#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 0.30 -0.15 0.38 -0.21 -1.26 -4.10 119.66 114.62 2x4q s GLN 2 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 55.36 54.96 2x4q s GLN 2 Cb 0.00 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 2x4q s GLN 2 CO 0.00 -0.77 0.07 1.03 -2.12 0.00 0.00 175.29 173.49 2x4q s ARG 3 N 2.01 3.66 0.17 2.91 0.52 0.36 -4.91 118.95 123.68 2x4q s ARG 3 Ca 0.04 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 2x4q s ARG 3 Cb -0.16 -3.13 -0.07 0.00 0.52 0.00 0.00 34.95 32.11 2x4q s ARG 3 CO -0.17 0.48 0.97 0.99 0.02 0.00 0.00 175.30 177.59 2x4q s THR 4 N -0.21 4.25 0.53 0.02 2.01 -1.26 -1.97 115.64 119.01 2x4q s THR 4 Ca 0.08 2.03 -0.21 0.00 0.31 0.00 0.00 61.69 63.90 2x4q s THR 4 Cb -0.12 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2x4q s THR 4 CO 0.01 0.39 1.24 -2.84 -0.69 0.00 0.00 174.62 172.73 2x4q s PRO 5 N -0.55 3.29 -0.17 4.92 0.02 -1.26 -4.28 135.00 136.97 2x4q s PRO 5 Ca 0.45 1.92 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 2x4q s PRO 5 Cb -0.25 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 2x4q s PRO 5 CO 0.31 -0.98 0.02 0.15 -0.33 0.00 0.00 177.00 176.18 2x4q s LYS 6 N -3.00 3.83 -0.14 5.54 1.02 0.75 -4.93 119.74 122.81 2x4q s LYS 6 Ca 0.71 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.31 2x4q s LYS 6 Cb -0.33 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2x4q s LYS 6 CO 0.38 0.28 -0.20 0.42 -0.92 0.00 0.00 175.35 175.30 2x4q s ILE 7 N 0.31 2.26 -0.08 2.17 1.01 -1.26 -1.58 121.20 124.04 2x4q s ILE 7 Ca 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2x4q s ILE 7 Cb -0.13 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 2x4q s ILE 7 CO 0.01 0.54 -0.23 -1.10 0.00 0.00 0.00 174.94 174.16 2x4q s GLN 8 N 0.72 2.68 -0.15 2.79 -0.21 -0.20 -5.00 119.66 120.28 2x4q s GLN 8 Ca -0.09 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.46 2x4q s GLN 8 Cb -0.16 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.72 2x4q s GLN 8 CO 0.01 0.25 -0.16 0.08 -2.12 0.00 0.00 175.29 173.35 2x4q s VAL 9 N 0.15 2.63 0.05 1.09 1.01 -1.26 -1.47 120.40 122.60 2x4q s VAL 9 Ca -0.12 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 2x4q s VAL 9 Cb -0.16 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.21 2x4q s VAL 9 CO 0.06 0.52 0.97 -0.72 0.00 0.00 0.00 175.10 175.93 2x4q s TYR 10 N 0.74 -0.22 0.11 5.22 -0.85 -0.63 -4.50 117.35 117.23 2x4q s TYR 10 Ca -0.07 0.01 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 2x4q s TYR 10 Cb -0.16 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 2x4q s TYR 10 CO 0.01 -0.63 0.19 -1.54 -1.52 0.00 0.00 175.55 172.06 2x4q s SER 11 N -2.71 6.01 0.12 -0.18 1.04 -1.26 0.27 113.70 117.00 2x4q s SER 11 Ca 0.09 0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.40 2x4q s SER 11 Cb -0.01 -1.74 -0.05 0.00 0.10 0.00 0.00 66.02 64.33 2x4q s SER 11 CO -0.04 0.12 1.69 -0.09 0.98 0.00 0.00 173.24 175.90 2x4q h ARG 12 N 2.72 -0.13 -6.20 4.02 2.43 -1.64 -3.43 114.38 112.14 2x4q h ARG 12 Ca -0.47 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.14 2x4q h ARG 12 Cb 1.18 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.65 2x4q h ARG 12 CO 0.69 -0.09 -0.68 -1.01 -1.51 0.00 0.00 179.97 177.37 2x4q