#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysq n SER 2 N 0.00 -4.07 -3.64 1.61 2.88 -1.26 -4.96 113.62 104.18 2ysq n SER 2 Ca 0.00 -0.73 -0.07 0.00 -1.33 0.00 0.00 58.87 56.74 2ysq n SER 2 Cb 0.00 -4.23 -0.07 0.00 -0.75 0.00 0.00 64.21 59.16 2ysq n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ysq s SER 3 N -3.63 -0.29 -0.26 -3.46 0.15 -1.26 -5.17 113.70 99.78 2ysq s SER 3 Ca 0.45 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 57.45 2ysq s SER 3 Cb -0.22 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 2ysq s SER 3 CO 0.80 -0.11 0.65 -0.83 1.20 0.00 0.00 173.24 174.95 2ysq s GLY 4 N -0.00 -0.57 -0.38 9.45 0.00 -1.26 -5.10 107.32 109.46 2ysq s GLY 4 Ca 0.05 2.19 -0.34 0.00 0.00 0.00 0.00 44.72 46.62 2ysq s GLY 4 CO -0.09 2.12 1.56 -1.14 0.00 0.00 0.00 173.10 175.55 2ysq n SER 5 N 3.89 0.62 -4.52 1.64 3.41 -1.26 -4.56 113.62 112.84 2ysq n SER 5 Ca -0.19 0.57 -0.34 0.00 -0.26 0.00 0.00 58.87 58.65 2ysq n SER 5 Cb 0.58 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 2ysq n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ysq n SER 6 N 5.28 0.70 0.00 4.04 2.88 -1.26 -4.63 113.62 120.63 2ysq n SER 6 Ca 0.39 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2ysq n SER 6 Cb -0.03 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 2ysq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysq n GLY 7 N 6.24 -0.29 2.67 0.46 0.00 -1.26 -5.11 105.19 107.90 2ysq n GLY 7 Ca 0.57 0.69 -0.27 0.00 0.00 0.00 0.00 46.02 47.00 2ysq n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ysq n ASP 8 N 0.00 1.71 -4.71 1.61 8.00 -1.26 -5.09 116.55 116.80 2ysq n ASP 8 Ca 0.00 -2.91 -0.42 0.00 0.71 0.00 0.00 54.79 52.17 2ysq n ASP 8 Cb 0.00 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.40 2ysq n ASP 8 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ysq s SER 9 N -0.97 7.24 -0.30 -2.24 1.04 -1.26 -5.00 113.70 112.21 2ysq s SER 9 Ca 0.29 1.77 -0.27 0.00 0.48 0.00 0.00 55.95 58.22 2ysq s SER 9 Cb 0.01 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.57 2ysq s SER 9 CO -0.17 -0.37 0.96 -0.63 0.98 0.00 0.00 173.24 174.01 2ysq s ILE 10 N 1.25 4.64 -0.09 -1.02 1.09 -1.26 -5.03 121.20 120.78 2ysq s ILE 10 Ca 0.54 1.57 -0.02 0.00 -1.10 0.00 0.00 60.65 61.64 2ysq s ILE 10 Cb -0.24 -4.30 -0.03 0.00 -1.06 0.00 0.00 42.46 36.83 2ysq s ILE 10 CO 0.27 -0.35 0.01 -0.69 -0.10 0.00 0.00 174.94 174.07 2ysq s VAL 11 N 3.33 4.36 -0.10 2.92 1.01 -1.26 -5.05 120.40 125.60 2ysq s VAL 11 Ca 0.40 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2ysq s VAL 11 Cb -0.13 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.42 2ysq s VAL 11 CO 0.13 0.61 -0.19 -0.94 0.00 0.00 0.00 175.10 174.71 2ysq