#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 6.36 -0.04 1.61 0.15 -1.26 -4.95 113.70 115.57 2ysq s SER 2 Ca 0.00 -1.87 -0.30 0.00 0.70 0.00 0.00 55.95 54.48 2ysq s SER 2 Cb 0.00 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.67 2ysq s SER 2 CO 0.00 -1.66 1.78 -0.55 1.20 0.00 0.00 173.24 174.02 2ysq s SER 3 N 5.08 6.53 0.39 5.45 0.15 -1.26 -4.99 113.70 125.06 2ysq s SER 3 Ca 0.55 2.34 0.05 0.00 0.70 0.00 0.00 55.95 59.59 2ysq s SER 3 Cb 0.01 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2ysq s SER 3 CO 0.02 -1.03 0.40 0.61 1.20 0.00 0.00 173.24 174.44 2ysq n GLY 4 N 4.37 2.48 2.87 9.45 0.00 -1.26 -5.14 105.19 117.94 2ysq n GLY 4 Ca 0.19 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 2ysq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysq s SER 5 N -3.37 0.12 -0.27 1.61 0.15 -1.26 -5.15 113.70 105.52 2ysq s SER 5 Ca 0.30 -0.01 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 2ysq s SER 5 Cb -0.02 -0.03 0.08 0.00 -1.71 0.00 0.00 66.02 64.33 2ysq s SER 5 CO 0.19 -0.01 0.75 -0.94 1.20 0.00 0.00 173.24 174.43 2ysq s SER 6 N 0.19 -0.73 0.00 5.45 1.04 -1.26 -5.16 113.70 113.22 2ysq s SER 6 Ca -0.02 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2ysq s SER 6 Cb -0.03 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.49 2ysq s SER 6 CO -0.01 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2ysq n GLY 7 N 2.79 3.54 3.41 7.32 0.00 -1.26 -5.19 105.19 115.80 2ysq n GLY 7 Ca -0.14 -0.11 -0.21 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 0.00 2.08 0.35 1.61 1.11 -1.26 -5.13 116.67 115.42 2ysq s ASP 8 Ca 0.00 -1.58 -0.27 0.00 0.18 0.00 0.00 52.55 50.87 2ysq s ASP 8 Cb 0.00 0.37 -0.09 0.00 1.07 0.00 0.00 42.92 44.27 2ysq s ASP 8 CO 0.00 -0.87 1.19 -0.55 1.18 0.00 0.00 175.17 176.12 2ysq s SER 9 N -3.47 6.80 -0.23 0.27 0.15 -1.26 -5.01 113.70 110.95 2ysq s SER 9 Ca 0.32 2.44 -0.13 0.00 0.70 0.00 0.00 55.95 59.27 2ysq s SER 9 Cb 0.05 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2ysq s SER 9 CO 0.17 -0.49 0.28 -0.63 1.20 0.00 0.00 173.24 173.77 2ysq s ILE 10 N -1.26 5.27 0.14 6.45 1.09 -1.26 -5.01 121.20 126.62 2ysq s ILE 10 Ca 0.51 0.43 0.07 0.00 -1.10 0.00 0.00 60.65 60.56 2ysq s ILE 10 Cb -0.34 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 2ysq s ILE 10 CO 0.44 0.28 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.84 2ysq s VAL 11 N 1.31 3.65 -0.05 2.92 1.01 -1.20 -5.04 120.40 123.00 2ysq s VAL 11 Ca 0.13 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2ysq s VAL 11 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2ysq s VAL 11 CO 0.07 -0.02 -0.07 -0.94 0.00 0.00 0.00 175.10 174.14 2ysq s SER 12 N -2.65 1.29 0.16 3.32 1.04 -1.26 -0.65 113.70 114.95 2ysq s SER 12 Ca 0.26 -0.20 0.08 0.00 0.48 0.00 0.00 55.95 56.57 2ysq s SER 12 Cb -0.10 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 2ysq s SER 12 CO 0.17 -0.02 -0.09 0.00 0.98 0.00 0.00 173.24 174.28 2ysq s ALA 13 N 0.84 2.95 -0.18 5.32 0.00 -1.12 -2.70 121.76 126.88 2ysq s ALA 13 Ca -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 2ysq s ALA 13 Cb -0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 2ysq s ALA 13 CO 0.01 0.51 -0.07 -2.00 0.00 0.00 0.00 175.76 174.22 2ysq s GLU 14 N -2.66 3.45 -0.45 0.00 2.12 -0.70 -3.02 118.70 117.45 2ysq s GLU 14 Ca 0.24 -0.62 -0.27 0.00 0.36 0.00 0.00 54.97 54.68 2ysq s GLU 14 Cb -0.09 -2.87 -0.08 0.00 0.26 0.00 0.00 34.13 31.35 2ysq s GLU 14 CO 0.15 0.03 2.38 0.00 -0.54 0.00 0.00 175.26 177.28 2ysq n ALA 15 N 4.10 1.02 0.07 6.30 0.00 -1.19 -2.36 120.51 128.46 2ysq n ALA 15 Ca -0.18 -0.69 -0.17 0.00 0.00 0.00 0.00 53.44 52.40 2ysq n ALA 15 Cb 0.52 -3.05 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 2ysq n ALA 15 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2ysq h VAL 16 N 7.56 1.20 -3.18 0.00 3.04 -1.89 -2.57 116.25 120.41 2ysq h VAL 16 Ca -0.27 -2.82 -0.54 0.00 -1.01 0.00 0.00 66.70 62.06 2ysq h VAL 16 Cb 1.27 2.80 -0.37 0.00 -2.01 0.00 0.00 31.29 32.98 2ysq h VAL 16 CO 1.12 0.83 -0.81 0.26 -1.01 0.00 0.00 177.57 177.96 2ysq s TRP 17 N -2.62 1.57 -0.03 3.17 0.52 -1.19 -4.83 118.94 115.53 2ysq s TRP 17 Ca -0.08 -0.79 -0.39 0.00 0.02 0.00 0.00 56.10 54.85 2ysq s TRP 17 Cb 0.07 -1.27 -0.18 0.00 -1.15 0.00 0.00 33.47 30.93 2ysq s TRP 17 CO 0.86 -0.52 1.27 -0.25 0.02 0.00 0.00 176.95 178.33 2ysq n ASP 18 N 4.86 0.92 -3.92 2.95 8.00 -1.26 -4.73 116.55 123.37 2ysq n ASP 18 Ca -0.14 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.18 2ysq n ASP 18 Cb 0.50 -1.04 -0.08 0.00 -0.02 0.00 0.00 41.12 40.49 2ysq n ASP 18 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2ysq n HIS 19 N 2.41 3.73 -2.25 1.24 -0.00 -1.17 -4.96 115.22 114.22 2ysq n HIS 19 Ca 0.21 -4.07 -0.38 0.00 0.46 0.00 0.00 57.72 53.93 2ysq n HIS 19 Cb 0.11 -0.91 -0.02 0.00 -0.12 0.00 0.00 29.99 29.06 2ysq n HIS 19 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2ysq s VAL 20 N -1.72 3.06 -0.06 3.57 1.01 -1.26 -3.93 120.40 121.08 2ysq s VAL 20 Ca 0.29 0.88 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2ysq s VAL 20 Cb -0.01 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2ysq s VAL 20 CO -0.10 0.07 -0.13 0.42 0.00 0.00 0.00 175.10 175.36 2ysq s THR 21 N -1.41 1.20 0.30 3.92 -4.23 -1.26 -5.02 115.64 109.14 2ysq s THR 21 Ca 0.58 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2ysq s THR 21 Cb -0.31 -1.08 0.28 0.00 1.34 0.00 0.00 72.50 