s HIS 13 N -6.16 2.56 0.10 2.20 3.76 -1.26 -5.05 115.29 111.44 2x4q s HIS 13 Ca -0.14 -0.26 -0.36 0.00 -0.15 0.00 0.00 55.06 54.15 2x4q s HIS 13 Cb 0.09 -1.14 -0.15 0.00 1.11 0.00 0.00 32.58 32.49 2x4q s HIS 13 CO 0.67 0.65 1.47 -2.30 -0.85 0.00 0.00 174.74 174.38 2x4q n PRO 14 N -0.81 1.61 -2.09 8.40 -0.02 -1.26 -4.84 135.00 135.99 2x4q n PRO 14 Ca -0.06 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 2x4q n PRO 14 Cb 0.59 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.84 3.49 -0.14 3.55 0.00 -1.26 -5.01 121.76 123.23 2x4q s ALA 15 Ca 0.83 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2x4q s ALA 15 Cb -0.83 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 18.51 2x4q s ALA 15 CO 0.44 -1.58 -0.15 -1.21 0.00 0.00 0.00 175.76 173.25 2x4q s GLU 16 N 4.23 3.27 -0.10 0.00 2.02 -1.26 -5.06 118.70 121.80 2x4q s GLU 16 Ca 0.71 -0.73 -0.38 0.00 0.02 0.00 0.00 54.97 54.59 2x4q s GLU 16 Cb -0.29 -2.60 -0.16 0.00 0.10 0.00 0.00 34.13 31.18 2x4q s GLU 16 CO 0.28 0.12 1.59 0.09 0.02 0.00 0.00 175.26 177.35 2x4q n ASN 17 N 3.78 2.21 0.00 -0.19 3.02 -1.26 -1.40 115.26 121.43 2x4q n ASN 17 Ca -0.19 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2x4q n ASN 17 Cb 0.52 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 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 3.51 2.49 3.74 7.41 0.00 0.50 -4.99 105.19 117.84 2x4q n GLY 18 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.41 4.15 0.58 1.61 1.02 -0.49 -4.96 119.74 121.23 2x4q s LYS 19 Ca 0.00 -0.11 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 2x4q s LYS 19 Cb 0.00 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2x4q s LYS 19 CO 0.00 0.33 0.85 -1.13 -0.92 0.00 0.00 175.35 174.48 2x4q n SER 20 N 3.39 0.34 -2.78 2.83 3.41 -1.26 -4.18 113.62 115.37 2x4q n SER 20 Ca -0.15 0.81 -0.04 0.00 -0.26 0.00 0.00 58.87 59.23 2x4q n SER 20 Cb 0.52 -1.33 0.02 0.00 -0.26 0.00 0.00 64.21 63.16 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 -0.31 -1.57 -4.11 4.04 2.85 0.31 -4.97 115.26 111.50 2x4q n ASN 21 Ca 0.13 -1.91 -0.25 0.00 -0.11 0.00 0.00 54.58 52.43 2x4q n ASN 21 Cb 0.47 2.57 -0.16 0.00 1.24 0.00 0.00 39.78 43.90 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 -2.95 1.61 -0.25 1.20 0.08 -1.26 -0.72 117.98 115.69 2x4q s PHE 22 Ca 0.17 -0.48 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 2x4q s PHE 22 Cb -0.03 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2x4q s PHE 22 CO 0.06 -0.18 0.41 -1.17 -0.10 0.00 0.00 175.22 174.24 2x4q s LEU 23 N 0.15 4.08 -0.10 -0.37 2.96 0.93 -1.46 118.68 124.86 2x4q s LEU 23 Ca -0.06 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2x4q s LEU 23 Cb -0.12 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 2x4q s LEU 23 CO 0.02 -0.17 -0.06 0.20 -1.32 0.00 0.00 176.35 175.03 2x4q s ASN 24 N 1.44 4.72 -0.28 3.68 0.01 0.14 -1.90 114.94 122.74 2x4q s ASN 24 Ca 0.17 -0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.29 2x4q s ASN 24 Cb -0.15 -1.43 0.08 0.00 0.41 0.00 0.00 41.25 40.15 2x4q s ASN 24 CO 0.09 0.29 -0.04 0.00 -1.51 0.00 0.00 177.10 175.93 2x4q s TYR 26 N 1.11 3.27 -0.13 0.00 5.04 -0.54 -0.56 117.35 125.53 2x4q s TYR 26 Ca -0.01 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.08 