#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjb s SER 13 N 0.00 5.88 -0.20 -3.46 1.04 -1.26 -0.79 113.70 114.90 2qjb s SER 13 Ca 0.00 0.85 -0.40 0.00 0.48 0.00 0.00 55.95 56.88 2qjb s SER 13 Cb 0.00 -1.96 -0.16 0.00 0.10 0.00 0.00 66.02 64.00 2qjb s SER 13 CO 0.00 -0.88 1.63 0.00 0.98 0.00 0.00 173.24 174.97 2qjb s LYS 15 N 2.74 2.00 0.12 0.00 -2.85 -0.74 -4.95 119.74 116.06 2qjb s LYS 15 Ca 0.96 -1.40 -0.21 0.00 -1.00 0.00 0.00 55.97 54.32 2qjb s LYS 15 Cb -1.08 0.56 -0.07 0.00 -2.06 0.00 0.00 37.83 35.18 2qjb s LYS 15 CO 0.62 -0.90 0.65 0.50 0.10 0.00 0.00 175.35 176.32 2qjb s ARG 16 N -2.99 4.30 0.20 1.78 3.52 -1.26 -2.49 118.95 122.02 2qjb s ARG 16 Ca 0.19 0.86 0.09 0.00 -0.13 0.00 0.00 55.73 56.74 2qjb s ARG 16 Cb -0.04 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 2qjb s ARG 16 CO 0.12 0.59 -0.18 -1.01 -0.81 0.00 0.00 175.30 174.01 2qjb s HIS 17 N -1.19 1.91 0.49 5.12 3.76 0.57 -4.98 115.29 120.97 2qjb s HIS 17 Ca 0.33 -0.47 -0.22 0.00 -0.15 0.00 0.00 55.06 54.55 2qjb s HIS 17 Cb -0.20 -0.90 -0.07 0.00 1.11 0.00 0.00 32.58 32.53 2qjb s HIS 17 CO 0.21 0.43 1.20 -1.25 -0.85 0.00 0.00 174.74 174.48 2qjb s PRO 18 N -3.24 3.57 -0.29 8.40 0.04 -1.26 -1.32 135.00 140.90 2qjb s PRO 18 Ca 0.21 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 2qjb s PRO 18 Cb -0.04 -2.32 0.16 0.00 0.04 0.00 0.00 34.50 32.34 2qjb s PRO 18 CO 0.09 -0.72 0.60 -1.17 0.04 0.00 0.00 177.00 175.83 2qjb s LEU 19 N -3.24 -1.22 -0.13 -3.56 0.20 -1.26 -4.58 118.68 104.89 2qjb s LEU 19 Ca 0.66 1.15 -0.05 0.00 0.69 0.00 0.00 54.13 56.58 2qjb s LEU 19 Cb -0.30 2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 47.56 2qjb s LEU 19 CO 0.36 -0.24 0.04 -0.47 -0.29 0.00 0.00 176.35 175.75 2qjb s TYR 20 N 2.85 3.25 -0.34 5.38 5.04 -1.26 0.09 117.35 132.36 2qjb s TYR 20 Ca 0.08 0.16 -0.06 0.00 -2.44 0.00 0.00 57.07 54.81 2qjb s TYR 20 Cb -0.14 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.28 2qjb s TYR 20 CO -0.20 0.35 0.10 0.08 -1.34 0.00 0.00 175.55 174.55 2qjb s VAL 21 N -0.34 3.70 -0.32 3.14 1.01 0.18 -4.93 120.40 122.83 2qjb s VAL 21 Ca 0.08 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 2qjb s VAL 21 Cb -0.12 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2qjb s VAL 21 CO 0.02 -0.20 0.51 -0.62 0.00 0.00 0.00 175.10 174.80 2qjb s ASP 22 N 1.44 6.34 0.52 3.32 2.15 -1.26 -1.58 116.67 127.60 2qjb s ASP 22 Ca -0.02 0.13 0.18 0.00 0.43 0.00 0.00 52.55 53.28 2qjb s ASP 22 Cb -0.20 -2.27 1.31 0.00 -0.30 0.00 0.00 42.92 41.46 2qjb s ASP 22 CO 0.02 -0.41 2.12 -0.26 -0.17 0.00 0.00 175.17 176.47 2qjb h PHE 23 N 8.33 0.00 -0.41 -5.34 0.04 -1.65 -1.42 116.94 116.50 2qjb h PHE 23 Ca -0.28 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.35 2qjb h PHE 23 Cb 1.