#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysq s SER 2 N 0.00 -0.94 0.19 1.61 0.01 -1.26 -5.17 113.70 108.13 2ysq s SER 2 Ca 0.00 0.97 -0.21 0.00 1.31 0.00 0.00 55.95 58.02 2ysq s SER 2 Cb 0.00 1.95 0.05 0.00 0.21 0.00 0.00 66.02 68.23 2ysq s SER 2 CO 0.00 -0.18 0.59 -0.44 0.41 0.00 0.00 173.24 173.62 2ysq s SER 3 N 2.77 -0.42 0.00 2.44 0.01 -1.26 -5.18 113.70 112.06 2ysq s SER 3 Ca 0.03 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2ysq s SER 3 Cb -0.11 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2ysq s SER 3 CO -0.18 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.03 2ysq n GLY 4 N -0.38 3.87 3.58 3.44 0.00 -1.26 -5.19 105.19 109.26 2ysq n GLY 4 Ca -0.13 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 2ysq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysq s SER 5 N 0.00 0.54 0.04 1.61 0.01 -1.26 -5.19 113.70 109.44 2ysq s SER 5 Ca 0.00 -1.31 -0.27 0.00 1.31 0.00 0.00 55.95 55.67 2ysq s SER 5 Cb 0.00 0.69 0.09 0.00 0.21 0.00 0.00 66.02 67.02 2ysq s SER 5 CO 0.00 -1.36 0.84 -0.44 0.41 0.00 0.00 173.24 172.69 2ysq s SER 6 N -3.16 -0.39 0.23 2.44 0.01 -1.26 -5.14 113.70 106.43 2ysq s SER 6 Ca 0.26 -0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.31 2ysq s SER 6 Cb -0.02 0.43 -0.12 0.00 0.21 0.00 0.00 66.02 66.53 2ysq s SER 6 CO 0.16 -0.71 0.20 0.61 0.41 0.00 0.00 173.24 173.92 2ysq n GLY 7 N -0.28 -1.70 3.36 3.44 0.00 -1.26 -4.84 105.19 103.91 2ysq n GLY 7 Ca -0.10 0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2ysq n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysq s ASP 8 N -0.73 6.82 -0.05 1.61 1.01 -1.26 -4.98 116.67 119.08 2ysq s ASP 8 Ca 0.45 -2.69 -0.02 0.00 0.71 0.00 0.00 52.55 51.00 2ysq s ASP 8 Cb -0.56 -2.26 0.04 0.00 1.01 0.00 0.00 42.92 41.15 2ysq s ASP 8 CO 0.44 -0.64 0.09 -0.44 0.21 0.00 0.00 175.17 174.83 2ysq s SER 9 N 2.38 1.04 -0.28 0.27 0.01 -1.26 -5.13 113.70 110.72 2ysq s SER 9 Ca 0.23 0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.54 2ysq s SER 9 Cb -0.09 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2ysq s SER 9 CO -0.09 -0.25 0.16 -0.63 0.41 0.00 0.00 173.24 172.84 2ysq s ILE 10 N 2.21 4.93 -0.16 1.44 1.01 -1.26 -5.05 121.20 124.31 2ysq s ILE 10 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 2ysq s ILE 10 Cb -0.12 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2ysq s ILE 10 CO -0.04 0.22 0.12 -0.69 0.00 0.00 0.00 174.94 174.55 2ysq s VAL 11 N 1.70 5.32 -0.18 2.92 1.01 -1.26 -5.03 120.40 124.88 2ysq s VAL 11 Ca 0.06 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2ysq s VAL 11 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2ysq s VAL 11 CO 0.08 0.51 -0.19 -0.94 0.00 0.00 0.00 175.10 174.57 2ysq s SER 12 N -0.18 3.13 0.36 3.32 1.04 -1.26 -2.12 113.70 117.99 2ysq s SER 12 Ca 0.10 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 55.95 2ysq s SER 12 Cb -0.12 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 2ysq s SER 12 CO 0.01 -0.02 0.23 0.00 0.98 0.00 0.00 173.24 174.44 2ysq s ALA 13 N 1.31 3.70 -0.09 5.32 0.00 -1.23 -2.12 121.76 128.66 2ysq s ALA 13 Ca 0.04 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.18 2ysq s ALA 13 Cb -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2ysq s ALA 13 CO -0.12 -0.05 -0.10 -2.00 0.00 0.00 0.00 175.76 173.49 2ysq s GLU 14 N -3.94 1.65 -0.22 0.00 2.12 -0.25 -3.34 118.70 114.72 2ysq s GLU 14 Ca 0.41 -0.35 -0.33 0.00 0.36 0.00 0.00 54.97 55.05 2ysq s GLU 14 Cb -0.03 -1.51 -0.10 0.00 0.26 0.00 0.00 34.13 32.75 2ysq s GLU 14 CO 0.25 -0.11 2.07 0.00 -0.54 0.00 0.00 175.26 176.92 2ysq n ALA 15 N 4.33 1.12 0.09 6.30 0.00 -1.21 -0.67 120.51 130.46 2ysq n ALA 15 Ca -0.18 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 2ysq n ALA 15 Cb 0.51 -2.60 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 2ysq n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ysq h VAL 16 N 6.42 1.53 -3.72 0.00 2.07 -1.81 -2.31 116.25 118.43 2ysq h VAL 16 Ca -0.39 -2.76 -0.11 0.00 0.82 0.00 0.00 66.70 64.26 2ysq h VAL 16 Cb 1.28 2.54 -0.17 0.00 -1.52 0.00 0.00 31.29 33.43 2ysq h VAL 16 CO 0.98 0.80 -0.45 0.26 0.02 0.00 0.00 177.57 179.18 2ysq s TRP 17 N -3.11 0.14 -0.21 1.57 0.52 -1.26 -4.85 118.94 111.74 2ysq s TRP 17 Ca -0.02 -0.44 -0.29 0.00 0.02 0.00 0.00 56.10 55.37 2ysq s TRP 17 Cb 0.10 -0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.29 2ysq s TRP 17 CO 0.82 -0.42 1.93 0.16 0.02 0.00 0.00 176.95 179.46 2ysq s ASP 18 N -2.26 5.92 -1.00 2.95 -4.77 -1.26 -4.38 116.67 111.87 2ysq s ASP 18 Ca -0.03 1.77 -0.12 0.00 -3.30 0.00 0.00 52.55 50.87 2ysq s ASP 18 Cb 0.00 -2.52 0.23 0.00 -1.09 0.00 0.00 42.92 39.54 2ysq s ASP 18 CO -0.06 -1.60 1.02 -2.28 0.70 0.00 0.00 175.17 172.95 2ysq s HIS 19 N 6.67 3.90 0.54 2.11 2.46 -1.22 -4.99 115.29 124.77 2ysq s HIS 19 Ca 0.86 -2.26 -0.19 0.00 0.47 0.00 0.00 55.06 53.94 2ysq s HIS 19 Cb -0.30 -3.92 -0.06 0.00 -0.13 0.00 0.00 32.58 28.18 2ysq s HIS 19 CO 0.34 -1.06 1.11 0.14 -2.47 0.00 0.00 174.74 172.81 2ysq s VAL 20 N -0.09 3.27 -0.06 0.89 -7.23 -1.26 -4.19 120.40 111.73 2ysq s VAL 20 Ca 0.27 0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 61.19 2ysq s VAL 20 Cb -0.09 -3.30 0.03 0.00 0.56 0.00 0.00 36.38 33.58 2ysq s VAL 20 CO -0.08 -0.19 0.13 0.42 -0.31 0.00 0.00 175.10 175.07 2ysq s THR 21 N -1.85 -0.03 -1.01 5.32 -4.23 -1.26 -5.01 115.64 107.57 2ysq s THR 21 Ca 0.71 0.13 0.22 0.00 -1.18 0.00 0.00 61.69 61.57 2ysq s THR 21 Cb -0.22 -0.21 0.19 0.00 1.34 