#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1onq s GLN 2 N 0.00 1.56 -0.06 6.28 -0.21 -1.26 -4.71 119.66 121.26 1onq s GLN 2 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1onq s GLN 2 Cb 0.00 -1.54 0.01 0.00 1.00 0.00 0.00 33.01 32.48 1onq s GLN 2 CO 0.00 0.42 -0.13 1.03 -2.12 0.00 0.00 175.29 174.48 1onq s ARG 3 N -0.62 1.68 0.26 2.91 0.52 -0.39 -4.93 118.95 118.39 1onq s ARG 3 Ca 0.08 -0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 54.60 1onq s ARG 3 Cb -0.08 -1.41 -0.09 0.00 0.52 0.00 0.00 34.95 33.89 1onq s ARG 3 CO -0.00 0.09 0.81 0.95 0.02 0.00 0.00 175.30 177.17 1onq s THR 4 N 0.46 4.41 0.28 0.02 -4.23 -1.26 -1.67 115.64 113.66 1onq s THR 4 Ca -0.11 1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 61.64 1onq s THR 4 Cb -0.14 -3.94 -0.10 0.00 1.34 0.00 0.00 72.50 69.66 1onq s THR 4 CO 0.03 0.21 1.16 -2.16 -0.54 0.00 0.00 174.62 173.32 1onq s PRO 5 N -1.94 4.56 0.04 3.99 0.04 -1.26 -4.39 135.00 136.05 1onq s PRO 5 Ca 0.45 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 1onq s PRO 5 Cb -0.18 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1onq s PRO 5 CO 0.22 0.09 0.46 0.21 0.04 0.00 0.00 177.00 178.02 1onq s LYS 6 N -1.42 3.97 -0.06 4.56 2.20 -0.01 -4.95 119.74 124.03 1onq s LYS 6 Ca 0.46 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 1onq s LYS 6 Cb -0.34 -3.16 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1onq s LYS 6 CO 0.44 0.64 -0.03 0.42 -0.36 0.00 0.00 175.35 176.45 1onq s ILE 7 N -1.17 0.52 -0.04 5.43 1.01 -1.26 -1.55 121.20 124.14 1onq s ILE 7 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1onq s ILE 7 Cb -0.17 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.74 1onq s ILE 7 CO 0.16 0.25 -0.01 -1.10 0.00 0.00 0.00 174.94 174.23 1onq s GLN 8 N 1.31 0.54 -0.07 2.79 -0.21 -0.70 -4.99 119.66 118.33 1onq s GLN 8 Ca -0.05 0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.39 1onq s GLN 8 Cb -0.14 -0.70 -0.02 0.00 1.00 0.00 0.00 33.01 33.15 1onq s GLN 8 CO -0.02 -0.15 -0.16 0.08 -2.12 0.00 0.00 175.29 172.92 1onq s VAL 9 N 1.19 2.87 -0.04 1.09 1.01 -1.26 -0.74 120.40 124.51 1onq s VAL 9 Ca -0.07 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1onq s VAL 9 Cb -0.14 -2.13 0.10 0.00 0.00 0.00 0.00 36.38 34.21 1onq s VAL 9 CO -0.02 0.57 0.81 -0.72 0.00 0.00 0.00 175.10 175.75 1onq s TYR 10 N -0.41 -0.48 0.25 5.22 1.13 -0.71 -4.92 117.35 117.42 1onq s TYR 10 Ca 0.05 0.64 -0.01 0.00 -1.41 0.00 0.00 57.07 56.34 1onq s TYR 10 Cb -0.12 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 1onq s TYR 10 CO 0.02 -0.55 0.45 -1.54 -2.51 0.00 0.00 175.55 171.42 1onq s SER 11 N -1.70 6.37 0.16 -0.18 1.04 -1.26 -0.20 113.70 117.93 1onq s SER 11 Ca -0.03 0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1onq s SER 11 Cb -0.01 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1onq s SER 11 CO -0.01 -0.13 1.38 -0.09 0.98 0.00 0.00 173.24 175.38 1onq h ARG 12 N 1.58 0.25 -5.59 4.02 9.65 -1.67 -3.47 114.38 119.15 1onq h ARG 12 Ca -0.49 -0.26 -0.47 0.00 -1.10 0.00 0.00 59.98 57.67 1onq h ARG 12 Cb 1.20 0.07 -0.14 0.00 -1.39 0.00 0.00 29.97 29.71 1onq h ARG 12 CO 0.65 0.96 -0.72 -1.01 2.80 0.00 0.00 179.97 182.66 1onq s HIS 13 N -3.29 1.81 0.28 2.20 3.76 -1.26 -5.03 115.29 113.76 1onq s HIS 13 Ca -0.04 -0.59 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 1onq s HIS 13 