s SER 12 N -0.88 2.68 0.23 3.32 1.04 -1.26 -1.65 113.70 117.18 2ysq s SER 12 Ca 0.13 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.14 2ysq s SER 12 Cb -0.11 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.74 2ysq s SER 12 CO 0.02 0.08 0.17 0.00 0.98 0.00 0.00 173.24 174.49 2ysq s ALA 13 N 0.67 3.55 -0.18 5.32 0.00 -1.08 -1.92 121.76 128.10 2ysq s ALA 13 Ca -0.13 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.45 2ysq s ALA 13 Cb -0.16 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.71 2ysq s ALA 13 CO 0.03 0.31 -0.17 -2.00 0.00 0.00 0.00 175.76 173.92 2ysq s GLU 14 N -3.67 2.69 -0.31 0.00 2.12 -0.14 -2.72 118.70 116.67 2ysq s GLU 14 Ca 0.32 -0.80 -0.27 0.00 0.36 0.00 0.00 54.97 54.58 2ysq s GLU 14 Cb -0.08 -2.46 -0.06 0.00 0.26 0.00 0.00 34.13 31.79 2ysq s GLU 14 CO 0.24 -0.26 2.28 0.00 -0.54 0.00 0.00 175.26 176.98 2ysq s ALA 15 N 1.33 2.37 -0.04 6.30 0.00 -0.98 -1.93 121.76 128.81 2ysq s ALA 15 Ca 0.03 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2ysq s ALA 15 Cb -0.14 -4.16 -0.25 0.00 0.00 0.00 0.00 23.12 18.57 2ysq s ALA 15 CO -0.11 -3.33 0.67 -0.39 0.00 0.00 0.00 175.76 172.59 2ysq h VAL 16 N 7.33 0.91 -3.34 0.00 -1.51 -1.91 0.17 116.25 117.90 2ysq h VAL 16 Ca -0.36 -2.68 -0.59 0.00 -1.23 0.00 0.00 66.70 61.85 2ysq h VAL 16 Cb 1.25 2.54 -0.34 0.00 -2.13 0.00 0.00 31.29 32.61 2ysq h VAL 16 CO 1.02 0.69 -0.84 0.26 -1.23 0.00 0.00 177.57 177.48 2ysq s TRP 17 N -2.60 1.97 -0.15 5.19 0.52 -1.26 -4.79 118.94 117.83 2ysq s TRP 17 Ca -0.10 -0.83 -0.34 0.00 0.02 0.00 0.00 56.10 54.86 2ysq s TRP 17 Cb 0.07 -1.39 -0.11 0.00 -1.15 0.00 0.00 33.47 30.90 2ysq s TRP 17 CO 0.82 -0.39 1.97 -0.25 0.02 0.00 0.00 176.95 179.12 2ysq n ASP 18 N 3.86 3.23 -3.58 2.95 9.92 -1.26 -4.73 116.55 126.94 2ysq n ASP 18 Ca -0.20 0.79 -0.41 0.00 -0.53 0.00 0.00 54.79 54.44 2ysq n ASP 18 Cb 0.52 -1.38 0.01 0.00 -0.64 0.00 0.00 41.12 39.63 2ysq n ASP 18 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2ysq n HIS 19 N 7.79 2.68 -1.57 1.24 -0.00 -1.19 -4.99 115.22 119.18 2ysq n HIS 19 Ca 0.26 -2.68 -0.47 0.00 0.46 0.00 0.00 57.72 55.29 2ysq n HIS 19 Cb 0.30 -1.50 -0.05 0.00 -0.12 0.00 0.00 29.99 28.62 2ysq n HIS 19 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2ysq n VAL 20 N 0.83 0.38 -4.23 3.57 0.31 -1.26 -4.39 118.33 113.53 2ysq n VAL 20 Ca 0.54 -0.28 -0.18 0.00 -0.01 0.00 0.00 64.34 64.40 2ysq n VAL 20 Cb 0.26 -2.06 -0.15 0.00 -0.91 0.00 0.00 33.84 30.98 2ysq n VAL 20 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ysq s THR 21 N 6.66 0.54 -0.90 2.52 -1.32 -1.26 -5.05 115.64 116.84 2ysq s THR 21 Ca 1.01 -0.23 -0.02 0.00 -1.21 0.00 0.00 61.69 61.24 2ysq s THR 21 Cb -0.61 -0.50 0.28 