#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjb s SER 12 N 0.00 4.63 0.49 4.39 0.15 -1.26 -5.01 113.70 117.09 2qjb s SER 12 Ca 0.00 -0.03 -0.18 0.00 0.70 0.00 0.00 55.95 56.44 2qjb s SER 12 Cb 0.00 -1.16 -0.09 0.00 -1.71 0.00 0.00 66.02 63.07 2qjb s SER 12 CO 0.00 0.36 0.98 -0.44 1.20 0.00 0.00 173.24 175.34 2qjb s SER 13 N -0.82 6.71 -0.41 5.45 0.01 -1.26 -0.59 113.70 122.78 2qjb s SER 13 Ca 0.12 1.60 -0.44 0.00 1.31 0.00 0.00 55.95 58.55 2qjb s SER 13 Cb -0.11 -2.52 -0.18 0.00 0.21 0.00 0.00 66.02 63.42 2qjb s SER 13 CO 0.01 -0.53 1.70 0.00 0.41 0.00 0.00 173.24 174.84 2qjb s LYS 15 N 3.47 1.86 0.20 0.00 -2.85 0.21 -4.91 119.74 117.73 2qjb s LYS 15 Ca 1.03 -1.21 -0.25 0.00 -1.00 0.00 0.00 55.97 54.54 2qjb s LYS 15 Cb -1.32 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 34.94 2qjb s LYS 15 CO 0.74 -0.84 0.82 0.50 0.10 0.00 0.00 175.35 176.67 2qjb s ARG 16 N -3.47 4.58 0.16 1.78 3.52 -1.26 -1.75 118.95 122.51 2qjb s ARG 16 Ca 0.16 1.20 0.09 0.00 -0.13 0.00 0.00 55.73 57.05 2qjb s ARG 16 Cb -0.04 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2qjb s ARG 16 CO 0.10 0.51 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.87 2qjb s HIS 17 N -1.26 1.96 0.46 5.12 3.76 0.16 -4.96 115.29 120.53 2qjb s HIS 17 Ca 0.39 -0.42 -0.22 0.00 -0.15 0.00 0.00 55.06 54.66 2qjb s HIS 17 Cb -0.22 -1.00 -0.08 0.00 1.11 0.00 0.00 32.58 32.38 2qjb s HIS 17 CO 0.26 0.35 1.06 -1.25 -0.85 0.00 0.00 174.74 174.31 2qjb s PRO 18 N -2.53 3.89 -0.25 8.40 0.04 -1.26 -1.83 135.00 141.45 2qjb s PRO 18 Ca 0.15 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 2qjb s PRO 18 Cb -0.07 -2.25 0.13 0.00 0.04 0.00 0.00 34.50 32.35 2qjb s PRO 18 CO 0.07 -0.37 0.49 -1.17 0.04 0.00 0.00 177.00 176.05 2qjb s LEU 19 N -3.20 -0.90 -0.06 -3.56 2.96 -1.26 -4.70 118.68 107.96 2qjb s LEU 19 Ca 0.64 0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 55.27 2qjb s LEU 19 Cb -0.19 1.64 -0.05 0.00 0.50 0.00 0.00 46.19 48.08 2qjb s LEU 19 CO 0.24 -0.26 0.35 -0.47 -1.32 0.00 0.00 176.35 174.89 2qjb s TYR 20 N 2.70 3.64 -0.35 5.38 5.04 -1.26 -1.19 117.35 131.31 2qjb s TYR 20 Ca 0.07 0.83 -0.06 0.00 -2.44 0.00 0.00 57.07 55.47 2qjb s TYR 20 Cb -0.14 -2.26 0.05 0.00 0.35 0.00 0.00 41.96 39.97 2qjb s TYR 20 CO -0.17 0.55 0.12 0.08 -1.34 0.00 0.00 175.55 174.79 2qjb s VAL 21 N -0.65 3.68 -0.25 3.14 1.01 -0.35 -4.94 120.40 122.04 2qjb s VAL 21 Ca 0.21 -1.29 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 2qjb s VAL 21 Cb -0.15 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 2qjb s VAL 21 CO 0.10 -0.26 0.86 -0.62 0.00 0.00 0.00 175.10 175.18 2qjb s ASP 22 N 1.52 6.85 0.65 3.32 -1.08 -1.26 -2.59 116.67 124.07 2qjb s ASP 22 Ca -0.01 1.03 0.43 0.00 -0.52 0.00 0.00 52.55 53.49 2qjb s ASP 22 Cb -0.20 -2.45 2.29 0.00 -1.46 0.00 0.00 42.92 41.10 2qjb s ASP 22 CO 0.02 -0.56 2.33 -0.26 0.52 0.00 0.00 175.17 177.21 2qjb h PHE 23 N 7.72 0.00 -0.09 -5.34 0.04 -0.70 -1.85 116.94 116.71 2qjb h PHE 23 Ca -0.23 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.44 2qjb h PHE 23 Cb 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2qjb h PHE 23 CO 0.76 0.00 -0.35 0.77 -0.60 0.00 0.00 178.31 178.89 2qjb h SER 24 N 0.00 0.46 -0.75 2.17 0.02 -1.91 0.11 113.55 113.65 2qjb h SER 24 Ca -0.00 -0.63 0.06 0.00 -0.84 0.00 0.00 61.79 60.38 2qjb h SER 24 Cb 0.07 