#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j0q s PHE 5 N 0.00 2.51 -0.21 -0.67 5.36 -1.26 -1.88 117.98 121.83 2j0q s PHE 5 Ca 0.00 -0.28 -0.23 0.00 -0.96 0.00 0.00 56.93 55.46 2j0q s PHE 5 Cb 0.00 -1.40 0.06 0.00 -0.34 0.00 0.00 43.02 41.34 2j0q s PHE 5 CO 0.00 0.29 0.64 -0.47 -1.46 0.00 0.00 175.22 174.22 2j0q s TYR 6 N -0.99 -0.68 -0.24 10.12 5.04 -0.19 -2.34 117.35 128.06 2j0q s TYR 6 Ca 0.15 1.60 -0.18 0.00 -2.44 0.00 0.00 57.07 56.20 2j0q s TYR 6 Cb -0.10 0.26 0.07 0.00 0.35 0.00 0.00 41.96 42.53 2j0q s TYR 6 CO 0.07 -0.38 0.62 -1.17 -1.34 0.00 0.00 175.55 173.35 2j0q s LEU 7 N 0.08 -0.55 -0.02 6.97 2.96 -0.94 -1.31 118.68 125.87 2j0q s LEU 7 Ca -0.02 1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2j0q s LEU 7 Cb -0.04 2.12 0.01 0.00 0.50 0.00 0.00 46.19 48.79 2j0q s LEU 7 CO 0.02 -0.22 0.04 -0.60 -1.32 0.00 0.00 176.35 174.27 2j0q s ARG 8 N 0.95 0.02 0.16 1.98 3.52 -0.44 -0.54 118.95 124.61 2j0q s ARG 8 Ca -0.05 0.12 0.11 0.00 -0.13 0.00 0.00 55.73 55.78 2j0q s ARG 8 Cb -0.05 -0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 2j0q s ARG 8 CO -0.08 -0.07 -0.24 -0.47 -0.81 0.00 0.00 175.30 173.62 2j0q s TYR 9 N 0.44 2.23 -0.00 5.12 5.04 -0.61 -1.39 117.35 128.19 2j0q s TYR 9 Ca -0.04 -0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 54.06 2j0q s TYR 9 Cb -0.05 -1.15 0.03 0.00 0.35 0.00 0.00 41.96 41.14 2j0q s TYR 9 CO -0.01 0.41 0.34 -0.47 -1.34 0.00 0.00 175.55 174.48 2j0q s TYR 10 N -1.45 -0.21 -0.26 4.97 5.04 0.23 -2.32 117.35 123.35 2j0q s TYR 10 Ca 0.17 0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 54.91 2j0q s TYR 10 Cb -0.09 0.13 0.07 0.00 0.35 0.00 0.00 41.96 42.43 2j0q s TYR 10 CO 0.08 -0.44 0.65 0.54 -1.34 0.00 0.00 175.55 175.04 2j0q s VAL 11 N -1.62 -0.00 -0.00 3.14 0.11 -0.87 -1.67 120.40 119.48 2j0q s VAL 11 Ca -0.11 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.84 2j0q s VAL 11 Cb -0.04 -0.94 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2j0q s VAL 11 CO 0.03 0.01 0.49 0.61 -3.33 0.00 0.00 175.10 172.90 2j0q n GLY 12 N 4.08 0.53 3.79 6.54 0.00 -0.95 -1.46 105.19 117.72 2j0q n GLY 12 Ca -0.20 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 2j0q n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2j0q s HIS 13 N -2.86 -0.06 -0.23 1.61 -3.43 -0.19 -1.40 115.29 108.72 2j0q s HIS 13 Ca 0.11 -0.29 -0.02 0.00 -0.80 0.00 0.00 55.06 54.06 2j0q s HIS 13 Cb -0.00 0.67 0.07 0.00 -1.43 0.00 0.00 32.58 31.88 2j0q s HIS 13 CO -0.00 -0.88 0.06 0.15 -2.00 0.00 0.00 174.74 172.07 2j0q s LYS 14 N -2.90 0.67 0.00 -0.38 1.02 -1.26 -0.42 119.74 116.47 2j0q s LYS 14 Ca 0.15 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2j0q s LYS 14 Cb -0.02 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2j0q s LYS 14 CO 0.03 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 2j0q n GLY 15 N 5.00 4.95 0.00 -3.33 0.00 -0.89 -5.01 105.19 105.90 2j0q n GLY 15 Ca -0.07 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.70 2j0q n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2j0q n LYS 16 N 0.00 0.20 -0.81 1.61 2.85 -1.26 -1.08 118.16 119.68 2j0q n LYS 16 Ca 0.00 0.11 -0.04 0.00 -1.05 0.00 0.00 58.31 57.32 2j0q n LYS 16 Cb 0.00 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.08 2j0q n LYS 16 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2j0q n PHE 17 N -1.15 1.12 -2.79 5.58 3.72 -1.26 -4.97 117.46 117.70 2j0q n PHE 17 Ca 0.05 -1.59 0.00 0.00 -0.05 0.00 0.00 57.45 55.87 2j0q n PHE 17 Cb 0.05 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 2j0q n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j0q n GLY 18 N -1.10 -1.18 3.42 1.37 0.00 -0.24 -1.69 105.19 105.76 2j0q n GLY 18 Ca 0.33 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.45 2j0q n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2j0q s HIS 19 N 0.00 3.08 -0.31 1.61 5.65 -1.26 -2.10 115.29 121.96 2j0q s HIS 19 Ca 0.00 -1.20 -0.21 0.00 0.25 0.00 0.00 55.06 53.90 2j0q s HIS 19 Cb 0.00 -4.17 -0.01 0.00 -1.18 0.00 0.00 32.58 27.22 2j0q s HIS 19 CO 0.00 -1.42 0.65 -1.21 -0.65 0.00 0.00 174.74 172.11 2j0q s GLU 20 N 2.66 3.88 0.13 2.88 2.02 0.44 -4.45 118.70 126.27 2j0q s GLU 20 Ca 0.24 0.30 -0.13 0.00 0.02 0.00 0.00 54.97 55.40 2j0q s GLU 20 Cb -0.12 -3.74 0.02 0.00 0.10 0.00 0.00 34.13 30.39 2j0q s GLU 20 CO -0.02 -0.60 0.35 -0.59 0.02 0.00 0.00 175.26 174.41 2j0q s PHE 21 N 2.66 -0.03 -0.14 1.61 -0.12 -0.71 -1.02 117.98 120.23 2j0q s PHE 21 Ca 0.26 -0.33 -0.00 0.00 -0.05 0.00 0.00 56.93 56.81 2j0q s PHE 21 Cb -0.15 0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2j0q s PHE 21 CO 0.12 -0.69 -0.07 -1.17 -0.05 0.00 0.00 175.22 173.36 2j0q s LEU 22 N -2.85 1.39 -0.02 -1.99 0.20 -0.54 0.04 118.68 114.93 2j0q s LEU 22 Ca 0.06 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.44 2j0q s LEU 22 Cb 0.02 -0.90 0.00 0.00 -0.43 0.00 0.00 46.19 44.89 2j0q s LEU 22 CO -0.09 -0.14 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.05 