0.00 -1.51 0.00 0.00 72.50 70.15 2ysq s THR 21 CO 0.45 0.18 2.11 0.80 -2.21 0.00 0.00 174.62 175.95 2ysq n MET 22 N 3.32 3.73 -4.12 7.08 1.56 -1.26 -4.83 117.12 122.60 2ysq n MET 22 Ca -0.18 -3.71 -0.12 0.00 -0.27 0.00 0.00 57.70 53.42 2ysq n MET 22 Cb 0.55 -2.35 -0.11 0.00 2.15 0.00 0.00 33.22 33.46 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2ysq s ALA 23 N -3.53 0.81 -0.15 -5.12 0.00 -1.26 -5.08 121.76 107.44 2ysq s ALA 23 Ca 0.49 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2ysq s ALA 23 Cb 0.33 0.09 -0.14 0.00 0.00 0.00 0.00 23.12 23.40 2ysq s ALA 23 CO -0.27 -0.12 0.28 -0.91 0.00 0.00 0.00 175.76 174.75 2ysq h ASN 24 N 3.72 0.00 -0.83 0.00 4.21 -2.01 -3.37 115.58 117.31 2ysq h ASN 24 Ca -0.36 -0.46 0.10 0.00 1.21 0.00 0.00 56.30 56.79 2ysq h ASN 24 Cb 1.18 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.31 2ysq h ASN 24 CO 0.53 0.95 0.47 0.03 -1.29 0.00 0.00 177.43 178.11 2ysq h ARG 25 N -1.00 0.75 -7.13 0.81 2.47 -1.98 -3.43 114.38 104.87 2ysq h ARG 25 Ca -0.08 -0.04 -0.44 0.00 -1.26 0.00 0.00 59.98 58.15 2ysq h ARG 25 Cb 0.73 -0.17 0.22 0.00 -1.65 0.00 0.00 29.97 29.10 2ysq h ARG 25 CO -0.05 0.49 0.00 -1.21 0.56 0.00 0.00 179.97 179.77 2ysq s GLU 26 N -6.02 -1.01 -0.36 0.04 0.41 -1.26 -2.48 118.70 108.02 2ysq s GLU 26 Ca -0.12 0.89 -0.01 0.00 -0.41 0.00 0.00 54.97 55.32 2ysq s GLU 26 Cb 0.20 -1.54 0.09 0.00 -1.78 0.00 0.00 34.13 31.10 2ysq s GLU 26 CO 0.78 -3.80 0.12 -1.17 -0.49 0.00 0.00 175.26 170.69 2ysq s LEU 27 N -7.28 4.78 0.23 1.80 2.96 0.36 -4.28 118.68 117.26 2ysq s LEU 27 Ca 0.69 -1.85 -0.27 0.00 -0.22 0.00 0.00 54.13 52.47 2ysq s LEU 27 Cb -0.25 -1.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.59 2ysq s LEU 27 CO 0.65 -0.43 0.87 0.00 -1.32 0.00 0.00 176.35 176.12 2ysq s ALA 28 N 1.12 3.35 0.15 5.97 0.00 -1.26 -4.75 121.76 126.34 2ysq s ALA 28 Ca 0.05 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 2ysq s ALA 28 Cb -0.21 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 19.88 2ysq s ALA 28 CO -0.04 0.24 0.87 -0.59 0.00 0.00 0.00 175.76 176.24 2ysq s PHE 29 N -1.29 -0.22 0.33 0.00 -0.71 -1.26 -5.02 117.98 109.82 2ysq s PHE 29 Ca 0.41 -0.08 0.09 0.00 -1.04 0.00 0.00 56.93 56.32 2ysq s PHE 29 Cb -0.23 0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 2ysq s PHE 29 CO 0.28 -0.85 0.00 0.15 -1.34 0.00 0.00 175.22 173.46 2ysq s LYS 30 N -3.41 2.08 -0.15 1.99 3.01 -1.26 -3.18 119.74 118.82 2ysq s LYS 30 Ca 0.10 -1.73 -0.32 0.00 -1.01 0.00 0.00 55.97 53.01 2ysq s LYS 30 Cb -0.02 -1.94 -0.09 0.00 -1.01 0.00 0.00 37.83 34.77 2ysq s LYS 30 CO -0.00 0.15 2.05 0.00 0.51 0.00 0.00 175.35 178.06 2ysq n ALA 31 N -0.94 1.29 0.00 5.17 0.00 -1.26 -1.78 120.51 122.99 