#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 6.53 -1.48 1.61 0.01 -1.26 -4.16 113.70 114.96 2ysq s SER 2 Ca 0.00 -1.58 -0.09 0.00 1.31 0.00 0.00 55.95 55.59 2ysq s SER 2 Cb 0.00 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.74 2ysq s SER 2 CO 0.00 -1.43 0.85 -1.20 0.41 0.00 0.00 173.24 171.86 2ysq n SER 3 N 8.56 -3.36 -4.42 2.44 7.64 -1.26 -4.94 113.62 118.28 2ysq n SER 3 Ca 0.33 -0.83 -0.40 0.00 1.01 0.00 0.00 58.87 58.98 2ysq n SER 3 Cb 0.50 -3.78 -0.11 0.00 -1.01 0.00 0.00 64.21 59.82 2ysq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysq s GLY 4 N -3.68 1.91 -0.30 0.23 0.00 -1.26 -5.01 107.32 99.22 2ysq s GLY 4 Ca 0.44 -1.54 -0.14 0.00 0.00 0.00 0.00 44.72 43.48 2ysq s GLY 4 CO 0.84 0.78 1.08 -0.45 0.00 0.00 0.00 173.10 175.35 2ysq s SER 5 N 1.60 -0.39 0.73 1.64 0.15 -1.26 -5.03 113.70 111.15 2ysq s SER 5 Ca 0.04 0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 2ysq s SER 5 Cb -0.18 1.33 0.09 0.00 -1.71 0.00 0.00 66.02 65.55 2ysq s SER 5 CO 0.07 -0.07 1.04 -0.44 1.20 0.00 0.00 173.24 175.03 2ysq s SER 6 N 2.93 4.56 0.00 5.45 0.01 -1.26 -4.95 113.70 120.45 2ysq s SER 6 Ca -0.03 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2ysq s SER 6 Cb -0.10 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.30 2ysq s SER 6 CO -0.10 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 172.40 2ysq n GLY 7 N -2.98 -0.43 3.67 3.44 0.00 -1.26 -5.15 105.19 102.49 2ysq n GLY 7 Ca 0.10 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 0.89 -4.82 1.61 9.92 -1.26 -4.98 116.55 117.91 2ysq n ASP 8 Ca 0.00 0.61 -0.32 0.00 -0.53 0.00 0.00 54.79 54.55 2ysq n ASP 8 Cb 0.00 -1.48 0.03 0.00 -0.64 0.00 0.00 41.12 39.02 2ysq n ASP 8 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2ysq s SER 9 N -1.98 5.68 -0.17 -2.24 0.01 -1.26 -5.05 113.70 108.69 2ysq s SER 9 Ca 0.73 1.68 -0.07 0.00 1.31 0.00 0.00 55.95 59.60 2ysq s SER 9 Cb -0.30 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.38 2ysq s SER 9 CO 0.51 -1.24 0.07 -0.63 0.41 0.00 0.00 173.24 172.35 2ysq s ILE 10 N -2.80 4.83 -0.21 1.44 1.09 -1.26 -5.07 121.20 119.22 2ysq s ILE 10 Ca 0.60 -0.02 -0.06 0.00 -1.10 0.00 0.00 60.65 60.07 2ysq s ILE 10 Cb -0.14 -3.16 -0.03 0.00 -1.06 0.00 0.00 42.46 38.07 2ysq s ILE 10 CO 0.46 0.48 0.02 -0.69 -0.10 0.00 0.00 174.94 175.11 2ysq s VAL 11 N 0.19 4.12 -0.05 2.92 1.01 -1.26 -5.04 120.40 122.29 2ysq s VAL 11 Ca 0.05 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2ysq s VAL 11 Cb -0.12 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2ysq s VAL 11 CO 0.00 0.42 -0.08 -0.44 0.00 0.00 0.00 175.10 175.00 2ysq s SER 12 N 1.03 4.55 0.29 