2j0q s GLU 23 N 1.66 0.78 0.04 1.98 2.12 -0.08 -2.06 118.70 123.14 2j0q s GLU 23 Ca 0.03 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2j0q s GLU 23 Cb -0.14 -0.74 -0.03 0.00 0.26 0.00 0.00 34.13 33.48 2j0q s GLU 23 CO -0.08 0.12 -0.05 -0.59 -0.54 0.00 0.00 175.26 174.12 2j0q s PHE 24 N 0.08 0.51 0.00 5.30 -0.12 -0.98 -0.41 117.98 122.36 2j0q s PHE 24 Ca -0.01 -0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 56.17 2j0q s PHE 24 Cb -0.06 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.99 2j0q s PHE 24 CO 0.00 -0.20 0.01 -2.00 -0.05 0.00 0.00 175.22 172.99 2j0q s GLU 25 N -2.32 0.20 -0.30 1.99 2.12 0.22 -1.57 118.70 119.05 2j0q s GLU 25 Ca -0.06 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 54.98 2j0q s GLU 25 Cb -0.04 0.08 0.09 0.00 0.26 0.00 0.00 34.13 34.51 2j0q s GLU 25 CO -0.03 -0.04 0.03 -0.06 -0.54 0.00 0.00 175.26 174.63 2j0q s PHE 26 N -0.80 2.63 0.47 5.30 0.08 0.30 -2.52 117.98 123.44 2j0q s PHE 26 Ca -0.09 -2.17 -0.12 0.00 0.12 0.00 0.00 56.93 54.67 2j0q s PHE 26 Cb -0.05 -2.08 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 2j0q s PHE 26 CO -0.00 -0.87 0.88 1.03 -0.10 0.00 0.00 175.22 176.16 2j0q s ARG 27 N 1.30 3.81 0.45 0.44 0.52 -0.73 -2.22 118.95 122.52 2j0q s ARG 27 Ca 0.05 0.66 0.15 0.00 -0.52 0.00 0.00 55.73 56.07 2j0q s ARG 27 Cb -0.18 -2.26 1.08 0.00 0.52 0.00 0.00 34.95 34.10 2j0q s ARG 27 CO -0.13 -0.19 1.98 -1.00 0.02 0.00 0.00 175.30 175.98 2j0q h PRO 28 N 0.89 0.34 -2.13 3.54 0.13 -1.81 -0.83 132.00 132.13 2j0q h PRO 28 Ca -0.47 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2j0q h PRO 28 Cb 1.19 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2j0q h PRO 28 CO 0.63 0.23 -0.17 -0.40 -0.23 0.00 0.00 178.00 178.05 2j0q n ASP 29 N -4.46 4.32 -2.95 1.44 5.75 -1.26 -4.79 116.55 114.59 2j0q n ASP 29 Ca 0.10 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 2j0q n ASP 29 Cb 0.39 -1.10 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 2j0q n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j0q n GLY 30 N 2.33 0.00 3.84 6.12 0.00 -0.32 -4.80 105.19 112.35 2j0q n GLY 30 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 2j0q n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j0q s LYS 31 N -3.82 3.72 -0.52 1.61 2.20 -1.18 0.61 119.74 122.35 2j0q s LYS 31 Ca 0.00 0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2j0q s LYS 31 Cb 0.00 -3.24 0.14 0.00 -1.51 0.00 0.00 37.83 33.21 2j0q s LYS 31 CO 0.00 0.66 0.31 -1.17 -0.36 0.00 0.00 175.35 174.79 2j0q s LEU 32 N -0.77 5.01 -0.12 5.43 0.20 0.49 -1.77 118.68 127.16 2j0q s LEU 32 Ca 0.17 -2.62 -0.29 0.00 0.69 0.00 0.00 54.13 52.08 2j0q s LEU 32 Cb -0.13 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 2j0q s LEU 32 CO 0.06 -0.38 0.97 -0.13 -0.29 0.00 0.00 176.35 176.57 2j0q s ARG 33 N 0.28 4.40 0.13 1.98 0.52 -1.05 -1.67 118.95 123.54 2j0q s ARG 33 Ca 0.14 1.31 0.07 0.00 -0.52 0.00 0.00 55.73 56.74 2j0q s ARG 33 Cb -0.22 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 2j0q s ARG 33 CO -0.03 -0.31 -0.17 -0.47 0.02 0.00 0.00 175.30 174.34 2j0q s TYR 34 N 2.02 1.63 -0.26 -0.53 5.04 0.74 0.69 117.35 126.68 2j0q s TYR 34 Ca 0.46 -0.49 -0.22 0.00 -2.44 0.00 0.00 57.07 54.39 2j0q s TYR 34 Cb -0.18 -0.85 0.07 0.00 0.35 0.00 0.00 41.96 41.35 2j0q s TYR 34 CO 0.17 0.22 0.69 0.00 -1.34 0.00 0.00 175.55 175.29 2j0q s ALA 35 N -1.84 -1.74 -0.09 3.97 0.00 0.45 -2.02 121.76 120.49 2j0q s ALA 35 Ca 0.10 2.06 0.03 0.00 0.00 0.00 0.00 51.96 54.15 2j0q s ALA 35 Cb -0.07 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2j0q s ALA 35 CO 0.05 -0.34 -0.18 1.21 0.00 0.00 0.00 175.76 176.50 2j0q s ASN 36 N 0.68 2.47 -0.02 0.00 3.84 -0.56 -0.90 114.94 120.44 2j0q s ASN 36 Ca -0.02 -0.44 0.03 0.00 0.21 0.00 0.00 52.86 52.64 2j0q s ASN 36 Cb -0.05 -1.13 -0.00 0.00 -0.55 0.00 0.00 41.25 39.52 2j0q s ASN 36 CO -0.04 0.08 -0.11 0.21 -2.79 0.00 0.00 177.10 174.45 2j0q s ASN 37 N 0.62 1.33 -0.18 -4.21 2.47 0.11 -0.62 114.94 114.46 2j0q s ASN 37 Ca -0.14 -0.21 -0.30 0.00 0.42 0.00 0.00 52.86 52.63 2j0q s ASN 37 Cb -0.16 -0.27 0.14 0.00 -1.45 0.00 0.00 41.25 39.51 2j0q s ASN 37 CO 0.04 0.10 1.09 -0.55 -3.72 0.00 0.00 177.10 174.07 2j0q s SER 38 N -0.02 -0.26 -0.18 -4.21 0.15 -1.26 -1.74 113.70 106.18 2j0q s SER 38 Ca 0.00 0.23 0.16 0.00 0.70 0.00 0.00 55.95 57.04 2j0q s SER 38 Cb -0.07 0.23 0.44 0.00 -1.71 0.00 0.00 66.02 64.91 2j0q s SER 38 CO 0.00 -0.29 1.33 0.59 1.20 0.00 0.00 173.24 176.07 2j0q n ASN 39 N 0.47 3.12 -4.56 5.45 3.02 -0.68 -3.23 115.26 118.84 2j0q n ASN 39 Ca -0.06 -3.17 -0.52 0.00 -0.03 0.00 0.00 54.58 50.80 2j0q n ASN 39 Cb 0.59 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 2j0q n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j0q n TYR 40 N -0.92 1.88 -3.81 3.10 9.36 -1.25 -0.17 117.16 125.35 2j0q n TYR 40 Ca 0.21 0.27 -0.25 0.00 3.32 0.00 0.00 57.90 61.44 2j0q n TYR 40 Cb 0.82 -2.55 0.02 0.00 -0.63 0.00 0.00 39.34 37.00 2j0q n TYR 