Cb 0.10 -0.89 -0.13 0.00 1.11 0.00 0.00 32.58 32.78 1onq s HIS 13 CO 0.83 0.36 1.47 -0.35 -0.85 0.00 0.00 174.74 176.20 1onq n PRO 14 N -0.45 2.31 -1.95 8.40 -0.04 -1.26 -4.91 135.00 137.10 1onq n PRO 14 Ca -0.07 0.82 -0.41 0.00 -0.04 0.00 0.00 63.50 63.80 1onq n PRO 14 Cb 0.61 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 1onq n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1onq s ALA 15 N -0.20 3.62 -0.21 0.55 0.00 -1.26 -5.00 121.76 119.26 1onq s ALA 15 Ca 0.65 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.97 1onq s ALA 15 Cb -0.58 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.08 1onq s ALA 15 CO 0.51 -0.82 0.34 -1.21 0.00 0.00 0.00 175.76 174.58 1onq s GLU 16 N -0.86 0.29 0.17 0.00 2.02 -1.26 -5.13 118.70 113.93 1onq s GLU 16 Ca 0.58 0.59 -0.32 0.00 0.02 0.00 0.00 54.97 55.83 1onq s GLU 16 Cb -0.43 -0.41 -0.12 0.00 0.10 0.00 0.00 34.13 33.26 1onq s GLU 16 CO 0.48 -0.53 1.73 0.09 0.02 0.00 0.00 175.26 177.06 1onq n ASN 17 N 5.36 3.82 0.00 -0.19 3.02 -1.26 -2.10 115.26 123.91 1onq n ASN 17 Ca -0.05 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1onq n ASN 17 Cb 0.50 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 1onq n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1onq n GLY 18 N 3.95 0.82 3.48 7.41 0.00 -0.57 -5.01 105.19 115.27 1onq n GLY 18 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1onq n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1onq s LYS 19 N -0.33 2.62 0.34 1.61 2.20 -0.89 -5.02 119.74 120.27 1onq s LYS 19 Ca 0.00 -0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 54.65 1onq s LYS 19 Cb 0.00 -2.43 -0.10 0.00 -1.51 0.00 0.00 37.83 33.79 1onq s LYS 19 CO 0.00 0.59 1.28 0.45 -0.36 0.00 0.00 175.35 177.31 1onq s SER 20 N -0.63 6.77 0.16 1.43 0.15 -1.26 -4.21 113.70 116.11 1onq s SER 20 Ca 0.09 2.63 0.02 0.00 0.70 0.00 0.00 55.95 59.39 1onq s SER 20 Cb -0.11 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1onq s SER 20 CO 0.01 -0.53 0.17 -3.20 1.20 0.00 0.00 173.24 170.90 1onq n ASN 21 N 0.75 -0.46 -4.06 5.45 2.85 0.19 -5.00 115.26 114.97 1onq n ASN 21 Ca 0.00 -2.01 -0.25 0.00 -0.11 0.00 0.00 54.58 52.21 1onq n ASN 21 Cb 0.42 0.97 -0.16 0.00 1.24 0.00 0.00 39.78 42.25 1onq n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1onq s PHE 22 N -3.13 1.51 -0.17 1.20 0.08 -1.26 -1.93 117.98 114.28 1onq s PHE 22 Ca 0.18 -0.50 -0.07 0.00 0.12 0.00 0.00 56.93 56.66 1onq s PHE 22 Cb 0.00 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1onq s PHE 22 CO 0.12 -0.22 0.06 -1.17 -0.10 0.00 0.00 175.22 173.91 1onq s LEU 23 N 0.38 3.82 0.05 -0.37 2.96 -0.38 -1.52 118.68 123.63 1onq s LEU 23 Ca -0.10 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1onq s LEU 23 Cb -0.13 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1onq s LEU 23 CO 0.03 0.21 -0.23 0.20 -1.32 0.00 0.00 176.35 175.23 1onq s ASN 24 N 0.17 2.81 -0.19 3.68 0.01 0.73 -2.17 114.94 119.97 1onq s ASN 24 Ca 0.04 -0.57 -0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1onq s ASN 24 Cb -0.12 -0.24 0.06 0.00 0.41 0.00 0.00 41.25 41.36 1onq s ASN 24 CO 0.01 0.20 0.04 0.00 -1.51 0.00 0.00 177.10 175.84 1onq s TYR 26 N 1.89 3.22 -0.25 0.00 5.04 0.08 -1.05 117.35 126.28 1onq s TYR 26 Ca -0.00 -0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1onq s TYR 26 Cb -0.17 -2.45 0.01 0.00 0.35 0.00 0.00 