3.32 0.01 -1.26 -1.11 113.70 120.52 2ysq s SER 12 Ca 0.02 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.23 2ysq s SER 12 Cb -0.14 -1.10 -0.06 0.00 0.21 0.00 0.00 66.02 64.93 2ysq s SER 12 CO 0.02 0.34 0.07 0.00 0.41 0.00 0.00 173.24 174.08 2ysq s ALA 13 N -0.84 2.04 -0.04 1.44 0.00 -0.98 -3.53 121.76 119.84 2ysq s ALA 13 Ca 0.13 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.15 2ysq s ALA 13 Cb -0.11 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2ysq s ALA 13 CO 0.03 -0.37 -0.08 -2.00 0.00 0.00 0.00 175.76 173.34 2ysq s GLU 14 N -3.95 1.09 -0.29 0.00 2.12 -0.57 -2.65 118.70 114.44 2ysq s GLU 14 Ca 0.37 -0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 2ysq s GLU 14 Cb 0.08 -0.99 -0.06 0.00 0.26 0.00 0.00 34.13 33.42 2ysq s GLU 14 CO 0.14 0.01 2.27 0.00 -0.54 0.00 0.00 175.26 177.14 2ysq n ALA 15 N 3.75 1.51 -0.20 6.30 0.00 -1.06 -0.49 120.51 130.32 2ysq n ALA 15 Ca -0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 2ysq n ALA 15 Cb 0.52 -2.94 0.05 0.00 0.00 0.00 0.00 19.45 17.08 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 7.28 1.26 -4.46 0.00 2.07 -1.78 -0.43 116.25 120.19 2ysq h VAL 16 Ca -0.36 -1.13 -0.20 0.00 0.82 0.00 0.00 66.70 65.84 2ysq h VAL 16 Cb 1.26 0.79 -0.15 0.00 -1.52 0.00 0.00 31.29 31.66 2ysq h VAL 16 CO 1.01 0.41 -0.64 0.26 0.02 0.00 0.00 177.57 178.63 2ysq s TRP 17 N -5.04 0.92 -0.10 1.57 0.52 -1.26 -4.76 118.94 110.81 2ysq s TRP 17 Ca -0.11 -1.26 -0.30 0.00 0.02 0.00 0.00 56.10 54.45 2ysq s TRP 17 Cb 0.14 -0.49 -0.04 0.00 -1.15 0.00 0.00 33.47 31.93 2ysq s TRP 17 CO 0.85 -0.55 1.48 0.16 0.02 0.00 0.00 176.95 178.92 2ysq s ASP 18 N -3.07 6.79 -0.93 2.95 1.47 -1.26 -3.81 116.67 118.80 2ysq s ASP 18 Ca 0.27 2.01 -0.01 0.00 1.18 0.00 0.00 52.55 56.00 2ysq s ASP 18 Cb 0.07 -2.54 0.28 0.00 -0.34 0.00 0.00 42.92 40.40 2ysq s ASP 18 CO 0.04 -0.85 1.19 1.57 0.68 0.00 0.00 175.17 177.80 2ysq n HIS 19 N 6.85 2.94 -2.21 2.11 -0.00 -1.13 -4.91 115.22 118.87 2ysq n HIS 19 Ca 0.16 -3.24 -0.37 0.00 0.46 0.00 0.00 57.72 54.73 2ysq n HIS 19 Cb 0.44 -1.04 -0.00 0.00 -0.12 0.00 0.00 29.99 29.26 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 -2.55 3.02 0.11 3.57 -7.23 -1.26 -4.14 120.40 111.93 2ysq s VAL 20 Ca 0.34 0.74 -0.18 0.00 -1.81 0.00 0.00 61.98 61.07 2ysq s VAL 20 Cb 0.07 -3.36 0.04 0.00 0.56 0.00 0.00 36.38 33.69 2ysq s VAL 20 CO 0.05 -0.04 0.44 0.28 -0.31 0.00 0.00 175.10 175.51 2ysq s THR 21 N -1.57 0.06 -0.12 5.32 -1.32 -1.26 -5.07 115.64 111.68 2ysq s THR 21 Ca 0.66 -0.46 -0.05 0.00 -1.21 0.00 0.00 61.69 60.63 2ysq s THR 21 Cb -0.29 -1.11 -0.26 0.00 -1.51 0.00 0.00 72.50 69.34 2ysq s THR 21 CO 