2x4q s TYR 26 Cb -0.19 -2.56 0.01 0.00 0.35 0.00 0.00 41.96 39.57 2x4q s TYR 26 CO -0.07 -0.19 -0.22 0.14 -1.34 0.00 0.00 175.55 173.87 2x4q s VAL 27 N 1.93 2.05 0.18 3.14 -7.23 0.01 -1.04 120.40 119.44 2x4q s VAL 27 Ca 0.15 -0.98 -0.00 0.00 -1.81 0.00 0.00 61.98 59.34 2x4q s VAL 27 Cb -0.16 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2x4q s VAL 27 CO 0.09 0.55 0.08 -0.94 -0.31 0.00 0.00 175.10 174.58 2x4q s SER 28 N 0.69 0.48 -0.44 4.85 1.04 -0.61 0.14 113.70 119.85 2x4q s SER 28 Ca -0.10 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.03 2x4q s SER 28 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2x4q s SER 28 CO 0.01 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2x4q n GLY 29 N -0.23 0.69 3.94 7.32 0.00 0.06 -0.18 105.19 116.79 2x4q n GLY 29 Ca -0.02 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.07 3.40 -0.28 1.61 -0.71 -1.16 -4.22 117.98 114.56 2x4q s PHE 30 Ca 0.00 0.01 -0.21 0.00 -1.04 0.00 0.00 56.93 55.69 2x4q s PHE 30 Cb 0.00 -1.57 0.12 0.00 -1.21 0.00 0.00 43.02 40.35 2x4q s PHE 30 CO 0.00 0.48 0.93 -1.58 -1.34 0.00 0.00 175.22 173.71 2x4q s HIS 31 N -1.92 -0.62 0.00 3.49 2.46 -0.83 -0.60 115.29 117.27 2x4q s HIS 31 Ca 0.34 1.37 0.00 0.00 0.47 0.00 0.00 55.06 57.24 2x4q s HIS 31 Cb -0.09 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 2x4q s HIS 31 CO 0.28 -0.31 0.00 -0.35 -2.47 0.00 0.00 174.74 171.90 2x4q n PRO 32 N 3.05 0.36 0.01 2.88 -0.04 -1.26 0.14 135.00 140.13 2x4q n PRO 32 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2x4q n PRO 32 Cb 0.57 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.26 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 -1.19 0.52 -4.65 3.54 3.41 -1.26 -4.83 113.62 109.17 2x4q n SER 33 Ca 0.00 -0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 57.96 2x4q n SER 33 Cb 0.00 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 -3.13 6.55 -0.14 4.04 1.01 -1.26 -4.96 116.67 118.78 2x4q s ASP 34 Ca 0.10 1.91 -0.25 0.00 0.71 0.00 0.00 52.55 55.03 2x4q s ASP 34 Cb 0.17 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.63 2x4q s ASP 34 CO 0.71 -1.07 0.62 -0.51 0.21 0.00 0.00 175.17 175.13 2x4q s ILE 35 N 4.55 0.01 -0.20 0.77 2.07 -1.26 -4.50 121.20 122.63 2x4q s ILE 35 Ca 0.71 -0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.89 2x4q s ILE 35 Cb -0.28 -0.90 0.02 0.00 0.13 0.00 0.00 42.46 41.42 2x4q s ILE 35 CO 0.28 -0.03 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.53 2x4q s GLU 36 N -0.42 3.03 -0.10 3.50 8.01 -0.70 -5.01 118.70 127.02 2x4q s GLU 36 Ca -0.06 -0.82 0.01 0.00 0.01 0.00 0.00 54.97 54.11 2x4q s GLU 36 Cb -0.03 -2.76 0.02 0.00 -4.31 0.00 0.00 34.13 27.05 2x4q s GLU 36 CO 0.05 -0.25 -0.10 0.08 0.01 0.00 0.00 175.26 175.04 2x4q s VAL 37 N 1.33 1.15 0.01 2.63 1.01 -1.26 -0.59 120.40 124.68 2x4q s VAL 37 Ca 0.04 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.66 2x4q s VAL 37 Cb -0.14 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2x4q s VAL 37 CO -0.09 0.38 -0.17 -1.81 0.00 0.00 0.00 175.10 173.41 2x4q s ASP 38 N 1.28 2.03 0.10 3.32 1.01 -0.52 -4.99 116.67 118.90 2x4q s ASP 38 Ca -0.03 -0.38 -0.07 0.00 0.71 0.00 0.00 52.55 52.78 2x4q s ASP 38 Cb -0.14 -0.19 -0.06 0.00 1.01 0.00 0.00 42.92 