0.00 0.00 72.50 73.60 2ysq s THR 21 CO 0.27 0.05 1.72 1.15 -0.54 0.00 0.00 174.62 177.27 2ysq n MET 22 N 3.83 0.01 -4.33 3.99 0.00 -1.26 -4.75 117.12 114.60 2ysq n MET 22 Ca -0.22 0.11 -0.30 0.00 0.00 0.00 0.00 57.70 57.29 2ysq n MET 22 Cb 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.15 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ysq s ALA 23 N -2.99 2.79 0.10 3.17 0.00 -1.26 -5.04 121.76 118.53 2ysq s ALA 23 Ca 0.11 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 2ysq s ALA 23 Cb 0.15 -0.78 -0.14 0.00 0.00 0.00 0.00 23.12 22.34 2ysq s ALA 23 CO 0.41 0.61 1.32 -0.97 0.00 0.00 0.00 175.76 177.13 2ysq h ASN 24 N 3.84 0.94 -0.49 0.00 -1.24 -2.05 -3.33 115.58 113.25 2ysq h ASN 24 Ca -0.49 -0.61 0.04 0.00 0.71 0.00 0.00 56.30 55.96 2ysq h ASN 24 Cb 1.17 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 39.88 2ysq h ASN 24 CO 0.49 1.39 -0.30 0.03 -1.29 0.00 0.00 177.43 177.76 2ysq h ARG 25 N 0.55 -0.01 -6.40 6.67 3.08 -1.96 -3.40 114.38 112.91 2ysq h ARG 25 Ca -0.04 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.40 2ysq h ARG 25 Cb 1.34 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.50 2ysq h ARG 25 CO 0.15 -0.00 0.04 0.39 -1.07 0.00 0.00 179.97 179.48 2ysq n GLU 26 N -4.13 1.15 -2.56 0.04 1.02 -1.25 -4.56 120.64 110.34 2ysq n GLU 26 Ca 0.01 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 2ysq n GLU 26 Cb 0.13 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.80 2ysq n GLU 26 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2ysq s LEU 27 N 0.82 3.22 0.39 -4.62 2.96 -1.14 -4.91 118.68 115.40 2ysq s LEU 27 Ca 0.60 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 2ysq s LEU 27 Cb -0.74 -2.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.25 2ysq s LEU 27 CO 0.59 -1.81 0.88 0.00 -1.32 0.00 0.00 176.35 174.69 2ysq s ALA 28 N 5.64 3.15 0.22 5.97 0.00 -1.26 -4.75 121.76 130.73 2ysq s ALA 28 Ca 0.35 0.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 2ysq s ALA 28 Cb -0.08 -3.03 0.04 0.00 0.00 0.00 0.00 23.12 20.05 2ysq s ALA 28 CO 0.15 0.20 0.84 -0.59 0.00 0.00 0.00 175.76 176.36 2ysq s PHE 29 N -2.07 -0.15 -0.02 0.00 -0.12 -1.26 -5.05 117.98 109.30 2ysq s PHE 29 Ca 0.58 -0.24 0.06 0.00 -0.05 0.00 0.00 56.93 57.28 2ysq s PHE 29 Cb -0.10 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 2ysq s PHE 29 CO 0.15 -1.05 -0.19 0.15 -0.05 0.00 0.00 175.22 174.23 2ysq s LYS 30 N -3.58 2.29 -0.48 1.99 1.02 -1.26 -3.42 119.74 116.30 2ysq s LYS 30 Ca 0.12 -0.83 -0.32 0.00 0.02 0.00 0.00 55.97 54.96 2ysq s LYS 30 Cb -0.04 -2.23 -0.15 0.00 -0.52 0.00 0.00 37.83 34.89 2ysq s LYS 30 CO 0.05 0.59 1.78 0.00 -0.92 0.00 0.00 175.35 176.85 2ysq n ALA 31 N 2.20 0.19 0.00 5.17 0.00 -1.26 -0.77 