2ysq n ALA 31 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ysq n ALA 31 Cb 0.62 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 5.18 1.12 3.72 0.00 0.00 0.05 -5.01 105.19 110.24 2ysq n GLY 32 Ca 0.27 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.43 -4.55 1.61 8.00 -0.73 -4.69 116.55 119.62 2ysq n ASP 33 Ca 0.00 1.15 -0.39 0.00 0.71 0.00 0.00 54.79 56.26 2ysq n ASP 33 Cb 0.00 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 39.46 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 -0.11 5.19 -0.28 2.53 1.01 -1.26 -2.32 120.40 125.16 2ysq s VAL 34 Ca 0.65 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 2ysq s VAL 34 Cb -0.55 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2ysq s VAL 34 CO 0.50 0.16 0.11 -0.63 0.00 0.00 0.00 175.10 175.24 2ysq s ILE 35 N 1.73 4.49 -0.63 2.22 1.09 -1.10 -4.81 121.20 124.19 2ysq s ILE 35 Ca 0.06 -0.27 -0.28 0.00 -1.10 0.00 0.00 60.65 59.07 2ysq s ILE 35 Cb -0.16 -3.19 0.03 0.00 -1.06 0.00 0.00 42.46 38.07 2ysq s ILE 35 CO 0.10 0.21 1.24 -0.75 -0.10 0.00 0.00 174.94 175.64 2ysq s LYS 36 N 1.62 3.40 -0.02 2.79 2.20 -1.16 -2.65 119.74 125.91 2ysq s LYS 36 Ca 0.05 0.11 -0.32 0.00 -0.36 0.00 0.00 55.97 55.46 2ysq s LYS 36 Cb -0.16 -4.07 -0.10 0.00 -1.51 0.00 0.00 37.83 31.99 2ysq s LYS 36 CO 0.05 -1.85 1.96 0.28 -0.36 0.00 0.00 175.35 175.43 2ysq n VAL 37 N 6.59 0.68 -0.11 4.02 0.31 -0.66 -0.54 118.33 128.63 2ysq n VAL 37 Ca 0.07 -0.14 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 2ysq n VAL 37 Cb 0.49 -2.16 -0.11 0.00 -0.91 0.00 0.00 33.84 31.15 2ysq n VAL 37 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ysq n LEU 38 N 7.42 1.87 -3.65 7.52 4.77 -1.09 -4.34 117.00 129.50 2ysq n LEU 38 Ca 0.22 0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 56.56 2ysq n LEU 38 Cb 0.37 -0.95 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 2ysq n LEU 38 CO 0.70 0.29 0.26 -0.62 -1.33 0.00 0.00 177.39 176.69 2ysq s ASP 39 N -6.90 -0.91 -0.64 -1.43 -1.08 -1.26 -5.04 116.67 99.41 2ysq s ASP 39 Ca -0.30 1.43 -0.02 0.00 -0.52 0.00 0.00 52.55 53.14 2ysq s ASP 39 Cb 0.07 1.59 0.35 0.00 -1.46 0.00 0.00 42.92 43.47 2ysq s ASP 39 CO 0.57 -0.23 2.10 0.00 0.52 0.00 0.00 175.17 178.13 2ysq n ALA 40 N 4.73 6.22 -0.19 3.66 0.00 -1.26 -3.42 120.51 130.25 2ysq n ALA 40 Ca -0.17 -3.33 -0.05 0.00 0.00 0.00 0.00 53.44 49.89 2ysq n ALA 40 Cb 0.55 -1.