40 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2j0q n LYS 41 N 7.22 -4.94 -1.29 2.98 5.02 -1.26 -2.09 118.16 123.80 2j0q n LYS 41 Ca 0.33 0.59 -0.10 0.00 -2.02 0.00 0.00 58.31 57.11 2j0q n LYS 41 Cb 0.22 -5.22 -0.04 0.00 -0.02 0.00 0.00 35.03 29.97 2j0q n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2j0q n ASN 42 N -2.97 -4.59 -4.49 4.39 3.02 0.76 -5.01 115.26 106.37 2j0q n ASN 42 Ca -0.18 0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2j0q n ASN 42 Cb 0.62 -2.98 0.25 0.00 -0.61 0.00 0.00 39.78 37.07 2j0q n ASN 42 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2j0q n ASP 43 N -0.17 -1.54 -4.66 6.41 -0.08 -0.89 -4.93 116.55 110.70 2j0q n ASP 43 Ca -0.10 -0.11 -0.27 0.00 -1.51 0.00 0.00 54.79 52.80 2j0q n ASP 43 Cb 0.39 -1.28 -0.10 0.00 2.34 0.00 0.00 41.12 42.47 2j0q n ASP 43 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2j0q s VAL 44 N -2.43 2.07 0.36 5.18 -7.23 -1.20 -4.12 120.40 113.04 2j0q s VAL 44 Ca 0.69 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.67 2j0q s VAL 44 Cb -0.25 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 33.61 2j0q s VAL 44 CO 0.65 0.00 1.33 -0.32 -0.31 0.00 0.00 175.10 176.45 2j0q s MET 45 N -3.77 4.18 -0.09 4.82 -2.45 -1.26 -4.24 119.30 116.49 2j0q s MET 45 Ca 0.36 2.25 0.03 0.00 -1.25 0.00 0.00 55.69 57.08 2j0q s MET 45 Cb 0.08 -2.95 -0.01 0.00 1.25 0.00 0.00 34.83 33.20 2j0q s MET 45 CO 0.19 -0.35 -0.18 0.42 1.05 0.00 0.00 175.02 176.16 2j0q s ILE 46 N -1.18 2.68 0.00 10.11 1.01 0.21 -5.02 121.20 129.01 2j0q s ILE 46 Ca 0.52 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2j0q s ILE 46 Cb -0.40 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2j0q s ILE 46 CO 0.53 0.55 -0.11 -0.13 0.00 0.00 0.00 174.94 175.79 2j0q s ARG 47 N 0.03 0.84 -0.01 2.79 0.52 -1.26 -1.50 118.95 120.36 2j0q s ARG 47 Ca -0.07 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2j0q s ARG 47 Cb -0.15 -0.81 0.01 0.00 0.52 0.00 0.00 34.95 34.52 2j0q s ARG 47 CO 0.05 0.22 -0.02 0.15 0.02 0.00 0.00 175.30 175.72 2j0q s LYS 48 N -0.44 0.27 0.08 3.54 1.02 -0.85 -5.00 119.74 118.37 2j0q s LYS 48 Ca 0.03 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.07 2j0q s LYS 48 Cb -0.05 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 2j0q s LYS 48 CO -0.00 -0.03 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.99 2j0q s GLU 49 N 0.42 1.16 0.03 1.68 2.02 -1.26 -0.18 118.70 122.57 2j0q s GLU 49 Ca -0.04 -1.08 -0.27 0.00 0.02 0.00 0.00 54.97 53.60 2j0q s GLU 49 Cb -0.07 -1.36 0.09 0.00 0.10 0.00 0.00 34.13 32.89 2j0q s GLU 49 CO -0.01 0.32 0.76 0.00 0.02 0.00 0.00 175.26 176.36 2j0q s ALA 50 N -1.07 -1.74 -0.14 5.21 0.00 -0.67 -4.98 121.76 118.37 2j0q s ALA 50 Ca 0.06 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2j0q s ALA 50 Cb -0.10 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 2j0q s ALA 50 CO 0.03 -0.63 -0.03 0.71 0.00 0.00 0.00 175.76 175.84 2j0q s TYR 51 N -2.88 3.05 0.24 0.00 2.02 -1.26 0.19 117.35 118.70 2j0q s TYR 51 Ca 0.01 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.61 2j0q s TYR 51 Cb -0.01 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 2j0q s TYR 51 CO -0.07 0.09 0.12 0.14 -1.57 0.00 0.00 175.55 174.26 2j0q s VAL 52 N 0.07 4.12 0.55 0.71 -7.23 0.20 -4.97 120.40 113.85 2j0q s VAL 52 Ca 0.00 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 2j0q s VAL 52 Cb -0.13 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.55 2j0q s VAL 52 CO 0.02 -0.30 1.00 -2.28 -0.31 0.00 0.00 175.10 173.24 2j0q s HIS 53 N -2.09 3.47 0.57 2.82 2.46 -1.26 -4.61 115.29 116.64 2j0q s HIS 53 Ca 0.32 1.42 0.27 0.00 0.47 0.00 0.00 55.06 57.53 2j0q s HIS 53 Cb -0.08 -2.79 1.58 0.00 -0.13 0.00 0.00 32.58 31.17 2j0q s HIS 53 CO 0.23 -0.52 2.10 1.57 -2.47 0.00 0.00 174.74 175.65 2j0q h LYS 54 N 0.49 0.00 -0.44 2.88 -0.00 -1.98 -0.37 116.57 117.15 2j0q h LYS 54 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.17 2j0q h LYS 54 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.40 2j0q h LYS 54 CO 0.61 0.00 0.18 0.66 -0.00 0.00 0.00 179.45 180.91 2j0q h SER 55 N 0.00 0.56 -0.06 7.07 4.64 -1.98 0.14 113.55 123.92 2j0q h SER 55 Ca 0.09 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2j0q h SER 55 Cb 0.46 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2j0q h SER 55 CO -0.00 0.50 -0.16 0.58 -0.87 0.00 0.00 176.83 176.88 2j0q h VAL 56 N 0.62 1.43 -0.70 0.95 2.07 -1.44 -2.47 116.25 116.71 2j0q h VAL 56 Ca 0.15 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.20 2j0q h VAL 56 Cb 0.11 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 2j0q h VAL 56 CO -0.02 0.42 0.41 0.24 0.02 0.00 0.00 177.57 178.65 2j0q h MET 57 N -0.28 0.75 -0.08 1.57 2.07 -1.31 -1.63 114.93 116.02 2j0q h MET 57 Ca -0.00 -0.05 -0.09 0.00 -2.07 0.00 0.00 59.70 57.49 2j0q h MET 57 Cb 0.77 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.32 2j0q h MET 57 CO 0.04 0.50 -0.37 1.49 1.07 0.00 0.00 176.91 179.63 2j0q h GLU 58 N 0.77 0.16 0.00 1.72 4.57 -0.75 -1.48 114.58 119.58 2j0q h GLU 58 Ca 0.30 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 2j0q h GLU 58 Cb 0.13 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2j0q h GLU 58 CO -0.16 0.51 -0.59 1.49 -1.18 0.00 0.00 179.01 179.09 2j0q h GLU 59 N 0.14 0.00 -0.10 1.92 4.57 -1.14 -2.74 114.58 117.23 2j0q h GLU 59 Ca 0.02 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.01 2j0q h GLU 59 Cb 0.72 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2j0q h GLU 59 CO 0.05 0.59 -0.65 1.25 -1.18 0.00 0.00 179.01 179.08 2j0q h LEU 60 N 0.00 0.74 -1.74 1.64 5.85 -0.61 -1.92 115.31 119.27 2j0q h LEU 60 Ca -0.01 -0.66 0.02 0.00 0.84 0.00 0.00 57.88 58.08 2j0q h LEU 60 Cb 1.