#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 5.47 -0.01 1.61 1.04 -1.26 -5.13 113.70 115.41 2ysq s SER 2 Ca 0.00 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2ysq s SER 2 Cb 0.00 -0.81 -0.00 0.00 0.10 0.00 0.00 66.02 65.31 2ysq s SER 2 CO 0.00 -0.58 -0.06 -0.94 0.98 0.00 0.00 173.24 172.64 2ysq s SER 3 N -4.18 0.79 -0.05 7.02 1.04 -1.26 -5.15 113.70 111.92 2ysq s SER 3 Ca 0.48 -0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.83 2ysq s SER 3 Cb -0.07 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 2ysq s SER 3 CO 0.30 0.06 -0.14 -0.83 0.98 0.00 0.00 173.24 173.61 2ysq s GLY 4 N 0.02 1.53 -0.98 7.32 0.00 -1.26 -5.06 107.32 108.89 2ysq s GLY 4 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 43.51 2ysq s GLY 4 CO -0.00 -0.74 1.42 -0.56 0.00 0.00 0.00 173.10 173.22 2ysq s SER 5 N -0.68 6.46 -0.33 1.64 0.01 -1.26 -4.97 113.70 114.57 2ysq s SER 5 Ca 0.10 -1.34 -0.25 0.00 1.31 0.00 0.00 55.95 55.78 2ysq s SER 5 Cb -0.11 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2ysq s SER 5 CO 0.01 -1.54 0.87 -0.44 0.41 0.00 0.00 173.24 172.55 2ysq s SER 6 N 4.79 6.70 0.00 2.44 0.01 -1.26 -4.59 113.70 121.80 2ysq s SER 6 Ca 0.44 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2ysq s SER 6 Cb -0.01 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2ysq s SER 6 CO -0.07 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2ysq n GLY 7 N 4.22 -0.32 3.54 3.44 0.00 -1.26 -5.13 105.19 109.67 2ysq n GLY 7 Ca 0.06 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.66 -3.91 1.61 8.00 -1.26 -5.03 116.55 115.29 2ysq n ASP 8 Ca 0.00 0.50 -0.10 0.00 0.71 0.00 0.00 54.79 55.89 2ysq n ASP 8 Cb 0.00 -1.32 -0.11 0.00 -0.02 0.00 0.00 41.12 39.66 2ysq n ASP 8 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ysq s SER 9 N -1.92 0.10 -0.45 -2.24 0.01 -1.26 -5.09 113.70 102.85 2ysq s SER 9 Ca 0.65 -0.25 -0.16 0.00 1.31 0.00 0.00 55.95 57.51 2ysq s SER 9 Cb -0.28 0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.14 2ysq s SER 9 CO 0.59 -0.25 0.37 -0.63 0.41 0.00 0.00 173.24 173.72 2ysq s ILE 10 N -1.06 5.22 0.38 1.44 -1.09 -1.26 -4.99 121.20 119.84 2ysq s ILE 10 Ca -0.12 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.54 2ysq s ILE 10 Cb -0.07 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 2ysq s ILE 10 CO 0.00 -0.48 0.38 0.54 -1.23 0.00 0.00 174.94 174.15 2ysq s VAL 11 N 1.73 3.12 -0.06 2.92 0.11 -1.26 -5.02 120.40 121.94 2ysq s VAL 11 Ca 0.05 -1.29 0.03 0.00 -2.93 0.00 0.00 61.98 57.84 2ysq s VAL 11 Cb -0.22 -3.10 0.01 0.00 -1.53 0.00 0.00 36.38 31.55 2ysq s VAL 11 CO 0.09 -0.07 -0.13 -0.94 -3.33 0.00 0.00 175.10 170.71 2ysq s SER 12 