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 2qjb h SER 24 CO 0.00 1.01 0.49 0.44 -1.14 0.00 0.00 176.83 177.64 2qjb h ASP 25 N -0.06 0.71 0.56 3.07 3.32 -1.73 -2.03 116.42 120.26 2qjb h ASP 25 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qjb h ASP 25 Cb 0.99 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2qjb h ASP 25 CO 0.07 0.46 -0.91 0.55 -1.72 0.00 0.00 179.24 177.70 2qjb n VAL 26 N -4.48 0.22 -0.38 -1.35 3.14 -1.11 -4.98 118.33 109.40 2qjb n VAL 26 Ca 0.11 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2qjb n VAL 26 Cb 0.21 0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 2qjb n VAL 26 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qjb n GLY 27 N 1.36 1.37 0.60 7.55 0.00 -0.19 -4.98 105.19 110.90 2qjb n GLY 27 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.98 2qjb n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qjb n TRP 28 N -0.98 0.57 0.00 1.61 8.01 0.19 -4.66 117.44 122.19 2qjb n TRP 28 Ca 0.00 -0.79 0.00 0.00 -1.31 0.00 0.00 57.50 55.40 2qjb n TRP 28 Cb 0.08 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.19 2qjb n TRP 28 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2qjb n ASN 29 N -0.47 0.00 0.00 -0.99 5.15 -1.23 -1.49 115.26 116.23 2qjb n ASN 29 Ca 0.16 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 2qjb n ASN 29 Cb 0.69 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 2qjb n ASN 29 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qjb n ASP 30 N -1.41 1.34 -0.00 1.20 3.85 -1.26 -4.56 116.55 115.70 2qjb n ASP 30 Ca 0.00 -0.28 0.04 0.00 -0.71 0.00 0.00 54.79 53.84 2qjb n ASP 30 Cb 0.01 0.82 -0.06 0.00 -1.35 0.00 0.00 41.12 40.55 2qjb n ASP 30 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.20 173.52 2qjb n TRP 31 N -0.96 0.00 -4.43 2.11 4.27 -1.10 -4.85 117.44 112.48 2qjb n TRP 31 Ca 0.00 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.27 2qjb n TRP 31 Cb 0.00 -0.09 -0.13 0.00 -1.36 0.00 0.00 31.31 29.73 2qjb n TRP 31 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2qjb s ILE 32 N -2.18 3.49 -0.08 -1.67 1.01 -0.56 -0.85 121.20 120.37 2qjb s ILE 32 Ca 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2qjb s ILE 32 Cb 0.06 -2.52 -0.15 0.00 0.01 0.00 0.00 42.46 39.86 2qjb s ILE 32 CO 0.36 0.49 0.11 1.33 0.00 0.00 0.00 174.94 177.23 2qjb n VAL 33 N 3.81 0.50 -3.64 2.92 0.24 0.25 -4.60 118.33 117.81 2qjb n VAL 33 Ca -0.18 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.63 2qjb n VAL 33 Cb 0.52 -0.41 -0.07 0.00 -1.47 0.00 0.00 33.84 32.42 2qjb n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qjb s ALA 34 N -2.44 -1.85 1.04 2.33 0.00 -0.60 -4.75 121.76 115.49 2qjb s ALA 34 Ca -0.05 2.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.94 2qjb s ALA 34 Cb 0.05 -1.32 0.24 0.00 0.00 0.00 0.00 23.12 22.09 2qjb s ALA 34 CO 0.45 -0.35 1.30 -0.35 0.00 0.00 0.00 175.76 176.81 2qjb n PRO 35 N 3.42 -1.60 0.12 0.00 -0.04 -1.26 0.66 135.00 136.29 2qjb n PRO 35 Ca -0.17 -2.01 0.12 0.00 -0.04 0.00 0.00 63.50 61.40 2qjb n PRO 35 Cb 0.57 -1.42 0.16 0.00 -0.04 0.00 0.00 33.50 32.77 2qjb n PRO 35 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2qjb h PRO 36 N 0.00 0.00 0.00 0.54 0.14 -1.95 -3.47 132.00 127.26 2qjb h PRO 36 Ca -0.43 0.00 0.19 0.00 0.14 0.00 0.00 66.00 65.90 2qjb h PRO 36 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.30 