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2j0q h LEU 60 CO 0.08 1.28 0.21 0.50 -0.34 0.00 0.00 178.44 180.17 2j0q h LYS 61 N 0.25 0.34 -0.31 1.25 3.64 -1.35 -1.35 116.57 119.05 2j0q h LYS 61 Ca -0.05 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 2j0q h LYS 61 Cb 1.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2j0q h LYS 61 CO 0.13 0.22 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.26 2j0q h ARG 62 N 0.35 0.67 -0.61 1.90 2.43 -1.31 -0.01 114.38 117.81 2j0q h ARG 62 Ca 0.12 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 2j0q h ARG 62 Cb 0.07 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2j0q h ARG 62 CO -0.03 0.90 0.12 0.82 -1.51 0.00 0.00 179.97 180.28 2j0q h ILE 63 N 0.43 1.25 -0.03 1.20 2.04 -0.67 0.43 117.51 122.15 2j0q h ILE 63 Ca 0.07 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2j0q h ILE 63 Cb 0.72 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2j0q h ILE 63 CO 0.05 0.35 -0.01 0.40 0.00 0.00 0.00 178.15 178.95 2j0q h ILE 64 N 0.92 1.29 -0.24 -0.67 1.08 -1.25 -2.72 117.51 115.91 2j0q h ILE 64 Ca 0.19 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.85 2j0q h ILE 64 Cb 0.37 1.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.88 2j0q h ILE 64 CO 0.01 0.23 -0.11 0.44 -0.69 0.00 0.00 178.15 178.03 2j0q h ASP 65 N -0.29 -0.37 0.70 1.72 3.32 -0.73 -2.80 116.42 117.98 2j0q h ASP 65 Ca 0.01 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2j0q h ASP 65 Cb 0.38 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2j0q h ASP 65 CO 0.00 -0.14 -0.22 0.44 -1.72 0.00 0.00 179.24 177.60 2j0q h ASP 66 N -0.08 0.00 1.20 6.45 3.32 -0.96 -2.44 116.42 123.91 2j0q h ASP 66 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2j0q h ASP 66 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2j0q h ASP 66 CO -0.29 0.22 -0.07 0.77 -1.72 0.00 0.00 179.24 178.14 2j0q h SER 67 N 0.00 0.00 -6.48 6.45 4.64 -1.20 -3.47 113.55 113.49 2j0q h SER 67 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2j0q h SER 67 Cb 0.63 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.63 2j0q h SER 67 CO 0.03 0.07 -0.83 -0.62 -0.87 0.00 0.00 176.83 174.61 2j0q n GLU 68 N -3.17 -4.07 0.16 4.77 1.02 -0.92 -4.87 120.64 113.55 2j0q n GLU 68 Ca 0.01 0.47 0.01 0.00 -0.02 0.00 0.00 57.16 57.63 2j0q n GLU 68 Cb 0.39 -5.06 0.25 0.00 -0.02 0.00 0.00 31.44 27.01 2j0q n GLU 68 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2j0q h ILE 69 N -1.81 1.30 0.00 -3.67 6.09 -1.85 -3.19 117.51 114.38 2j0q h ILE 69 Ca -0.60 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 61.10 2j0q h ILE 69 Cb 1.38 1.98 0.00 0.00 0.47 0.00 0.00 36.82 40.65 2j0q h ILE 69 CO 0.68 0.50 0.00 0.35 -3.07 0.00 0.00 178.15 176.61 2j0q n THR 70 N -3.83 0.35 0.84 2.19 -2.24 -1.26 -1.14 114.28 109.20 2j0q n THR 70 Ca -0.01 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 2j0q n THR 70 Cb 0.54 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 2j0q n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2j0q n LYS 71 N -1.13 0.10 -2.47 -0.78 4.01 -1.20 -5.01 118.16 111.68 2j0q n LYS 71 Ca 0.06 -0.03 -0.24 0.00 -0.51 0.00 0.00 58.31 57.59 2j0q n LYS 71 Cb 0.05 -1.51 0.09 0.00 -0.51 0.00 0.00 35.03 33.16 2j0q n LYS 71 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2j0q s GLU 72 N -3.08 1.83 -0.11 1.97 0.41 -0.29 -5.13 118.70 114.30 2j0q s GLU 72 Ca 0.06 -0.84 -0.22 0.00 -0.41 0.00 0.00 54.97 53.56 2j0q s GLU 72 Cb 0.16 -2.29 0.05 0.00 -1.78 0.00 0.00 34.13 30.27 2j0q s GLU 72 CO 0.87 -1.36 0.54 0.34 -0.49 0.00 0.00 175.26 175.15 2j0q s ASP 73 N -4.65 -0.51 0.00 -0.19 2.15 -1.26 -5.05 116.67 107.15 2j0q s ASP 73 Ca 0.64 0.75 0.28 0.00 0.43 0.00 0.00 52.55 54.66 2j0q s ASP 73 Cb -0.07 0.76 1.69 0.00 -0.30 0.00 0.00 42.92 44.99 2j0q s ASP 73 CO 0.44 -0.38 2.09 -0.90 -0.17 0.00 0.00 175.17 176.24 2j0q n ASP 74 N 1.84 0.02 -0.33 -0.34 5.68 -1.26 -4.51 116.55 117.65 2j0q n ASP 74 Ca -0.17 -1.12 0.23 0.00 -0.50 0.00 0.00 54.79 53.23 2j0q n ASP 74 Cb 0.56 -0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.99 2j0q n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j0q h ALA 75 N 3.89 1.70 -0.04 2.12 0.00 -1.96 0.17 119.26 125.14 2j0q h ALA 75 