#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4q s GLN 2 N 0.00 0.05 -0.09 0.38 -0.21 -1.26 -4.27 119.66 114.27 2x4q s GLN 2 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.52 2x4q s GLN 2 Cb 0.00 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 2x4q s GLN 2 CO 0.00 -0.56 -0.07 1.03 -2.12 0.00 0.00 175.29 173.57 2x4q s ARG 3 N 2.19 2.93 0.05 2.91 0.52 0.17 -4.92 118.95 122.81 2x4q s ARG 3 Ca 0.04 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 2x4q s ARG 3 Cb -0.15 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 2x4q s ARG 3 CO -0.08 0.57 0.92 0.99 0.02 0.00 0.00 175.30 177.71 2x4q s THR 4 N -0.54 4.69 0.27 0.02 2.01 -1.26 -2.30 115.64 118.53 2x4q s THR 4 Ca 0.08 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.74 2x4q s THR 4 Cb -0.12 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.02 2x4q s THR 4 CO 0.02 0.27 1.51 -2.16 -0.69 0.00 0.00 174.62 173.57 2x4q s PRO 5 N 0.36 4.20 0.32 4.92 0.04 -1.26 -4.34 135.00 139.24 2x4q s PRO 5 Ca 0.47 2.43 -0.14 0.00 0.04 0.00 0.00 61.00 63.80 2x4q s PRO 5 Cb -0.22 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 2x4q s PRO 5 CO 0.27 -0.52 0.72 0.15 0.04 0.00 0.00 177.00 177.66 2x4q s LYS 6 N -0.40 3.95 -0.04 4.56 1.02 0.11 -4.88 119.74 124.06 2x4q s LYS 6 Ca 0.61 0.60 0.01 0.00 0.02 0.00 0.00 55.97 57.21 2x4q s LYS 6 Cb -0.45 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2x4q s LYS 6 CO 0.45 0.15 -0.02 0.42 -0.92 0.00 0.00 175.35 175.43 2x4q s ILE 7 N -2.02 0.37 -0.04 2.17 1.01 -1.26 -1.41 121.20 120.02 2x4q s ILE 7 Ca 0.53 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.19 2x4q s ILE 7 Cb -0.10 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 41.93 2x4q s ILE 7 CO 0.20 0.20 -0.11 -1.10 0.00 0.00 0.00 174.94 174.12 2x4q s GLN 8 N 1.06 1.25 -0.19 2.79 -0.21 -0.47 -5.00 119.66 118.89 2x4q s GLN 8 Ca -0.09 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.92 2x4q s GLN 8 Cb -0.14 -1.11 0.01 0.00 1.00 0.00 0.00 33.01 32.77 2x4q s GLN 8 CO -0.01 0.10 -0.14 0.08 -2.12 0.00 0.00 175.29 173.20 2x4q s VAL 9 N 0.33 2.54 0.14 1.09 1.01 -1.26 -1.51 120.40 122.74 2x4q s VAL 9 Ca -0.06 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 2x4q s VAL 9 Cb -0.11 -2.11 0.07 0.00 0.00 0.00 0.00 36.38 34.23 2x4q s VAL 9 CO 0.01 0.50 0.70 -0.72 0.00 0.00 0.00 175.10 175.60 2x4q s TYR 10 N 1.31 -0.42 0.26 5.22 -0.85 -0.92 -4.47 117.35 117.49 2x4q s TYR 10 Ca 0.04 0.18 -0.02 0.00 -0.52 0.00 0.00 57.07 56.76 2x4q s TYR 10 Cb -0.14 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 2x4q s TYR 10 CO -0.09 -0.85 0.48 -1.54 -1.52 0.00 0.00 175.55 172.03 2x4q s SER 11 N -2.73 6.38 0.07 -0.18 1.04 -1.26 0.40 113.70 117.42 2x4q s SER 11 Ca 0.04 0.50 -0.20 0.00 0.48 0.00 0.00 55.95 56.77 2x4q s SER 11 Cb -0.02 -2.05 -0.10 0.00 0.10 0.00 0.00 66.02 63.95 2x4q s SER 11 CO -0.08 -0.15 1.49 -0.09 0.98 0.00 0.00 173.24 175.39 2x4q h ARG 12 N 1.58 0.37 -5.92 4.02 2.43 -1.43 -3.45 114.38 111.97 2x4q h ARG 12 Ca -0.48 -0.12 -0.57 0.00 -0.81 0.00 0.00 59.98 57.99 2x4q h ARG 12 Cb 1.20 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.63 2x4q h ARG 12 CO 0.66 0.58 -0.53 -1.01 -1.51 0.00 0.00 179.97 178.16 2x4q s HIS 13 N -4.91 2.60 0.27 2.20 3.76 -1.26 -5.03 115.29 112.92 2x4q s HIS 13 Ca -0.14 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 