N -4.11 1.82 0.00 3.54 1.04 -1.26 -2.23 113.70 112.50 2ysq s SER 12 Ca 0.46 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.62 2ysq s SER 12 Cb -0.05 -0.76 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 2ysq s SER 12 CO 0.28 0.06 -0.07 0.00 0.98 0.00 0.00 173.24 174.49 2ysq s ALA 13 N 0.51 3.00 -0.29 5.32 0.00 -0.19 -2.70 121.76 127.42 2ysq s ALA 13 Ca -0.12 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 2ysq s ALA 13 Cb -0.15 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2ysq s ALA 13 CO 0.03 0.61 0.06 -2.00 0.00 0.00 0.00 175.76 174.47 2ysq s GLU 14 N -1.40 3.12 -0.49 0.00 2.12 -1.13 -0.53 118.70 120.39 2ysq s GLU 14 Ca 0.17 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 2ysq s GLU 14 Cb -0.11 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 2ysq s GLU 14 CO 0.07 -0.41 2.39 0.00 -0.54 0.00 0.00 175.26 176.77 2ysq n ALA 15 N 4.85 0.94 0.05 6.30 0.00 0.20 -3.06 120.51 129.80 2ysq n ALA 15 Ca -0.15 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 2ysq n ALA 15 Cb 0.48 -2.91 -0.13 0.00 0.00 0.00 0.00 19.45 16.89 2ysq n ALA 15 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2ysq h VAL 16 N 7.55 1.35 -3.26 0.00 -1.51 -1.88 0.18 116.25 118.67 2ysq h VAL 16 Ca -0.25 -3.04 -0.53 0.00 -1.23 0.00 0.00 66.70 61.65 2ysq h VAL 16 Cb 1.28 2.76 -0.35 0.00 -2.13 0.00 0.00 31.29 32.85 2ysq h VAL 16 CO 1.13 0.83 -0.81 0.26 -1.23 0.00 0.00 177.57 177.75 2ysq s TRP 17 N -2.65 1.56 0.21 5.19 0.52 -1.24 -4.77 118.94 117.74 2ysq s TRP 17 Ca -0.04 -0.72 -0.31 0.00 0.02 0.00 0.00 56.10 55.05 2ysq s TRP 17 Cb 0.08 -1.22 -0.15 0.00 -1.15 0.00 0.00 33.47 31.03 2ysq s TRP 17 CO 0.84 -0.44 1.11 -0.25 0.02 0.00 0.00 176.95 178.23 2ysq n ASP 18 N 4.49 1.27 -3.78 2.95 9.92 -1.26 -4.63 116.55 125.51 2ysq n ASP 18 Ca -0.17 1.15 -0.28 0.00 -0.53 0.00 0.00 54.79 54.96 2ysq n ASP 18 Cb 0.51 -1.23 -0.11 0.00 -0.64 0.00 0.00 41.12 39.64 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 1.12 2.43 -1.90 1.24 -0.00 -1.15 -4.90 115.22 112.06 2ysq n HIS 19 Ca 0.14 -4.11 -0.32 0.00 0.46 0.00 0.00 57.72 53.89 2ysq n HIS 19 Cb 0.27 -0.45 0.02 0.00 -0.12 0.00 0.00 29.99 29.71 2ysq n HIS 19 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2ysq s VAL 20 N -1.21 4.07 -0.25 3.57 -7.23 -1.26 -3.70 120.40 114.39 2ysq s VAL 20 Ca 0.27 0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 61.00 2ysq s VAL 20 Cb -0.02 -3.48 0.16 0.00 0.56 0.00 0.00 36.38 33.61 2ysq s VAL 20 CO -0.17 -0.72 1.22 0.28 -0.31 0.00 0.00 175.10 175.40 2ysq s THR 21 N -2.76 0.00 -0.61 5.32 -1.32 -1.26 -5.04 115.64 109.97 2ysq s THR 21 Ca 0.60 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.05 