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2j0q h ALA 75 Cb 0.01 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2j0q h ALA 75 CO 0.00 -0.75 0.00 1.28 0.00 0.00 0.00 179.25 179.78 2j0q n LEU 76 N -5.33 2.76 -4.80 0.00 4.77 -1.26 -5.01 117.00 108.12 2j0q n LEU 76 Ca 0.31 -1.02 -0.30 0.00 -0.03 0.00 0.00 56.01 54.97 2j0q n LEU 76 Cb 1.02 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 42.20 2j0q n LEU 76 CO -0.01 0.48 0.71 0.26 -1.33 0.00 0.00 177.39 177.50 2j0q s TRP 77 N -1.73 2.78 0.34 -1.77 0.51 0.59 -4.47 118.94 115.20 2j0q s TRP 77 Ca 0.25 1.13 -0.28 0.00 -2.12 0.00 0.00 56.10 55.07 2j0q s TRP 77 Cb 0.18 -3.15 -0.12 0.00 -0.81 0.00 0.00 33.47 29.57 2j0q s TRP 77 CO 0.26 -1.84 1.33 -2.30 -0.51 0.00 0.00 176.95 173.88 2j0q n PRO 78 N -3.48 2.22 -2.87 4.98 -0.02 -1.26 -4.99 135.00 129.58 2j0q n PRO 78 Ca 0.07 0.78 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 2j0q n PRO 78 Cb 0.56 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 2j0q n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j0q s PRO 79 N -1.87 4.37 0.62 0.52 0.04 -1.26 -3.09 135.00 134.32 2j0q s PRO 79 Ca 0.55 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 2j0q s PRO 79 Cb -0.56 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.33 2j0q s PRO 79 CO 0.62 0.18 0.35 -2.30 0.04 0.00 0.00 177.00 175.89 2j0q n PRO 80 N 0.09 0.34 -1.66 0.56 -0.02 -1.26 -4.20 135.00 128.86 2j0q n PRO 80 Ca 0.03 0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 2j0q n PRO 80 Cb 0.52 -1.58 -0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2j0q n PRO 80 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2j0q n ASP 81 N 0.77 -0.17 -0.29 2.55 5.75 -1.20 -4.93 116.55 119.04 2j0q n ASP 81 Ca 0.10 -1.18 0.08 0.00 -0.01 0.00 0.00 54.79 53.78 2j0q n ASP 81 Cb 0.48 0.30 0.31 0.00 -1.03 0.00 0.00 41.12 41.18 2j0q n ASP 81 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2j0q h ARG 82 N 0.00 0.82 0.00 0.11 2.47 -1.99 -1.89 114.38 113.90 2j0q h ARG 82 Ca -0.03 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2j0q h ARG 82 Cb 0.12 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2j0q h ARG 82 CO 0.04 0.54 -0.19 0.28 0.56 0.00 0.00 179.97 181.21 2j0q h VAL 83 N 0.85 0.81 0.00 2.04 2.07 -1.96 -3.44 116.25 116.62 2j0q h VAL 83 Ca 0.43 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2j0q h VAL 83 Cb 0.50 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2j0q h VAL 83 CO -0.20 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.19 2j0q n GLY 84 N -0.65 1.15 3.43 2.17 0.00 -0.71 -4.77 105.19 105.81 2j0q n GLY 84 Ca -0.02 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 2j0q n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j0q s ARG 85 N -1.06 1.56 -0.07 1.61 3.52 -0.50 -3.23 118.95 120.78 2j0q s ARG 85 Ca 0.00 -1.62 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 2j0q s ARG 85 Cb 0.00 -1.75 0.02 0.00 -1.56 0.00 0.00 34.95 31.66 2j0q s ARG 85 CO 0.00 0.35 -0.06 -0.65 -0.81 0.00 0.00 175.30 174.13 2j0q s GLN 86 N -3.08 1.17 -0.11 5.12 -0.21 0.62 -2.24 119.66 120.92 2j0q s GLN 86 Ca 0.24 -0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.48 2j0q s GLN 86 Cb -0.06 -1.19 -0.00 0.00 1.00 0.00 0.00 33.01 32.75 2j0q s GLN 86 CO 0.12 -0.15 -0.22 -1.21 -2.12 0.00 0.00 175.29 171.70 2j0q s GLU 87 N 1.29 3.10 -0.14 2.91 2.02 -0.67 -1.48 118.70 125.73 2j0q s GLU 87 Ca -0.04 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2j0q s GLU 87 Cb -0.14 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.74 2j0q s GLU 87 CO -0.02 0.15 -0.11 -1.17 0.02 0.00 0.00 175.26 174.12 2j0q s LEU 88 N 0.43 1.52 -0.06 1.80 2.96 -0.65 -0.60 118.68 124.08 2j0q s LEU 88 Ca -0.16 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2j0q s LEU 88 Cb -0.17 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2j0q s LEU 88 CO 0.07 -0.09 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.08 2j0q s GLU 89 N 1.57 2.46 -0.05 1.98 2.12 -0.49 0.24 118.70 126.53 2j0q s GLU 89 Ca 0.05 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 2j0q s GLU 89 Cb -0.13 -2.04 0.03 0.00 0.26 0.00 0.00 34.13 32.26 2j0q s GLU 89 CO -0.10 0.31 0.09 0.42 -0.54 0.00 0.00 175.26 175.44 2j0q s ILE 90 N -0.01 -0.14 -0.49 -3.70 1.01 0.15 -1.32 121.20 116.70 2j0q s ILE 90 Ca -0.07 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 2j0q s ILE 90 Cb -0.14 -0.18 0.12 0.00 0.01 0.00 0.00 42.46 42.27 2j0q s ILE 90 CO 0.04 0.16 0.37 -0.69 0.00 0.00 0.00 174.94 174.82 2j0q s VAL 91 N 2.06 4.29 -0.88 2.92 1.01 -0.43 -0.73 120.40 128.64 2j0q s VAL 91 Ca 0.03 -1.83 0.01 0.00 0.00 0.00 0.00 61.98 60.18 2j0q s VAL 91 Cb -0.12 -3.82 0.29 0.00 0.00 0.00 0.00 36.38 32.74 2j0q s VAL 91 CO -0.04 -0.79 1.24 0.00 0.00 0.00 0.00 175.10 175.51 2j0q n ILE 92 N 4.86 4.25 0.00 2.22 3.06 -1.07 -1.02 119.36 131.66 2j0q n ILE 92 Ca -0.07 -5.68 0.00 0.00 -2.50 0.00 0.00 62.75 54.50 2j0q n ILE 92 Cb 0.41 -1.95 0.00 0.00 0.54 0.00 0.00 39.64 38.64 