120.51 126.04 2ysq n ALA 31 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ysq n ALA 31 Cb 0.52 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2ysq n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ysq n GLY 32 N 5.73 3.94 3.65 0.00 0.00 -0.87 -4.99 105.19 112.66 2ysq n GLY 32 Ca 0.45 -0.95 -0.54 0.00 0.00 0.00 0.00 46.02 44.99 2ysq n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ysq n ASP 33 N 0.00 2.15 -4.61 1.61 8.00 0.05 -4.62 116.55 119.13 2ysq n ASP 33 Ca 0.00 1.09 -0.40 0.00 0.71 0.00 0.00 54.79 56.19 2ysq n ASP 33 Cb 0.00 -1.20 -0.08 0.00 -0.02 0.00 0.00 41.12 39.82 2ysq n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ysq s VAL 34 N 1.94 5.11 0.04 2.53 1.01 -1.26 -3.31 120.40 126.46 2ysq s VAL 34 Ca 0.90 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2ysq s VAL 34 Cb -0.96 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 2ysq s VAL 34 CO 0.54 0.11 0.02 -0.63 0.00 0.00 0.00 175.10 175.15 2ysq s ILE 35 N 2.22 4.25 -0.31 2.22 1.09 -1.21 -4.87 121.20 124.58 2ysq s ILE 35 Ca 0.19 -0.73 -0.12 0.00 -1.10 0.00 0.00 60.65 58.89 2ysq s ILE 35 Cb -0.16 -2.97 -0.03 0.00 -1.06 0.00 0.00 42.46 38.25 2ysq s ILE 35 CO 0.09 0.25 0.21 -0.75 -0.10 0.00 0.00 174.94 174.65 2ysq s LYS 36 N -1.96 3.65 -0.15 2.79 2.20 -1.00 -3.52 119.74 121.74 2ysq s LYS 36 Ca 0.24 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.02 2ysq s LYS 36 Cb -0.12 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 2ysq s LYS 36 CO 0.15 -0.34 1.16 0.08 -0.36 0.00 0.00 175.35 176.04 2ysq s VAL 37 N 1.73 4.45 -0.20 4.02 1.01 -0.90 -1.14 120.40 129.37 2ysq s VAL 37 Ca 0.06 1.75 -0.16 0.00 0.00 0.00 0.00 61.98 63.63 2ysq s VAL 37 Cb -0.17 -4.13 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 2ysq s VAL 37 CO 0.10 -0.10 -0.05 0.18 0.00 0.00 0.00 175.10 175.24 2ysq n LEU 38 N 5.99 1.87 -4.09 3.92 4.77 -0.89 -4.28 117.00 124.30 2ysq n LEU 38 Ca 0.12 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.40 2ysq n LEU 38 Cb 0.46 -0.89 -0.13 0.00 -2.33 0.00 0.00 43.42 40.53 2ysq n LEU 38 CO 0.54 0.04 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.60 2ysq s ASP 39 N -6.53 1.19 -0.42 -1.43 2.15 -1.26 -5.04 116.67 105.34 2ysq s ASP 39 Ca -0.26 -0.46 0.11 0.00 0.43 0.00 0.00 52.55 52.37 2ysq s ASP 39 Cb 0.06 -0.04 0.38 0.00 -0.30 0.00 0.00 42.92 43.03 2ysq s ASP 39 CO 0.45 -0.07 0.89 0.00 -0.17 0.00 0.00 175.17 176.26 2ysq n ALA 40 N 1.80 3.39 0.14 3.66 0.00 -1.26 -2.50 120.51 125.75 2ysq n ALA 40 Ca -0.20 -3.77 -0.06 0.00 0.00 0.00 0.00 53.44 49.42 2ysq n ALA 40 Cb 0.55 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2ysq n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ysq h SER 41 N 2.94 -0.31 -2.35 0.00 0.87 -1.98 -3.44 113.55 109.27 2ysq h SER 41 Ca 0.09 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.39 2ysq h SER 41 Cb 0.90 0.08 0.16 0.00 -0.44 0.00 0.00 62.40 63.10 2ysq h SER 41 CO 0.62 -0.22 -0.18 0.59 -0.53 0.00 0.00 176.83 177.11 2ysq n ASN 42 N -2.99 -3.45 0.01 6.23 3.02 -1.24 -4.96 115.26 111.88 2ysq n ASN 42 Ca -0.04 -0.58 -0.22 0.00 -0.03 0.00 0.00 54.58 53.71 2ysq n ASN 42 Cb 0.14 -0.86 -0.14 0.00 -0.61 0.00 0.00 39.78 38.31 2ysq n ASN 42 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ysq h LYS 43 N -3.09 0.27 -0.10 3.52 2.10 -2.04 -3.40 116.57 113.84 2ysq h LYS 43 Ca -0.30 -0.47 -0.14 0.00 -2.00 0.00 0.00 60.65 57.74 2ysq h LYS 43 Cb 0.96 0.17 -0.23 0.00 -0.90 0.00 0.00 32.23 32.24 2ysq h LYS 43 CO 0.18 1.22 -0.80 -3.47 -2.00 0.00 0.00 179.45 174.59 2ysq n ASP 44 N -3.49 1.66 -3.47 7.07 -0.08 -1.26 -4.99 116.55 111.99 2ysq n ASP 44 Ca -0.31 -2.94 -0.18 0.00 -1.51 0.00 0.00 54.79 49.84 2ysq n ASP 44 Cb 1.05 -0.41 -0.12 0.00 2.34 0.00 0.00 41.12 43.97 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 2ysq s TRP 45 N -1.95 -0.30 0.16 -0.67 0.52 -1.26 -4.01 118.94 111.42 2ysq s TRP 45 Ca 0.36 0.11 0.07 0.00 0.02 0.00 0.00 56.10 56.67 2ysq s TRP 45 Cb 0.38 -0.40 -0.04 0.00 -1.15 0.00 0.00 33.47 32.26 2ysq s TRP 45 CO -0.10 -0.68 -0.16 -1.58 0.02 0.00 0.00 176.95 174.45 2ysq s TRP 46 N 2.33 1.66 -0.16 -1.98 0.51 -1.26 -3.60 118.94 116.44 2ysq s TRP 46 Ca 0.08 -0.53 -0.18 0.00 -2.12 0.00 0.00 56.10 53.35 2ysq s TRP 46 Cb -0.15 -0.82 -0.04 0.00 -0.81 0.00 0.00 33.47 31.65 2ysq s TRP 46 CO -0.18 0.28 0.48 -0.46 -0.51 0.00 0.00 176.95 176.56 2ysq s TRP 47 N -2.38 3.44 0.23 -1.98 -0.11 -1.04 -3.10 118.94 114.01 2ysq s TRP 47 Ca 0.16 0.80 0.07 0.00 1.22 0.00 0.00 56.10 58.35 2ysq s TRP 47 Cb -0.04 -2.59 -0.04 0.00 -1.50 0.00 0.00 33.47 29.31 2ysq s TRP 47 CO 0.05 0.05 0.20 0.20 -4.62 0.00 0.00 176.95 172.83 2ysq s GLY 48 N 0.86 1.46 -0.11 5.86 0.00 0.92 -2.10 107.32 114.21 2ysq s GLY 48 Ca 0.24 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 2ysq s GLY 48 CO 0.10 -1.40 0.03 1.62 0.00 0.00 0.00 173.10 173.45 2ysq s GLN 49 N -3.71 0.41 0.15 2.90 0.74 -0.29 -2.62 119.66 117.24 2ysq s GLN 49 Ca 0.33 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.80 2ysq s GLN 49 Cb -0.08 -1.26 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 2ysq s GLN 49 CO 0.25 -0.43 0.16 0.42 -0.55 0.00 0.00 175.29 175.13 2ysq s ILE 50 N 2.01 4.66 0.12 -2.34 1.01 0.55 -2.38 121.20 124.82 2ysq s ILE 50 Ca 0.03 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.49 2ysq s ILE 50 Cb -0.14 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2ysq s ILE 50 CO -0.06 -0.08 1.10 0.47 0.00 0.00 0.00 174.94 176.37 2ysq n ASP 51 N -0.30 -0.75 -0.08 