43.54 2x4q s ASP 38 CO -0.04 0.16 0.38 -0.76 0.21 0.00 0.00 175.17 175.12 2x4q s LEU 39 N -0.72 4.31 -0.10 1.23 1.43 -1.26 -0.52 118.68 123.05 2x4q s LEU 39 Ca 0.06 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2x4q s LEU 39 Cb -0.07 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.08 2x4q s LEU 39 CO 0.00 0.13 -0.11 -0.76 0.23 0.00 0.00 176.35 175.84 2x4q s LEU 40 N -2.21 1.46 -0.33 1.79 1.43 0.53 -0.59 118.68 120.77 2x4q s LEU 40 Ca 0.36 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 2x4q s LEU 40 Cb -0.13 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2x4q s LEU 40 CO 0.20 -0.04 0.22 -0.75 0.23 0.00 0.00 176.35 176.21 2x4q s LYS 41 N 1.21 3.53 -1.61 1.70 2.20 0.16 -1.61 119.74 125.32 2x4q s LYS 41 Ca -0.04 -0.61 -0.14 0.00 -0.36 0.00 0.00 55.97 54.83 2x4q s LYS 41 Cb -0.14 -3.74 0.11 0.00 -1.51 0.00 0.00 37.83 32.55 2x4q s LYS 41 CO -0.03 -0.40 0.72 0.09 -0.36 0.00 0.00 175.35 175.37 2x4q n ASN 42 N 5.08 -2.75 0.00 1.43 5.03 0.27 -1.50 115.26 122.82 2x4q n ASN 42 Ca -0.13 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.33 2x4q n ASN 42 Cb 0.50 -2.95 0.00 0.00 -1.02 0.00 0.00 39.78 36.31 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 -1.58 1.58 3.79 7.41 0.00 -1.26 -5.03 105.19 110.10 2x4q n GLY 43 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.41 3.45 -0.18 1.61 2.02 -0.57 -4.99 118.70 119.64 2x4q s GLU 44 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.47 2x4q s GLU 44 Cb 0.00 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 2x4q s GLU 44 CO 0.00 0.67 1.58 0.50 0.02 0.00 0.00 175.26 178.03 2x4q s ARG 45 N -0.73 3.93 0.15 1.61 3.52 -1.26 -0.66 118.95 125.51 2x4q s ARG 45 Ca 0.13 1.78 -0.31 0.00 -0.13 0.00 0.00 55.73 57.19 2x4q s ARG 45 Cb -0.12 -3.99 -0.09 0.00 -1.56 0.00 0.00 34.95 29.19 2x4q s ARG 45 CO 0.03 -1.12 1.52 0.42 -0.81 0.00 0.00 175.30 175.33 2x4q s ILE 46 N 4.74 2.83 -0.10 4.11 1.01 0.25 -4.92 121.20 129.11 2x4q s ILE 46 Ca 0.70 0.59 -0.10 0.00 0.00 0.00 0.00 60.65 61.84 2x4q s ILE 46 Cb -0.26 -3.38 -0.27 0.00 0.01 0.00 0.00 42.46 38.56 2x4q s ILE 46 CO 0.28 0.04 0.46 -0.33 0.00 0.00 0.00 174.94 175.39 2x4q h GLU 47 N 6.84 0.28 -3.29 2.79 5.08 -1.93 -3.40 114.58 120.95 2x4q h GLU 47 Ca -0.42 -0.49 -0.71 0.00 -1.00 0.00 0.00 59.36 56.74 2x4q h GLU 47 Cb 1.21 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 2x4q h GLU 47 CO 0.90 1.23 3.05 1.63 -1.00 0.00 0.00 179.01 184.82 2x4q n LYS 48 N -3.62 3.63 -3.88 2.33 5.02 -1.26 -4.94 118.16 115.44 2x4q n LYS 48 Ca -0.29 -2.80 -0.35 0.00 -2.02 0.00 0.00 58.31 52.84 2x4q n LYS 48 Cb 1.02 -2.93 -0.14 0.00 -0.02 0.00 0.00 35.03 32.96 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 1.47 3.49 0.27 -0.18 1.01 -1.26 -4.73 120.40 120.47 2x4q s VAL 49 Ca 0.55 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2x4q s VAL 49 Cb 0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2x4q s VAL 49 CO -0.06 0.40 0.44 -1.61 0.00 0.00 0.00 175.10 174.26 2x4q s GLU 50 N 1.49 3.48 0.24 2.72 2.02 -0.59 -4.91 118.70 123.15 2x4q s GLU 50 Ca 0.06 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.59 2x4q s GLU 50 Cb -0.14 -2.79 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 2x4q s GLU 50 CO -0.02 0.31 0.02 -3.38 0.02 