2ysq s THR 21 Cb -0.14 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.04 2ysq s THR 21 CO 0.44 0.00 2.43 0.23 -2.21 0.00 0.00 174.62 175.51 2ysq n MET 22 N 1.04 2.52 -3.62 7.08 2.81 -1.26 -4.83 117.12 120.85 2ysq n MET 22 Ca -0.07 -2.79 -0.24 0.00 -1.81 0.00 0.00 57.70 52.78 2ysq n MET 22 Cb 0.58 -2.17 -0.17 0.00 -0.71 0.00 0.00 33.22 30.74 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysq s ALA 23 N -2.70 0.37 0.15 3.04 0.00 -1.26 -5.03 121.76 116.33 2ysq s ALA 23 Ca 0.55 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 2ysq s ALA 23 Cb 0.40 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.65 2ysq s ALA 23 CO -0.28 -1.00 1.72 -0.91 0.00 0.00 0.00 175.76 175.29 2ysq h ASN 24 N 8.42 -0.06 -0.59 0.00 4.21 -2.01 -2.22 115.58 123.34 2ysq h ASN 24 Ca -0.14 0.06 0.11 0.00 1.21 0.00 0.00 56.30 57.54 2ysq h ASN 24 Cb 1.14 0.10 -0.08 0.00 -1.12 0.00 0.00 38.32 38.36 2ysq h ASN 24 CO 0.26 0.01 0.12 0.03 -1.29 0.00 0.00 177.43 176.55 2ysq h ARG 25 N 0.14 0.25 -6.78 0.81 3.08 -1.96 -3.41 114.38 106.50 2ysq h ARG 25 Ca 0.16 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.67 2ysq h ARG 25 Cb 0.20 -0.06 0.06 0.00 0.08 0.00 0.00 29.97 30.26 2ysq h ARG 25 CO -0.24 0.16 0.76 -2.00 -1.07 0.00 0.00 179.97 177.58 2ysq s GLU 26 N -6.11 4.25 -0.53 0.04 2.56 -0.84 -3.65 118.70 114.43 2ysq s GLU 26 Ca -0.13 2.34 -0.28 0.00 0.00 0.00 0.00 54.97 56.90 2ysq s GLU 26 Cb 0.17 -3.08 0.01 0.00 2.00 0.00 0.00 34.13 33.23 2ysq s GLU 26 CO 0.74 -0.42 1.40 -1.17 -0.56 0.00 0.00 175.26 175.24 2ysq s LEU 27 N -0.71 3.45 0.28 2.70 0.20 0.82 -4.75 118.68 120.67 2ysq s LEU 27 Ca 0.58 0.39 0.02 0.00 0.69 0.00 0.00 54.13 55.81 2ysq s LEU 27 Cb -0.43 -3.17 -0.03 0.00 -0.43 0.00 0.00 46.19 42.13 2ysq s LEU 27 CO 0.47 -1.63 0.45 0.00 -0.29 0.00 0.00 176.35 175.34 2ysq s ALA 28 N 5.84 3.81 0.06 5.97 0.00 -1.26 -4.58 121.76 131.60 2ysq s ALA 28 Ca 0.54 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 2ysq s ALA 28 Cb -0.11 -1.95 0.07 0.00 0.00 0.00 0.00 23.12 21.13 2ysq s ALA 28 CO 0.27 0.16 1.03 1.97 0.00 0.00 0.00 175.76 179.19 2ysq n PHE 29 N -1.42 -0.75 -4.29 0.00 -1.74 -1.24 -4.98 117.46 103.03 2ysq n PHE 29 Ca -0.06 -0.84 -0.18 0.00 -0.56 0.00 0.00 57.45 55.81 2ysq n PHE 29 Cb 0.56 0.40 -0.14 0.00 1.52 0.00 0.00 39.48 41.82 2ysq n PHE 29 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2ysq s LYS 30 N -2.03 0.76 -0.12 3.97 1.02 -1.26 -2.92 119.74 119.17 2ysq s LYS 30 Ca 0.24 -0.57 -0.33 0.00 0.02 0.00 0.00 55.97 55.33 2ysq s LYS 30 Cb -0.01 -0.71 -0.15 0.00 -0.52 0.00 0.00 37.83 36.43 2ysq s LYS 30 CO 0.02 0.18 0.95 0.00 -0.92 0.00 0.00 175.35 175.58 2ysq n ALA 31 