2qjb h PRO 36 CO 0.30 0.00 0.61 0.41 0.14 0.00 0.00 178.00 179.46 2qjb n GLY 37 N 1.23 0.56 3.54 1.56 0.00 -1.26 0.10 105.19 110.91 2qjb n GLY 37 Ca 0.03 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 2qjb n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qjb s TYR 38 N -2.32 -0.45 -0.41 1.61 1.13 -1.07 -4.97 117.35 110.86 2qjb s TYR 38 Ca 0.23 0.66 -0.29 0.00 -1.41 0.00 0.00 57.07 56.26 2qjb s TYR 38 Cb -0.02 0.46 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 2qjb s TYR 38 CO 0.04 -0.49 1.17 -1.01 -2.51 0.00 0.00 175.55 172.75 2qjb s HIS 39 N -1.73 2.84 -0.08 -3.49 3.76 -1.26 -1.22 115.29 114.11 2qjb s HIS 39 Ca -0.03 0.85 0.18 0.00 -0.15 0.00 0.00 55.06 55.91 2qjb s HIS 39 Cb -0.00 -4.19 -0.27 0.00 1.11 0.00 0.00 32.58 29.23 2qjb s HIS 39 CO 0.01 -1.27 0.28 0.00 -0.85 0.00 0.00 174.74 172.90 2qjb n ALA 40 N 7.69 2.27 -1.42 -1.40 0.00 -0.33 -4.83 120.51 122.49 2qjb n ALA 40 Ca 0.13 -0.73 0.18 0.00 0.00 0.00 0.00 53.44 53.02 2qjb n ALA 40 Cb 0.48 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 2qjb n ALA 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qjb n PHE 41 N -2.35 -3.68 -3.83 0.00 3.01 -0.72 -2.64 117.46 107.24 2qjb n PHE 41 Ca -0.13 1.93 -0.06 0.00 1.01 0.00 0.00 57.45 60.19 2qjb n PHE 41 Cb 0.72 -3.35 -0.01 0.00 -0.01 0.00 0.00 39.48 36.83 2qjb n PHE 41 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2qjb s TYR 42 N -3.17 -0.13 -0.10 1.38 -0.85 -0.76 -4.71 117.35 109.01 2qjb s TYR 42 Ca 0.00 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 2qjb s TYR 42 Cb 0.00 0.71 -0.02 0.00 0.38 0.00 0.00 41.96 43.04 2qjb s TYR 42 CO 0.00 -1.18 -0.16 0.00 -1.52 0.00 0.00 175.55 172.69 2qjb s HIS 44 N 0.00 -0.63 0.00 0.00 5.04 -0.72 -4.74 115.29 114.25 2qjb s HIS 44 Ca -0.05 1.03 0.00 0.00 -1.54 0.00 0.00 55.06 54.51 2qjb s HIS 44 Cb -0.14 0.42 0.00 0.00 0.04 0.00 0.00 32.58 32.90 2qjb s HIS 44 CO 0.04 -0.60 0.00 0.41 -2.34 0.00 0.00 174.74 172.25 2qjb n GLY 45 N 0.81 3.28 3.75 1.59 0.00 -1.26 -0.62 105.19 112.74 2qjb n GLY 45 Ca -0.18 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 2qjb n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qjb s GLU 46 N -2.17 2.97 -0.66 1.61 0.41 0.24 -3.84 118.70 117.26 2qjb s GLU 46 Ca 0.00 1.96 -0.01 0.00 -0.41 0.00 0.00 54.97 56.50 2qjb s GLU 46 Cb 0.00 -2.01 0.17 0.00 -1.78 0.00 0.00 34.13 30.51 2qjb s GLU 46 CO 0.00 -1.24 0.48 0.00 -0.49 0.00 0.00 175.26 174.00 2qjb s PRO 48 N -0.40 0.72 -0.15 0.00 0.04 -1.26 -4.62 135.00 129.34 2qjb s PRO 48 Ca 0.19 -0.60 -0.09 0.00 0.04 0.00 0.00 61.00 60.54 2qjb s PRO 48 Cb -0.18 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2qjb s PRO 48 CO -0.05 -2.30 0.16 0.12 0.04 0.00 0.00 177.00 174.97 2qjb s PHE 49 N -3.77 3.52 0.62 0.56 2.19 -1.26 -3.39 117.98 116.45 2qjb s PHE 49 Ca 0.74 0.47 -0.10 0.00 0.33 0.00 0.00 56.93 58.37 2qjb s PHE 49 Cb -0.03 -2.07 -0.03 0.00 -1.31 0.00 0.00 43.02 39.58 2qjb s PHE 49 CO 0.52 0.52 1.01 -1.25 1.83 0.00 0.00 175.22 177.84 2qjb s PRO 50 N -0.37 3.43 -0.50 10.12 0.04 -1.26 -5.09 135.00 141.38 2qjb s PRO 50 Ca 0.13 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 2qjb s PRO 50 Cb -0.12 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2qjb s PRO 50 CO 0.02 -0.62 0.95 -0.51 0.04 0.00 0.00 177.00 176.88 2qjb s LEU 51 N -5.15 4.00 1.13 -3.56 