0.00 0.00 175.26 172.21 2x4q s HIS 51 N -2.08 1.54 0.82 1.61 -3.43 -1.26 -0.56 115.29 111.94 2x4q s HIS 51 Ca 0.37 -0.99 -0.12 0.00 -0.80 0.00 0.00 55.06 53.52 2x4q s HIS 51 Cb -0.10 -0.91 0.10 0.00 -1.43 0.00 0.00 32.58 30.24 2x4q s HIS 51 CO 0.32 -0.12 1.18 -1.54 -2.00 0.00 0.00 174.74 172.58 2x4q s SER 52 N -3.30 4.32 0.06 7.38 1.04 0.27 -4.99 113.70 118.49 2x4q s SER 52 Ca 0.30 0.65 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 2x4q s SER 52 Cb 0.06 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 2x4q s SER 52 CO 0.10 -2.00 1.02 -1.81 0.98 0.00 0.00 173.24 171.53 2x4q s ASP 53 N -4.62 7.35 -0.13 7.02 1.01 -1.26 -4.77 116.67 121.27 2x4q s ASP 53 Ca 0.64 1.80 -0.36 0.00 0.71 0.00 0.00 52.55 55.34 2x4q s ASP 53 Cb -0.10 -2.58 -0.13 0.00 1.01 0.00 0.00 42.92 41.12 2x4q s ASP 53 CO 0.49 -0.23 1.81 -0.11 0.21 0.00 0.00 175.17 177.34 2x4q n LEU 54 N 3.41 3.06 -4.31 1.23 7.94 -1.26 -4.94 117.00 122.13 2x4q n LEU 54 Ca 0.05 1.01 -0.18 0.00 -1.11 0.00 0.00 56.01 55.79 2x4q n LEU 54 Cb 0.49 -1.30 -0.09 0.00 0.53 0.00 0.00 43.42 43.05 2x4q n LEU 54 CO 0.52 -0.21 -0.21 -0.55 -1.11 0.00 0.00 177.39 175.84 2x4q s SER 55 N 3.65 1.34 0.18 1.96 0.15 -1.24 -5.05 113.70 114.70 2x4q s SER 55 Ca 0.94 -1.53 -0.00 0.00 0.70 0.00 0.00 55.95 56.06 2x4q s SER 55 Cb -0.81 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 2x4q s SER 55 CO 0.55 -0.87 0.07 0.72 1.20 0.00 0.00 173.24 174.91 2x4q s PHE 56 N -3.68 1.11 0.00 3.44 -0.12 -1.26 -1.63 117.98 115.84 2x4q s PHE 56 Ca 0.37 -1.23 0.00 0.00 -0.05 0.00 0.00 56.93 56.01 2x4q s PHE 56 Cb 0.05 -0.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.84 2x4q s PHE 56 CO 0.17 -0.47 0.00 0.43 -0.05 0.00 0.00 175.22 175.30 2x4q n SER 57 N -0.23 0.00 0.14 1.98 7.64 0.14 -4.93 113.62 118.37 2x4q n SER 57 Ca -0.03 -0.34 0.02 0.00 1.01 0.00 0.00 58.87 59.54 2x4q n SER 57 Cb 0.65 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.96 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 -0.65 1.43 3.64 -2.03 -2.87 116.57 116.09 2x4q h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x4q h LYS 58 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2x4q h LYS 58 CO 0.00 0.54 0.00 -0.40 -2.27 0.00 0.00 179.45 177.32 2x4q n ASP 59 N -3.37 3.91 0.00 4.20 5.75 -1.26 -4.91 116.55 120.87 2x4q n ASP 59 Ca 0.01 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 2x4q n ASP 59 Cb 0.69 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2x4q n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4q n TRP 60 N 0.62 0.00 -2.50 2.11 7.02 -1.08 -5.01 117.44 118.60 2x4q n TRP 60 Ca 0.19 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.34 2x4q n TRP 60 Cb 0.78 -0.24 -0.04 0.00 -2.42 0.00 0.00 31.31 29.39 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 -3.10 6.44 0.45 -0.99 1.04 -1.26 -4.58 113.70 111.69 2x4q s SER 61 Ca 0.00 1.79 -0.10 0.00 0.48 0.00 0.00 55.95 58.12 2x4q s SER 61 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 2x4q s SER 61 CO 0.00 -0.71 0.81 -0.36 0.98 0.00 0.00 173.24 173.96 2x4q s PHE 62 N -2.23 3.50 0.05 5.02 0.08 0.23 0.24 117.98 124.87 2x4q s PHE 62 Ca 0.64 1.04 0.02 0.00 0.12 0.00 0.00 56.93 58.74 2x4q s PHE 62 Cb -0.13 -2.45 -0.03 0.00 -0.57 0.00 0.00 43.02 39.84 