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.27 2qjb h PHE 23 CO 0.73 0.00 -0.30 1.03 -0.60 0.00 0.00 178.31 179.17 2qjb h SER 24 N 0.00 0.97 -0.79 2.17 0.87 -1.93 -0.22 113.55 114.62 2qjb h SER 24 Ca 0.05 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 2qjb h SER 24 Cb 0.20 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 2qjb h SER 24 CO -0.00 1.20 0.47 0.44 -0.53 0.00 0.00 176.83 178.41 2qjb h ASP 25 N 0.74 0.96 -0.46 6.23 3.32 -1.65 -2.61 116.42 122.94 2qjb h ASP 25 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qjb h ASP 25 Cb 0.88 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2qjb h ASP 25 CO 0.08 0.75 0.00 1.33 -1.72 0.00 0.00 179.24 179.68 2qjb n VAL 26 N -4.46 0.98 -1.03 -1.35 0.24 -1.00 -4.93 118.33 106.78 2qjb n VAL 26 Ca 0.08 -0.73 -0.01 0.00 -2.04 0.00 0.00 64.34 61.64 2qjb n VAL 26 Cb 0.06 0.14 -0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2qjb n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qjb n GLY 27 N 1.04 0.49 0.54 7.63 0.00 -0.61 -4.89 105.19 109.39 2qjb n GLY 27 Ca 0.17 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.91 0.00 0.00 1.61 8.01 -0.19 -4.42 117.44 119.54 2qjb n TRP 28 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 2qjb n TRP 28 Cb 0.06 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.35 2qjb n TRP 28 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2qjb n ASN 29 N 0.29 0.00 -0.37 -0.99 2.04 -1.15 -1.90 115.26 113.17 2qjb n ASN 29 Ca 0.17 0.22 0.03 0.00 -0.44 0.00 0.00 54.58 54.57 2qjb n ASN 29 Cb 0.40 -0.22 0.09 0.00 -2.53 0.00 0.00 39.78 37.52 2qjb n ASN 29 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 2qjb n ASP 30 N -1.21 2.56 0.00 0.53 5.75 -1.26 -4.38 116.55 118.53 2qjb n ASP 30 Ca 0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 2qjb n ASP 30 Cb 0.01 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 2qjb n ASP 30 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2qjb n TRP 31 N 0.04 0.00 -3.68 2.11 4.27 -0.80 -5.00 117.44 114.39 2qjb n TRP 31 Ca 0.07 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.30 2qjb n TRP 31 Cb 0.37 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.20 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 -0.28 4.37 -0.86 -1.67 1.01 -0.97 -1.79 121.20 121.01 2qjb s ILE 32 Ca 0.00 -0.63 0.25 0.00 0.00 0.00 0.00 60.65 60.27 2qjb s ILE 32 Cb 0.00 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.21 2qjb s ILE 32 CO 0.00 -0.01 1.41 0.52 0.00 0.00 0.00 174.94 176.86 2qjb n VAL 33 N 4.94 0.14 0.00 2.92 0.31 0.32 -4.72 118.33 122.25 2qjb n VAL 33 Ca -0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2qjb n VAL 33 Cb 0.48 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2qjb n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qjb n ALA 34 N -1.63 0.00 -1.60 3.52 0.00 -1.13 -4.82 120.51 114.84 2qjb n ALA 34 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2qjb n ALA 34 Cb 0.38 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.93 2qjb n ALA 34 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qjb s PRO 35 N -0.96 1.73 0.38 0.00 0.04 -1.26 -0.59 135.00 134.35 2qjb s PRO 35 Ca 0.00 0.43 0.28 0.00 0.04 0.00 0.00 61.00 61.75 2qjb s PRO 35 Cb 0.00 -1.90 1.02 0.00 0.04 0.00 0.00 34.50 33.66 2qjb s PRO 35 CO 0.00 -1.82 1.81 -1.35 0.04 0.00 0.00 177.00 175.68 2qjb h PRO 36 N -1.23 0.00 0.00 0.56 0.11 -1.93 -3.48 132.00 126.04 2qjb h PRO 36 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qjb h PRO 36 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qjb h PRO 36 CO 0.61 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 2qjb n GLY 37 N 0.35 -1.20 3.46 -0.55 0.00 -1.26 -1.58 105.19 104.40 2qjb n GLY 37 