3.58 8.00 -1.26 -3.24 116.55 122.50 2ysq n ASP 51 Ca -0.08 1.27 -0.11 0.00 0.71 0.00 0.00 54.79 56.59 2ysq n ASP 51 Cb 0.54 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 2ysq n ASP 51 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2ysq n ASP 52 N -4.90 2.79 -4.85 -2.24 5.75 -1.26 -5.02 116.55 106.82 2ysq n ASP 52 Ca 0.02 -0.08 -0.31 0.00 -0.01 0.00 0.00 54.79 54.41 2ysq n ASP 52 Cb 0.19 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.05 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ysq s GLU 53 N -2.30 3.48 -0.16 0.11 0.41 -1.20 -5.08 118.70 113.95 2ysq s GLU 53 Ca -0.21 0.88 -0.24 0.00 -0.41 0.00 0.00 54.97 55.00 2ysq s GLU 53 Cb 0.05 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.40 2ysq s GLU 53 CO 0.35 -0.66 0.61 -1.21 -0.49 0.00 0.00 175.26 173.86 2ysq s GLU 54 N -4.84 0.81 0.00 1.61 2.02 -1.26 -0.33 118.70 116.71 2ysq s GLU 54 Ca 0.57 0.61 0.00 0.00 0.02 0.00 0.00 54.97 56.17 2ysq s GLU 54 Cb -0.12 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2ysq s GLU 54 CO 0.48 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.01 2ysq n GLY 55 N 2.11 -0.46 3.42 -1.39 0.00 -1.08 -4.70 105.19 103.09 2ysq n GLY 55 Ca -0.16 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 2ysq n GLY 55 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ysq s TRP 56 N -3.12 2.89 0.12 1.61 1.48 -1.26 -0.06 118.94 120.60 2ysq s TRP 56 Ca 0.00 -0.50 0.10 0.00 -1.06 0.00 0.00 56.10 54.64 2ysq s TRP 56 Cb 0.00 -1.88 -0.04 0.00 -1.16 0.00 0.00 33.47 30.39 2ysq s TRP 56 CO 0.00 -0.13 -0.22 -0.59 -4.06 0.00 0.00 176.95 171.95 2ysq s PHE 57 N 0.30 2.43 0.22 1.66 -0.12 -1.18 -2.90 117.98 118.39 2ysq s PHE 57 Ca -0.08 -0.32 -0.30 0.00 -0.05 0.00 0.00 56.93 56.19 2ysq s PHE 57 Cb -0.15 -1.30 -0.09 0.00 -0.63 0.00 0.00 43.02 40.85 2ysq s PHE 57 CO 0.05 0.37 1.29 -1.25 -0.05 0.00 0.00 175.22 175.63 2ysq s PRO 58 N -2.12 4.40 0.15 1.99 0.04 -1.26 -4.09 135.00 134.11 2ysq s PRO 58 Ca 0.16 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.51 2ysq s PRO 58 Cb -0.10 -3.18 0.63 0.00 0.04 0.00 0.00 34.50 31.89 2ysq s PRO 58 CO 0.08 -0.21 1.58 0.00 0.04 0.00 0.00 177.00 178.49 2ysq n ALA 59 N 2.34 2.62 1.35 8.56 0.00 -1.26 -3.32 120.51 130.80 2ysq n ALA 59 Ca 0.05 -0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.49 2ysq n ALA 59 Cb 0.43 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 19.08 2ysq n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ysq n SER 60 N -2.10 0.68 -0.32 0.00 2.88 -1.26 -3.59 113.62 109.91 2ysq n SER 60 Ca 0.05 -0.70 0.08 0.00 -1.33 0.00 0.00 58.87 56.97 2ysq n SER 60 Cb 0.42 -0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.05 2ysq n SER 60 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2ysq