N 2.22 -2.37 0.00 5.17 0.00 -1.26 -1.45 120.51 122.82 2ysq n ALA 31 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2ysq n ALA 31 Cb 0.56 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.74 2.57 3.76 0.00 0.00 0.61 -4.96 105.19 108.92 2ysq n GLY 32 Ca 0.18 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2ysq n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysq s ASP 33 N -0.11 5.75 -0.08 1.61 1.01 -0.53 -4.68 116.67 119.65 2ysq s ASP 33 Ca 0.00 2.66 -0.00 0.00 0.71 0.00 0.00 52.55 55.92 2ysq s ASP 33 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2ysq s ASP 33 CO 0.00 -1.23 -0.06 -0.69 0.21 0.00 0.00 175.17 173.40 2ysq s VAL 34 N -1.34 3.76 -0.05 -1.27 1.01 -1.26 -0.63 120.40 120.62 2ysq s VAL 34 Ca 0.66 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.24 2ysq s VAL 34 Cb -0.38 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2ysq s VAL 34 CO 0.46 0.58 -0.21 -0.63 0.00 0.00 0.00 175.10 175.30 2ysq s ILE 35 N -0.62 2.41 -0.52 2.22 1.09 0.32 -4.80 121.20 121.28 2ysq s ILE 35 Ca 0.09 -0.95 -0.16 0.00 -1.10 0.00 0.00 60.65 58.53 2ysq s ILE 35 Cb -0.12 -1.90 0.10 0.00 -1.06 0.00 0.00 42.46 39.49 2ysq s ILE 35 CO 0.02 0.57 0.48 -0.75 -0.10 0.00 0.00 174.94 175.17 2ysq s LYS 36 N -0.39 3.00 0.19 2.79 2.20 -0.83 -1.02 119.74 125.69 2ysq s LYS 36 Ca 0.04 -1.52 -0.32 0.00 -0.36 0.00 0.00 55.97 53.81 2ysq s LYS 36 Cb -0.12 -4.23 -0.12 0.00 -1.51 0.00 0.00 37.83 31.85 2ysq s LYS 36 CO 0.02 -1.23 1.72 0.08 -0.36 0.00 0.00 175.35 175.58 2ysq s VAL 37 N 1.73 2.13 -0.27 4.02 1.01 -0.95 -2.39 120.40 125.69 2ysq s VAL 37 Ca 0.04 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 2ysq s VAL 37 Cb -0.27 -3.04 -0.14 0.00 0.00 0.00 0.00 36.38 32.94 2ysq s VAL 37 CO 0.05 0.00 -0.26 0.18 0.00 0.00 0.00 175.10 175.07 2ysq n LEU 38 N 4.19 2.05 -3.84 3.92 4.77 -1.17 -4.21 117.00 122.71 2ysq n LEU 38 Ca 0.16 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2ysq n LEU 38 Cb 0.36 -0.85 -0.13 0.00 -2.33 0.00 0.00 43.42 40.46 2ysq n LEU 38 CO 0.64 0.58 -0.28 -0.62 -1.33 0.00 0.00 177.39 176.38 2ysq s ASP 39 N -7.32 -0.08 -0.56 -1.43 -1.08 -1.26 -4.95 116.67 99.98 2ysq s ASP 39 Ca -0.37 0.16 0.05 0.00 -0.52 0.00 0.00 52.55 51.86 2ysq s ASP 39 Cb 0.13 0.15 0.17 0.00 -1.46 0.00 0.00 42.92 41.92 2ysq s ASP 39 CO 0.52 -0.03 0.43 0.00 0.52 0.00 0.00 175.17 176.61 2ysq n ALA 40 N 3.09 3.16 -0.07 3.66 0.00 -1.26 -3.15 120.51 125.94 2ysq n ALA 40 Ca -0.13 -3.86 -0.08 0.00 0.00 0.00 0.00 53.44 49.37 2ysq n ALA 40 Cb 0.59 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 5.42 0.00 -1.98 0.00 0.87 -2.00 -3.48 113.55 112.39 2ysq h SER 41 Ca 0.20 -0.20 