2j0q n ILE 92 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2j0q n GLY 93 N 0.82 1.06 0.12 4.50 0.00 -0.79 -3.87 105.19 107.04 2j0q n GLY 93 Ca 0.30 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 2j0q n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2j0q h ASP 94 N 0.00 0.52 -3.30 1.61 3.04 -1.94 -3.47 116.42 112.89 2j0q h ASP 94 Ca 0.00 -0.94 -0.57 0.00 -3.24 0.00 0.00 57.03 52.27 2j0q h ASP 94 Cb 0.00 -0.17 0.13 0.00 -1.04 0.00 0.00 39.33 38.25 2j0q h ASP 94 CO 0.00 1.42 0.29 -0.62 -2.04 0.00 0.00 179.24 178.30 2j0q n GLU 95 N -4.08 1.53 -3.40 4.15 1.02 -1.25 -5.00 120.64 113.61 2j0q n GLU 95 Ca -0.14 0.55 -0.26 0.00 -0.02 0.00 0.00 57.16 57.29 2j0q n GLU 95 Cb 0.85 -2.19 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 2j0q n GLU 95 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2j0q s HIS 96 N -1.27 0.64 0.25 -0.32 2.46 -1.26 -2.61 115.29 113.18 2j0q s HIS 96 Ca 0.64 -1.75 0.02 0.00 0.47 0.00 0.00 55.06 54.44 2j0q s HIS 96 Cb -0.52 -0.80 -0.03 0.00 -0.13 0.00 0.00 32.58 31.09 2j0q s HIS 96 CO 0.56 -0.86 0.41 0.96 -2.47 0.00 0.00 174.74 173.34 2j0q s ILE 97 N 0.73 5.21 -0.26 0.89 -5.25 0.09 -4.95 121.20 117.66 2j0q s ILE 97 Ca 0.24 -0.68 -0.25 0.00 -0.99 0.00 0.00 60.65 58.96 2j0q s ILE 97 Cb -0.11 -3.82 0.07 0.00 2.95 0.00 0.00 42.46 41.55 2j0q s ILE 97 CO -0.07 -0.33 0.74 -0.55 -1.79 0.00 0.00 174.94 172.93 2j0q s SER 98 N -3.73 -0.73 0.00 4.36 0.15 -1.26 -0.67 113.70 111.82 2j0q s SER 98 Ca 0.37 1.37 0.04 0.00 0.70 0.00 0.00 55.95 58.43 2j0q s SER 98 Cb -0.10 1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 65.58 2j0q s SER 98 CO 0.31 -0.26 -0.13 -0.36 1.20 0.00 0.00 173.24 174.00 2j0q s PHE 99 N 0.29 1.17 -0.03 3.44 0.08 0.14 -4.78 117.98 118.28 2j0q s PHE 99 Ca -0.00 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 2j0q s PHE 99 Cb -0.05 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.69 2j0q s PHE 99 CO 0.01 -0.01 0.02 0.99 -0.10 0.00 0.00 175.22 176.13 2j0q s THR 100 N -0.42 0.08 0.23 0.64 2.01 -1.26 -1.63 115.64 115.29 2j0q s THR 100 Ca 0.04 0.19 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 2j0q s THR 100 Cb -0.06 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.23 2j0q s THR 100 CO -0.00 0.15 0.49 0.28 -0.69 0.00 0.00 174.62 174.85 2j0q s THR 101 N 1.35 0.01 0.82 -0.82 -1.32 -0.55 -4.85 115.64 110.28 2j0q s THR 101 Ca -0.05 -1.25 -0.14 0.00 -1.21 0.00 0.00 61.69 59.04 2j0q s THR 101 Cb -0.13 -2.04 0.21 0.00 -1.51 0.00 0.00 72.50 69.03 2j0q s THR 101 CO -0.03 -0.05 0.63 -1.54 -2.21 0.00 0.00 174.62 171.43 2j0q n SER 102 N -0.37 -2.30 -4.66 8.08 3.41 -1.18 0.23 113.62 116.83 2j0q n SER 102 Ca -0.04 -0.78 -0.29 0.00 -0.26 0.00 0.00 58.87 57.50 2j0q n SER 102 Cb 0.62 -0.62 0.18 0.00 -0.26 0.00 0.00 64.21 64.12 2j0q n SER 102 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2j0q s LYS 103 N -4.46 0.35 -0.11 4.33 1.02 -1.23 -4.13 119.74 115.52 2j0q s LYS 103 Ca 0.43 0.59 -0.01 0.00 0.02 0.00 0.00 55.97 57.01 2j0q s LYS 103 Cb -0.05 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.56 2j0q s LYS 103 CO 0.34 -2.81 -0.05 0.42 -0.92 0.00 0.00 175.35 172.33 2j0q s ILE 104 N -2.90 0.87 -0.03 2.17 1.01 -1.26 -5.03 121.20 116.03 2j0q s ILE 104 Ca 0.65 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.84 2j0q s ILE 104 Cb -0.19 -0.94 -0.19 0.00 0.01 0.00 0.00 42.46 41.15 2j0q s ILE 104 CO 0.58 0.32 1.15 1.23 0.00 0.00 0.00 174.94 178.22 2j0q h GLY 105 N 8.21 -0.12 -2.63 6.18 0.00 -1.98 -3.49 103.07 109.24 2j0q h GLY 105 Ca -0.27 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.19 2j0q h GLY 105 CO 0.37 -0.04 0.35 -1.35 0.00 0.00 0.00 176.54 175.87 2j0q s SER 106 N -5.57 -0.33 0.00 0.19 1.04 -1.26 -4.99 113.70 102.77 2j0q s SER 106 Ca -0.15 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2j0q s SER 106 Cb 0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2j0q s SER 106 CO 0.61 -0.97 0.80 0.18 0.98 0.00 0.00 173.24 174.84 2j0q n LEU 107 N -0.40 0.00 -0.04 2.42 4.77 -1.26 -0.47 117.00 122.03 2j0q n LEU 107 Ca -0.09 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2j0q n LEU 107 Cb 0.62 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 2j0q n LEU 107 CO 0.13 -0.31 0.52 0.40 -1.33 0.00 0.00 177.39 176.79 2j0q h ILE 108 N 0.00 1.54 -0.87 -0.08 2.04 -1.99 -2.86 117.51 115.29 2j0q h ILE 108 Ca 0.00 -1.67 0.07 0.00 1.00 0.00 0.00 64.86 64.26 2j0q h ILE 108 Cb 0.30 2.