n PHE 61 N -0.83 0.00 -4.01 0.66 3.01 -1.21 -5.02 117.46 110.06 2ysq n PHE 61 Ca 0.14 -1.17 -0.10 0.00 1.01 0.00 0.00 57.45 57.32 2ysq n PHE 61 Cb 0.30 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.47 2ysq n PHE 61 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2ysq s VAL 62 N -2.92 0.25 -0.29 -4.37 -7.23 -1.24 -2.43 120.40 102.18 2ysq s VAL 62 Ca 0.34 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2ysq s VAL 62 Cb 0.31 -0.37 0.01 0.00 0.56 0.00 0.00 36.38 36.88 2ysq s VAL 62 CO -0.01 -0.46 0.08 -0.13 -0.31 0.00 0.00 175.10 174.27 2ysq s ARG 63 N -1.49 3.14 0.56 4.82 1.81 0.16 -4.85 118.95 123.11 2ysq s ARG 63 Ca -0.14 -0.82 -0.20 0.00 -1.72 0.00 0.00 55.73 52.85 2ysq s ARG 63 Cb -0.10 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 2ysq s ARG 63 CO -0.01 -0.42 1.24 -0.51 -0.68 0.00 0.00 175.30 174.93 2ysq s LEU 64 N 1.51 3.76 -0.11 2.53 1.43 -1.26 -1.09 118.68 125.44 2ysq s LEU 64 Ca 0.03 2.48 -0.25 0.00 -1.03 0.00 0.00 54.13 55.36 2ysq s LEU 64 Cb -0.17 -4.47 -0.27 0.00 0.03 0.00 0.00 46.19 41.31 2ysq s LEU 64 CO 0.02 -1.51 0.75 -0.50 0.23 0.00 0.00 176.35 175.35 2ysq h TRP 65 N 1.19 0.20 -0.40 0.29 4.06 -1.80 -3.33 115.95 116.16 2ysq h TRP 65 Ca -0.50 -0.15 -0.26 0.00 2.06 0.00 0.00 58.89 60.04 2ysq h TRP 65 Cb 1.29 -0.01 -0.10 0.00 -1.00 0.00 0.00 29.16 29.34 2ysq h TRP 65 CO 0.47 1.17 0.19 1.33 -3.56 0.00 0.00 178.44 178.04 2ysq n VAL 66 N -4.40 2.72 -2.89 1.49 0.24 -1.26 -4.93 118.33 109.30 2ysq n VAL 66 Ca -0.14 -1.60 -0.36 0.00 -2.04 0.00 0.00 64.34 60.21 2ysq n VAL 66 Cb 0.63 -1.53 -0.06 0.00 -1.47 0.00 0.00 33.84 31.41 2ysq n VAL 66 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2ysq s ASN 67 N 0.94 7.15 -0.36 -1.34 2.47 -1.25 -4.98 114.94 117.56 2ysq s ASN 67 Ca 0.34 1.67 0.06 0.00 0.42 0.00 0.00 52.86 55.35 2ysq s ASN 67 Cb 0.22 -2.52 0.47 0.00 -1.45 0.00 0.00 41.25 37.97 2ysq s ASN 67 CO -0.04 -0.11 1.45 0.00 -3.72 0.00 0.00 177.10 174.67 2ysq n GLN 68 N 0.29 2.77 -4.25 0.43 -0.00 -1.26 -5.01 117.38 110.36 2ysq n GLN 68 Ca 0.02 -3.65 -0.17 0.00 -0.00 0.00 0.00 57.00 53.20 2ysq n GLN 68 Cb 0.51 -2.10 -0.11 0.00 -0.00 0.00 0.00 30.24 28.54 2ysq n GLN 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ysq s GLU 69 N -3.52 1.06 -0.10 2.61 2.12 -1.26 -5.14 118.70 114.46 2ysq s GLU 69 Ca 0.51 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 2ysq s GLU 69 Cb 0.43 -0.86 0.03 0.00 0.26 0.00 0.00 34.13 33.99 2ysq s GLU 69 CO 0.01 0.15 -0.01 0.16 -0.54 0.00 0.00 175.26 175.04 2ysq s ASP 70 N -2.67 1.87 0.08 -1.70 -4.77 -1.26 -5.14 116.67 103.07 2ysq s ASP 70 Ca 0.12 -0.22 0.02 0.00 -3.30 0.00 0.00 52.55 49.17 2ysq s ASP 70 Cb -0.03 -0.53 -0.04 0.00 -1.09 0.00 0.00 42.92 