1.43 -1.22 -5.03 118.68 110.28 2qjb s LEU 51 Ca 0.55 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 2qjb s LEU 51 Cb -0.11 -3.06 0.26 0.00 0.03 0.00 0.00 46.19 43.32 2qjb s LEU 51 CO 0.52 -1.15 1.04 0.00 0.23 0.00 0.00 176.35 177.00 2qjb s ALA 52 N 3.92 -0.16 0.25 4.21 0.00 -1.26 -4.90 121.76 123.82 2qjb s ALA 52 Ca 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2qjb s ALA 52 Cb -0.11 -3.20 0.45 0.00 0.00 0.00 0.00 23.12 20.27 2qjb s ALA 52 CO 0.24 -3.62 1.75 0.22 0.00 0.00 0.00 175.76 174.35 2qjb h ASP 53 N -2.46 0.42 0.00 0.00 1.82 -2.02 -2.81 116.42 111.36 2qjb h ASP 53 Ca -0.60 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2qjb h ASP 53 Cb 1.34 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2qjb h ASP 53 CO 0.53 0.19 0.00 0.00 -1.61 0.00 0.00 179.24 178.34 2qjb n HIS 54 N -4.92 0.00 0.40 0.28 1.44 -1.26 -2.22 115.22 108.94 2qjb n HIS 54 Ca 0.14 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.96 2qjb n HIS 54 Cb 0.39 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.76 2qjb n HIS 54 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2qjb n LEU 55 N -0.91 2.95 -4.29 2.39 4.77 -1.06 -4.85 117.00 116.00 2qjb n LEU 55 Ca 0.17 -1.38 -0.32 0.00 -0.03 0.00 0.00 56.01 54.46 2qjb n LEU 55 Cb 0.08 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2qjb n LEU 55 CO 0.13 0.69 -0.45 0.59 -1.33 0.00 0.00 177.39 177.02 2qjb n ASN 56 N 1.13 0.59 -4.84 -1.43 4.13 -0.94 -1.50 115.26 112.40 2qjb n ASN 56 Ca 0.19 -1.27 -0.32 0.00 1.68 0.00 0.00 54.58 54.86 2qjb n ASN 56 Cb 0.49 -1.67 -0.06 0.00 -1.54 0.00 0.00 39.78 37.01 2qjb n ASN 56 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2qjb s SER 57 N -4.34 6.78 0.65 6.41 0.01 -1.26 -4.60 113.70 117.36 2qjb s SER 57 Ca 0.03 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.61 2qjb s SER 57 Cb -0.02 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2qjb s SER 57 CO 0.99 -0.31 1.01 0.42 0.41 0.00 0.00 173.24 175.77 2qjb s THR 58 N -2.15 3.80 0.18 1.44 -4.23 -1.26 -4.94 115.64 108.48 2qjb s THR 58 Ca 0.57 0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 61.32 2qjb s THR 58 Cb -0.10 -3.55 0.10 0.00 1.34 0.00 0.00 72.50 70.29 2qjb s THR 58 CO 0.19 -0.67 1.70 0.78 -0.54 0.00 0.00 174.62 176.07 2qjb h ASN 59 N -0.42 -0.15 -0.25 3.99 2.35 -1.98 -1.81 115.58 117.32 2qjb h ASN 59 Ca -0.45 0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.46 2qjb h ASN 59 Cb 1.24 0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.71 2qjb h ASN 59 CO 0.63 -0.04 -0.41 -0.74 -1.65 0.00 0.00 177.43 175.21 2qjb h HIS 60 N 0.14 -1.19 -0.54 1.19 2.76 -1.99 0.25 115.15 115.76 2qjb h HIS 60 Ca 0.23 0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 2qjb h HIS 60 Cb 0.33 0.56 -0.03 0.00 1.55 0.00 0.00 27.41 29.82 2qjb h HIS 60 CO -0.28 -0.45 0.36 0.00 -1.30 0.00 0.00 177.93 176.26 2qjb h ALA 61 N 0.28 1.79 -0.25 5.26 0.00 -1.70 0.28 119.26 124.92 2qjb h ALA 61 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2qjb h ALA 61 Cb 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qjb h ALA 61 CO -0.47 0.14 -0.38 0.82 0.00 0.00 0.00 179.25 179.36 2qjb h ILE 62 N 0.57 1.31 -0.58 0.00 2.04 -0.56 -0.64 117.51 119.65 2qjb h ILE 62 Ca 0.22 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 2qjb h ILE 62 Cb 0.17 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2qjb