0.34 -0.26 0.37 1.15 -2.21 0.00 0.00 174.62 174.01 2ysq n MET 22 N -0.11 0.75 -0.70 7.08 0.00 -1.26 -4.96 117.12 117.92 2ysq n MET 22 Ca -0.17 0.26 -0.26 0.00 0.00 0.00 0.00 57.70 57.54 2ysq n MET 22 Cb 0.63 -1.71 0.12 0.00 0.00 0.00 0.00 33.22 32.26 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ysq n ALA 23 N -2.97 -2.49 0.02 3.17 0.00 -1.26 -5.00 120.51 111.98 2ysq n ALA 23 Ca -0.31 -1.11 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 2ysq n ALA 23 Cb 1.05 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 2ysq n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ysq n ASN 24 N 0.06 1.14 -0.04 0.00 3.02 -1.26 -4.67 115.26 113.51 2ysq n ASN 24 Ca 0.02 0.16 0.24 0.00 -0.03 0.00 0.00 54.58 54.96 2ysq n ASN 24 Cb 0.50 -0.37 0.64 0.00 -0.61 0.00 0.00 39.78 39.94 2ysq n ASN 24 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2ysq h ARG 25 N -0.16 0.00 -7.32 3.52 0.11 -1.97 -3.41 114.38 105.15 2ysq h ARG 25 Ca -0.01 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.59 2ysq h ARG 25 Cb 0.27 0.00 0.16 0.00 1.11 0.00 0.00 29.97 31.51 2ysq h ARG 25 CO -0.01 0.00 0.22 -1.83 0.10 0.00 0.00 179.97 178.45 2ysq s GLU 26 N -4.55 0.88 -0.46 0.08 4.04 -1.26 -4.35 118.70 113.08 2ysq s GLU 26 Ca -0.04 0.80 -0.15 0.00 0.04 0.00 0.00 54.97 55.63 2ysq s GLU 26 Cb 0.15 -1.77 0.07 0.00 0.02 0.00 0.00 34.13 32.60 2ysq s GLU 26 CO 0.52 -2.49 0.38 -1.17 -1.84 0.00 0.00 175.26 170.66 2ysq s LEU 27 N -6.38 5.55 0.12 1.83 2.96 -0.89 -4.79 118.68 117.07 2ysq s LEU 27 Ca 0.64 -1.32 -0.17 0.00 -0.22 0.00 0.00 54.13 53.07 2ysq s LEU 27 Cb -0.19 -2.16 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 2ysq s LEU 27 CO 0.58 -0.62 0.56 0.00 -1.32 0.00 0.00 176.35 175.55 2ysq s ALA 28 N 1.62 3.58 0.21 5.97 0.00 -1.26 -4.85 121.76 127.03 2ysq s ALA 28 Ca 0.04 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 2ysq s ALA 28 Cb -0.24 -2.58 0.07 0.00 0.00 0.00 0.00 23.12 20.37 2ysq s ALA 28 CO 0.06 0.43 0.91 1.97 0.00 0.00 0.00 175.76 179.13 2ysq n PHE 29 N 1.20 -1.49 -4.54 0.00 1.16 -1.26 -5.08 117.46 107.44 2ysq n PHE 29 Ca -0.07 -1.28 -0.26 0.00 -1.87 0.00 0.00 57.45 53.97 2ysq n PHE 29 Cb 0.51 0.63 -0.09 0.00 -1.61 0.00 0.00 39.48 38.92 2ysq n PHE 29 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 2ysq s LYS 30 N -2.05 1.88 -0.47 3.97 -2.85 -1.26 -2.84 119.74 116.11 2ysq s LYS 30 Ca 0.20 -2.12 -0.27 0.00 -1.00 0.00 0.00 55.97 52.78 2ysq s LYS 30 Cb -0.03 -0.95 -0.04 0.00 -2.06 0.00 0.00 37.83 34.75 2ysq s LYS 30 CO 0.06 -0.32 2.08 0.00 0.10 0.00 0.00 175.35 177.28 2ysq s ALA 31 N -3.14 2.18 0.00 0.59 0.00 -1.25 -2.47 121.76 117.68 2ysq s ALA 31 