53.92 2x4q s HIS 13 Cb 0.07 -1.84 -0.13 0.00 1.11 0.00 0.00 32.58 31.78 2x4q s HIS 13 CO 0.74 0.26 1.33 -2.30 -0.85 0.00 0.00 174.74 173.92 2x4q n PRO 14 N -1.17 1.98 -2.10 8.40 -0.02 -1.26 -4.85 135.00 135.98 2x4q n PRO 14 Ca -0.02 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2x4q n PRO 14 Cb 0.64 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2x4q n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4q s ALA 15 N -0.45 2.72 -0.22 3.55 0.00 -1.26 -4.96 121.76 121.13 2x4q s ALA 15 Ca 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 2x4q s ALA 15 Cb -0.64 -4.08 0.01 0.00 0.00 0.00 0.00 23.12 18.41 2x4q s ALA 15 CO 0.54 -2.94 -0.08 -1.21 0.00 0.00 0.00 175.76 172.08 2x4q s GLU 16 N 5.87 3.09 0.34 0.00 2.02 -1.26 -5.08 118.70 123.68 2x4q s GLU 16 Ca 0.71 -0.80 -0.28 0.00 0.02 0.00 0.00 54.97 54.62 2x4q s GLU 16 Cb -0.17 -2.92 -0.12 0.00 0.10 0.00 0.00 34.13 31.02 2x4q s GLU 16 CO 0.30 -0.28 1.40 0.09 0.02 0.00 0.00 175.26 176.78 2x4q n ASN 17 N 4.72 3.24 -0.06 -0.19 3.02 -1.26 -1.57 115.26 123.15 2x4q n ASN 17 Ca -0.18 1.21 -0.01 0.00 -0.03 0.00 0.00 54.58 55.57 2x4q n ASN 17 Cb 0.49 -1.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.12 2x4q n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4q n GLY 18 N 0.87 0.41 3.30 7.41 0.00 -0.65 -4.99 105.19 111.55 2x4q n GLY 18 Ca 0.04 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2x4q n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4q s LYS 19 N -0.84 2.60 0.31 1.61 1.02 -0.61 -5.02 119.74 118.81 2x4q s LYS 19 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 2x4q s LYS 19 Cb 0.00 -2.22 -0.12 0.00 -0.52 0.00 0.00 37.83 34.97 2x4q s LYS 19 CO 0.00 0.40 1.50 -1.13 -0.92 0.00 0.00 175.35 175.20 2x4q n SER 20 N 2.91 3.51 -2.61 2.83 3.41 -1.26 -4.08 113.62 118.32 2x4q n SER 20 Ca -0.17 1.17 -0.09 0.00 -0.26 0.00 0.00 58.87 59.51 2x4q n SER 20 Cb 0.52 -1.56 0.01 0.00 -0.26 0.00 0.00 64.21 62.93 2x4q n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2x4q n ASN 21 N 1.67 -1.80 -4.08 4.04 2.85 0.23 -4.98 115.26 113.18 2x4q n ASN 21 Ca 0.07 -2.47 -0.25 0.00 -0.11 0.00 0.00 54.58 51.82 2x4q n ASN 21 Cb 0.36 3.06 -0.16 0.00 1.24 0.00 0.00 39.78 44.28 2x4q n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2x4q s PHE 22 N -3.07 1.60 -0.35 1.20 0.08 -1.26 0.20 117.98 116.37 2x4q s PHE 22 Ca 0.17 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 2x4q s PHE 22 Cb -0.03 -1.11 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2x4q s PHE 22 CO 0.13 -0.22 0.25 -1.17 -0.10 0.00 0.00 175.22 174.11 2x4q s LEU 23 N 0.32 4.62 0.00 -0.37 2.96 0.16 -0.94 118.68 125.44 2x4q s LEU 23 Ca -0.09 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2x4q s LEU 23 Cb -0.13 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 2x4q s LEU 23 CO 0.03 -0.27 0.16 0.20 -1.32 0.00 0.00 176.35 175.15 2x4q s ASN 24 N 1.72 6.19 -0.20 3.68 0.01 0.16 -1.71 114.94 124.79 2x4q s ASN 24 Ca 0.06 0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 52.47 2x4q s ASN 24 Cb -0.18 -1.90 0.06 0.00 0.41 0.00 0.00 41.25 39.64 2x4q s ASN 24 CO 0.10 0.25 0.01 0.00 -1.51 0.00 0.00 177.10 175.96 2x4q s TYR 26 N 1.75 3.22 -0.15 0.00 5.04 -0.57 -0.15 117.35 126.50 2x4q s TYR 26 Ca -0.02 -0.43 -0.04 0.00 -2.44 0.00 0.00 57.07 54.15 2x4q s TYR 26 Cb -0.17 -2.47 