h ILE 62 CO -0.06 0.50 0.18 0.58 0.00 0.00 0.00 178.15 179.36 2qjb h VAL 63 N 0.43 1.24 -0.32 1.67 2.07 0.11 -2.27 116.25 119.18 2qjb h VAL 63 Ca 0.02 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2qjb h VAL 63 Cb 0.97 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2qjb h VAL 63 CO 0.09 0.31 0.14 -0.61 0.02 0.00 0.00 177.57 177.52 2qjb h GLN 64 N 0.82 0.44 -0.11 1.57 4.15 -0.27 0.26 115.11 121.97 2qjb h GLN 64 Ca 0.19 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.39 2qjb h GLN 64 Cb 0.28 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2qjb h GLN 64 CO -0.01 0.36 -0.65 1.15 -1.93 0.00 0.00 178.83 177.75 2qjb h THR 65 N 0.45 1.36 -0.35 2.39 2.02 -0.85 0.36 112.91 118.28 2qjb h THR 65 Ca 0.11 -1.99 -0.15 0.00 0.77 0.00 0.00 66.41 65.15 2qjb h THR 65 Cb 0.07 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2qjb h THR 65 CO -0.01 0.60 -0.37 -0.07 0.37 0.00 0.00 175.52 176.04 2qjb h LEU 66 N 0.32 0.89 -0.17 2.58 3.38 -0.67 -2.47 115.31 119.16 2qjb h LEU 66 Ca -0.01 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 2qjb h LEU 66 Cb 1.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2qjb h LEU 66 CO 0.11 1.16 -0.17 0.58 0.09 0.00 0.00 178.44 180.21 2qjb h VAL 67 N 0.69 1.34 -0.91 1.22 2.07 -0.86 -2.87 116.25 116.93 2qjb h VAL 67 Ca 0.06 -1.34 0.19 0.00 0.82 0.00 0.00 66.70 66.43 2qjb h VAL 67 Cb 0.94 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 2qjb h VAL 67 CO 0.09 0.40 0.59 -1.13 0.02 0.00 0.00 177.57 177.54 2qjb h ASN 68 N 0.06 0.51 0.97 0.57 -0.73 -0.84 0.74 115.58 116.86 2qjb h ASN 68 Ca 0.03 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.25 2qjb h ASN 68 Cb 0.71 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.26 2qjb h ASN 68 CO 0.04 0.21 0.00 0.77 -0.37 0.00 0.00 177.43 178.08 2qjb h SER 69 N 0.51 0.00 0.00 1.15 4.64 -1.21 -2.95 113.55 115.70 2qjb h SER 69 Ca 0.48 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.61 2qjb h SER 69 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 2qjb h SER 69 CO -0.21 0.00 -1.80 0.52 -0.87 0.00 0.00 176.83 174.47 2qjb n VAL 70 N -2.40 0.72 -3.82 0.95 0.31 -0.14 -4.85 118.33 109.09 2qjb n VAL 70 Ca 0.03 -0.49 -0.30 0.00 -0.01 0.00 0.00 64.34 63.57 2qjb n VAL 70 Cb 0.29 -0.56 -0.15 0.00 -0.91 0.00 0.00 33.84 32.51 2qjb n VAL 70 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2qjb s ASN 71 N -4.36 4.19 0.63 4.52 2.47 0.24 -4.98 114.94 117.65 2qjb s ASN 71 Ca -0.06 -1.73 0.33 0.00 0.42 0.00 0.00 52.86 51.83 2qjb s ASN 71 Cb 0.04 -1.08 1.84 0.00 -1.45 0.00 0.00 41.25 40.61 2qjb s ASN 71 CO 0.50 -0.39 2.12 0.77 -3.72 0.00 0.00 177.10 176.38 2qjb h SER 72 N 7.96 0.00 0.60 -4.21 4.64 -1.80 -1.72 113.55 119.02 2qjb h SER 72 Ca -0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2qjb h SER 72 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2qjb h SER 72 CO 0.48 0.00 -0.04 0.11 -0.87 0.00 0.00 176.83 176.51 2qjb h LYS 73 N 0.00 0.00 -5.62 4.77 1.57 -1.94 -3.41 116.57 111.95 2qjb h LYS 73 Ca 0.05 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.23 2qjb h LYS 73 Cb 0.43 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.64 2qjb h LYS 73 CO -0.00 0.04 -0.02 0.42 -0.57 0.00 0.00 179.45 179.32 2qjb s ILE 74 N -3.91 5.10 0.83 1.86 -1.09 -0.64 -5.06 121.20 118.29 2qjb s ILE 74 Ca -0.01 1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 