41.96 39.70 1onq s TYR 26 CO -0.09 -0.37 -0.02 0.08 -1.34 0.00 0.00 175.55 173.81 1onq s VAL 27 N 1.71 3.27 0.19 3.14 1.01 -0.35 -1.71 120.40 127.65 1onq s VAL 27 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1onq s VAL 27 Cb -0.17 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1onq s VAL 27 CO 0.10 0.24 0.05 -0.94 0.00 0.00 0.00 175.10 174.55 1onq s SER 28 N 1.41 0.95 -0.80 3.32 1.04 -0.59 -0.45 113.70 118.58 1onq s SER 28 Ca 0.02 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1onq s SER 28 Cb -0.16 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1onq s SER 28 CO -0.03 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1onq n GLY 29 N -0.29 0.24 3.66 7.32 0.00 -0.06 -0.83 105.19 115.23 1onq n GLY 29 Ca -0.03 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1onq n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1onq s PHE 30 N -2.42 2.81 -0.28 1.61 -0.71 -1.10 -4.16 117.98 113.73 1onq s PHE 30 Ca 0.00 -0.16 -0.16 0.00 -1.04 0.00 0.00 56.93 55.57 1onq s PHE 30 Cb 0.00 -1.33 0.08 0.00 -1.21 0.00 0.00 43.02 40.56 1onq s PHE 30 CO 0.00 0.54 0.69 -1.58 -1.34 0.00 0.00 175.22 173.53 1onq s HIS 31 N -1.87 -1.08 0.65 3.49 2.46 -0.67 -0.24 115.29 118.04 1onq s HIS 31 Ca 0.28 2.13 -0.11 0.00 0.47 0.00 0.00 55.06 57.84 1onq s HIS 31 Cb -0.09 0.65 0.15 0.00 -0.13 0.00 0.00 32.58 33.16 1onq s HIS 31 CO 0.19 -0.53 0.89 -0.35 -2.47 0.00 0.00 174.74 172.46 1onq n PRO 32 N 4.38 -0.84 0.08 2.88 -0.04 -1.26 -1.26 135.00 138.94 1onq n PRO 32 Ca -0.19 -1.40 -0.06 0.00 -0.04 0.00 0.00 63.50 61.81 1onq n PRO 32 Cb 0.58 -0.91 -0.06 0.00 -0.04 0.00 0.00 33.50 33.08 1onq n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1onq h SER 33 N -1.15 0.00 -2.10 3.54 4.64 -2.00 -3.44 113.55 113.04 1onq h SER 33 Ca -0.29 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.44 1onq h SER 33 Cb 0.80 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1onq h SER 33 CO 0.21 0.91 1.15 -0.67 -0.87 0.00 0.00 176.83 177.56 1onq n ASP 34 N -3.43 3.63 -3.66 4.97 2.03 -1.26 -4.95 116.55 113.88 1onq n ASP 34 Ca -0.00 0.94 -0.14 0.00 0.52 0.00 0.00 54.79 56.10 1onq n ASP 34 Cb 0.87 -1.41 -0.07 0.00 -0.72 0.00 0.00 41.12 39.79 1onq n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1onq s ILE 35 N 4.29 0.04 -0.16 5.18 2.07 -1.26 -4.63 121.20 126.73 1onq s ILE 35 Ca 0.92 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 59.83 1onq s ILE 35 Cb -0.62 -0.84 0.02 0.00 0.13 0.00 0.00 42.46 41.14 1onq s ILE 35 CO 0.49 -0.19 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.42 1onq s GLU 36 N -1.77 2.95 -0.07 3.50 2.12 -0.52 -5.01 118.70 119.90 1onq s GLU 36 Ca -0.10 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.42 1onq s GLU 36 Cb -0.02 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.91 1onq s GLU 36 CO 0.03 -0.14 -0.07 0.08 -0.54 0.00 0.00 175.26 174.62 1onq s VAL 37 N 1.12 0.81 -0.01 3.70 1.01 -1.26 -0.99 120.40 124.77 1onq s VAL 37 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1onq s VAL 37 Cb -0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1onq s VAL 37 CO -0.09 0.30 -0.13 -1.81 0.00 0.00 0.00 175.10 173.38 1onq s ASP 38 N 1.18 1.52 -0.02 3.32 1.01 -0.45 -5.00 116.67 118.23 1onq s ASP 38 Ca -0.06 -0.23 -0.15 0.00 0.71 0.00 0.00 52.55 52.81 1onq s ASP 38 Cb -0.14 -0.17 -0.06 0.00 1.01 0.00 0.00 42.92 43.56 1onq s ASP 38 