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 2x4q s TYR 26 CO -0.07 -0.45 -0.02 0.14 -1.34 0.00 0.00 175.55 173.80 2x4q s VAL 27 N 1.68 4.02 0.20 3.14 -7.23 -0.74 -1.37 120.40 120.10 2x4q s VAL 27 Ca 0.05 -0.32 -0.08 0.00 -1.81 0.00 0.00 61.98 59.83 2x4q s VAL 27 Cb -0.18 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 2x4q s VAL 27 CO 0.09 0.51 0.30 -0.94 -0.31 0.00 0.00 175.10 174.75 2x4q s SER 28 N 0.16 0.04 -1.38 4.85 1.04 -0.50 -1.29 113.70 116.61 2x4q s SER 28 Ca -0.01 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2x4q s SER 28 Cb -0.13 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2x4q s SER 28 CO 0.02 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2x4q n GLY 29 N -0.28 1.10 3.82 7.32 0.00 -0.69 0.08 105.19 116.53 2x4q n GLY 29 Ca -0.03 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 2x4q n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x4q s PHE 30 N -2.54 3.20 -0.28 1.61 -0.71 -1.13 -4.16 117.98 113.98 2x4q s PHE 30 Ca 0.00 -0.00 -0.19 0.00 -1.04 0.00 0.00 56.93 55.70 2x4q s PHE 30 Cb 0.00 -1.53 0.10 0.00 -1.21 0.00 0.00 43.02 40.38 2x4q s PHE 30 CO 0.00 0.52 0.80 -1.58 -1.34 0.00 0.00 175.22 173.62 2x4q s HIS 31 N -1.78 -0.83 0.76 3.49 2.46 -0.97 -0.14 115.29 118.28 2x4q s HIS 31 Ca 0.32 1.75 -0.13 0.00 0.47 0.00 0.00 55.06 57.47 2x4q s HIS 31 Cb -0.10 0.47 0.19 0.00 -0.13 0.00 0.00 32.58 33.01 2x4q s HIS 31 CO 0.24 -0.41 0.63 -0.35 -2.47 0.00 0.00 174.74 172.38 2x4q n PRO 32 N 3.60 -2.56 0.09 2.88 -0.04 -1.26 -0.65 135.00 137.06 2x4q n PRO 32 Ca -0.18 -1.01 0.13 0.00 -0.04 0.00 0.00 63.50 62.40 2x4q n PRO 32 Cb 0.58 -1.01 0.44 0.00 -0.04 0.00 0.00 33.50 33.46 2x4q n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2x4q n SER 33 N -4.23 0.70 -4.59 3.54 3.41 -1.26 -4.79 113.62 106.40 2x4q n SER 33 Ca 0.09 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.85 2x4q n SER 33 Cb 0.35 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 2x4q n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2x4q s ASP 34 N -4.31 5.36 -0.03 4.04 1.01 -1.26 -4.94 116.67 116.54 2x4q s ASP 34 Ca 0.11 1.54 -0.04 0.00 0.71 0.00 0.00 52.55 54.87 2x4q s ASP 34 Cb 0.13 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.56 2x4q s ASP 34 CO 0.59 -2.09 0.11 -0.51 0.21 0.00 0.00 175.17 173.47 2x4q s ILE 35 N 8.71 0.02 -0.29 0.77 2.07 -1.26 -4.60 121.20 126.63 2x4q s ILE 35 Ca 0.94 -0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.99 2x4q s ILE 35 Cb -0.27 -0.21 0.04 0.00 0.13 0.00 0.00 42.46 42.15 2x4q s ILE 35 CO 0.32 -0.09 -0.00 -1.61 -1.91 0.00 0.00 174.94 171.65 2x4q s GLU 36 N -0.25 2.67 -0.10 3.50 2.02 -0.54 -5.00 118.70 120.99 2x4q s GLU 36 Ca -0.03 -1.11 0.03 0.00 0.02 0.00 0.00 54.97 53.89 2x4q s GLU 36 Cb -0.02 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2x4q s GLU 36 CO 0.00 -0.53 -0.22 0.08 0.02 0.00 0.00 175.26 174.62 2x4q s VAL 37 N 1.32 1.92 -0.01 2.63 1.01 -1.26 -0.78 120.40 125.24 2x4q s VAL 37 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2x4q s VAL 37 Cb -0.18 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2x4q s VAL 37 CO -0.01 0.53 -0.17 -1.81 0.00 0.00 0.00 175.10 173.63 2x4q s ASP 38 N 0.49 2.03 -0.13 3.32 1.01 -0.47 -5.00 116.67 117.92 2x4q s ASP 38 Ca -0.16 -0.32 -0.10 0.00 0.71 0.00 0.00 52.55 52.68 2x4q s ASP 38 Cb -0.17 