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2ysq s ALA 31 Cb 0.05 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2ysq s ALA 31 CO 0.13 -3.72 0.00 0.41 0.00 0.00 0.00 175.76 172.58 2ysq n GLY 32 N 5.76 4.15 3.06 0.00 0.00 -0.17 -4.93 105.19 113.06 2ysq n GLY 32 Ca 0.28 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.27 -4.03 1.61 9.92 -1.03 -4.52 116.55 114.22 2ysq n ASP 33 Ca 0.00 0.10 -0.30 0.00 -0.53 0.00 0.00 54.79 54.06 2ysq n ASP 33 Cb 0.00 -0.72 -0.16 0.00 -0.64 0.00 0.00 41.12 39.59 2ysq n ASP 33 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ysq s VAL 34 N -2.06 1.64 -0.10 2.53 1.01 -1.26 -2.55 120.40 119.61 2ysq s VAL 34 Ca 0.41 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2ysq s VAL 34 Cb -0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2ysq s VAL 34 CO 0.74 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 175.62 2ysq s ILE 35 N 1.46 3.80 -0.38 2.22 1.09 -1.08 -4.71 121.20 123.60 2ysq s ILE 35 Ca 0.05 -0.42 -0.13 0.00 -1.10 0.00 0.00 60.65 59.05 2ysq s ILE 35 Cb -0.13 -2.60 0.02 0.00 -1.06 0.00 0.00 42.46 38.69 2ysq s ILE 35 CO -0.11 0.56 0.25 -0.75 -0.10 0.00 0.00 174.94 174.79 2ysq s LYS 36 N -0.37 2.96 0.01 2.79 2.20 -0.75 -2.31 119.74 124.27 2ysq s LYS 36 Ca 0.06 -1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 54.36 2ysq s LYS 36 Cb -0.12 -3.83 -0.06 0.00 -1.51 0.00 0.00 37.83 32.30 2ysq s LYS 36 CO 0.02 -0.69 1.44 0.08 -0.36 0.00 0.00 175.35 175.84 2ysq s VAL 37 N 1.62 3.61 -0.19 4.02 1.01 -0.27 -1.77 120.40 128.43 2ysq s VAL 37 Ca 0.04 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 2ysq s VAL 37 Cb -0.19 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2ysq s VAL 37 CO 0.08 -0.00 -0.32 0.18 0.00 0.00 0.00 175.10 175.04 2ysq n LEU 38 N 5.39 1.83 -4.03 3.92 4.77 -1.11 -4.01 117.00 123.77 2ysq n LEU 38 Ca 0.13 0.31 -0.31 0.00 -0.03 0.00 0.00 56.01 56.12 2ysq n LEU 38 Cb 0.43 -0.71 -0.16 0.00 -2.33 0.00 0.00 43.42 40.64 2ysq n LEU 38 CO 0.59 -0.01 -0.49 -1.81 -1.33 0.00 0.00 177.39 174.34 2ysq s ASP 39 N -6.41 2.91 -0.65 -1.43 1.01 -1.26 -5.00 116.67 105.84 2ysq s ASP 39 Ca -0.29 -0.60 0.04 0.00 0.71 0.00 0.00 52.55 52.41 2ysq s ASP 39 Cb 0.07 -1.24 0.34 0.00 1.01 0.00 0.00 42.92 43.11 2ysq s ASP 39 CO 0.41 -0.07 1.13 0.00 0.21 0.00 0.00 175.17 176.84 2ysq n ALA 40 N 4.73 4.98 -0.04 5.23 0.00 -1.26 -3.05 120.51 131.10 2ysq n ALA 40 Ca -0.17 -4.66 -0.15 0.00 0.00 0.00 0.00 53.44 48.46 2ysq n ALA 40 Cb 0.49 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 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 3.17 0.12 -3.62 0.00 0.87 -1.96 -3.46 113.55 108.65 2ysq h SER 41 Ca 0.22 -0.87 -0.44 0.00 -1.23 0.00 0.00 61.79 59.46 2ysq h SER 41 Cb 0.49 -0.04 0.18 0.00 -0.44 0.00 0.00 62.40 62.59 2ysq h SER 41 CO 0.89 0.98 0.12 0.20 -0.53 0.00 0.00 176.83 178.49 2ysq s ASN 42 N -6.27 1.85 0.00 6.23 -0.87 -1.25 -5.01 114.94 109.62 2ysq s ASN 42 Ca -0.17 1.22 0.00 0.00 -1.57 0.00 0.00 52.86 52.34 2ysq s ASN 42 Cb -0.01 -1.91 0.00 0.00 -0.02 0.00 0.00 41.25 39.31 2ysq s ASN 42 CO 0.72 -3.62 0.52 0.29 -2.57 0.00 0.00 177.10 172.44 2ysq n LYS 43 N -4.50 0.00 -1.70 -0.60 5.02 -1.26 -4.31 118.16 110.81 2ysq n LYS 43 Ca 0.05 0.33 -0.25 0.00 -2.02 0.00 0.00 58.31 56.42 2ysq n LYS 43 Cb 0.57 -1.14 0.06 0.00 -0.02 0.00 0.00 35.03 34.49 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2ysq n ASP 44 N -1.49 5.43 -3.56 4.39 9.92 -1.26 -4.91 116.55 125.07 2ysq n ASP 44 Ca 0.00 -3.77 -0.26 0.00 -0.53 0.00 0.00 54.79 50.23 2ysq n ASP 44 Cb 0.00 -0.55 -0.16 0.00 -0.64 0.00 0.00 41.12 39.78 2ysq n ASP 44 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2ysq s TRP 45 N -3.63 0.16 0.14 1.24 0.23 -1.26 -3.82 118.94 112.00 2ysq s TRP 45 Ca 0.54 -0.46 0.06 0.00 -2.03 0.00 0.00 56.10 54.21 2ysq s TRP 45 Cb 0.44 -0.72 -0.04 0.00 0.03 0.00 0.00 33.47 33.17 2ysq s TRP 45 CO 0.02 -0.66 -0.13 -1.58 0.96 0.00 0.00 176.95 175.56 2ysq s TRP 46 N 2.15 1.41 -0.11 -1.98 0.51 -1.26 -3.80 118.94 115.86 2ysq s TRP 46 Ca 0.05 -0.61 -0.26 0.00 -2.12 0.00 0.00 56.10 53.17 2ysq s TRP 46 Cb -0.16 -0.72 -0.02 0.00 -0.81 0.00 0.00 33.47 31.76 2ysq s TRP 46 CO -0.21 0.16 0.84 -0.46 -0.51 0.00 0.00 176.95 176.77 2ysq s TRP 47 N -2.53 3.51 -0.04 -1.98 -0.11 -1.17 -3.35 118.94 113.26 2ysq s TRP 47 Ca 0.13 1.35 -0.10 0.00 1.22 0.00 0.00 56.10 58.70 2ysq s TRP 47 Cb -0.03 -2.99 -0.05 0.00 -1.50 0.00 0.00 33.47 28.90 2ysq s TRP 47 CO 0.03 -0.12 0.28 0.20 -4.62 0.00 0.00 176.95 172.73 2ysq s GLY 48 N 1.03 2.32 -0.18 5.86 0.00 0.63 -2.73 107.32 114.25 2ysq s GLY 48 Ca 0.41 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2ysq s GLY 48 CO 0.17 -0.14 -0.08 1.62 0.00 0.00 0.00 173.10 174.67 2ysq s GLN 49 N -1.18 1.71 0.17 2.90 0.74 -0.73 -1.99 119.66 121.27 2ysq s GLN 49 Ca 0.21 -0.68 0.07 0.00 0.05 0.00 0.00 55.36 55.01 2ysq s GLN 49 Cb -0.14 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 2ysq s GLN 49 CO 0.10 -0.44 0.02 0.42 -0.55 0.00 0.00 175.29 174.84 2ysq s ILE 50 N 1.52 3.83 0.08 -2.34 1.01 0.10 -1.82 121.20 123.58 2ysq s ILE 50 Ca -0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.12 2ysq s ILE 50 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2ysq s ILE 50 CO -0.08 -0.10 1.00 -0.67 0.00 0.00 0.00 174.94 175.09 2ysq n ASP 51 N -0.12 -0.56 -0.10 3.58 -0.08 -1.26 -3.20 116.55 114.81 2ysq n ASP 51 Ca -0.10 1.12 -0.15 0.00 -1.51 0.00 0.00 54.79 54.16 2ysq n ASP 51 Cb 0.55 -0.22 -0.09 0.00 2.34 0.00 0.00 41.12 43.70 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 -4.31 2.37 -4.82 1.67 8.00 -1.26 -4.99 116.55 113.20 2ysq n ASP 52 Ca 0.01 -0.10 -0.33 0.00 0.71 0.00 0.00 54.79 55.08 2ysq n ASP 52 Cb 0.14 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.41 3.97 -0.24 -1.24 0.41 -1.19 -5.07 118.70 112.91 2ysq s GLU 53 Ca -0.28 1.14 -0.16 0.00 -0.41 0.00 0.00 54.97 55.26 2ysq s GLU 53 Cb 0.07 -2.13 0.07 0.00 -1.78 0.00 0.00 34.13 30.36 2ysq s GLU 53 CO 0.47 -0.26 0.61 -1.21 -0.49 0.00 0.00 175.26 174.38 2ysq s GLU 54 N -3.51 0.64 0.00 1.61 2.02 -1.26 0.01 118.70 118.21 2ysq s GLU 54 Ca 0.63 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.65 2ysq s GLU 54 Cb -0.12 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2ysq s GLU 54 CO 0.22 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.77 2ysq n GLY 55 N 3.89 -0.61 3.90 -1.39 0.00 -0.84 -4.85 105.19 105.29 2ysq n GLY 55 Ca -0.19 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.00 3.52 -0.01 1.61 0.52 -1.26 -0.27 118.94 119.05 2ysq s TRP 56 Ca 0.00 0.30 -0.06 0.00 0.02 0.00 0.00 56.10 56.36 2ysq s TRP 56 Cb 0.00 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.53 2ysq s TRP 56 CO 0.00 0.62 0.11 -0.59 0.02 0.00 0.00 176.95 177.11 2ysq s PHE 57 N -1.40 0.02 0.20 -1.98 -0.71 -1.21 -2.10 117.98 110.80 2ysq s PHE 57 Ca 0.30 -0.05 -0.30 0.00 -1.04 0.00 0.00 56.93 55.84 2ysq s PHE 57 Cb -0.13 -0.04 -0.09 0.00 -1.21 0.00 0.00 43.02 41.55 2ysq s PHE 57 CO 0.23 -0.22 1.30 -1.25 -1.34 0.00 0.00 175.22 173.94 2ysq s PRO 58 N -1.00 4.39 0.00 1.99 0.04 -1.26 -4.16 135.00 135.00 2ysq s PRO 58 Ca -0.11 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.26 2ysq s PRO 58 Cb -0.06 -3.19 1.16 0.00 0.04 0.00 0.00 34.50 32.44 2ysq s PRO 58 CO 0.01 -0.24 1.83 0.00 0.04 0.00 0.00 177.00 178.64 2ysq n ALA 59 N 2.57 2.77 -0.03 8.56 0.00 -1.25 -3.69 120.51 129.44 2ysq n ALA 59 Ca 0.06 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 2ysq n ALA 59 Cb 0.43 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.12 1.60 -1.54 0.00 2.88 -1.26 -4.16 113.62 110.02 2ysq n SER 60 Ca 0.12 0.18 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 2ysq n SER 60 Cb 0.29 -0.42 0.05 0.00 -0.75 0.00 0.00 64.21 63.38 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 -3.27 1.05 -3.80 0.66 3.01 -1.24 -4.82 117.46 109.05 2ysq n PHE 61 Ca -0.31 -1.20 -0.12 0.00 1.01 0.00 0.00 57.45 56.83 2ysq n PHE 61 Cb 1.05 -0.60 -0.10 0.00 -0.01 0.00 0.00 39.48 39.83 