Ca 0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.25 -0.30 -0.57 1.61 1.13 -0.61 -4.97 117.35 111.39 2qjb s TYR 38 Ca 0.00 0.00 -0.28 0.00 -1.41 0.00 0.00 57.07 55.38 2qjb s TYR 38 Cb 0.00 0.45 0.03 0.00 -1.10 0.00 0.00 41.96 41.33 2qjb s TYR 38 CO 0.00 -0.87 1.26 -1.01 -2.51 0.00 0.00 175.55 172.42 2qjb s HIS 39 N -3.82 2.52 -0.14 -3.49 3.76 -1.26 -0.65 115.29 112.22 2qjb s HIS 39 Ca 0.05 0.45 0.12 0.00 -0.15 0.00 0.00 55.06 55.53 2qjb s HIS 39 Cb -0.01 -4.48 -0.24 0.00 1.11 0.00 0.00 32.58 28.97 2qjb s HIS 39 CO -0.08 -1.69 0.28 0.00 -0.85 0.00 0.00 174.74 172.40 2qjb n ALA 40 N 8.72 1.44 -1.22 -1.40 0.00 0.11 -4.81 120.51 123.36 2qjb n ALA 40 Ca 0.10 -1.05 0.15 0.00 0.00 0.00 0.00 53.44 52.64 2qjb n ALA 40 Cb 0.49 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.97 -3.24 -4.08 0.00 3.72 -0.85 -2.19 117.46 107.86 2qjb n PHE 41 Ca -0.28 1.75 -0.13 0.00 -0.05 0.00 0.00 57.45 58.73 2qjb n PHE 41 Cb 1.09 -2.94 -0.05 0.00 -0.94 0.00 0.00 39.48 36.64 2qjb n PHE 41 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2qjb s TYR 42 N -3.59 0.90 0.01 1.38 -0.85 -0.43 -4.70 117.35 110.07 2qjb s TYR 42 Ca 0.00 -1.16 0.06 0.00 -0.52 0.00 0.00 57.07 55.45 2qjb s TYR 42 Cb 0.00 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 2qjb s TYR 42 CO 0.00 -1.05 -0.18 0.00 -1.52 0.00 0.00 175.55 172.80 2qjb s HIS 44 N -0.84 -0.26 0.00 0.00 5.04 -1.04 -4.81 115.29 113.38 2qjb s HIS 44 Ca 0.13 0.45 0.00 0.00 -1.54 0.00 0.00 55.06 54.10 2qjb s HIS 44 Cb -0.10 0.47 0.00 0.00 0.04 0.00 0.00 32.58 32.98 2qjb s HIS 44 CO 0.03 -0.25 0.00 0.41 -2.34 0.00 0.00 174.74 172.60 2qjb n GLY 45 N 0.65 2.31 3.79 1.59 0.00 -1.26 -1.78 105.19 110.48 2qjb n GLY 45 Ca -0.07 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.74 3.47 -0.80 1.61 0.41 0.02 -3.83 118.70 117.83 2qjb s GLU 46 Ca 0.00 1.36 0.02 0.00 -0.41 0.00 0.00 54.97 55.93 2qjb s GLU 46 Cb 0.00 -2.04 0.20 0.00 -1.78 0.00 0.00 34.13 30.50 2qjb s GLU 46 CO 0.00 -0.71 0.64 0.00 -0.49 0.00 0.00 175.26 174.70 2qjb n PRO 48 N 2.15 0.10 -5.03 0.00 -0.04 -1.26 -4.61 135.00 126.31 2qjb n PRO 48 Ca 0.21 -0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 2qjb n PRO 48 Cb 0.36 -0.09 -0.15 0.00 -0.04 0.00 0.00 33.50 33.58 2qjb n PRO 48 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2qjb s PHE 49 N -0.86 2.60 0.49 0.54 5.36 -1.26 -3.60 117.98 121.25 2qjb s PHE 49 Ca 0.06 -0.47 -0.08 0.00 -0.96 0.00 0.00 56.93 55.47 2qjb s PHE 49 Cb -0.00 -1.65 -0.05 0.00 -0.34 0.00 0.00 43.02 40.98 2qjb s PHE 49 CO 0.04 -0.05 0.84 -1.25 -1.46 0.00 0.00 175.22 173.34 2qjb s PRO 50 N -0.32 3.63 -0.53 10.12 0.04 -1.26 -5.08 135.00 141.61 2qjb s PRO 50 Ca 0.02 0.42 -0.28 0.00 0.04 0.00 0.00 61.00 61.19 2qjb s PRO 50 Cb -0.13 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.12 2qjb s PRO 50 CO 0.02 -0.24 1.43 -0.51 0.04 0.00 0.00 177.00 177.74 2qjb s LEU 51 N -4.57 3.43 1.00 -3.56 1.43 -1.24 -5.00 118.68 110.17 2qjb s LEU 51 Ca 0.50 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2qjb s LEU 51 Cb -0.10 -3.13 0.19 0.00 0.03 0.00 0.00 46.19 43.18 2qjb s LEU 51 CO 0.43 -1.68 1.10 0.00 0.23 0.00 0.00 176.35 176.43 2qjb s ALA 52 N 6.04 0.82 0.43 4.21 0.00 -1.26 -4.88 121.76 127.11 2qjb s ALA 52 Ca 