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 2ysq n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ysq n SER 41 N -0.47 -0.48 -4.83 0.00 2.88 -1.26 -4.38 113.62 105.07 2ysq n SER 41 Ca 0.54 1.15 -0.32 0.00 -1.33 0.00 0.00 58.87 58.91 2ysq n SER 41 Cb 0.53 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.69 2ysq n SER 41 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2ysq s ASN 42 N -4.37 6.36 0.00 -3.46 3.84 -1.25 -4.96 114.94 111.10 2ysq s ASN 42 Ca -0.05 1.62 0.27 0.00 0.21 0.00 0.00 52.86 54.90 2ysq s ASN 42 Cb 0.05 -2.51 0.81 0.00 -0.55 0.00 0.00 41.25 39.05 2ysq s ASN 42 CO 0.28 -0.77 1.61 1.17 -2.79 0.00 0.00 177.10 176.60 2ysq n LYS 43 N -1.83 0.30 -0.03 0.43 4.81 -1.26 -4.35 118.16 116.24 2ysq n LYS 43 Ca 0.07 -0.15 -0.08 0.00 -0.87 0.00 0.00 58.31 57.29 2ysq n LYS 43 Cb 0.54 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.06 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2ysq n ASP 44 N -1.22 0.99 -4.66 3.14 8.00 -1.26 -4.99 116.55 116.55 2ysq n ASP 44 Ca 0.09 0.16 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 2ysq n ASP 44 Cb 0.33 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2ysq s TRP 45 N -2.24 3.37 0.09 1.24 0.23 -1.26 -4.32 118.94 116.04 2ysq s TRP 45 Ca -0.13 0.85 0.06 0.00 -2.03 0.00 0.00 56.10 54.86 2ysq s TRP 45 Cb 0.04 -2.74 -0.04 0.00 0.03 0.00 0.00 33.47 30.76 2ysq s TRP 45 CO 0.17 -0.15 -0.09 -1.58 0.96 0.00 0.00 176.95 176.26 2ysq s TRP 46 N 1.81 2.77 0.19 -1.98 0.52 -1.15 -3.91 118.94 117.19 2ysq s TRP 46 Ca 0.27 -0.14 0.08 0.00 0.02 0.00 0.00 56.10 56.33 2ysq s TRP 46 Cb -0.16 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2ysq s TRP 46 CO 0.10 0.42 -0.04 -0.46 0.02 0.00 0.00 176.95 176.99 2ysq s TRP 47 N -1.18 2.74 0.26 -1.98 -0.11 -1.22 -1.44 118.94 116.00 2ysq s TRP 47 Ca 0.21 -0.18 -0.17 0.00 1.22 0.00 0.00 56.10 57.18 2ysq s TRP 47 Cb -0.11 -1.31 0.01 0.00 -1.50 0.00 0.00 33.47 30.55 2ysq s TRP 47 CO 0.13 0.53 0.59 0.20 -4.62 0.00 0.00 176.95 173.78 2ysq s GLY 48 N -3.01 0.22 -0.21 5.86 0.00 -1.24 -2.66 107.32 106.28 2ysq s GLY 48 Ca 0.27 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.42 2ysq s GLY 48 CO 0.17 -0.36 -0.14 1.62 0.00 0.00 0.00 173.10 174.39 2ysq s GLN 49 N -3.97 2.45 0.16 2.90 0.74 0.30 -4.23 119.66 118.02 2ysq s GLN 49 Ca 0.17 -0.98 0.04 0.00 0.05 0.00 0.00 55.36 54.64 2ysq s GLN 49 Cb -0.03 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 2ysq s GLN 49 CO 0.08 -0.38 0.18 0.42 -0.55 0.00 0.00 175.29 175.03 2ysq s ILE 50 N 1.27 4.73 0.07 -2.34 1.01 -0.14 -2.99 121.20 122.82 2ysq s ILE 50 Ca -0.01 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2ysq s ILE 50 Cb -0.16 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2ysq s ILE 50 CO -0.09 -0.10 0.87 -0.67 0.00 0.00 0.00 174.94 174.95 2ysq n ASP 51 N -0.38 -0.46 -0.53 3.58 -0.08 -1.26 -2.47 116.55 114.95 2ysq n ASP 51 Ca -0.08 0.97 0.05 0.00 -1.51 0.00 0.00 54.79 54.22 2ysq n ASP 51 Cb 0.54 -0.20 0.08 0.00 2.34 0.00 0.00 41.12 43.89 2ysq