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 2j0q h ILE 108 CO 0.00 0.43 0.57 0.44 0.00 0.00 0.00 178.15 179.59 2j0q h ASP 109 N -0.73 0.84 -0.94 1.72 3.32 -1.17 -0.46 116.42 119.01 2j0q h ASP 109 Ca -0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2j0q h ASP 109 Cb 0.71 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 2j0q h ASP 109 CO 0.00 0.53 0.61 0.58 -1.72 0.00 0.00 179.24 179.24 2j0q h VAL 110 N 0.95 1.24 0.00 -1.35 2.07 -1.57 -2.42 116.25 115.17 2j0q h VAL 110 Ca 0.38 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2j0q h VAL 110 Cb 0.27 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2j0q h VAL 110 CO -0.15 0.24 -0.22 0.78 0.02 0.00 0.00 177.57 178.24 2j0q h ASN 111 N 1.27 0.00 0.76 0.57 4.21 -0.90 -2.70 115.58 118.79 2j0q h ASN 111 Ca 0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.85 2j0q h ASN 111 Cb -0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.07 2j0q h ASN 111 CO -0.07 0.15 0.00 0.00 -1.29 0.00 0.00 177.43 176.22 2j0q n GLN 112 N -3.11 0.18 -2.15 0.81 1.13 -0.33 -4.90 117.38 109.00 2j0q n GLN 112 Ca 0.03 0.03 -0.31 0.00 -1.94 0.00 0.00 57.00 54.80 2j0q n GLN 112 Cb 0.59 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.43 2j0q n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2j0q s SER 113 N -2.81 6.41 0.19 1.08 1.04 -0.93 -4.96 113.70 113.71 2j0q s SER 113 Ca 0.19 1.46 0.24 0.00 0.48 0.00 0.00 55.95 58.32 2j0q s SER 113 Cb 0.18 -2.47 0.91 0.00 0.10 0.00 0.00 66.02 64.74 2j0q s SER 113 CO 0.47 -0.73 1.73 0.29 0.98 0.00 0.00 173.24 175.98 2j0q n LYS 114 N -2.19 0.18 -3.52 4.02 4.76 -1.26 -3.78 118.16 116.37 2j0q n LYS 114 Ca 0.06 0.29 -0.27 0.00 -2.87 0.00 0.00 58.31 55.52 2j0q n LYS 114 Cb 0.54 -1.78 -0.11 0.00 -1.84 0.00 0.00 35.03 31.85 2j0q n LYS 114 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2j0q s ASP 115 N -4.12 2.33 0.01 4.39 3.68 -1.26 -5.01 116.67 116.69 2j0q s ASP 115 Ca 0.08 -3.20 -0.25 0.00 2.13 0.00 0.00 52.55 51.31 2j0q s ASP 115 Cb 0.11 -0.73 -0.17 0.00 -1.45 0.00 0.00 42.92 40.68 2j0q s ASP 115 CO 0.47 -0.16 1.32 1.55 0.13 0.00 0.00 175.17 178.48 2j0q h PRO 116 N 5.67 -0.23 -0.95 4.34 0.13 -1.70 -2.04 132.00 137.22 2j0q h PRO 116 Ca 0.22 0.02 0.29 0.00 -0.87 0.00 0.00 66.00 65.66 2j0q h PRO 116 Cb 0.88 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 31.91 2j0q h PRO 116 CO 0.45 0.09 0.38 0.93 -0.23 0.00 0.00 178.00 179.62 2j0q h GLU 117 N -0.58 0.21 0.17 0.86 3.07 -1.94 0.31 114.58 116.68 2j0q h GLU 117 Ca -0.02 -0.01 -0.31 0.00 -0.50 0.00 0.00 59.36 58.51 2j0q h GLU 117 Cb 0.43 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2j0q h GLU 117 CO 0.04 0.14 -1.45 0.78 -1.40 0.00 0.00 179.01 177.12 2j0q h GLY 118 N 0.21 0.42 2.00 -3.84 0.00 -1.97 -3.21 103.07 96.69 2j0q h GLY 118 Ca 0.66 -1.07 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2j0q h GLY 118 CO -0.67 0.94 -0.41 1.41 0.00 0.00 0.00 176.54 177.81 2j0q h LEU 119 N 0.10 0.00 -0.04 3.11 3.38 -0.53 -2.65 115.31 118.69 2j0q h LEU 119 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2j0q h LEU 119 Cb 2.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 2j0q h LEU 119 CO 0.21 0.41 0.02 -0.09 0.09 0.00 0.00 178.44 179.09 2j0q h ARG 120 N 0.00 0.05 -0.91 1.13 2.43 -1.06 0.36 114.38 116.39 2j0q h ARG 120 Ca -0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2j0q h ARG 120 Cb 0.76 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 2j0q h ARG 120 CO 0.05 0.03 0.59 0.28 -1.51 0.00 0.00 179.97 179.41 2j0q h VAL 121 N 0.05 1.07 0.42 0.20 2.07 -1.48 -1.18 116.25 117.40 2j0q h VAL 121 Ca 0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2j0q h VAL 121 Cb -0.01 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 2j0q h VAL 121 CO -0.00 0.19 -0.20 0.15 0.02 0.00 0.00 177.57 177.72 2j0q h PHE 122 N 1.03 -0.53 -0.86 1.57 3.57 -1.30 -2.40 116.94 118.03 2j0q h PHE 122 Ca 0.39 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.09 2j0q h PHE 122 Cb 0.20 0.17 -0.13 0.00 2.79 0.00 0.00 35.95 38.98 2j0q h PHE 122 CO -0.00 -0.20 0.28 -0.92 -2.23 0.00 0.00 178.31 175.24 2j0q h TYR 123 N -0.92 0.45 0.00 0.41 3.20 -0.46 0.12 116.97 119.77 2j0q h TYR 123 Ca -0.06 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 2j0q h TYR 123 Cb 0.56 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2j0q h TYR 123 CO 0.02 -0.12 -0.91 1.88 -1.64 0.00 0.00 178.16 177.39 2j0q h TYR 124 N 0.29 0.00 -0.08 -3.82 0.05 -1.31 -3.12 116.97 108.98 2j0q h TYR 124 Ca 0.53 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.22 2j0q h TYR 124 Cb 1.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2j0q h TYR 124 CO -0.22 0.65 -0.28 1.25 -1.05 0.00 0.00 178.16 178.51 2j0q h LEU 125 N 0.00 0.39 -0.45 3.88 5.85 -0.78 -3.03 115.31 121.16 2j0q h LEU 125 Ca -0.06 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.10 2j0q h LEU 125 Cb 1.55 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 2j0q h LEU 125 CO 0.07 0.94 0.14 0.58 -0.34 0.00 0.00 178.44 179.83 2j0q h VAL 126 N -0.14 0.82 -0.36 1.05 2.07 -0.89 -0.30 116.25 118.50 2j0q h VAL 126 Ca -0.01 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2j0q h VAL 126 Cb 0.91 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2j0q h VAL 126 CO 0.06 0.05 -0.10 1.56 0.02 0.00 0.00 177.57 179.16 2j0q h GLN 127 N 0.30 -0.02 0.00 1.57 4.20 -1.62 -2.21 115.11 117.32 2j0q h GLN 127 Ca 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 2j0q h GLN 127 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2j0q h GLN 