59.32 2qjb s ILE 74 Cb 0.11 -3.87 0.09 0.00 -1.58 0.00 0.00 42.46 37.21 2qjb s ILE 74 CO 0.52 0.19 1.10 -2.16 -1.23 0.00 0.00 174.94 173.36 2qjb s PRO 75 N 1.49 1.79 0.80 2.79 0.04 -1.26 -4.40 135.00 136.23 2qjb s PRO 75 Ca 0.26 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2qjb s PRO 75 Cb -0.16 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.61 2qjb s PRO 75 CO 0.10 -1.98 1.09 0.15 0.04 0.00 0.00 177.00 176.40 2qjb s LYS 76 N -4.85 2.09 0.77 4.56 1.02 -1.26 -4.70 119.74 117.36 2qjb s LYS 76 Ca 0.63 0.84 -0.14 0.00 0.02 0.00 0.00 55.97 57.32 2qjb s LYS 76 Cb -0.18 -1.90 0.06 0.00 -0.52 0.00 0.00 37.83 35.28 2qjb s LYS 76 CO 0.57 -1.67 1.18 0.00 -0.92 0.00 0.00 175.35 174.50 2qjb s ALA 77 N -3.03 2.02 -0.09 5.17 0.00 -1.26 -5.01 121.76 119.56 2qjb s ALA 77 Ca 0.61 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 53.31 2qjb s ALA 77 Cb -0.16 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2qjb s ALA 77 CO 0.55 -2.01 -0.06 0.00 0.00 0.00 0.00 175.76 174.25 2qjb s VAL 80 N 4.37 0.03 0.02 0.00 -7.23 -0.32 -4.39 120.40 112.87 2qjb s VAL 80 Ca 0.49 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 2qjb s VAL 80 Cb -0.09 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2qjb s VAL 80 CO 0.28 -0.12 1.21 -2.84 -0.31 0.00 0.00 175.10 173.33 2qjb s PRO 81 N -4.09 4.39 0.00 4.82 0.02 -1.26 -0.75 135.00 138.14 2qjb s PRO 81 Ca 0.30 1.75 0.15 0.00 0.02 0.00 0.00 61.00 63.22 2qjb s PRO 81 Cb 0.05 -3.44 -0.11 0.00 0.02 0.00 0.00 34.50 31.02 2qjb s PRO 81 CO 0.08 -0.35 0.68 0.25 -0.33 0.00 0.00 177.00 177.34 2qjb n THR 82 N 4.22 0.00 -3.71 0.99 -2.24 0.13 -4.84 114.28 108.83 2qjb n THR 82 Ca 0.10 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 2qjb n THR 82 Cb 0.46 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.61 2qjb n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qjb s GLU 83 N -2.19 0.12 0.18 -0.78 2.12 -0.81 -4.94 118.70 112.41 2qjb s GLU 83 Ca 0.08 0.53 0.09 0.00 0.36 0.00 0.00 54.97 56.03 2qjb s GLU 83 Cb 0.11 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 2qjb s GLU 83 CO 0.53 -0.22 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.33 2qjb s LEU 84 N 1.69 2.45 0.28 2.70 1.02 -1.26 0.24 118.68 125.80 2qjb s LEU 84 Ca -0.05 -0.88 0.02 0.00 0.02 0.00 0.00 54.13 53.25 2qjb s LEU 84 Cb -0.11 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.17 2qjb s LEU 84 CO -0.07 -0.01 0.14 -0.94 0.02 0.00 0.00 176.35 175.48 2qjb s SER 85 N -2.75 1.32 0.28 2.29 1.04 0.70 -4.80 113.70 111.79 2qjb s SER 85 Ca 0.18 -1.50 0.03 0.00 0.48 0.00 0.00 55.95 55.14 2qjb s SER 85 Cb -0.06 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2qjb s SER 85 CO 0.08 -0.84 0.43 0.00 0.98 0.00 0.00 173.24 173.88 2qjb s ALA 86 N -3.69 3.85 0.05 5.32 0.00 -1.26 -0.50 121.76 125.52 2qjb s ALA 86 Ca 0.37 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2qjb s ALA 86 Cb 0.06 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2qjb s ALA 86 CO 0.16 0.15 0.06 0.96 0.00 0.00 0.00 175.76 177.09 2qjb s ILE 87 N -2.10 0.17 0.01 0.00 -4.36 -0.40 -4.88 121.20 109.64 2qjb s ILE 87 Ca 0.36 -1.