n ASP 51 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ysq n ASP 52 N -4.12 1.23 -4.24 1.67 8.00 -1.26 -5.06 116.55 112.77 2ysq n ASP 52 Ca 0.01 -2.67 -0.19 0.00 0.71 0.00 0.00 54.79 52.64 2ysq n ASP 52 Cb 0.11 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 40.75 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ysq s GLU 53 N -1.49 1.00 -0.24 -1.24 2.02 -1.03 -5.15 118.70 112.57 2ysq s GLU 53 Ca 0.22 -1.17 -0.22 0.00 0.02 0.00 0.00 54.97 53.82 2ysq s GLU 53 Cb 0.22 -0.96 0.06 0.00 0.10 0.00 0.00 34.13 33.54 2ysq s GLU 53 CO -0.03 0.20 0.63 -1.21 0.02 0.00 0.00 175.26 174.87 2ysq s GLU 54 N -2.38 0.73 0.00 1.61 2.02 -1.26 -0.96 118.70 118.46 2ysq s GLU 54 Ca 0.06 0.88 0.00 0.00 0.02 0.00 0.00 54.97 55.93 2ysq s GLU 54 Cb -0.07 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2ysq s GLU 54 CO 0.03 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2ysq n GLY 55 N 2.78 -0.82 3.89 -1.39 0.00 -1.26 -4.74 105.19 103.64 2ysq n GLY 55 Ca -0.14 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 2ysq n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ysq s TRP 56 N -3.00 3.55 0.00 1.61 0.51 -1.03 -3.65 118.94 116.93 2ysq s TRP 56 Ca 0.00 0.48 -0.06 0.00 -2.12 0.00 0.00 56.10 54.40 2ysq s TRP 56 Cb 0.00 -1.93 -0.00 0.00 -0.81 0.00 0.00 33.47 30.73 2ysq s TRP 56 CO 0.00 0.59 0.11 -0.59 -0.51 0.00 0.00 176.95 176.56 2ysq s PHE 57 N -1.38 0.07 0.29 -1.98 -0.71 -0.52 0.14 117.98 113.89 2ysq s PHE 57 Ca 0.30 -0.18 -0.29 0.00 -1.04 0.00 0.00 56.93 55.72 2ysq s PHE 57 Cb -0.13 -0.07 -0.10 0.00 -1.21 0.00 0.00 43.02 41.52 2ysq s PHE 57 CO 0.19 -0.27 1.24 -1.25 -1.34 0.00 0.00 175.22 173.80 2ysq s PRO 58 N -1.36 4.45 0.03 1.99 0.04 -1.26 -2.92 135.00 135.97 2ysq s PRO 58 Ca -0.15 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.22 2ysq s PRO 58 Cb -0.08 -3.13 0.81 0.00 0.04 0.00 0.00 34.50 32.15 2ysq s PRO 58 CO 0.01 -0.07 1.64 0.00 0.04 0.00 0.00 177.00 178.62 2ysq n ALA 59 N 1.24 2.90 0.08 8.56 0.00 -1.26 -3.74 120.51 128.29 2ysq n ALA 59 Ca 0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.05 2ysq n ALA 59 Cb 0.43 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.44 2ysq n ALA 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ysq h SER 60 N 0.00 0.47 -0.45 0.00 0.87 -1.92 -3.33 113.55 109.19 2ysq h SER 60 Ca 0.00 -0.62 -0.30 0.00 -1.23 0.00 0.00 61.79 59.63 2ysq h SER 60 Cb 0.54 -0.15 -0.13 0.00 -0.44 0.00 0.00 62.40 62.22 2ysq h SER 60 CO 0.00 1.51 0.39 0.49 -0.53 0.00 0.00 176.83 178.70 2ysq n PHE 61 N -3.50 1.46 -3.63 2.24 3.01 -1.24 -4.84 117.46 110.96 2ysq n PHE 61 Ca -0.17 -1.87 -0.16 0.00 1.01 0.00 0.00 57.45 56.27 2ysq n PHE 61 Cb 1.05 -0.91 