127 CO -0.24 -0.01 -0.11 -0.44 -0.67 0.00 0.00 178.83 177.36 2j0q h ASP 128 N -0.02 0.00 0.06 1.46 3.32 -0.97 -0.88 116.42 119.39 2j0q h ASP 128 Ca 0.17 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2j0q h ASP 128 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2j0q h ASP 128 CO -0.38 0.11 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.15 2j0q h LEU 129 N 0.00 -0.07 -0.67 1.55 3.38 -0.75 -2.82 115.31 115.93 2j0q h LEU 129 Ca -0.00 -0.56 0.14 0.00 0.09 0.00 0.00 57.88 57.55 2j0q h LEU 129 Cb 0.19 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 2j0q h LEU 129 CO 0.01 0.58 -0.15 0.11 0.09 0.00 0.00 178.44 179.08 2j0q h LYS 130 N -0.80 0.01 -0.92 1.13 1.57 -1.17 0.22 116.57 116.62 2j0q h LYS 130 Ca -0.01 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2j0q h LYS 130 Cb 0.62 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 2j0q h LYS 130 CO 0.01 0.00 0.54 0.00 -0.57 0.00 0.00 179.45 179.44 2j0q h LEU 132 N 0.85 -0.23 -0.51 0.00 5.85 -0.98 -2.82 115.31 117.46 2j0q h LEU 132 Ca 0.46 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2j0q h LEU 132 Cb 0.50 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2j0q h LEU 132 CO -0.28 0.23 0.21 0.58 -0.34 0.00 0.00 178.44 178.84 2j0q h VAL 133 N -0.77 0.86 -0.77 1.05 2.07 -0.55 -0.05 116.25 118.09 2j0q h VAL 133 Ca -0.03 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2j0q h VAL 133 Cb 0.51 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2j0q h VAL 133 CO 0.05 0.07 0.30 -0.26 0.02 0.00 0.00 177.57 177.75 2j0q h PHE 134 N 0.41 1.17 -0.93 1.57 0.04 0.02 -0.23 116.94 118.99 2j0q h PHE 134 Ca 0.24 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 2j0q h PHE 134 Cb 0.23 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 2j0q h PHE 134 CO -0.14 0.89 0.54 0.77 -0.60 0.00 0.00 178.31 179.77 2j0q h SER 135 N 1.12 1.14 0.51 2.17 0.02 -1.07 0.14 113.55 117.59 2j0q h SER 135 Ca 0.26 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2j0q h SER 135 Cb 0.22 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.47 2j0q h SER 135 CO -0.02 0.88 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.24 2j0q h LEU 136 N 1.29 -0.58 -2.26 5.07 3.38 -0.39 -2.81 115.31 119.00 2j0q h LEU 136 Ca 0.33 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2j0q h LEU 136 Cb -0.03 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2j0q h LEU 136 CO -0.06 -0.17 -0.05 0.16 0.09 0.00 0.00 178.44 178.41 2j0q h ILE 137 N -1.18 0.31 -0.61 1.22 3.07 -1.12 -2.45 117.51 116.74 2j0q h ILE 137 Ca -0.07 -0.28 -0.09 0.00 1.55 0.00 0.00 64.86 65.97 2j0q h ILE 137 Cb 0.53 1.21 -0.02 0.00 -0.27 0.00 0.00 36.82 38.27 2j0q h ILE 137 CO 0.12 0.05 0.04 1.23 -1.05 0.00 0.00 178.15 178.53 2j0q h GLY 138 N 0.64 1.12 0.96 0.16 0.00 -0.72 -2.63 103.07 102.59 2j0q h GLY 138 Ca -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.48 2j0q h GLY 138 CO 0.01 0.72 -1.20 1.04 0.00 0.00 0.00 176.54 177.10 2j0q n LEU 139 N -4.20 0.83 -0.07 3.11 4.77 -1.02 -2.60 117.00 117.82 2j0q n LEU 139 Ca 0.03 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 2j0q n LEU 139 Cb 0.32 -0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.71 2j0q n LEU 139 CO 0.43 -0.04 0.53 1.57 -1.33 0.00 0.00 177.39 178.55 2j0q n HIS 140 N -2.75 0.00 0.00 -1.77 -0.00 -0.95 -4.63 115.22 105.11 2j0q n HIS 140 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2j0q n HIS 140 Cb 0.67 -0.22 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 2j0q n HIS 140 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2j0q n PHE 141 N -1.25 0.00 -2.31 1.57 3.72 -1.00 -5.06 117.46 113.14 2j0q n PHE 141 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 2j0q n PHE 141 Cb 0.34 0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 2j0q n PHE 141 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2j0q s LYS 142 N -1.21 4.26 0.05 -1.08 2.20 -1.07 -4.99 119.74 117.90 2j0q s LYS 142 Ca 0.00 1.83 -0.31 0.00 -0.36 0.00 0.00 55.97 57.14 2j0q s LYS 142 Cb 0.00 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2j0q s LYS 142 CO 0.00 -0.65 1.28 0.42 -0.36 0.00 0.00 175.35 176.04 2j0q s ILE 143 N 3.06 3.81 0.07 5.43 1.09 -1.26 -4.79 121.20 128.61 2j0q s ILE 143 Ca 0.60 1.27 -0.31 0.00 -1.10 0.00 0.00 60.65 61.12 2j0q s ILE 143 Cb -0.27 -3.82 -0.10 0.00 -1.06 0.00 0.00 42.46 37.22 2j0q s ILE 143 CO 0.22 0.07 1.93 1.17 -0.10 0.00 0.00 174.94 178.23 2j0q n LYS 144 N 4.28 2.84 0.21 2.79 4.81 -1.26 -4.87 118.16 126.96 2j0q n LYS 144 Ca 0.10 1.04 0.05 0.00 -0.87 0.00 0.00 58.31 58.63 2j0q n LYS 144 Cb 0.45 -2.97 0.45 0.00 0.02 0.00 0.00 35.03 32.98 2j0q n LYS 144 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2j0q h PRO 145 N 9.87 0.00 0.00 1.64 0.11 -2.03 -3.57 132.00 138.03 2j0q h PRO 145 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2j0q h PRO 145 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2j0q h PRO 145 CO 0.94 0.27 0.00 -0.89 -0.21 0.00 0.00 178.00 178.11