -0.89 -3.93 0.00 2.44 2.88 -1.26 -5.09 113.62 107.76 2dk6 n SER 101 Ca -0.05 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 2dk6 n SER 101 Cb 0.65 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.49 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42