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 2ysq h SER 41 Cb 0.82 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.90 2ysq h SER 41 CO 0.56 0.87 -0.09 0.59 -0.53 0.00 0.00 176.83 178.22 2ysq n ASN 42 N -4.62 -3.09 -0.05 6.23 4.13 -1.25 -4.99 115.26 111.62 2ysq n ASN 42 Ca -0.11 -0.46 -0.01 0.00 1.68 0.00 0.00 54.58 55.68 2ysq n ASN 42 Cb 0.31 -0.55 -0.00 0.00 -1.54 0.00 0.00 39.78 37.99 2ysq n ASN 42 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2ysq h LYS 43 N 0.00 0.00 -0.67 3.52 1.57 -2.04 -3.41 116.57 115.54 2ysq h LYS 43 Ca -0.21 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.09 2ysq h LYS 43 Cb 0.70 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.59 2ysq h LYS 43 CO 0.13 0.00 -0.88 -0.25 -0.57 0.00 0.00 179.45 177.88 2ysq n ASP 44 N -4.58 4.21 -3.49 0.86 8.00 -1.26 -4.97 116.55 115.33 2ysq n ASP 44 Ca -0.01 -3.41 -0.21 0.00 0.71 0.00 0.00 54.79 51.87 2ysq n ASP 44 Cb 0.05 -0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 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 -3.62 -0.17 0.11 1.24 0.23 -1.26 -4.03 118.94 111.43 2ysq s TRP 45 Ca 0.46 -0.10 0.05 0.00 -2.03 0.00 0.00 56.10 54.47 2ysq s TRP 45 Cb 0.39 -0.51 -0.04 0.00 0.03 0.00 0.00 33.47 33.35 2ysq s TRP 45 CO 0.02 -0.70 -0.12 -1.58 0.96 0.00 0.00 176.95 175.54 2ysq s TRP 46 N 2.28 1.20 0.25 -1.98 0.51 -1.26 -3.88 118.94 116.05 2ysq s TRP 46 Ca 0.07 -0.62 -0.29 0.00 -2.12 0.00 0.00 56.10 53.14 2ysq s TRP 46 Cb -0.15 -0.64 -0.09 0.00 -0.81 0.00 0.00 33.47 31.77 2ysq s TRP 46 CO -0.20 0.06 0.93 -0.46 -0.51 0.00 0.00 176.95 176.77 2ysq s TRP 47 N -2.39 3.95 0.02 -1.98 -0.11 -1.19 -2.82 118.94 114.41 2ysq s TRP 47 Ca 0.08 1.89 0.04 0.00 1.22 0.00 0.00 56.10 59.32 2ysq s TRP 47 Cb -0.03 -2.96 -0.03 0.00 -1.50 0.00 0.00 33.47 28.94 2ysq s TRP 47 CO 0.01 0.43 -0.09 0.20 -4.62 0.00 0.00 176.95 172.89 2ysq s GLY 48 N -1.23 1.72 -0.19 5.86 0.00 0.92 -3.03 107.32 111.38 2ysq s GLY 48 Ca 0.42 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2ysq s GLY 48 CO 0.31 -0.94 -0.08 1.62 0.00 0.00 0.00 173.10 174.01 2ysq s GLN 49 N -1.46 1.75 0.19 2.90 0.74 -1.01 -2.74 119.66 120.03 2ysq s GLN 49 Ca 0.17 -0.70 0.09 0.00 0.05 0.00 0.00 55.36 54.97 2ysq s GLN 49 Cb -0.11 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 2ysq s GLN 49 CO 0.07 -0.44 -0.11 0.42 -0.55 0.00 0.00 175.29 174.69 2ysq s ILE 50 N 1.50 3.09 0.16 -2.34 1.01 0.77 -1.95 121.20 123.44 2ysq s ILE 50 Ca -0.01 -1.73 -0.09 0.00 0.00 0.00 0.00 60.65 58.83 2ysq s ILE 50 Cb -0.16 -2.53 0.21 0.00 0.01 0.00 0.00 42.46 39.98 2ysq s ILE 50 CO -0.08 -0.13 0.98 0.47 0.00 0.00 0.00 174.94 176.18 2ysq n ASP 51 N 0.00 -0.34 0.00 3.58 9.92 -1.26 -3.22 116.55 125.23 2ysq n ASP 51 Ca -0.11 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 2ysq n ASP 51 Cb 0.56 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 2ysq n ASP 51 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2ysq n ASP 52 N -4.97 4.09 -4.77 -2.24 -0.08 -1.26 -5.05 116.55 102.27 2ysq n ASP 52 Ca 0.08 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.98 2ysq n ASP 52 Cb 0.28 0.08 -0.03 0.00 2.34 0.00 0.00 41.12 43.79 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2ysq s GLU 53 N -1.98 4.11 -0.07 -0.67 2.02 -1.20 -5.05 118.70 115.86 2ysq s GLU 53 Ca 0.00 1.69 -0.16 0.00 0.02 0.00 0.00 54.97 56.51 2ysq s GLU 53 Cb 0.00 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.64 2ysq s GLU 53 CO 0.00 -0.23 0.38 -1.21 0.02 0.00 0.00 175.26 174.22 2ysq s GLU 54 N -2.36 0.64 0.00 1.61 0.41 -1.26 -0.16 118.70 117.57 2ysq s GLU 54 Ca 0.57 0.12 0.00 0.00 -0.41 0.00 0.00 54.97 55.25 2ysq s GLU 54 Cb -0.27 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.38 2ysq s GLU 54 CO 0.33 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 2ysq n GLY 55 N 1.80 0.32 3.69 -1.39 0.00 -1.11 -4.59 105.19 103.91 2ysq n GLY 55 Ca -0.18 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.26 3.37 0.03 1.61 0.52 -1.24 -0.06 118.94 119.91 2ysq s TRP 56 Ca 0.00 0.36 0.08 0.00 0.02 0.00 0.00 56.10 56.56 2ysq s TRP 56 Cb 0.00 -2.29 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2ysq s TRP 56 CO 0.00 0.14 -0.23 -0.59 0.02 0.00 0.00 176.95 176.29 2ysq s PHE 57 N 0.83 2.42 0.20 -1.98 -0.71 -1.13 -0.13 117.98 117.49 2ysq s PHE 57 Ca 0.11 -0.35 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 2ysq s PHE 57 Cb -0.13 -1.45 -0.09 0.00 -1.21 0.00 0.00 43.02 40.15 2ysq s PHE 57 CO 0.03 0.14 1.30 -1.25 -1.34 0.00 0.00 175.22 174.11 2ysq s PRO 58 N -1.17 4.39 0.02 1.99 0.04 -1.26 -4.02 135.00 134.99 2ysq s PRO 58 Ca 0.12 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2ysq s PRO 58 Cb -0.10 -3.19 -0.23 0.00 0.04 0.00 0.00 34.50 31.01 2ysq s PRO 58 CO 0.02 -0.24 0.91 0.00 0.04 0.00 0.00 177.00 177.74 2ysq h ALA 59 N 5.32 0.50 0.00 8.56 0.00 -1.92 -3.27 119.26 128.45 2ysq h ALA 59 Ca -0.45 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.27 2ysq h ALA 59 Cb 1.21 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2ysq h ALA 59 CO 0.77 1.36 0.00 0.45 0.00 0.00 0.00 179.25 181.83 2ysq n SER 60 N -3.26 0.00 -0.14 0.00 2.88 -1.26 -2.35 113.62 109.50 2ysq n SER 60 Ca -0.11 -1.04 0.02 0.00 -1.33 0.00 0.00 58.87 56.40 2ysq n SER 60 Cb 1.01 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.49 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 -0.85 0.00 -4.36 0.66 3.01 -1.23 -5.03 117.46 109.66 2ysq n PHE 61 Ca 0.14 -0.01 -0.20 0.00 1.01 0.00 0.00 57.45 58.39 2ysq n PHE 61 Cb 0.06 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.43 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 -0.29 1.86 -0.33 -4.37 -7.23 -0.99 -3.73 120.40 105.32 2ysq s VAL 62 Ca 0.04 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 2ysq s VAL 62 Cb 0.03 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 35.00 2ysq s VAL 62 CO 0.04 -0.46 0.11 -0.13 -0.31 0.00 0.00 175.10 174.36 2ysq s ARG 63 N -3.28 2.81 0.51 4.82 1.81 -1.17 -4.94 118.95 119.52 2ysq s ARG 63 Ca 0.21 -1.05 -0.23 0.00 -1.72 0.00 0.00 55.73 52.93 2ysq s ARG 63 Cb -0.03 -3.46 -0.06 0.00 -0.45 0.00 0.00 34.95 30.94 2ysq s ARG 63 CO 0.08 -0.59 1.36 -0.51 -0.68 0.00 0.00 175.30 174.96 2ysq s LEU 64 N 1.46 3.93 -0.20 2.53 1.43 -1.26 -2.85 118.68 123.72 2ysq s LEU 64 Ca 0.00 2.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2ysq s LEU 64 Cb -0.19 -4.18 0.26 0.00 0.03 0.00 0.00 46.19 42.12 2ysq s LEU 64 CO 0.03 -1.42 1.47 0.79 0.23 0.00 0.00 176.35 177.45 2ysq n TRP 65 N -0.76 1.28 -5.22 0.29 7.02 -1.10 -4.85 117.44 114.10 2ysq n TRP 65 Ca 0.09 -1.17 -0.30 0.00 -1.02 0.00 0.00 57.50 55.10 2ysq n TRP 65 Cb 0.44 -0.59 -0.16 0.00 -2.42 0.00 0.00 31.31 28.58 2ysq n TRP 65 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2ysq s VAL 66 N -1.45 1.93 -0.49 -0.99 0.11 -1.26 -4.98 120.40 113.28 2ysq s VAL 66 Ca 0.24 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2ysq s VAL 66 Cb 0.20 -1.61 0.29 0.00 -1.53 0.00 0.00 36.38 33.73 2ysq s VAL 66 CO 0.04 0.55 2.11 0.59 -3.33 0.00 0.00 175.10 175.05 2ysq n ASN 67 N 2.54 6.98 -4.66 3.54 4.13 -1.26 -4.96 115.26 121.57 2ysq n ASN 67 Ca -0.16 -3.38 -0.43 0.00 1.68 0.00 0.00 54.58 52.29 2ysq n ASN 67 Cb 0.52 -1.05 -0.02 0.00 -1.54 0.00 0.00 39.78 37.68 2ysq n ASN 67 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2ysq s GLN 68 N -2.65 4.20 -0.10 3.52 -0.44 -1.26 -4.94 119.66 117.99 2ysq s GLN 68 Ca 0.47 1.98 -0.29 0.00 -2.50 0.00 0.00 55.36 55.02 2ysq s GLN 68 Cb 0.36 -3.89 -0.06 0.00 -1.64 0.00 0.00 33.01 27.78 2ysq s GLN 68 CO -0.05 -0.79 1.90 -2.00 0.50 0.00 0.00 175.29 174.84 2ysq s GLU 69 N 3.81 3.82 0.46 1.67 2.56 -1.26 -4.97 118.70 124.78 2ysq s GLU 69 Ca 0.66 2.18 0.03 0.00 0.00 0.00 0.00 54.97 57.84 2ysq s GLU 69 Cb -0.29 -4.16 -0.04 0.00 2.00 0.00 0.00 34.13 31.65 2ysq s GLU 69 CO 0.24 -1.30 0.01 0.34 -0.56 0.00 0.00 175.26 173.99 2ysq s ASP 70 N 5.16 3.92 0.32 -1.70 2.15 -1.26 -5.15 116.67 120.10 2ysq s ASP 70 Ca 0.85 -1.54 -0.04 0.00 0.43 0.00 0.00 52.55 52.25 2ysq s ASP 70 Cb -0.35 0.17 -0.05 0.00 -0.30 