CO -0.02 0.16 0.42 -0.76 0.21 0.00 0.00 175.17 175.19 1onq s LEU 39 N -0.30 4.45 0.02 1.23 1.43 -1.26 -0.62 118.68 123.63 1onq s LEU 39 Ca 0.05 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.17 1onq s LEU 39 Cb -0.05 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1onq s LEU 39 CO -0.00 0.27 -0.19 -0.76 0.23 0.00 0.00 176.35 175.89 1onq s LEU 40 N -0.80 2.51 -0.20 1.79 1.43 0.60 -0.32 118.68 123.69 1onq s LEU 40 Ca 0.24 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1onq s LEU 40 Cb -0.17 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1onq s LEU 40 CO 0.13 0.28 -0.13 -0.75 0.23 0.00 0.00 176.35 176.11 1onq s LYS 41 N -1.21 2.29 -1.40 1.70 2.20 -0.30 -1.92 119.74 121.11 1onq s LYS 41 Ca 0.13 -0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 54.77 1onq s LYS 41 Cb -0.10 -2.49 0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1onq s LYS 41 CO 0.03 -0.38 1.00 0.09 -0.36 0.00 0.00 175.35 175.73 1onq n ASN 42 N 4.64 -4.30 0.00 1.43 3.02 0.93 -2.05 115.26 118.93 1onq n ASN 42 Ca -0.16 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1onq n ASN 42 Cb 0.47 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 1onq n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1onq n GLY 43 N -1.70 2.61 3.61 7.41 0.00 -1.26 -4.99 105.19 110.86 1onq n GLY 43 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1onq n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1onq s GLU 44 N -0.01 3.52 0.12 1.61 0.41 -0.87 -4.95 118.70 118.54 1onq s GLU 44 Ca 0.00 -0.42 -0.35 0.00 -0.41 0.00 0.00 54.97 53.78 1onq s GLU 44 Cb 0.00 -2.96 -0.16 0.00 -1.78 0.00 0.00 34.13 29.23 1onq s GLU 44 CO 0.00 0.42 1.40 -2.13 -0.49 0.00 0.00 175.26 174.46 1onq n ARG 45 N 3.03 1.50 -3.06 1.61 0.63 -1.26 -1.15 116.66 117.96 1onq n ARG 45 Ca -0.18 0.54 -0.39 0.00 -0.92 0.00 0.00 57.85 56.90 1onq n ARG 45 Cb 0.53 -2.21 -0.06 0.00 0.45 0.00 0.00 32.46 31.18 1onq n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1onq s ILE 46 N 0.52 4.64 -0.13 5.15 1.01 0.56 -4.83 121.20 128.12 1onq s ILE 46 Ca 0.81 1.53 -0.21 0.00 0.00 0.00 0.00 60.65 62.79 1onq s ILE 46 Cb -0.85 -4.06 -0.18 0.00 0.01 0.00 0.00 42.46 37.38 1onq s ILE 46 CO 0.45 0.45 0.53 -0.33 0.00 0.00 0.00 174.94 176.04 1onq h GLU 47 N 5.05 0.00 -3.85 2.79 4.39 -1.93 -3.41 114.58 117.62 1onq h GLU 47 Ca -0.46 0.00 -0.79 0.00 0.34 0.00 0.00 59.36 58.45 1onq h GLU 47 Cb 1.21 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.60 1onq h GLU 47 CO 0.68 0.72 0.14 0.15 -1.16 0.00 0.00 179.01 179.54 1onq s LYS 48 N -2.04 3.64 -0.11 2.33 -0.14 -1.26 -4.99 119.74 117.18 1onq s LYS 48 Ca -0.14 -2.49 0.03 0.00 -1.36 0.00 0.00 55.97 52.01 1onq s LYS 48 Cb -0.02 -4.45 -0.00 0.00 -1.68 0.00 0.00 37.83 31.68 1onq s LYS 48 CO 0.49 -1.30 -0.22 0.08 -0.76 0.00 0.00 175.35 173.64 1onq s VAL 49 N 0.14 2.21 0.30 3.17 1.01 -1.26 -4.84 120.40 121.13 1onq s VAL 49 Ca 0.19 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1onq s VAL 49 Cb -0.10 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1onq s VAL 49 CO -0.09 0.55 0.55 -1.61 0.00 0.00 0.00 175.10 174.51 1onq s GLU 50 N 0.38 3.62 0.05 2.72 0.41 -0.76 -4.93 118.70 120.19 1onq s GLU 50 Ca -0.17 -0.03 -0.07 0.00 -0.41 0.00 0.00 54.97 54.29 1onq s GLU 50 Cb -0.17 -2.65 -0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1onq s GLU 50 CO 0.08 0.20 0.15 -3.38 -0.49 0.00 0.00 175.26 171.82 1onq s HIS 51 N -2.11 0.17 0.83 1.61 -3.43 -1.26 -1.14 115.29 109.96 1onq s HIS 51 Ca 0.44 -0.50 -0.12 0.00 -0.80 0.00 0.00 55.06 54.07 1onq s HIS 51 Cb -0.11 -0.10 0.09 0.00 -1.43 0.00 0.00 32.58 31.03 1onq s HIS 51 CO 0.31 -0.44 1.12 -1.54 -2.00 0.00 0.00 174.74 172.18 1onq s SER 52 N -2.41 4.20 0.53 7.38 1.04 -0.35 -4.99 113.70 119.10 1onq s SER 52 Ca -0.01 1.12 -0.21 0.00 0.48 0.00 0.00 55.95 57.33 1onq s SER 52 Cb 0.02 -1.78 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 1onq s SER 52 CO -0.07 -2.13 1.22 -1.81 0.98 0.00 0.00 173.24 171.43 1onq s ASP 53 N -4.04 5.61 0.28 7.02 1.11 -1.26 -4.79 116.67 120.60 1onq s ASP 53 Ca 0.62 2.42 -0.30 0.00 0.18 0.00 0.00 52.55 55.47 1onq s ASP 53 Cb -0.14 -2.61 -0.11 0.00 1.07 0.00 0.00 42.92 41.13 1onq s ASP 53 CO 0.53 -1.31 1.61 -0.22 1.18 0.00 0.00 175.17 176.96 1onq s LEU 54 N -3.54 4.35 0.27 1.23 2.96 -1.26 -4.88 118.68 117.79 1onq s LEU 54 Ca 0.71 2.93 0.03 0.00 -0.22 0.00 0.00 54.13 57.57 1onq s LEU 54 Cb -0.31 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 1onq s LEU 54 CO 0.36 -0.92 0.20 -0.55 -1.32 0.00 0.00 176.35 174.12 1onq s SER 55 N 0.59 0.94 0.06 3.68 0.15 -1.20 -5.04 113.70 112.88 1onq s SER 55 Ca 0.65 -1.57 0.01 0.00 0.70 0.00 0.00 55.95 55.74 1onq s SER 55 Cb -0.48 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1onq s SER 55 CO 0.45 -0.94 -0.05 0.72 1.20 0.00 0.00 173.24 174.63 1onq s PHE 56 N -3.80 0.59 0.80 3.44 -0.71 -1.26 -1.43 117.98 115.61 1onq s PHE 56 Ca 0.39 -0.81 -0.11 0.00 -1.04 0.00 0.00 56.93 55.37 1onq s PHE 56 Cb 0.05 -0.38 0.18 0.00 -1.21 0.00 0.00 43.02 41.65 1onq s PHE 56 CO 0.19 -0.22 1.09 0.43 -1.34 0.00 0.00 175.22 175.37 1onq n SER 57 N 0.64 0.34 0.17 1.98 7.64 0.47 -4.91 113.62 119.95 1onq n SER 57 Ca -0.17 -1.55 0.06 0.00 1.01 0.00 0.00 58.87 58.21 1onq n SER 57 Cb 0.58 -0.81 0.53 0.00 -1.01 0.00 0.00 64.21 63.51 1onq n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1onq h LYS 58 N 0.00 0.17 -0.07 1.43 1.63 -2.02 -1.88 116.57 115.83 1onq h LYS 58 Ca -0.35 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1onq h LYS 58 Cb 1.04 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1onq h LYS 58 CO 0.27 0.17 0.00 -0.40 -3.45 0.00 0.00 179.45 176.04 1onq n ASP 59 N -4.46 0.44 0.00 4.20 5.68 -1.26 -4.89 116.55 116.26 1onq n ASP 59 Ca -0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1onq n ASP 59 Cb 0.13 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1onq n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1onq n TRP 60 N -0.32 0.00 -2.53 2.11 7.02 -0.71 -5.03 117.44 117.98 1onq n TRP 60 Ca 0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.16 1onq n TRP 60 Cb 0.08 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.93 1onq n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1onq s SER 61 N -3.60 6.89 0.45 -0.99 1.04 -1.26 -4.68 113.70 111.54 1onq s SER 61 Ca 0.00 2.09 -0.05 0.00 0.48 0.00 0.00 55.95 58.47 1onq s SER 61 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1onq s SER 61 CO 0.00 -0.40 0.75 -0.36 0.98 0.00 0.00 173.24 174.21 1onq s PHE 62 N -1.54 3.55 -0.10 5.02 0.08 0.66 -0.40 117.98 125.25 1onq s PHE 62 Ca 0.55 0.77 -0.18 0.00 0.12 0.00 0.00 56.93 58.18 1onq s PHE 62 Cb -0.24 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1onq s PHE 62 CO 0.31 -0.21 0.45 1.52 -0.10 0.00 0.00 175.22 177.19 1onq s TYR 63 N -2.65 -0.43 0.01 0.36 -0.85 -0.52 -0.88 117.35 112.40 1onq s TYR 63 Ca 0.47 0.92 -0.01 0.00 -0.52 0.00 0.00 57.07 57.93 1onq s TYR 63 Cb -0.10 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.41 1onq s TYR 63 CO 0.42 -0.35 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.58 1onq s LEU 64 N -0.49 2.15 -0.18 -3.49 1.43 0.41 -3.21 118.68 115.29 1onq s LEU 64 Ca -0.06 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1onq s LEU 64 Cb -0.03 0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 1onq s LEU 64 CO 0.03 -0.25 -0.10 -0.22 0.23 0.00 0.00 176.35 176.04 1onq s LEU 65 N -1.20 2.73 -0.08 1.79 2.96 -1.26 -1.22 118.68 122.40 1onq s LEU 65 Ca -0.13 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1onq s LEU 65 Cb -0.08 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1onq s LEU 65 CO -0.01 0.05 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.74 1onq s TYR 66 N 1.03 3.07 0.06 5.38 1.51 -0.22 -1.21 117.35 126.96 1onq s TYR 66 Ca -0.00 0.10 -0.22 0.00 -1.01 0.00 0.00 57.07 55.94 1onq s TYR 66 Cb -0.15 -1.77 0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1onq s TYR 66 CO -0.01 0.39 0.52 1.52 -1.11 0.00 0.00 175.55 176.85 1onq s TYR 67 N -0.79 -0.42 0.04 2.71 1.13 -0.30 -0.45 117.35 119.27 1onq s TYR 67 Ca 0.12 0.43 -0.22 0.00 -1.41 0.00 0.00 57.07 55.99 1onq s TYR 67 Cb -0.11 0.35 0.05 0.00 -1.10 0.00 0.00 41.96 41.15 1onq s TYR 67 CO 0.02 -0.66 0.51 -0.08 -2.51 0.00 0.00 175.55 172.83 1onq s THR 68 N -2.61 0.03 0.59 -3.49 -1.32 -0.92 -1.84 115.64 106.08 1onq s THR 68 Ca -0.04 -0.26 -0.18 0.00 -1.21 0.00 0.00 61.69 59.99 1onq s THR 68 Cb -0.00 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.99 1onq s THR 68 CO -0.03 -0.14 1.15 -0.70 -2.21 0.00 0.00 174.62 172.69 1onq s GLU 69 N -2.34 3.06 0.07 7.08 -6.30 -1.26 -1.25 118.70 117.76 1onq s GLU 69 Ca -0.06 1.63 -0.26 0.00 -2.50 0.00 0.00 54.97 53.78 1onq s GLU 69 Cb -0.01 -1.96 0.09 0.00 0.00 0.00 0.00 34.13 32.24 1onq s GLU 69 CO -0.01 -1.09 0.74 -0.59 0.02 0.00 0.00 175.26 174.33 1onq s PHE 70 N -1.86 -0.46 -0.29 5.30 -0.71 -0.81 -4.82 117.98 114.33 1onq s PHE 70 Ca 0.73 0.32 0.03 0.00 -1.04 0.00 0.00 56.93 56.97 1onq s PHE 70 Cb -0.25 0.54 0.08 0.00 -1.21 0.00 0.00 43.02 42.17 1onq s PHE 70 CO 0.33 -0.70 -0.05 0.99 -1.34 0.00 0.00 175.22 174.45 1onq s THR 71 N -3.30 2.18 0.44 -4.49 2.01 -1.26 -0.63 115.64 110.58 1onq s THR 71 Ca 0.02 -1.89 -0.25 0.00 0.31 0.00 0.00 61.69 59.88 1onq s THR 71 Cb -0.01 -2.41 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1onq s THR 71 CO -0.10 -0.25 1.34 -2.65 -0.69 0.00 0.00 174.62 172.28 1onq n PRO 72 N 4.37 2.06 -4.21 4.92 -0.02 -1.26 -4.80 135.00 136.06 1onq n PRO 72 Ca -0.07 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1onq n PRO 72 Cb 0.42 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 1onq n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1onq s THR 73 N -1.20 0.59 0.12 3.45 2.01 -1.26 -1.51 115.64 117.84 1onq s THR 73 Ca 0.61 -1.