0.55 0.31 0.09 0.00 0.00 0.00 0.00 51.96 52.91 2qjb s ALA 52 Cb -0.11 -3.37 0.94 0.00 0.00 0.00 0.00 23.12 20.58 2qjb s ALA 52 CO 0.26 -3.10 2.06 0.22 0.00 0.00 0.00 175.76 175.20 2qjb h ASP 53 N -2.10 0.40 0.00 0.00 1.82 -2.02 -1.79 116.42 112.71 2qjb h ASP 53 Ca -0.50 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2qjb h ASP 53 Cb 1.29 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2qjb h ASP 53 CO 0.45 0.28 0.00 0.00 -1.61 0.00 0.00 179.24 178.36 2qjb n HIS 54 N -4.48 0.00 0.13 0.28 1.44 -1.26 -2.02 115.22 109.31 2qjb n HIS 54 Ca 0.04 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.85 2qjb n HIS 54 Cb 0.12 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.44 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 -0.57 3.36 -3.97 2.39 4.77 -0.67 -4.87 117.00 117.43 2qjb n LEU 55 Ca 0.03 -1.62 -0.37 0.00 -0.03 0.00 0.00 56.01 54.02 2qjb n LEU 55 Cb 0.01 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2qjb n LEU 55 CO 0.02 0.76 -0.15 0.59 -1.33 0.00 0.00 177.39 177.28 2qjb n ASN 56 N 1.32 -3.47 -4.87 -1.43 3.02 -0.86 -1.38 115.26 107.59 2qjb n ASN 56 Ca 0.18 -1.06 -0.31 0.00 -0.03 0.00 0.00 54.58 53.37 2qjb n ASN 56 Cb 0.56 -1.31 -0.04 0.00 -0.61 0.00 0.00 39.78 38.38 2qjb n ASN 56 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2qjb s SER 57 N -3.65 6.57 0.44 6.41 0.01 -1.26 -4.36 113.70 117.86 2qjb s SER 57 Ca 0.36 1.08 -0.17 0.00 1.31 0.00 0.00 55.95 58.52 2qjb s SER 57 Cb -0.20 -2.30 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 2qjb s SER 57 CO 0.80 -0.30 0.91 0.42 0.41 0.00 0.00 173.24 175.48 2qjb s THR 58 N -2.19 4.53 0.29 1.44 -4.23 -1.25 -4.96 115.64 109.25 2qjb s THR 58 Ca 0.50 1.21 -0.04 0.00 -1.18 0.00 0.00 61.69 62.18 2qjb s THR 58 Cb -0.10 -3.66 0.44 0.00 1.34 0.00 0.00 72.50 70.52 2qjb s THR 58 CO 0.27 -0.45 1.53 0.59 -0.54 0.00 0.00 174.62 176.03 2qjb n ASN 59 N -0.99 -0.27 0.14 3.99 3.02 -1.26 -1.73 115.26 118.15 2qjb n ASN 59 Ca 0.06 1.68 -0.13 0.00 -0.03 0.00 0.00 54.58 56.15 2qjb n ASN 59 Cb 0.54 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2qjb n ASN 59 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2qjb h HIS 60 N 0.00 -0.39 -0.81 3.10 2.76 -1.99 -0.15 115.15 117.66 2qjb h HIS 60 Ca 0.51 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.90 2qjb h HIS 60 Cb 0.89 0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 2qjb h HIS 60 CO -0.67 -0.23 0.57 0.00 -1.30 0.00 0.00 177.93 176.30 2qjb h ALA 61 N 0.44 2.51 -0.02 5.26 0.00 -1.65 0.23 119.26 126.03 2qjb h ALA 61 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2qjb h ALA 61 Cb 0.32 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2qjb h ALA 61 CO -0.02 -0.75 -0.42 0.82 0.00 0.00 0.00 179.25 178.88 2qjb h ILE 62 N 0.16 1.46 -0.92 0.00 2.04 -0.59 -1.25 117.51 118.42 2qjb h ILE 62 Ca 0.40 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2qjb h ILE 62 Cb 1.33 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.93 2qjb h ILE 62 CO -0.07 0.55 0.55 0.58 0.00 0.00 0.00 178.15 179.77 2qjb h VAL 63 N -0.23 1.25 -0.18 1.67 2.07 0.52 -1.93 116.25 119.43 2qjb h VAL 63 Ca -0.05 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 2qjb h VAL 63 Cb 1.13 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2qjb h VAL 63 CO 0.08 0.27 -0.42 -0.61 0.02 0.00 0.00 177.57 176.92 2qjb h GLN 64 N 1.27 0.42 -0.36 1.57 4.15 -0.59 -0.73 115.11 120.84 2qjb h GLN 64 Ca 0.33 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 2qjb h GLN 64 Cb -0.