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 2x4q s ASP 38 CO 0.06 0.21 0.21 -0.76 0.21 0.00 0.00 175.17 175.11 2x4q s LEU 39 N -0.42 4.33 -0.04 1.23 1.43 -1.26 -0.92 118.68 123.02 2x4q s LEU 39 Ca 0.07 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.73 2x4q s LEU 39 Cb -0.07 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2x4q s LEU 39 CO -0.01 0.27 -0.25 -0.76 0.23 0.00 0.00 176.35 175.83 2x4q s LEU 40 N -0.35 2.08 -0.31 1.79 1.43 0.14 -0.17 118.68 123.28 2x4q s LEU 40 Ca 0.15 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2x4q s LEU 40 Cb -0.13 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.78 2x4q s LEU 40 CO 0.04 0.28 0.02 -0.75 0.23 0.00 0.00 176.35 176.17 2x4q s LYS 41 N -0.38 2.45 -1.32 1.70 2.20 -0.43 -1.33 119.74 122.64 2x4q s LYS 41 Ca 0.03 -1.26 -0.01 0.00 -0.36 0.00 0.00 55.97 54.37 2x4q s LYS 41 Cb -0.12 -3.23 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2x4q s LYS 41 CO 0.01 -0.63 0.65 0.09 -0.36 0.00 0.00 175.35 175.11 2x4q n ASN 42 N 4.65 -1.12 0.00 1.43 5.03 0.74 -2.54 115.26 123.45 2x4q n ASN 42 Ca -0.13 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.46 2x4q n ASN 42 Cb 0.43 -3.87 0.00 0.00 -1.02 0.00 0.00 39.78 35.32 2x4q n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x4q n GLY 43 N -1.65 2.79 3.86 7.41 0.00 -1.26 -5.00 105.19 111.34 2x4q n GLY 43 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 2x4q n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4q s GLU 44 N -0.07 3.92 -0.03 1.61 2.02 -1.05 -5.00 118.70 120.10 2x4q s GLU 44 Ca 0.00 0.52 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 2x4q s GLU 44 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 2x4q s GLU 44 CO 0.00 0.20 1.26 0.50 0.02 0.00 0.00 175.26 177.25 2x4q s ARG 45 N -2.96 4.34 0.35 1.61 3.52 -1.26 -1.31 118.95 123.24 2x4q s ARG 45 Ca 0.52 1.77 -0.26 0.00 -0.13 0.00 0.00 55.73 57.63 2x4q s ARG 45 Cb -0.11 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.65 2x4q s ARG 45 CO 0.19 -0.47 1.03 0.42 -0.81 0.00 0.00 175.30 175.66 2x4q s ILE 46 N 2.16 3.81 -0.26 4.11 1.01 0.76 -4.90 121.20 127.90 2x4q s ILE 46 Ca 0.59 1.50 -0.10 0.00 0.00 0.00 0.00 60.65 62.64 2x4q s ILE 46 Cb -0.27 -3.83 -0.15 0.00 0.01 0.00 0.00 42.46 38.22 2x4q s ILE 46 CO 0.24 0.12 -0.23 -0.62 0.00 0.00 0.00 174.94 174.45 2x4q n GLU 47 N 0.36 0.61 -1.12 2.79 1.02 -1.26 -4.59 120.64 118.45 2x4q n GLU 47 Ca 0.03 0.27 -0.31 0.00 -0.02 0.00 0.00 57.16 57.12 2x4q n GLU 47 Cb 0.49 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 2x4q n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x4q n LYS 48 N -3.97 3.08 -4.48 3.49 5.02 -1.26 -4.89 118.16 115.14 2x4q n LYS 48 Ca -0.49 -1.86 -0.34 0.00 -2.02 0.00 0.00 58.31 53.60 2x4q n LYS 48 Cb 0.90 -2.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.19 2x4q n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x4q s VAL 49 N 2.35 3.86 0.35 -0.18 1.01 -1.26 -4.61 120.40 121.93 2x4q s VAL 49 Ca 0.61 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2x4q s VAL 49 Cb 0.17 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 2x4q s VAL 49 CO -0.05 0.54 -0.02 -1.61 0.00 0.00 0.00 175.10 173.97 2x4q s GLU 50 N -0.20 1.97 0.02 2.72 2.02 -0.69 -4.97 118.70 119.58 2x4q s GLU 50 Ca 0.03 -1.87 -0.02 0.00 0.02 0.00 0.00 54.97 53.13 2x4q s GLU 50 Cb -0.13 