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 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 -2.14 0.02 -0.15 -4.37 -7.23 -1.25 -3.60 120.40 101.67 2ysq s VAL 62 Ca 0.29 -0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 60.26 2ysq s VAL 62 Cb 0.23 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 2ysq s VAL 62 CO -0.00 -0.09 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.51 2ysq s ARG 63 N -1.03 3.61 0.34 4.82 1.81 -0.81 -4.88 118.95 122.80 2ysq s ARG 63 Ca -0.10 -0.55 -0.27 0.00 -1.72 0.00 0.00 55.73 53.09 2ysq s ARG 63 Cb -0.02 -2.87 -0.09 0.00 -0.45 0.00 0.00 34.95 31.51 2ysq s ARG 63 CO 0.07 0.21 1.09 -0.51 -0.68 0.00 0.00 175.30 175.49 2ysq s LEU 64 N 0.42 4.34 -0.07 2.53 1.43 -1.26 -0.97 118.68 125.10 2ysq s LEU 64 Ca -0.05 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.29 2ysq s LEU 64 Cb -0.15 -3.89 0.21 0.00 0.03 0.00 0.00 46.19 42.39 2ysq s LEU 64 CO 0.03 -0.36 0.91 0.79 0.23 0.00 0.00 176.35 177.95 2ysq n TRP 65 N 0.54 0.60 -4.09 0.29 7.02 -0.81 -4.82 117.44 116.18 2ysq n TRP 65 Ca 0.02 -0.32 -0.14 0.00 -1.02 0.00 0.00 57.50 56.04 2ysq n TRP 65 Cb 0.47 -0.25 -0.12 0.00 -2.42 0.00 0.00 31.31 28.99 2ysq n TRP 65 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2ysq s VAL 66 N -1.35 0.66 -0.35 -0.99 1.01 -1.26 -4.99 120.40 113.13 2ysq s VAL 66 Ca 0.15 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ysq s VAL 66 Cb 0.11 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.89 2ysq s VAL 66 CO 0.04 -0.35 0.08 0.54 0.00 0.00 0.00 175.10 175.41 2ysq s ASN 67 N -1.61 4.88 0.63 3.32 2.20 -1.26 -5.10 114.94 118.00 2ysq s ASN 67 Ca -0.08 -2.07 -0.16 0.00 -0.94 0.00 0.00 52.86 49.61 2ysq s ASN 67 Cb -0.10 -1.68 -0.01 0.00 -2.00 0.00 0.00 41.25 37.46 2ysq s ASN 67 CO 0.01 -0.41 1.13 -1.58 -2.94 0.00 0.00 177.10 173.31 2ysq s GLN 68 N 0.98 2.88 0.46 3.55 0.74 -1.26 -5.05 119.66 121.96 2ysq s GLN 68 Ca 0.09 1.51 0.08 0.00 0.05 0.00 0.00 55.36 57.09 2ysq s GLN 68 Cb -0.20 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 31.98 2ysq s GLN 68 CO -0.07 -1.21 0.57 -2.00 -0.55 0.00 0.00 175.29 172.03 2ysq s GLU 69 N -3.83 2.61 -1.66 1.67 2.12 -1.26 -4.54 118.70 113.81 2ysq s GLU 69 Ca 0.70 -1.45 -0.15 0.00 0.36 0.00 0.00 54.97 54.42 2ysq s GLU 69 Cb -0.23 -2.60 0.15 0.00 0.26 0.00 0.00 34.13 31.71 2ysq s GLU 69 CO 0.38 -0.41 0.38 -0.40 -0.54 0.00 0.00 175.26 174.67 2ysq n ASP 70 N -1.86 -0.89 -4.57 -1.70 5.68 -1.26 -4.78 116.55 107.16 2ysq n ASP 70 Ca 0.08 -1.17 -0.41 0.00 -0.50 0.00 0.00 54.79 52.79 2ysq n ASP 70 Cb 0.61 -1.