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.38 2qjb s ILE 87 Cb -0.09 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 2qjb s ILE 87 CO 0.32 -0.77 -0.03 -0.44 0.24 0.00 0.00 174.94 174.26 2qjb s SER 88 N -2.61 4.91 0.13 4.36 0.01 -1.26 0.41 113.70 119.66 2qjb s SER 88 Ca 0.02 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.24 2qjb s SER 88 Cb 0.04 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 2qjb s SER 88 CO -0.08 0.27 -0.09 -0.04 0.41 0.00 0.00 173.24 173.70 2qjb s MET 89 N -1.58 0.99 -0.21 12.44 -1.94 0.26 -4.65 119.30 124.60 2qjb s MET 89 Ca 0.19 -1.40 -0.05 0.00 -1.71 0.00 0.00 55.69 52.72 2qjb s MET 89 Cb -0.11 -0.52 -0.02 0.00 2.01 0.00 0.00 34.83 36.19 2qjb s MET 89 CO 0.10 0.05 0.00 -0.51 -0.01 0.00 0.00 175.02 174.66 2qjb s LEU 90 N -3.07 3.21 0.07 -0.03 1.02 0.21 -1.39 118.68 118.69 2qjb s LEU 90 Ca 0.15 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.08 2qjb s LEU 90 Cb 0.03 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 2qjb s LEU 90 CO -0.01 0.03 -0.09 -0.72 0.02 0.00 0.00 176.35 175.58 2qjb s TYR 91 N 1.20 0.87 -0.59 0.29 1.13 -0.65 -0.58 117.35 119.02 2qjb s TYR 91 Ca 0.03 -0.58 -0.23 0.00 -1.41 0.00 0.00 57.07 54.88 2qjb s TYR 91 Cb -0.15 -0.50 0.05 0.00 -1.10 0.00 0.00 41.96 40.27 2qjb s TYR 91 CO 0.01 -0.05 0.93 -0.51 -2.51 0.00 0.00 175.55 173.41 2qjb s LEU 92 N -1.99 4.28 0.70 -3.49 1.43 -0.03 -1.63 118.68 117.94 2qjb s LEU 92 Ca -0.02 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 2qjb s LEU 92 Cb -0.06 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.57 2qjb s LEU 92 CO -0.00 -1.29 1.04 -0.62 0.23 0.00 0.00 176.35 175.71 2qjb s ASP 93 N 3.16 5.06 0.01 2.29 -1.08 0.15 -4.76 116.67 121.50 2qjb s ASP 93 Ca 0.26 0.71 -0.01 0.00 -0.52 0.00 0.00 52.55 52.99 2qjb s ASP 93 Cb -0.15 -1.44 -0.00 0.00 -1.46 0.00 0.00 42.92 39.87 2qjb s ASP 93 CO 0.15 -1.48 0.25 -1.84 0.52 0.00 0.00 175.17 172.77 2qjb n GLU 94 N -2.93 -0.02 -0.96 4.34 -0.00 -1.26 0.88 120.64 120.69 2qjb n GLU 94 Ca 0.07 0.25 -0.14 0.00 -0.00 0.00 0.00 57.16 57.34 2qjb n GLU 94 Cb 0.59 -0.37 -0.14 0.00 -0.00 0.00 0.00 31.44 31.52 2qjb n GLU 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qjb n ASN 95 N -2.60 5.22 -3.91 -1.84 3.02 -1.26 -4.76 115.26 109.13 2qjb n ASN 95 Ca 0.00 -2.42 -0.31 0.00 -0.03 0.00 0.00 54.58 51.81 2qjb n ASN 95 Cb 0.01 -1.34 -0.07 0.00 -0.61 0.00 0.00 39.78 37.78 2qjb n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qjb n GLU 96 N 2.66 -0.82 -3.26 3.52 1.02 0.25 -4.94 120.64 119.07 2qjb n GLU 96 Ca 0.43 0.10 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 2qjb n GLU 96 Cb 0.79 -3.48 -0.06 0.00 -0.02 0.00 0.00 31.44 28.67 2qjb n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qjb s LYS 97 N -6.05 3.95 -0.51 3.49 1.02 -1.10 -4.79 119.74 115.75 2qjb s LYS 97 Ca 0.49 0.53 -0.15 0.00 0.02 0.00 0.00 55.97 56.86 2qjb s LYS 97 Cb -0.29 -2.62 0.12 0.00 -0.52 0.00 0.00 37.83 34.52 2qjb s LYS 97 CO 0.80 0.28 0.45 0.08 -0.92 0.00 0.00 175.35 176.04 2qjb s VAL 98 N -1.81 5.04 -0.06 3.17 1.01 -1.26 0.33 120.40 126.83 2qjb s VAL 98 Ca 0.48 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2qjb s VAL 98 Cb -0.12 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2qjb s VAL 98 CO 0.19 -0.78 -0.09 -0.69 0.00 0.00 0.00 175.10 173.73 2qjb s VAL 99 N 1.57 3.51 -0.13 2.92 1.01 -0.65 -4.94 120.40 123.70 2qjb s VAL 99 Ca 0.04 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 2qjb s VAL 99 Cb -0.28 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2qjb s VAL 