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 2x4q s GLU 50 CO 0.02 0.10 0.02 -3.38 0.02 0.00 0.00 175.26 172.05 2x4q s HIS 51 N -2.58 0.20 1.20 1.61 -3.43 -1.26 -0.96 115.29 110.07 2x4q s HIS 51 Ca 0.34 -0.42 -0.14 0.00 -0.80 0.00 0.00 55.06 54.04 2x4q s HIS 51 Cb 0.02 -0.15 0.29 0.00 -1.43 0.00 0.00 32.58 31.32 2x4q s HIS 51 CO 0.18 -0.22 1.02 -1.54 -2.00 0.00 0.00 174.74 172.18 2x4q s SER 52 N -1.46 0.72 0.12 7.38 1.04 -0.09 -4.98 113.70 116.44 2x4q s SER 52 Ca -0.15 1.33 -0.25 0.00 0.48 0.00 0.00 55.95 57.36 2x4q s SER 52 Cb -0.09 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 63.91 2x4q s SER 52 CO -0.00 -4.33 0.76 -1.81 0.98 0.00 0.00 173.24 168.83 2x4q s ASP 53 N -2.73 7.31 -0.12 7.02 1.01 -1.26 -4.75 116.67 123.16 2x4q s ASP 53 Ca 0.68 1.56 -0.36 0.00 0.71 0.00 0.00 52.55 55.14 2x4q s ASP 53 Cb -0.22 -2.48 -0.14 0.00 1.01 0.00 0.00 42.92 41.09 2x4q s ASP 53 CO 0.63 0.16 1.77 -0.11 0.21 0.00 0.00 175.17 177.83 2x4q n LEU 54 N 1.97 2.95 0.00 1.23 7.94 -1.26 -4.92 117.00 124.91 2x4q n LEU 54 Ca -0.05 1.03 -0.14 0.00 -1.11 0.00 0.00 56.01 55.74 2x4q n LEU 54 Cb 0.49 -1.29 -0.04 0.00 0.53 0.00 0.00 43.42 43.11 2x4q n LEU 54 CO 0.46 -0.26 -0.08 -0.24 -1.11 0.00 0.00 177.39 176.15 2x4q n SER 55 N 5.67 0.65 -3.84 1.96 2.88 -1.21 -5.03 113.62 114.69 2x4q n SER 55 Ca 0.23 -2.28 -0.10 0.00 -1.33 0.00 0.00 58.87 55.40 2x4q n SER 55 Cb 0.23 0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 64.35 2x4q n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4q s PHE 56 N -2.55 0.14 0.39 0.66 -0.12 -1.26 -1.92 117.98 113.32 2x4q s PHE 56 Ca 0.16 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 56.54 2x4q s PHE 56 Cb 0.01 0.10 0.07 0.00 -0.63 0.00 0.00 43.02 42.57 2x4q s PHE 56 CO 0.11 -0.73 0.53 0.43 -0.05 0.00 0.00 175.22 175.51 2x4q n SER 57 N -0.22 0.87 0.26 1.98 7.64 0.09 -4.93 113.62 119.31 2x4q n SER 57 Ca -0.11 -1.70 0.11 0.00 1.01 0.00 0.00 58.87 58.18 2x4q n SER 57 Cb 0.63 -0.33 0.69 0.00 -1.01 0.00 0.00 64.21 64.19 2x4q n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2x4q h LYS 58 N 0.00 0.00 -0.54 1.43 3.64 -2.03 -1.03 116.57 118.04 2x4q h LYS 58 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2x4q h LYS 58 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2x4q h LYS 58 CO 0.20 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 177.09 2x4q n ASP 59 N -3.94 2.71 0.00 4.20 5.68 -1.26 -4.91 116.55 119.03 2x4q n ASP 59 Ca -0.02 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 2x4q n ASP 59 Cb 0.20 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 2x4q n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2x4q n TRP 60 N 0.57 0.00 -2.11 2.11 7.02 -0.39 -5.00 117.44 119.64 2x4q n TRP 60 Ca 0.14 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.23 2x4q n TRP 60 Cb 0.50 -0.15 -0.01 0.00 -2.42 0.00 0.00 31.31 29.23 2x4q n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2x4q s SER 61 N -3.21 6.43 0.41 -0.99 1.04 -1.26 -4.58 113.70 111.54 2x4q s SER 61 Ca 0.00 2.