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2qjb h GLN 64 CO -0.06 0.76 0.06 1.15 -1.93 0.00 0.00 178.83 178.81 2qjb h THR 65 N 0.34 1.24 -0.72 2.39 2.02 -0.51 -0.85 112.91 116.81 2qjb h THR 65 Ca 0.03 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 2qjb h THR 65 Cb 0.88 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2qjb h THR 65 CO 0.07 0.28 0.34 -0.07 0.37 0.00 0.00 175.52 176.51 2qjb h LEU 66 N 0.43 0.96 -0.80 2.58 3.38 -1.09 -2.89 115.31 117.88 2qjb h LEU 66 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qjb h LEU 66 Cb 0.36 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2qjb h LEU 66 CO 0.01 0.83 0.46 0.58 0.09 0.00 0.00 178.44 180.41 2qjb h VAL 67 N 1.02 1.23 -1.00 1.22 2.07 -0.78 -1.58 116.25 118.43 2qjb h VAL 67 Ca 0.25 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.37 2qjb h VAL 67 Cb 0.14 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 29.96 2qjb h VAL 67 CO -0.03 0.25 0.63 -1.13 0.02 0.00 0.00 177.57 177.30 2qjb h ASN 68 N 1.10 0.88 0.72 0.57 -0.73 -0.96 0.37 115.58 117.53 2qjb h ASN 68 Ca 0.28 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.51 2qjb h ASN 68 Cb -0.01 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.47 2qjb h ASN 68 CO -0.05 0.43 0.00 -1.54 -0.37 0.00 0.00 177.43 175.90 2qjb n SER 69 N -4.65 0.49 -0.01 1.15 3.41 -0.60 -2.98 113.62 110.43 2qjb n SER 69 Ca 0.20 0.61 0.01 0.00 -0.26 0.00 0.00 58.87 59.43 2qjb n SER 69 Cb 0.41 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 2qjb n SER 69 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qjb n VAL 70 N -2.03 0.09 -3.73 -3.33 0.31 -0.76 -4.85 118.33 104.02 2qjb n VAL 70 Ca 0.03 -0.12 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 2qjb n VAL 70 Cb 0.23 -0.03 -0.16 0.00 -0.91 0.00 0.00 33.84 32.98 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 -2.83 3.61 0.64 4.52 2.47 0.12 -5.01 114.94 118.46 2qjb s ASN 71 Ca -0.02 -1.31 0.41 0.00 0.42 0.00 0.00 52.86 52.37 2qjb s ASN 71 Cb 0.02 -0.75 2.17 0.00 -1.45 0.00 0.00 41.25 41.24 2qjb s ASN 71 CO 0.17 -0.37 2.29 0.77 -3.72 0.00 0.00 177.10 176.24 2qjb h SER 72 N 8.16 0.00 0.44 -4.21 4.64 -1.82 -2.21 113.55 118.55 2qjb h SER 72 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2qjb h SER 72 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2qjb h SER 72 CO 0.42 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.68 2qjb n LYS 73 N -3.16 0.07 -3.65 4.77 5.02 -1.26 -4.52 118.16 115.43 2qjb n LYS 73 Ca -0.02 0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 56.09 2qjb n LYS 73 Cb 0.12 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 2qjb n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qjb s ILE 74 N -2.86 4.46 0.69 -0.18 -1.09 -0.83 -5.07 121.20 116.33 2qjb s ILE 74 Ca 0.10 -0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 57.68 2qjb s ILE 74 Cb 0.10 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2qjb s ILE 74 CO 0.26 -0.07 1.10 -0.81 -1.23 0.00 0.00 174.94 