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.07 2ysq n ASP 70 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2ysq s GLU 71 N -6.89 3.17 -0.38 0.11 2.02 -1.26 -3.94 118.70 111.52 2ysq s GLU 71 Ca 0.54 0.46 -0.05 0.00 0.02 0.00 0.00 54.97 55.93 2ysq s GLU 71 Cb -0.31 -4.18 0.05 0.00 0.10 0.00 0.00 34.13 29.78 2ysq s GLU 71 CO 0.95 -2.10 0.12 1.55 0.02 0.00 0.00 175.26 175.79 2ysq n VAL 72 N 6.90 0.00 -1.90 2.63 3.14 -1.26 -4.80 118.33 123.04 2ysq n VAL 72 Ca 0.13 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.10 2ysq n VAL 72 Cb 0.50 -0.10 -0.01 0.00 -1.06 0.00 0.00 33.84 33.16 2ysq n VAL 72 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2ysq s GLU 73 N -5.03 4.19 -0.03 1.45 2.12 -1.25 -4.92 118.70 115.23 2ysq s GLU 73 Ca 0.17 2.45 -0.00 0.00 0.36 0.00 0.00 54.97 57.95 2ysq s GLU 73 Cb -0.10 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 2ysq s GLU 73 CO 0.21 -0.48 -0.03 -0.85 -0.54 0.00 0.00 175.26 173.57 2ysq n GLU 74 N 1.45 0.06 0.00 4.30 0.28 -1.26 -5.12 120.64 120.36 2ysq n GLU 74 Ca 0.04 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2ysq n GLU 74 Cb 0.39 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 32.35 2ysq n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ysq n GLY 75 N 3.20 1.10 3.16 -1.84 0.00 -1.26 -5.03 105.19 104.52 2ysq n GLY 75 Ca -0.05 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2ysq n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysq s SER 76 N -4.00 5.22 0.03 1.61 0.15 -1.26 -5.09 113.70 110.35 2ysq s SER 76 Ca 0.00 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 54.92 2ysq s SER 76 Cb 0.00 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 2ysq s SER 76 CO 0.00 -0.46 0.12 -0.83 1.20 0.00 0.00 173.24 173.27 2ysq s GLY 77 N 1.69 2.07 1.05 9.45 0.00 -1.26 -5.11 107.32 115.21 2ysq s GLY 77 Ca 0.04 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 43.70 2ysq s GLY 77 CO -0.02 -0.81 0.93 -1.55 0.00 0.00 0.00 173.10 171.65 2ysq n PRO 78 N 0.81 -2.84 -3.94 2.90 -0.04 -1.26 -5.08 135.00 125.55 2ysq n PRO 78 Ca -0.10 -1.49 -0.22 0.00 -0.04 0.00 0.00 63.50 61.65 2ysq n PRO 78 Cb 0.52 -1.39 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 2ysq n PRO 78 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ysq s SER 79 N -4.00 1.40 0.50 3.54 1.04 -1.26 -5.14 113.70 109.77 2ysq s SER 79 Ca 0.60 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.79 2ysq s SER 79 Cb -0.06 -0.49 -0.06 0.00 0.10 0.00 0.00 66.02 65.51 2ysq s SER 79 CO 0.46 -0.13 0.91 -0.55 0.98 0.00 0.00 173.24 174.91 2ysq s SER 80 N 1.53 6.47 0.00 7.02 0.15 -1.26 -5.38 113.70 122.22 2ysq s SER 80 Ca -0.01 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.98 2ysq s SER 80 Cb -0.13 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2ysq s SER 80 CO -0.03 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.42