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.97 2x4q s SER 61 Cb 0.00 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 2x4q s SER 61 CO 0.00 -0.76 0.71 -0.36 0.98 0.00 0.00 173.24 173.81 2x4q s PHE 62 N -1.27 3.52 -0.03 5.02 0.08 0.80 -0.73 117.98 125.37 2x4q s PHE 62 Ca 0.56 0.79 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 2x4q s PHE 62 Cb -0.37 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 2x4q s PHE 62 CO 0.48 -0.11 0.11 1.52 -0.10 0.00 0.00 175.22 177.12 2x4q s TYR 63 N -2.48 -0.05 0.01 0.36 -0.85 -0.81 -1.71 117.35 111.83 2x4q s TYR 63 Ca 0.47 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 57.14 2x4q s TYR 63 Cb -0.10 -0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 2x4q s TYR 63 CO 0.38 -0.14 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.73 2x4q s LEU 64 N -0.47 2.11 -0.25 -3.49 1.43 -0.41 -3.31 118.68 114.29 2x4q s LEU 64 Ca -0.06 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2x4q s LEU 64 Cb -0.04 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.11 2x4q s LEU 64 CO 0.00 -0.11 0.04 -0.22 0.23 0.00 0.00 176.35 176.29 2x4q s LEU 65 N -0.71 3.34 -0.04 1.79 2.96 -1.26 -1.80 118.68 122.95 2x4q s LEU 65 Ca -0.06 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 2x4q s LEU 65 Cb -0.05 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 2x4q s LEU 65 CO -0.00 -0.06 0.37 -0.31 -1.32 0.00 0.00 176.35 175.03 2x4q s TYR 66 N 1.55 3.66 0.06 5.38 2.02 0.79 -0.91 117.35 129.91 2x4q s TYR 66 Ca 0.06 0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 57.54 2x4q s TYR 66 Cb -0.15 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.13 2x4q s TYR 66 CO 0.01 0.56 0.23 1.52 -1.57 0.00 0.00 175.55 176.30 2x4q s TYR 67 N -0.71 0.03 -0.18 2.71 -0.85 -0.14 0.86 117.35 119.08 2x4q s TYR 67 Ca 0.22 -0.32 -0.27 0.00 -0.52 0.00 0.00 57.07 56.18 2x4q s TYR 67 Cb -0.16 0.01 0.07 0.00 0.38 0.00 0.00 41.96 42.26 2x4q s TYR 67 CO 0.11 -0.51 0.69 -0.08 -1.52 0.00 0.00 175.55 174.24 2x4q s THR 68 N -3.12 0.00 0.32 -3.49 -1.32 -0.70 -1.70 115.64 105.63 2x4q s THR 68 Ca -0.01 -0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 2x4q s THR 68 Cb 0.01 -0.99 -0.10 0.00 -1.51 0.00 0.00 72.50 69.92 2x4q s THR 68 CO -0.07 -0.00 1.21 -0.70 -2.21 0.00 0.00 174.62 172.84 2x4q s GLU 69 N -0.28 4.44 0.13 7.08 2.12 -1.26 0.40 118.70 131.33 2x4q s GLU 69 Ca -0.05 2.01 -0.25 0.00 0.36 0.00 0.00 54.97 57.04 2x4q s GLU 69 Cb -0.03 -3.08 0.07 0.00 0.26 0.00 0.00 34.13 31.35 2x4q s GLU 69 CO 0.05 -0.03 0.82 -0.59 -0.54 0.00 0.00 175.26 174.96 2x4q s PHE 70 N -1.18 -0.30 -0.29 5.30 -0.00 0.13 -4.83 117.98 116.82 2x4q s PHE 70 Ca 0.48 0.04 0.01 0.00 -0.00 0.00 0.00 56.93 57.46 2x4q s PHE 70 Cb -0.36 0.60 0.08 0.00 -0.00 0.00 0.00 43.02 43.35 2x4q s PHE 70 CO 0.46 -0.81 0.02 0.99 -0.00 0.00 0.00 175.22 175.88 2x4q s THR 71 N -3.44 1.62 0.49 -4.49 2.01 -1.26 0.74 115.64 111.30 2x4q s THR 71 Ca 0.07 -1.64 -0.22 0.00 0.31 0.00 0.00 61.69 60.21 2x4q s THR 71 Cb -0.02 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 70.35 2x4q s THR 71 CO -0.04 -0.41 1.08 -2.65 -0.69 0.00 0.00 174.62 171.91 2x4q n PRO 72 N 4.58 1.37 -4.48 4.92 -0.02 -1.26 -4.74 135.00 135.37 2x4q n PRO 72 Ca -0.04 0.50 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 2x4q n PRO 72 Cb 0.43 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 2x4q n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2x4q s THR 73 N -1.34 1.39 -0.71 3.45 -4.23 -1.26 -1.63 115.64 111.31 2x4q s THR 73 Ca 0.67 -2.02 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 2x4q s THR 73 Cb -0.49 -2.78 0.21 0.00 1.34 0.00 0.00 72.50 70.78 