41.23 2ysq s ASP 70 CO 0.03 -0.20 0.12 -1.61 0.70 0.00 0.00 175.17 174.22 2ysq s GLU 71 N 1.91 3.06 -0.41 2.11 0.41 -1.26 -5.09 118.70 119.43 2ysq s GLU 71 Ca 0.04 -0.62 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 2ysq s GLU 71 Cb -0.13 -2.83 0.11 0.00 -1.78 0.00 0.00 34.13 29.51 2ysq s GLU 71 CO -0.06 0.58 0.17 0.08 -0.49 0.00 0.00 175.26 175.54 2ysq s VAL 72 N -1.44 2.88 -0.30 2.63 1.01 -1.26 -5.03 120.40 118.90 2ysq s VAL 72 Ca 0.31 -2.36 -0.14 0.00 0.00 0.00 0.00 61.98 59.80 2ysq s VAL 72 Cb -0.12 -3.02 0.17 0.00 0.00 0.00 0.00 36.38 33.41 2ysq s VAL 72 CO 0.24 -0.68 0.96 -0.70 0.00 0.00 0.00 175.10 174.92 2ysq s GLU 73 N 0.82 0.30 0.00 2.72 -6.30 -1.26 -5.06 118.70 109.93 2ysq s GLU 73 Ca 0.11 0.71 0.00 0.00 -2.50 0.00 0.00 54.97 53.29 2ysq s GLU 73 Cb -0.21 0.42 0.00 0.00 0.00 0.00 0.00 34.13 34.34 2ysq s GLU 73 CO -0.05 -0.16 0.00 -0.85 0.02 0.00 0.00 175.26 174.22 2ysq n GLU 74 N 5.10 0.00 -0.57 4.30 0.00 -1.26 -5.16 120.64 123.06 2ysq n GLU 74 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 2ysq n GLU 74 Cb 0.52 -0.74 0.00 0.00 0.00 0.00 0.00 31.44 31.23 2ysq n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ysq n GLY 75 N 2.82 -3.61 3.66 -1.84 0.00 -1.26 -5.11 105.19 99.85 2ysq n GLY 75 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 2ysq n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysq s SER 76 N -2.34 0.46 0.00 1.61 0.01 -1.26 -5.08 113.70 107.11 2ysq s SER 76 Ca 0.00 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2ysq s SER 76 Cb 0.00 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.00 2ysq s SER 76 CO 0.00 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.74 2ysq n GLY 77 N -0.55 0.80 0.09 3.44 0.00 -1.26 -5.05 105.19 102.65 2ysq n GLY 77 Ca -0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2ysq n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysq h PRO 78 N 0.00 0.14 -1.78 1.61 0.13 -2.06 -3.48 132.00 126.56 2ysq h PRO 78 Ca 0.00 -0.07 0.28 0.00 -0.87 0.00 0.00 66.00 65.34 2ysq h PRO 78 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2ysq h PRO 78 CO 0.00 0.59 0.74 -1.54 -0.23 0.00 0.00 178.00 177.56 2ysq s SER 79 N -5.87 -0.07 -0.26 1.44 1.04 -1.26 -5.17 113.70 103.55 2ysq s SER 79 Ca -0.15 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 55.90 2ysq s SER 79 Cb 0.03 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.48 2ysq s SER 79 CO 0.71 -0.48 0.63 -0.55 0.98 0.00 0.00 173.24 174.53 2ysq s SER 80 N -3.07 -0.86 0.00 7.02 0.15 -1.26 -5.29 113.70 110.39 2ysq s SER 80 Ca 0.16 1.39 0.30 0.00 0.70 0.00 0.00 55.95 58.50 2ysq s SER 80 Cb 0.03 1.27 1.47 0.00 -1.71 0.00 0.00 66.02 67.08 2ysq s SER 80 CO -0.02 -0.23 1.98 0.61 1.20 0.00 0.00 173.24 176.79