0.00 0.00 42.92 42.40 2ysq s ASP 70 CO 0.35 -0.70 0.57 -0.70 -0.17 0.00 0.00 175.17 174.52 2ysq s GLU 71 N -3.81 3.58 -0.03 4.34 2.56 -1.26 -5.10 118.70 118.98 2ysq s GLU 71 Ca 0.18 -0.06 0.06 0.00 0.00 0.00 0.00 54.97 55.15 2ysq s GLU 71 Cb 0.05 -2.63 -0.01 0.00 2.00 0.00 0.00 34.13 33.54 2ysq s GLU 71 CO 0.09 0.16 -0.21 0.08 -0.56 0.00 0.00 175.26 174.82 2ysq s VAL 72 N -2.21 1.67 -0.20 3.70 1.01 -1.26 -5.12 120.40 118.00 2ysq s VAL 72 Ca 0.43 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2ysq s VAL 72 Cb -0.10 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.94 2ysq s VAL 72 CO 0.33 0.47 0.03 -0.70 0.00 0.00 0.00 175.10 175.23 2ysq s GLU 73 N -0.33 0.71 0.84 2.72 2.56 -1.26 -5.14 118.70 118.80 2ysq s GLU 73 Ca 0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 54.97 54.45 2ysq s GLU 73 Cb -0.10 -2.14 0.15 0.00 2.00 0.00 0.00 34.13 34.04 2ysq s GLU 73 CO 0.00 -0.64 1.17 -1.83 -0.56 0.00 0.00 175.26 173.41 2ysq s GLU 74 N 1.83 1.26 0.15 4.30 -1.05 -1.26 -5.11 118.70 118.82 2ysq s GLU 74 Ca -0.01 -0.55 -0.08 0.00 -0.15 0.00 0.00 54.97 54.18 2ysq s GLU 74 Cb -0.17 -2.04 0.03 0.00 -0.44 0.00 0.00 34.13 31.51 2ysq s GLU 74 CO -0.08 -1.91 0.40 0.41 0.95 0.00 0.00 175.26 175.04 2ysq n GLY 75 N -3.34 1.33 3.80 -3.83 0.00 -1.26 -5.19 105.19 96.69 2ysq n GLY 75 Ca 0.14 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.01 0.03 -0.11 1.61 0.01 -1.26 -5.19 113.70 106.78 2ysq s SER 76 Ca 0.08 -1.19 -0.26 0.00 1.31 0.00 0.00 55.95 55.90 2ysq s SER 76 Cb -0.02 0.86 0.06 0.00 0.21 0.00 0.00 66.02 67.13 2ysq s SER 76 CO 0.04 -1.71 0.61 -0.83 0.41 0.00 0.00 173.24 171.76 2ysq s GLY 77 N -3.09 -0.48 0.43 3.44 0.00 -1.26 -5.18 107.32 101.19 2ysq s GLY 77 Ca 0.16 1.33 -0.07 0.00 0.00 0.00 0.00 44.72 46.13 2ysq s GLY 77 CO 0.12 1.03 0.38 -1.55 0.00 0.00 0.00 173.10 173.07 2ysq n PRO 78 N 1.57 -1.75 -4.45 2.90 -0.04 -1.26 -5.10 135.00 126.87 2ysq n PRO 78 Ca -0.18 -0.61 -0.24 0.00 -0.04 0.00 0.00 63.50 62.44 2ysq n PRO 78 Cb 0.56 -0.57 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 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 -2.53 2.43 0.32 3.54 1.04 -1.26 -5.18 113.70 112.06 2ysq s SER 79 Ca 0.25 -1.69 0.05 0.00 0.48 0.00 0.00 55.95 55.04 2ysq s SER 79 Cb -0.02 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2ysq s SER 79 CO 0.19 -0.96 0.22 -0.94 0.98 0.00 0.00 173.24 172.72 2ysq s SER 80 N -3.53 1.64 0.00 7.02 1.04 -1.26 -5.38 113.70 113.23 2ysq s SER 80 Ca 0.28 -1.67 0.19 0.00 0.48 0.00 0.00 55.95 55.23 2ysq s SER 80 Cb 0.03 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.80 2ysq s SER 80 CO 0.18 -0.99 1.09 0.61 0.98 0.00 0.00 173.24 175.11