2x4q s THR 73 CO 0.54 -0.04 1.66 1.21 -0.54 0.00 0.00 174.62 177.44 2x4q n GLU 74 N -0.72 0.13 0.00 3.99 2.13 -1.26 -3.88 120.64 121.03 2x4q n GLU 74 Ca -0.03 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2x4q n GLU 74 Cb 0.66 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.65 2x4q n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2x4q n LYS 75 N -1.95 2.01 -2.22 5.31 5.02 -1.26 -5.02 118.16 120.04 2x4q n LYS 75 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2x4q n LYS 75 Cb 0.24 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 2x4q n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x4q s ASP 76 N -2.48 6.85 0.03 4.39 1.01 -1.25 -5.02 116.67 120.20 2x4q s ASP 76 Ca 0.00 2.14 -0.09 0.00 0.71 0.00 0.00 52.55 55.31 2x4q s ASP 76 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 2x4q s ASP 76 CO 0.00 -0.70 0.33 -1.61 0.21 0.00 0.00 175.17 173.39 2x4q s GLU 77 N 2.20 3.68 -0.00 8.23 2.02 -1.26 -4.75 118.70 128.81 2x4q s GLU 77 Ca 0.64 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.74 2x4q s GLU 77 Cb -0.32 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 2x4q s GLU 77 CO 0.27 0.63 -0.11 0.71 0.02 0.00 0.00 175.26 176.78 2x4q s TYR 78 N -1.30 0.97 0.13 1.61 2.02 -1.26 -0.19 117.35 119.33 2x4q s TYR 78 Ca 0.29 -0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.72 2x4q s TYR 78 Cb -0.14 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 2x4q s TYR 78 CO 0.16 -0.01 0.19 0.00 -1.57 0.00 0.00 175.55 174.32 2x4q s ALA 79 N -0.32 0.16 -0.14 3.71 0.00 -0.44 0.73 121.76 125.46 2x4q s ALA 79 Ca 0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2x4q s ALA 79 Cb -0.04 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2x4q s ALA 79 CO -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 175.76 175.11 2x4q s ARG 81 N 0.35 3.36 -0.14 0.00 3.52 -0.09 -1.04 118.95 124.90 2x4q s ARG 81 Ca -0.08 -0.64 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 2x4q s ARG 81 Cb -0.15 -2.96 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 2x4q s ARG 81 CO 0.04 -0.17 -0.21 0.08 -0.81 0.00 0.00 175.30 174.23 2x4q s VAL 82 N 1.40 2.09 -0.02 7.11 1.01 0.13 -1.37 120.40 130.75 2x4q s VAL 82 Ca 0.05 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.11 2x4q s VAL 82 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2x4q s VAL 82 CO -0.03 0.55 -0.16 0.21 0.00 0.00 0.00 175.10 175.66 2x4q s ASN 83 N 0.86 3.88 -0.05 3.32 2.47 0.04 -0.18 114.94 125.28 2x4q s ASN 83 Ca -0.06 -0.28 -0.28 0.00 0.42 0.00 0.00 52.86 52.66 2x4q s ASN 83 Cb -0.15 -0.74 0.06 0.00 -1.45 0.00 0.00 41.25 38.97 2x4q s ASN 83 CO -0.03 0.32 0.61 -2.28 -3.72 0.00 0.00 177.10 172.00 2x4q s HIS 84 N -0.78 -0.57 0.66 0.43 5.65 -1.26 -1.47 115.29 117.95 2x4q s HIS 84 Ca 0.12 0.99 0.29 0.00 0.25 0.00 0.00 55.06 56.72 2x4q s HIS 84 Cb -0.11 0.35 1.57 0.00 -1.18 0.00 0.00 32.58 33.21 2x4q s HIS 84 CO 0.02 -0.56 1.89 -0.24 -0.65 0.00 0.00 174.74 175.20 2x4q h VAL 85 N 3.20 0.03 0.00 0.89 3.04 -1.96 0.92 116.25 122.37 2x4q h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2x4q h VAL 85 Cb 1.15 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2x4q h VAL 85 CO 0.38 0.00 -0.77 0.71 -1.01 0.00 0.00 177.57 176.88 2x4q h THR 86 N 0.00 0.00 -3.31 3.17 1.35 -1.93 -3.45 112.91 108.74 2x4q h THR 86 Ca 0.02 -0.81 -0.57 