2x4q s PHE 62 CO 0.23 -0.21 -0.07 1.52 -0.10 0.00 0.00 175.22 176.59 2x4q s TYR 63 N -2.54 0.67 -0.05 0.36 -0.85 -0.65 -0.76 117.35 113.53 2x4q s TYR 63 Ca 0.51 -0.57 -0.07 0.00 -0.52 0.00 0.00 57.07 56.42 2x4q s TYR 63 Cb -0.10 -0.40 0.01 0.00 0.38 0.00 0.00 41.96 41.85 2x4q s TYR 63 CO 0.36 -0.10 0.19 -0.51 -1.52 0.00 0.00 175.55 173.96 2x4q s LEU 64 N -1.79 1.31 -0.27 -3.49 1.43 0.12 -3.61 118.68 112.38 2x4q s LEU 64 Ca -0.07 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2x4q s LEU 64 Cb -0.08 0.71 -0.00 0.00 0.03 0.00 0.00 46.19 46.85 2x4q s LEU 64 CO -0.01 -0.17 0.04 -0.22 0.23 0.00 0.00 176.35 176.23 2x4q s LEU 65 N -0.37 3.52 -0.12 1.79 2.96 -1.26 -0.81 118.68 124.39 2x4q s LEU 65 Ca -0.05 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 2x4q s LEU 65 Cb -0.03 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2x4q s LEU 65 CO 0.01 -0.12 0.24 -0.31 -1.32 0.00 0.00 176.35 174.85 2x4q s TYR 66 N 1.50 3.56 0.05 5.38 2.02 0.27 -0.56 117.35 129.57 2x4q s TYR 66 Ca 0.04 0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 57.23 2x4q s TYR 66 Cb -0.16 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 2x4q s TYR 66 CO 0.01 0.50 0.28 1.52 -1.57 0.00 0.00 175.55 176.30 2x4q s TYR 67 N -0.39 -0.07 -0.08 2.71 -0.85 0.28 0.08 117.35 119.03 2x4q s TYR 67 Ca 0.16 -0.10 -0.23 0.00 -0.52 0.00 0.00 57.07 56.39 2x4q s TYR 67 Cb -0.13 0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.33 2x4q s TYR 67 CO 0.05 -0.50 0.52 -0.08 -1.52 0.00 0.00 175.55 174.03 2x4q s THR 68 N -2.64 0.02 -0.06 -3.49 -1.32 -0.80 -1.54 115.64 105.81 2x4q s THR 68 Ca -0.04 -0.15 -0.28 0.00 -1.21 0.00 0.00 61.69 60.00 2x4q s THR 68 Cb -0.01 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.15 2x4q s THR 68 CO -0.04 -0.08 0.93 -0.70 -2.21 0.00 0.00 174.62 172.51 2x4q s GLU 69 N -0.83 4.47 0.09 7.08 2.12 -1.26 -0.05 118.70 130.33 2x4q s GLU 69 Ca -0.09 1.28 -0.08 0.00 0.36 0.00 0.00 54.97 56.44 2x4q s GLU 69 Cb -0.03 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.87 2x4q s GLU 69 CO 0.06 -0.13 0.19 -0.59 -0.54 0.00 0.00 175.26 174.24 2x4q s PHE 70 N 1.37 0.19 -0.31 5.30 -0.00 0.11 -4.90 117.98 119.74 2x4q s PHE 70 Ca 0.47 -0.61 0.01 0.00 -0.00 0.00 0.00 56.93 56.80 2x4q s PHE 70 Cb -0.19 -0.07 0.07 0.00 -0.00 0.00 0.00 43.02 42.83 2x4q s PHE 70 CO 0.22 -0.55 -0.01 0.99 -0.00 0.00 0.00 175.22 175.86 2x4q s THR 71 N -3.87 2.52 0.46 -4.49 2.01 -1.26 -0.53 115.64 110.48 2x4q s THR 71 Ca 0.06 -1.79 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 2x4q s THR 71 Cb 0.05 -2.60 -0.08 0.00 0.01 0.00 0.00 72.50 69.88 2x4q s THR 71 CO -0.10 -0.26 1.42 -2.84 -0.69 0.00 0.00 174.62 172.15 2x4q s PRO 72 N 1.09 3.63 0.48 4.92 0.02 -1.26 -4.72 135.00 139.16 2x4q s PRO 72 Ca -0.01 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.43 2x4q s PRO 72 Cb -0.20 -2.61 -0.03 0.00 0.02 0.00 0.00 34.50 31.68 2x4q s PRO 72 CO -0.05 -0.86 0.02 0.95 -0.33 0.00 0.00 177.00 176.74 2x4q s THR 73 N -1.21 1.22 -0.30 0.99 -4.23 -1.26 -0.37 115.64 110.47 2x4q s THR 73 Ca 0.62 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.40 2x4q s THR 73 Cb -0.43 -2.32 0.35 0.00 1.34 0.00 0.00 72.50 71.44 2x4q s THR 73 CO 0.55 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.29 