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 -1.28 0.06 -0.12 -4.37 -7.23 -1.26 -2.28 120.40 103.92 2ysq s VAL 62 Ca 0.20 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.85 2ysq s VAL 62 Cb 0.16 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 2ysq s VAL 62 CO 0.02 -0.26 0.08 -0.13 -0.31 0.00 0.00 175.10 174.50 2ysq s ARG 63 N -1.09 3.39 -0.11 4.82 1.81 0.36 -4.84 118.95 123.29 2ysq s ARG 63 Ca -0.12 -0.27 -0.17 0.00 -1.72 0.00 0.00 55.73 53.45 2ysq s ARG 63 Cb -0.05 -3.06 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 2ysq s ARG 63 CO 0.03 0.65 0.45 -0.51 -0.68 0.00 0.00 175.30 175.23 2ysq s LEU 64 N -0.70 4.30 -0.04 2.53 1.43 -1.26 -1.51 118.68 123.43 2ysq s LEU 64 Ca 0.12 0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 2ysq s LEU 64 Cb -0.12 -2.64 -0.20 0.00 0.03 0.00 0.00 46.19 43.26 2ysq s LEU 64 CO 0.03 0.05 1.18 -0.50 0.23 0.00 0.00 176.35 177.33 2ysq h TRP 65 N 6.48 -0.03 -3.92 0.29 6.55 -1.96 -3.44 115.95 119.91 2ysq h TRP 65 Ca -0.42 -0.00 -0.49 0.00 0.95 0.00 0.00 58.89 58.93 2ysq h TRP 65 Cb 1.18 0.01 0.01 0.00 -0.86 0.00 0.00 29.16 29.51 2ysq h TRP 65 CO 0.63 0.50 0.42 0.14 -1.05 0.00 0.00 178.44 179.07 2ysq s VAL 66 N -3.98 3.71 -0.26 1.49 -7.23 -1.26 -5.05 120.40 107.82 2ysq s VAL 66 Ca -0.16 1.41 -0.26 0.00 -1.81 0.00 0.00 61.98 61.17 2ysq s VAL 66 Cb 0.01 -3.78 0.09 0.00 0.56 0.00 0.00 36.38 33.26 2ysq s VAL 66 CO 0.65 0.11 0.81 0.21 -0.31 0.00 0.00 175.10 176.57 2ysq s ASN 67 N -1.41 -0.65 -0.42 4.85 2.47 -1.26 -5.07 114.94 113.45 2ysq s ASN 67 Ca 0.54 1.21 0.07 0.00 0.42 0.00 0.00 52.86 55.11 2ysq s ASN 67 Cb -0.24 1.22 0.43 0.00 -1.45 0.00 0.00 41.25 41.20 2ysq s ASN 67 CO 0.30 -0.25 1.07 1.67 -3.72 0.00 0.00 177.10 176.18 2ysq n GLN 68 N 2.40 2.98 -3.62 0.43 -0.06 -1.26 -4.99 117.38 113.26 2ysq n GLN 68 Ca -0.14 -4.27 -0.27 0.00 -2.00 0.00 0.00 57.00 50.32 2ysq n GLN 68 Cb 0.55 -2.06 -0.17 0.00 -4.06 0.00 0.00 30.24 24.51 2ysq n GLN 68 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2ysq s GLU 69 N -3.45 0.18 -0.06 3.69 2.12 -1.26 -5.02 118.70 114.90 2ysq s GLU 69 Ca 0.44 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.53 2ysq s GLU 69 Cb 0.41 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 2ysq s GLU 69 CO -0.14 -0.73 2.48 -3.47 -0.54 0.00 0.00 175.26 172.86 2ysq n ASP 70 N 5.23 5.52 -2.43 -1.70 2.03 -1.26 -4.42 116.55 119.53 2ysq n ASP 70 Ca -0.07 -2.55 -0.34 0.00 0.52 0.00 0.00 54.79 52.34 2ysq n ASP 70 Cb 0.48 -1.20 0.06 0.00 -0.72 0.00 0.00 41.12 39.73 2ysq n ASP 70 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2ysq n GLU 71 N 1.59 2.86 -3.72 -0.67 4.07 -1.26 -4.92 120.64 118.58 2ysq n GLU 