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.40 1onq s THR 73 Cb -0.48 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 69.94 1onq s THR 73 CO 0.57 -0.55 1.65 -0.08 -0.69 0.00 0.00 174.62 175.53 1onq h GLU 74 N 2.77 -0.35 0.00 4.92 4.81 -1.98 -3.26 114.58 121.48 1onq h GLU 74 Ca -0.36 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 58.75 1onq h GLU 74 Cb 1.20 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1onq h GLU 74 CO 0.63 -0.24 -0.69 1.57 -0.73 0.00 0.00 179.01 179.55 1onq h LYS 75 N -0.37 0.00 -6.45 1.92 2.10 -2.01 -3.46 116.57 108.30 1onq h LYS 75 Ca 0.05 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.17 1onq h LYS 75 Cb 0.43 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 1onq h LYS 75 CO -0.17 0.69 0.36 -0.51 -2.00 0.00 0.00 179.45 177.81 1onq s ASP 76 N -6.71 7.40 -0.16 7.07 1.01 -1.23 -5.04 116.67 119.01 1onq s ASP 76 Ca 0.00 1.69 -0.05 0.00 0.71 0.00 0.00 52.55 54.89 1onq s ASP 76 Cb 0.11 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1onq s ASP 76 CO 0.77 -0.20 0.03 -1.61 0.21 0.00 0.00 175.17 174.37 1onq s GLU 77 N 0.70 3.72 0.18 8.23 2.02 -1.26 -4.63 118.70 127.66 1onq s GLU 77 Ca 0.50 -0.40 0.11 0.00 0.02 0.00 0.00 54.97 55.21 1onq s GLU 77 Cb -0.22 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1onq s GLU 77 CO 0.28 0.35 -0.24 0.71 0.02 0.00 0.00 175.26 176.39 1onq s TYR 78 N 0.11 2.33 0.07 1.61 1.51 -1.26 -0.05 117.35 121.67 1onq s TYR 78 Ca 0.03 -0.35 -0.27 0.00 -1.01 0.00 0.00 57.07 55.47 1onq s TYR 78 Cb -0.13 -1.17 0.09 0.00 -0.11 0.00 0.00 41.96 40.63 1onq s TYR 78 CO 0.01 0.47 0.97 0.00 -1.11 0.00 0.00 175.55 175.89 1onq s ALA 79 N -1.55 -1.78 -0.10 3.71 0.00 -0.81 -0.97 121.76 120.27 1onq s ALA 79 Ca 0.20 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1onq s ALA 79 Cb -0.08 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1onq s ALA 79 CO 0.09 -0.90 -0.20 0.00 0.00 0.00 0.00 175.76 174.75 1onq s ARG 81 N 0.55 3.33 -0.10 0.00 3.52 0.21 -1.15 118.95 125.31 1onq s ARG 81 Ca -0.15 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1onq s ARG 81 Cb -0.17 -2.68 0.01 0.00 -1.56 0.00 0.00 34.95 30.56 1onq s ARG 81 CO 0.05 0.10 -0.15 0.08 -0.81 0.00 0.00 175.30 174.58 1onq s VAL 82 N 0.63 1.43 -0.03 7.11 1.01 0.61 -1.34 120.40 129.83 1onq s VAL 82 Ca -0.07 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1onq s VAL 82 Cb -0.15 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1onq s VAL 82 CO 0.03 0.43 -0.14 0.21 0.00 0.00 0.00 175.10 175.63 1onq s ASN 83 N 0.97 4.08 0.10 3.32 3.84 -0.16 -0.93 114.94 126.16 1onq s ASN 83 Ca -0.07 -0.23 -0.18 0.00 0.21 0.00 0.00 52.86 52.59 1onq s ASN 83 Cb -0.15 -0.84 0.04 0.00 -0.55 0.00 0.00 41.25 39.75 1onq s ASN 83 CO -0.01 0.32 0.44 -2.28 -2.79 0.00 0.00 177.10 172.78 1onq s HIS 84 N -0.80 -0.29 0.45 0.43 5.65 -1.26 -1.43 115.29 118.03 1onq s HIS 84 Ca 0.13 0.10 0.28 0.00 0.25 0.00 0.00 55.06 55.82 1onq s HIS 84 Cb -0.11 0.29 1.53 0.00 -1.18 0.00 0.00 32.58 33.11 1onq s HIS 84 CO 0.02 -0.68 2.11 -0.24 -0.65 0.00 0.00 174.74 175.30 1onq h VAL 85 N 2.53 0.55 0.00 0.89 3.04 -1.95 -2.18 116.25 119.12 1onq h VAL 85 Ca -0.33 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1onq h VAL 85 Cb 1.24 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1onq h VAL 85 CO 0.44 0.09 0.00 0.35 -1.01 0.00 0.00 177.57 177.45 1onq n THR 86 N -3.67 0.63 -4.24 3.17 -2.24 -1.26 -4.78 114.28 101.89 1onq n THR 86 Ca -0.02 0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 1onq n THR 86 Cb 0.21 -0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 67.52 1onq n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1onq s LEU 87 N -3.25 3.69 0.15 3.22 1.43 -0.82 -4.99 118.68 118.10 1onq s LEU 87 Ca 0.09 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1onq s LEU 87 Cb 0.13 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1onq s LEU 87 CO 0.39 0.32 1.35 0.28 0.23 0.00 0.00 176.35 178.91 1onq h SER 88 N 5.64 0.23 -4.39 2.29 0.02 -1.86 -3.44 113.55 112.04 1onq h SER 88 Ca -0.46 -0.20 -0.29 0.00 -0.84 0.00 0.00 61.79 60.00 1onq h SER 88 Cb 1.19 -0.07 -0.16 0.00 0.14 0.00 0.00 62.40 63.50 1onq h SER 88 CO 0.59 1.03 -0.72 -1.10 -1.14 0.00 0.00 176.83 175.50 1onq s GLN 89 N -3.10 0.87 0.31 3.45 -0.21 -1.26 -5.13 119.66 114.60 1onq s GLN 89 Ca -0.02 -1.25 -0.29 0.00 0.02 0.00 0.00 55.36 53.81 1onq s GLN 89 Cb 0.10 -0.43 -0.12 0.00 1.00 0.00 0.00 33.01 33.56 1onq s GLN 89 CO 0.83 0.05 1.49 -0.35 -2.12 0.00 0.00 175.29 175.19 1onq n PRO 90 N 0.25 2.49 -3.44 2.91 -0.04 -1.26 -4.93 135.00 130.98 1onq n PRO 90 Ca -0.14 0.88 -0.38 0.00 -0.04 0.00 0.00 63.50 63.82 1onq n PRO 90 Cb 0.59 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 1onq n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1onq s LYS 91 N -1.08 4.09 -0.14 0.54 2.47 -0.10 -4.91 119.74 120.61 1onq s LYS 91 Ca 0.61 0.39 0.02 0.00 -1.56 0.00 0.00 55.97 55.43 1onq s LYS 91 Cb -0.53 -3.31 0.01 0.00 -1.46 0.00 0.00 37.83 32.55 1onq s LYS 91 CO 0.55 0.48 -0.19 0.42 0.16 0.00 0.00 175.35 176.76 1onq s ILE 92 N -0.38 1.87 -0.17 5.43 1.09 -1.26 -0.28 121.20 127.50 1onq s ILE 92 Ca 0.24 -0.86 -0.00 0.00 -1.10 0.00 0.00 60.65 58.93 1onq s ILE 92 Cb -0.16 -1.68 0.00 0.00 -1.06 0.00 0.00 42.46 39.56 1onq s ILE 92 CO 0.11 0.51 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.63 1onq s VAL 93 N 1.00 2.65 0.21 2.92 1.01 -0.30 -4.96 120.40 122.92 1onq s VAL 93 Ca -0.04 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1onq s VAL 93 Cb -0.15 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 1onq s VAL 93 CO -0.05 0.51 0.76 -0.75 0.00 0.00 0.00 175.10 175.57 1onq s LYS 94 N 1.01 4.40 -0.04 2.72 2.20 -1.26 -0.76 119.74 128.01 1onq s LYS 94 Ca -0.02 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.31 1onq s LYS 94 Cb -0.15 -3.03 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 1onq s LYS 94 CO -0.03 0.46 1.38 -0.46 -0.36 0.00 0.00 175.35 176.34 1onq s TRP 95 N -1.38 2.81 -0.10 4.03 -0.00 -0.14 -4.92 118.94 119.24 1onq s TRP 95 Ca 0.40 0.83 -0.01 0.00 -0.00 0.00 0.00 56.10 57.32 1onq s TRP 95 Cb -0.19 -3.63 0.03 0.00 -0.00 0.00 0.00 33.47 29.67 1onq s TRP 95 CO 0.23 -2.33 -0.01 0.34 -0.00 0.00 0.00 176.95 175.18 1onq s ASP 96 N 1.99 1.89 0.50 5.86 -1.08 -1.26 -4.61 116.67 119.96 1onq s ASP 96 Ca 0.62 -0.23 0.28 0.00 -0.52 0.00 0.00 52.55 52.71 1onq s ASP 96 Cb -0.29 -0.55 1.26 0.00 -1.46 0.00 0.00 42.92 41.88 1onq s ASP 96 CO 0.24 -0.19 1.96 0.08 0.52 0.00 0.00 175.17 177.79 1onq h ARG 97 N 8.28 0.00 -0.29 4.34 0.11 -2.01 -2.94 114.38 121.87 1onq h ARG 97 Ca -0.21 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.78 1onq h ARG 97 Cb 1.12 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.15 1onq h ARG 97 CO 0.30 0.14 -0.03 -0.25 0.10 0.00 0.00 179.97 180.23 1onq n ASP 98 N -3.39 3.10 0.00 0.08 9.92 -1.26 -5.02 116.55 119.98 1onq n ASP 98 Ca -0.01 -3.39 0.00 0.00 -0.53 0.00 0.00 54.79 50.87 1onq n ASP 98 Cb 0.33 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 1onq n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56