2x4q h GLU 74 N 1.48 0.00 0.00 3.99 4.81 -1.98 -3.33 114.58 119.56 2x4q h GLU 74 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2x4q h GLU 74 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2x4q h GLU 74 CO 0.73 0.00 -0.58 1.63 -0.73 0.00 0.00 179.01 180.06 2x4q n LYS 75 N -3.02 3.58 -2.53 1.92 5.02 -1.26 -4.98 118.16 116.89 2x4q n LYS 75 Ca 0.03 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 2x4q n LYS 75 Cb 0.45 -0.88 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.89 7.10 -0.13 4.39 1.01 -1.25 -5.03 116.67 120.87 2x4q s ASP 76 Ca 0.01 1.72 -0.07 0.00 0.71 0.00 0.00 52.55 54.92 2x4q s ASP 76 Cb 0.04 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2x4q s ASP 76 CO 0.23 -0.55 0.12 -1.61 0.21 0.00 0.00 175.17 173.57 2x4q s GLU 77 N 2.21 3.53 0.12 8.23 2.02 -1.26 -4.79 118.70 128.75 2x4q s GLU 77 Ca 0.53 -0.18 0.08 0.00 0.02 0.00 0.00 54.97 55.43 2x4q s GLU 77 Cb -0.23 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2x4q s GLU 77 CO 0.20 0.68 -0.20 0.71 0.02 0.00 0.00 175.26 176.68 2x4q s TYR 78 N -0.76 1.79 0.17 1.61 2.02 -1.26 0.96 117.35 121.87 2x4q s TYR 78 Ca 0.13 -0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 56.16 2x4q s TYR 78 Cb -0.12 -0.96 0.06 0.00 -0.40 0.00 0.00 41.96 40.54 2x4q s TYR 78 CO 0.03 0.23 0.81 0.00 -1.57 0.00 0.00 175.55 175.05 2x4q s ALA 79 N -1.40 -1.52 -0.09 3.71 0.00 -0.64 -1.44 121.76 120.37 2x4q s ALA 79 Ca 0.09 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.25 2x4q s ALA 79 Cb -0.09 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2x4q s ALA 79 CO 0.05 -0.94 -0.21 0.00 0.00 0.00 0.00 175.76 174.65 2x4q s ARG 81 N 0.42 3.46 -0.10 0.00 3.52 0.32 -0.67 118.95 125.91 2x4q s ARG 81 Ca -0.18 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2x4q s ARG 81 Cb -0.17 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2x4q s ARG 81 CO 0.08 -0.06 -0.20 0.08 -0.81 0.00 0.00 175.30 174.38 2x4q s VAL 82 N 1.15 2.46 0.01 7.11 1.01 0.87 -1.43 120.40 131.57 2x4q s VAL 82 Ca 0.02 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2x4q s VAL 82 Cb -0.15 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2x4q s VAL 82 CO -0.00 0.55 -0.25 0.21 0.00 0.00 0.00 175.10 175.61 2x4q s ASN 83 N 0.14 2.93 0.07 3.32 2.47 0.24 -0.10 114.94 124.00 2x4q s ASN 83 Ca -0.10 -0.50 -0.19 0.00 0.42 0.00 0.00 52.86 52.49 2x4q s ASN 83 Cb -0.16 -0.30 0.04 0.00 -1.45 0.00 0.00 41.25 39.38 2x4q s ASN 83 CO 0.06 0.28 0.45 -2.28 -3.72 0.00 0.00 177.10 171.89 2x4q s HIS 84 N -0.67 -0.31 0.43 0.43 5.65 -1.26 -1.71 115.29 117.85 2x4q s HIS 84 Ca 0.10 0.23 0.25 0.00 0.25 0.00 0.00 55.06 55.89 2x4q s HIS 84 Cb -0.10 0.28 1.28 0.00 -1.18 0.00 0.00 32.58 32.86 2x4q s HIS 84 CO 0.00 -0.63 1.71 -0.24 -0.65 0.00 0.00 174.74 174.93 2x4q h VAL 85 N 2.77 0.34 -0.00 0.89 3.04 -1.96 0.36 116.25 121.68 2x4q h VAL 85 Ca -0.32 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2x4q h VAL 85 Cb 1.22 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2x4q h VAL 85 CO 0.43 0.04 -0.00 0.35 -1.01 0.00 0.00 177.57 177.38 2x4q n THR 86 N -4.62 0.00 -3.82 3.17 -2.24 -1.26 -4.73 114.28 100.79 2x4q n THR 86 Ca 0.31 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.72 2x4q n THR 86 Cb 1.15 -0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.77 2x4q n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2x4q s LEU 87 N -2.24 3.47 0.47 3.22 1.43 0.13 -4.97 118.68 120.18 2x4q s LEU 87 Ca 0.40 -0.55 0.18 0.00 -1.03 0.00 0.00 54.13 53.12 2x4q s LEU 87 Cb 0.21 -1.83 1.16 0.00 0.03 0.00 0.00 46.19 45.76 2x4q s LEU 87 CO 0.41 -0.11 1.99 0.77 0.23 0.00 0.00 176.35 179.64 2x4q h SER 88 N 8.18 0.23 -5.11 2.29 4.64 -1.85 -3.42 113.55 118.52 2x4q h SER 88 Ca -0.35 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 2x4q h SER 88 Cb 1.14 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 63.06 2x4q h SER 88 CO 0.60 0.14 -0.15 0.00 -0.87 0.00 0.00 176.83 176.54 2x4q s GLN 89 N -5.26 1.05 0.12 4.77 -2.07 -1.26 -5.12 119.66 111.89 2x4q s GLN 89 Ca -0.07 -0.82 -0.34 0.00 -1.82 0.00 0.00 55.36 52.31 2x4q s GLN 89 Cb 0.20 0.44 -0.14 0.00 -1.09 0.00 0.00 33.01 32.41 2x4q s GLN 89 CO 0.74 -0.40 1.59 -2.30 -1.32 0.00 0.00 175.29 173.59 2x4q n PRO 90 N -0.20 2.02 -3.56 9.60 -0.02 -1.26 -4.90 135.00 136.68 2x4q n PRO 90 Ca -0.15 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 2x4q n PRO 90 Cb 0.63 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 2x4q n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2x4q s LYS 91 N 1.25 4.08 -0.24 -0.52 2.20 0.86 -4.86 119.74 122.51 2x4q s LYS 91 Ca 0.81 0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2x4q s LYS 91 Cb -0.72 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2x4q s LYS 91 CO 0.41 0.40 -0.02 0.42 -0.36 0.00 0.00 175.35 176.20 2x4q s ILE 92 N -0.06 3.36 -0.24 5.43 1.01 -1.26 -0.09 121.20 129.36 2x4q s ILE 92 Ca 0.19 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 2x4q s ILE 92 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2x4q s ILE 92 CO 0.06 0.31 0.02 -0.69 0.00 0.00 0.00 174.94 174.64 2x4q s VAL 93 N 1.45 3.85 0.36 2.92 1.01 0.15 -4.97 120.40 125.17 2x4q s VAL 93 Ca 0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2x4q s VAL 93 Cb -0.15 -2.78 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 2x4q s VAL 93 CO -0.03 0.38 0.84 -0.54 0.00 0.00 0.00 175.10 175.76 2x4q s LYS 94 N 1.55 4.18 -0.27 2.72 1.02 -1.26 -0.38 119.74 127.29 2x4q s LYS 94 Ca 0.06 0.94 -0.26 0.00 0.02 0.00 0.00 55.97 56.73 2x4q s LYS 94 Cb -0.15 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2x4q s LYS 94 CO 0.00 0.12 0.90 -0.46 -0.92 0.00 0.00 175.35 174.99 2x4q s TRP 95 N -1.98 3.26 -0.66 3.18 -0.00 -0.52 -4.85 118.94 117.36 2x4q s TRP 95 Ca 0.56 1.12 -0.16 0.00 -0.00 0.00 0.00 56.10 57.62 2x4q s TRP 95 Cb -0.11 -3.25 0.15 0.00 -0.00 0.00 0.00 33.47 30.25 2x4q s TRP 95 CO 0.17 -0.53 0.68 0.34 -0.00 0.00 0.00 176.95 177.60 2x4q s ASP 96 N 1.45 6.38 0.00 5.86 -1.08 -1.26 -4.80 116.67 123.22 2x4q s ASP 96 Ca 0.38 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.44 2x4q s ASP 96 Cb -0.14 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2x4q s ASP 96 CO 0.10 -0.86 0.87 -1.14 0.52 0.00 0.00 175.17 174.66 2x4q n ARG 97 N 5.28 0.00 0.00 4.34 0.63 -1.26 -5.01 116.66 120.64 2x4q n ARG 97 Ca -0.02 0.62 0.12 0.00 -0.92 0.00 0.00 57.85 57.65 2x4q n ARG 97 Cb 0.43 -1.37 0.70 0.00 0.45 0.00 0.00 32.46 32.67 2x4q n ARG 97 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72