174.20 2qjb n PRO 75 N 4.96 0.73 -0.71 2.79 -0.04 -1.26 -4.22 135.00 137.26 2qjb n PRO 75 Ca -0.13 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.33 2qjb n PRO 75 Cb 0.47 -2.34 0.18 0.00 -0.04 0.00 0.00 33.50 31.77 2qjb n PRO 75 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2qjb s LYS 76 N -3.34 0.78 0.47 0.54 1.02 -1.26 -4.77 119.74 113.17 2qjb s LYS 76 Ca 0.77 1.42 -0.22 0.00 0.02 0.00 0.00 55.97 57.96 2qjb s LYS 76 Cb -0.36 -1.71 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 2qjb s LYS 76 CO 0.46 -2.75 0.72 0.00 -0.92 0.00 0.00 175.35 172.86 2qjb n ALA 77 N -4.30 -0.77 -2.75 5.17 0.00 -1.26 -5.00 120.51 111.60 2qjb n ALA 77 Ca 0.10 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2qjb n ALA 77 Cb 0.52 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 2qjb n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qjb s VAL 80 N 2.87 0.70 0.44 0.00 -7.23 -0.89 -4.31 120.40 111.99 2qjb s VAL 80 Ca 0.25 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 2qjb s VAL 80 Cb -0.14 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 2qjb s VAL 80 CO 0.18 -0.62 1.19 -2.65 -0.31 0.00 0.00 175.10 172.90 2qjb n PRO 81 N -0.17 1.71 0.00 4.82 -0.02 -1.26 -1.98 135.00 138.09 2qjb n PRO 81 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2qjb n PRO 81 Cb 0.62 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2qjb n PRO 81 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2qjb n THR 82 N -0.42 0.00 -3.74 3.45 5.66 0.22 -4.76 114.28 114.69 2qjb n THR 82 Ca 0.08 -0.15 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 2qjb n THR 82 Cb 0.40 0.76 -0.11 0.00 -1.55 0.00 0.00 70.33 69.83 2qjb n THR 82 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2qjb s GLU 83 N -0.58 0.42 0.01 1.09 2.12 -1.08 -4.93 118.70 115.75 2qjb s GLU 83 Ca 0.00 0.55 -0.00 0.00 0.36 0.00 0.00 54.97 55.87 2qjb s GLU 83 Cb 0.00 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 2qjb s GLU 83 CO 0.00 -0.07 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.13 2qjb s LEU 84 N 0.38 2.08 0.27 2.70 1.43 -1.26 -0.73 118.68 123.55 2qjb s LEU 84 Ca -0.02 -0.21 0.12 0.00 -1.03 0.00 0.00 54.13 53.00 2qjb s LEU 84 Cb -0.04 0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 2qjb s LEU 84 CO -0.01 -0.13 -0.19 -0.94 0.23 0.00 0.00 176.35 175.31 2qjb s SER 85 N -0.63 3.66 0.64 2.29 1.04 0.42 -4.66 113.70 116.46 2qjb s SER 85 Ca -0.07 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.30 2qjb s SER 85 Cb -0.04 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2qjb s SER 85 CO -0.00 0.05 1.00 0.00 0.98 0.00 0.00 173.24 175.26 2qjb s ALA 86 N -2.38 3.10 0.09 5.32 0.00 -1.26 -1.72 121.76 124.90 2qjb s ALA 86 Ca 0.29 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2qjb s ALA 86 Cb -0.06 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2qjb s ALA 86 CO 0.15 -0.91 0.09 0.96 0.00 0.00 0.00 175.76 176.04 2qjb s ILE 87 N -3.16 0.16 0.09 0.00 -4.36 -0.33 -4.85 121.20 108.75 2qjb s ILE 87 Ca 0.55 -1.58 -0.01 0.00 -0.26 0.00 0.00 60.65 59.36 2qjb s ILE 87 Cb -0.11 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 2qjb s ILE 87 CO 0.49 -0.73 0.27 -0.44 0.24 0.00 0.00 174.94 174.76 2qjb s SER 88 N -2.93 6.40 0.04 4.36 