0.00 -0.55 0.00 0.00 66.41 64.49 2x4q h THR 86 Cb 0.74 1.39 -0.07 0.00 -1.73 0.00 0.00 68.15 68.48 2x4q h THR 86 CO -0.00 0.00 -0.06 -0.76 -0.25 0.00 0.00 175.52 174.45 2x4q s LEU 87 N -5.03 4.33 0.47 3.87 1.43 0.32 -4.97 118.68 119.11 2x4q s LEU 87 Ca 0.03 0.99 0.27 0.00 -1.03 0.00 0.00 54.13 54.38 2x4q s LEU 87 Cb 0.10 -2.83 1.07 0.00 0.03 0.00 0.00 46.19 44.57 2x4q s LEU 87 CO 0.75 0.02 1.88 0.77 0.23 0.00 0.00 176.35 180.01 2x4q h SER 88 N 6.33 0.00 -5.17 2.29 4.64 -1.88 -3.44 113.55 116.33 2x4q h SER 88 Ca -0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 2x4q h SER 88 Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 2x4q h SER 88 CO 0.73 0.16 -0.19 0.00 -0.87 0.00 0.00 176.83 176.66 2x4q s GLN 89 N -3.70 1.16 0.26 4.77 -2.07 -1.26 -5.13 119.66 113.69 2x4q s GLN 89 Ca 0.00 -0.99 -0.30 0.00 -1.82 0.00 0.00 55.36 52.25 2x4q s GLN 89 Cb 0.10 0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 32.34 2x4q s GLN 89 CO 0.61 -0.45 1.55 -2.14 -1.32 0.00 0.00 175.29 173.54 2x4q s PRO 90 N -3.90 4.18 -0.08 9.60 0.02 -1.26 -4.89 135.00 138.67 2x4q s PRO 90 Ca 0.11 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.45 2x4q s PRO 90 Cb 0.02 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 2x4q s PRO 90 CO -0.04 -0.57 0.41 0.21 -0.33 0.00 0.00 177.00 176.68 2x4q s LYS 91 N -0.22 4.14 -0.15 5.54 2.20 0.74 -4.87 119.74 127.13 2x4q s LYS 91 Ca 0.63 0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 56.60 2x4q s LYS 91 Cb -0.46 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2x4q s LYS 91 CO 0.44 0.40 -0.12 0.42 -0.36 0.00 0.00 175.35 176.13 2x4q s ILE 92 N -0.12 3.08 -0.21 5.43 1.01 -1.26 0.17 121.20 129.30 2x4q s ILE 92 Ca 0.23 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2x4q s ILE 92 Cb -0.15 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.04 2x4q s ILE 92 CO 0.10 0.51 -0.14 -0.69 0.00 0.00 0.00 174.94 174.72 2x4q s VAL 93 N 0.55 1.98 0.79 2.92 1.01 -0.20 -4.97 120.40 122.47 2x4q s VAL 93 Ca -0.08 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 2x4q s VAL 93 Cb -0.15 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.33 2x4q s VAL 93 CO 0.03 0.22 1.11 -0.54 0.00 0.00 0.00 175.10 175.93 2x4q s LYS 94 N 1.25 2.00 -0.33 2.72 1.02 -1.26 -0.72 119.74 124.41 2x4q s LYS 94 Ca -0.02 1.32 -0.20 0.00 0.02 0.00 0.00 55.97 57.10 2x4q s LYS 94 Cb -0.17 -1.86 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 2x4q s LYS 94 CO -0.09 -1.86 0.59 -0.46 -0.92 0.00 0.00 175.35 172.62 2x4q s TRP 95 N -2.72 3.18 -0.28 3.18 -0.00 0.22 -4.77 118.94 117.75 2x4q s TRP 95 Ca 0.64 0.39 -0.09 0.00 -0.00 0.00 0.00 56.10 57.04 2x4q s TRP 95 Cb -0.20 -3.01 -0.02 0.00 -0.00 0.00 0.00 33.47 30.24 2x4q s TRP 95 CO 0.54 -0.54 0.12 0.34 -0.00 0.00 0.00 176.95 177.42 2x4q s ASP 96 N 1.73 5.43 0.47 5.86 2.15 -1.26 -4.73 116.67 126.30 2x4q s ASP 96 Ca 0.23 -0.35 0.26 0.00 0.43 0.00 0.00 52.55 53.12 2x4q s ASP 96 Cb -0.15 -1.98 0.64 0.00 -0.30 0.00 0.00 42.92 41.13 2x4q s ASP 96 CO 0.13 -0.12 1.72 0.08 -0.17 0.00 0.00 175.17 176.81 2x4q h ARG 97 N 8.31 0.00 0.00 4.34 0.11 -1.96 -3.48 114.38 121.69 2x4q h ARG 97 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2x4q h ARG 97 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2x4q h ARG 97 CO 0.59 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.26