99 CO 0.03 0.58 0.43 -0.22 0.00 0.00 0.00 175.10 175.92 2qjb s LEU 100 N -0.83 4.27 -0.07 3.92 2.96 -1.26 -1.64 118.68 126.03 2qjb s LEU 100 Ca 0.12 0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 54.70 2qjb s LEU 100 Cb -0.11 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.99 2qjb s LEU 100 CO 0.02 0.03 0.21 -0.75 -1.32 0.00 0.00 176.35 174.54 2qjb s LYS 101 N 0.55 0.27 -0.29 1.98 2.36 -0.49 -4.99 119.74 119.14 2qjb s LYS 101 Ca 0.24 0.25 -0.19 0.00 -2.55 0.00 0.00 55.97 53.71 2qjb s LYS 101 Cb -0.15 0.13 -0.02 0.00 -1.05 0.00 0.00 37.83 36.75 2qjb s LYS 101 CO 0.09 -0.04 0.56 1.21 1.55 0.00 0.00 175.35 178.72 2qjb s ASN 102 N -0.01 6.45 -0.24 1.43 2.47 -1.26 -0.58 114.94 123.20 2qjb s ASN 102 Ca -0.01 0.43 -0.09 0.00 0.42 0.00 0.00 52.86 53.61 2qjb s ASN 102 Cb -0.02 -2.30 -0.04 0.00 -1.45 0.00 0.00 41.25 37.44 2qjb s ASN 102 CO 0.00 -0.38 0.13 -0.31 -3.72 0.00 0.00 177.10 172.83 2qjb s TYR 103 N 2.43 3.22 0.83 0.43 1.51 0.17 -4.97 117.35 120.96 2qjb s TYR 103 Ca 0.22 0.01 -0.12 0.00 -1.01 0.00 0.00 57.07 56.18 2qjb s TYR 103 Cb -0.15 -2.26 0.09 0.00 -0.11 0.00 0.00 41.96 39.52 2qjb s TYR 103 CO 0.10 -0.09 1.16 -0.65 -1.11 0.00 0.00 175.55 174.97 2qjb s GLN 104 N 1.28 1.84 -1.57 -0.62 -1.52 -1.26 -1.28 119.66 116.53 2qjb s GLN 104 Ca 0.06 0.20 -0.03 0.00 -1.95 0.00 0.00 55.36 53.64 2qjb s GLN 104 Cb -0.14 -1.93 0.03 0.00 -0.22 0.00 0.00 33.01 30.75 2qjb s GLN 104 CO 0.05 -1.70 0.15 -0.25 -0.25 0.00 0.00 175.29 173.30 2qjb n ASP 105 N -3.41 0.33 -0.08 5.90 8.00 -1.24 -4.85 116.55 121.20 2qjb n ASP 105 Ca 0.08 -1.23 -0.07 0.00 0.71 0.00 0.00 54.79 54.28 2qjb n ASP 105 Cb 0.60 -1.85 -0.15 0.00 -0.02 0.00 0.00 41.12 39.71 2qjb n ASP 105 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2qjb n MET 106 N -4.50 0.94 -5.10 -1.24 2.81 0.34 -4.87 117.12 105.51 2qjb n MET 106 Ca -0.27 -0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.30 2qjb n MET 106 Cb 0.66 -1.48 -0.17 0.00 -0.71 0.00 0.00 33.22 31.53 2qjb n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2qjb s VAL 107 N -2.54 1.86 -0.25 2.03 1.01 -0.86 -4.78 120.40 116.87 2qjb s VAL 107 Ca -0.09 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2qjb s VAL 107 Cb 0.06 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2qjb s VAL 107 CO 0.77 0.52 1.20 -0.69 0.00 0.00 0.00 175.10 176.90 2qjb s VAL 108 N 0.27 4.35 -0.12 2.92 1.01 -1.08 -0.21 120.40 127.53 2qjb s VAL 108 Ca -0.14 1.58 0.19 0.00 0.00 0.00 0.00 61.98 63.62 2qjb s VAL 108 Cb -0.16 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 2qjb s VAL 108 CO 0.07 -0.31 0.54 -0.62 0.00 0.00 0.00 175.10 174.78 2qjb n GLU 109 N 6.83 0.65 -3.70 2.72 -0.58 0.14 -4.85 120.64 121.84 2qjb n GLU 109 Ca 0.13 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 2qjb n GLU 109 Cb 0.46 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 2qjb n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2qjb s GLY 110 N -4.84 -0.32 0.19 0.62 0.00 -0.68 -4.93 107.32 97.36 2qjb s GLY 110 Ca -0.06 1.01 0.07 0.00 0.00 0.00 0.00 44.72 45.74 2qjb s GLY 110 CO 0.85 0.80 0.04 0.00 0.00 0.00 0.00 173.10 174.78 2qjb s GLY 112 N -3.17 -0.18 -0.10 0.00 0.00 0.07 -4.69 107.32 99.25 2qjb s GLY 112 Ca 0.29 -0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 2qjb s GLY 112 CO 0.20 -0.03 0.33 0.00 0.00 0.00 0.00 173.10 173.60