0.01 -1.26 -0.15 113.70 120.17 2qjb s SER 88 Ca 0.10 0.36 -0.06 0.00 1.31 0.00 0.00 55.95 57.66 2qjb s SER 88 Cb 0.06 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 2qjb s SER 88 CO -0.08 0.12 0.11 -0.04 0.41 0.00 0.00 173.24 173.77 2qjb s MET 89 N -2.62 0.62 -0.25 12.44 1.00 -0.49 -4.56 119.30 125.44 2qjb s MET 89 Ca 0.37 -0.77 -0.07 0.00 0.00 0.00 0.00 55.69 55.22 2qjb s MET 89 Cb -0.13 0.25 -0.03 0.00 0.00 0.00 0.00 34.83 34.93 2qjb s MET 89 CO 0.27 -0.16 0.07 -0.51 0.00 0.00 0.00 175.02 174.69 2qjb s LEU 90 N -2.21 3.46 0.00 -0.03 1.02 0.25 -1.40 118.68 119.77 2qjb s LEU 90 Ca -0.04 -0.25 0.05 0.00 0.02 0.00 0.00 54.13 53.91 2qjb s LEU 90 Cb -0.00 -1.92 -0.02 0.00 0.02 0.00 0.00 46.19 44.27 2qjb s LEU 90 CO -0.05 -0.05 0.16 0.00 0.02 0.00 0.00 176.35 176.43 2qjb n TYR 91 N 4.92 -0.23 -4.30 0.29 -0.00 0.56 0.12 117.16 118.52 2qjb n TYR 91 Ca -0.16 -2.12 -0.34 0.00 -0.00 0.00 0.00 57.90 55.28 2qjb n TYR 91 Cb 0.51 0.10 -0.12 0.00 -0.00 0.00 0.00 39.34 39.83 2qjb n TYR 91 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2qjb s LEU 92 N 0.00 3.20 0.64 -3.48 1.43 -0.74 0.14 118.68 119.86 2qjb s LEU 92 Ca 0.23 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 2qjb s LEU 92 Cb 0.01 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2qjb s LEU 92 CO 0.16 0.13 1.30 -0.90 0.23 0.00 0.00 176.35 177.27 2qjb n ASP 93 N 3.81 2.14 -0.26 2.29 5.68 -1.12 -4.58 116.55 124.51 2qjb n ASP 93 Ca -0.17 0.85 0.22 0.00 -0.50 0.00 0.00 54.79 55.18 2qjb n ASP 93 Cb 0.52 -1.56 0.33 0.00 -1.14 0.00 0.00 41.12 39.28 2qjb n ASP 93 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2qjb n GLU 94 N -1.78 0.00 -0.72 0.11 0.00 -1.26 0.52 120.64 117.51 2qjb n GLU 94 Ca 0.15 0.52 0.08 0.00 0.00 0.00 0.00 57.16 57.91 2qjb n GLU 94 Cb 0.48 -1.23 0.36 0.00 0.00 0.00 0.00 31.44 31.05 2qjb n GLU 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2qjb n ASN 95 N -2.69 5.08 -2.77 4.31 4.05 -1.26 -5.03 115.26 116.94 2qjb n ASN 95 Ca 0.18 -2.80 -0.03 0.00 0.45 0.00 0.00 54.58 52.39 2qjb n ASN 95 Cb 0.91 -0.62 -0.02 0.00 1.23 0.00 0.00 39.78 41.28 2qjb n ASN 95 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2qjb n GLU 96 N 0.54 -3.34 0.00 1.20 2.13 1.99 -5.09 120.64 118.07 2qjb n GLU 96 Ca 0.26 2.66 0.00 0.00 0.66 0.00 0.00 57.16 60.74 2qjb n GLU 96 Cb 1.04 -4.15 0.00 0.00 0.27 0.00 0.00 31.44 28.60 2qjb n GLU 96 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qjb n LYS 97 N 1.46 0.00 0.00 5.31 4.76 -1.26 -4.72 118.16 123.71 2qjb n LYS 97 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2qjb n LYS 97 Cb 0.34 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 2qjb n LYS 97 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2qjb n VAL 98 N 0.00 0.00 -3.82 -0.18 3.14 -1.22 -2.80 118.33 113.45 2qjb n VAL 98 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 2qjb n VAL 98 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qjb n VAL 98 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2qjb s VAL 99 N 0.00 -0.01 -0.37 1.55 1.01 0.36 -4.88 120.40 118.06 2qjb s VAL 99 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2qjb s VAL 99 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.23 2qjb s VAL 99 CO 0.00 0.02 0.24 -0.22 0.00 0.00 0.00 175.10 175.14 2qjb s LEU 100 N 0.31 4.71 0.01 3.92 2.96 -1.26 -0.33 118.68 129.01 2qjb s LEU 100 Ca -0.02 -0.75 0.06 0.00 -0.22 0.00 0.00 54.13 53.19 2qjb s LEU 100 Cb -0.03 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2qjb s LEU 100 CO -0.01 -0.34 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.76 2qjb s LYS 101 N 1.65 1.26 -0.38 1.98 2.20 -0.49 -4.98 119.74 120.98 2qjb s LYS 101 Ca 0.04 -0.71 -0.22 0.00 -0.36 0.00 0.00 55.97 54.72 2qjb s LYS 101 Cb -0.18 -1.27 0.01 0.00 -1.51 0.00 0.00 37.83 34.88 2qjb s LYS 101 CO 0.09 0.34 0.74 1.21 -0.36 0.00 0.00 175.35 177.36 2qjb s ASN 102 N -0.73 6.49 -0.33 1.43 3.84 -1.26 -1.39 114.94 122.98 2qjb s ASN 102 Ca 0.06 0.19 -0.14 0.00 0.21 0.00 0.00 52.86 53.17 2qjb s ASN 102 Cb -0.07 -2.37 -0.02 0.00 -0.55 0.00 0.00 41.25 38.23 2qjb s ASN 102 CO 0.00 -0.73 0.33 -0.31 -2.79 0.00 0.00 177.10 173.60 2qjb s TYR 103 N 3.03 3.22 0.86 0.43 2.02 0.78 -4.96 117.35 122.74 2qjb s TYR 103 Ca 0.29 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.90 2qjb s TYR 103 Cb -0.13 -2.61 0.11 0.00 -0.40 0.00 0.00 41.96 38.93 2qjb s TYR 103 CO 0.18 -0.37 1.09 -0.65 -1.57 0.00 0.00 175.55 174.23 2qjb s GLN 104 N 1.96 1.54 -1.52 -0.62 -1.52 -1.26 -1.18 119.66 117.05 2qjb s GLN 104 Ca 0.11 0.92 -0.06 0.00 -1.95 0.00 0.00 55.36 54.38 2qjb s GLN 104 Cb -0.16 -1.83 0.05 0.00 -0.22 0.00 0.00 33.01 30.84 2qjb s GLN 104 CO 0.11 -2.08 0.46 -0.25 -0.25 0.00 0.00 175.29 173.28 2qjb n ASP 105 N -3.78 -0.97 -0.03 5.90 8.00 -1.23 -4.82 116.55 119.61 2qjb n ASP 105 Ca 0.08 -1.06 0.05 0.00 0.71 0.00 0.00 54.79 54.57 2qjb n ASP 105 Cb 0.55 -2.72 -0.15 0.00 -0.02 0.00 0.00 41.12 38.78 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 -4.42 0.71 -4.47 -1.24 2.81 -0.70 -4.92 117.12 104.90 2qjb n MET 106 Ca -0.20 -0.13 -0.28 0.00 -1.81 0.00 0.00 57.70 55.28 2qjb n MET 106 Cb 0.63 -1.46 -0.17 0.00 -0.71 0.00 0.00 33.22 31.51 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 -3.11 1.42 -0.14 2.03 1.01 -0.74 -4.76 120.40 116.12 2qjb s VAL 107 Ca -0.08 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2qjb s VAL 107 Cb 0.11 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2qjb s VAL 107 CO 0.78 0.42 1.39 -0.69 0.00 0.00 0.00 175.10 177.01 2qjb s VAL 108 N 0.95 4.05 -0.09 2.92 1.01 -0.93 -0.44 120.40 127.87 2qjb s VAL 108 Ca -0.08 1.27 0.09 0.00 0.00 0.00 0.00 61.98 63.26 2qjb s VAL 108 Cb -0.15 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2qjb s VAL 108 CO -0.01 -0.13 0.46 -0.62 0.00 0.00 0.00 175.10 174.81 2qjb n GLU 109 N 6.81 0.67 -3.50 2.72 -0.58 0.09 -4.87 120.64 121.98 2qjb n GLU 109 Ca 0.15 0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2qjb n GLU 109 Cb 0.44 -1.72 -0.04 0.00 -0.57 0.00 0.00 31.44 29.56 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 -5.33 -0.52 0.13 0.62 0.00 -1.00 -4.94 107.32 96.28 2qjb s GLY 110 Ca -0.10 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.28 2qjb s GLY 110 CO 0.80 0.25 -0.21 0.00 0.00 0.00 0.00 173.10 173.95 2qjb n GLY 112 N 0.75 1.53 3.65 0.00 0.00 -0.84 -4.74 105.19 105.55 2qjb n GLY 112 Ca -0.17 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2qjb n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32