71 Ca 0.18 -3.52 -0.13 0.00 -0.06 0.00 0.00 57.16 53.64 2ysq n GLU 71 Cb 0.63 -2.28 -0.10 0.00 -0.06 0.00 0.00 31.44 29.62 2ysq n GLU 71 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ysq s VAL 72 N -4.89 -0.01 0.45 6.31 1.01 -1.26 -5.16 120.40 116.85 2ysq s VAL 72 Ca 0.59 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 2ysq s VAL 72 Cb 0.48 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 36.21 2ysq s VAL 72 CO -0.11 0.01 0.83 -1.83 0.00 0.00 0.00 175.10 174.00 2ysq s GLU 73 N 0.48 3.75 0.19 2.72 -1.05 -1.26 -5.10 118.70 118.43 2ysq s GLU 73 Ca -0.02 0.52 0.08 0.00 -0.15 0.00 0.00 54.97 55.40 2ysq s GLU 73 Cb -0.04 -2.32 -0.05 0.00 -0.44 0.00 0.00 34.13 31.28 2ysq s GLU 73 CO -0.02 -0.14 -0.15 -2.00 0.95 0.00 0.00 175.26 173.90 2ysq s GLU 74 N -4.13 1.29 0.00 -4.83 -6.30 -1.26 -5.10 118.70 98.37 2ysq s GLU 74 Ca 0.52 -1.53 0.00 0.00 -2.50 0.00 0.00 54.97 51.46 2ysq s GLU 74 Cb -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 34.13 32.90 2ysq s GLU 74 CO 0.35 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.24 2ysq n GLY 75 N -0.21 -0.51 3.85 -1.50 0.00 -1.26 -5.19 105.19 100.36 2ysq n GLY 75 Ca -0.09 0.65 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 2ysq n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysq s SER 76 N 0.00 0.01 0.00 1.61 1.04 -1.26 -5.19 113.70 109.91 2ysq s SER 76 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2ysq s SER 76 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2ysq s SER 76 CO 0.00 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2ysq n GLY 77 N -0.62 3.77 3.70 7.32 0.00 -1.26 -5.16 105.19 112.94 2ysq n GLY 77 Ca -0.06 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2ysq n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysq s PRO 78 N -1.75 0.86 0.07 1.61 0.04 -1.26 -5.04 135.00 129.54 2ysq s PRO 78 Ca 0.00 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 2ysq s PRO 78 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 2ysq s PRO 78 CO 0.00 -2.48 -0.04 -1.13 0.04 0.00 0.00 177.00 173.40 2ysq n SER 79 N -4.02 1.19 -4.54 6.66 3.41 -1.26 -5.11 113.62 109.95 2ysq n SER 79 Ca 0.06 0.16 -0.27 0.00 -0.26 0.00 0.00 58.87 58.56 2ysq n SER 79 Cb 0.56 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 2ysq n SER 79 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysq s SER 80 N -5.98 3.36 0.00 4.04 0.15 -1.26 -5.38 113.70 108.62 2ysq s SER 80 Ca -0.03 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.16 2ysq s SER 80 Cb 0.00 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2ysq s SER 80 CO 0.04 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.46