72.73 2ysq s THR 21 CO 0.39 0.37 1.92 0.00 -0.54 0.00 0.00 174.62 176.76 2ysq h MET 22 N 6.79 1.00 -6.43 3.99 -0.00 -1.96 -3.43 114.93 114.88 2ysq h MET 22 Ca -0.31 -0.06 -0.42 0.00 -0.00 0.00 0.00 59.70 58.91 2ysq h MET 22 Cb 1.19 -0.22 0.02 0.00 -0.00 0.00 0.00 31.60 32.58 2ysq h MET 22 CO 0.48 0.66 -0.26 0.00 -0.00 0.00 0.00 176.91 177.78 2ysq s ALA 23 N -5.90 4.52 -0.05 -3.00 0.00 -1.26 -5.04 121.76 111.03 2ysq s ALA 23 Ca -0.11 -1.68 0.11 0.00 0.00 0.00 0.00 51.96 50.28 2ysq s ALA 23 Cb 0.20 -1.61 -0.23 0.00 0.00 0.00 0.00 23.12 21.47 2ysq s ALA 23 CO 0.80 -0.28 0.64 -1.71 0.00 0.00 0.00 175.76 175.21 2ysq n ASN 24 N -1.84 0.97 -0.17 0.00 5.15 -1.26 -4.19 115.26 113.92 2ysq n ASN 24 Ca 0.08 0.40 -0.02 0.00 -0.60 0.00 0.00 54.58 54.44 2ysq n ASN 24 Cb 0.59 -0.13 0.08 0.00 -0.53 0.00 0.00 39.78 39.79 2ysq n ASN 24 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2ysq h ARG 25 N 0.01 0.30 -6.24 1.20 -0.00 -1.97 -3.40 114.38 104.29 2ysq h ARG 25 Ca -0.30 -0.02 -0.55 0.00 -0.50 0.00 0.00 59.98 58.61 2ysq h ARG 25 Cb 2.02 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 31.90 2ysq h ARG 25 CO 0.08 0.20 1.05 -1.21 0.00 0.00 0.00 179.97 180.09 2ysq s GLU 26 N -6.12 4.15 -0.24 0.04 2.02 -1.26 -4.85 118.70 112.44 2ysq s GLU 26 Ca -0.13 2.02 -0.37 0.00 0.02 0.00 0.00 54.97 56.51 2ysq s GLU 26 Cb 0.16 -3.94 -0.17 0.00 0.10 0.00 0.00 34.13 30.28 2ysq s GLU 26 CO 0.73 -0.86 1.14 -0.11 0.02 0.00 0.00 175.26 176.18 2ysq n LEU 27 N 7.15 0.58 -4.18 1.80 7.94 -1.25 -4.81 117.00 124.22 2ysq n LEU 27 Ca 0.17 0.98 -0.34 0.00 -1.11 0.00 0.00 56.01 55.70 2ysq n LEU 27 Cb 0.43 -0.74 -0.15 0.00 0.53 0.00 0.00 43.42 43.49 2ysq n LEU 27 CO 0.61 -1.07 -0.43 0.00 -1.11 0.00 0.00 177.39 175.39 2ysq s ALA 28 N 1.44 2.63 0.27 1.96 0.00 -1.26 -4.77 121.76 122.02 2ysq s ALA 28 Ca 0.82 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2ysq s ALA 28 Cb -1.16 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2ysq s ALA 28 CO 0.59 -0.74 0.18 -0.59 0.00 0.00 0.00 175.76 175.20 2ysq s PHE 29 N 1.31 1.47 0.12 0.00 -0.12 -1.25 -5.08 117.98 114.43 2ysq s PHE 29 Ca 0.01 -1.46 0.02 0.00 -0.05 0.00 0.00 56.93 55.44 2ysq s PHE 29 Cb -0.16 -0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 2ysq s PHE 29 CO -0.06 -0.68 -0.06 -1.59 -0.05 0.00 0.00 175.22 172.79 2ysq s LYS 30 N -3.85 0.92 -0.60 1.99 0.00 -1.26 -3.05 119.74 113.89 2ysq s LYS 30 Ca 0.39 -1.39 -0.33 0.00 0.00 0.00 0.00 55.97 54.64 2ysq s LYS 30 Cb 0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 37.83 37.46 2ysq s LYS 30 CO 0.18 -0.03 2.39 0.00 0.00 0.00 0.00 175.35 177.90 2ysq n ALA 31 N -0.10 0.67 0.00 0.59 0.00 -1.26 -1.09 120.51 119.31 2ysq n ALA 31 Ca -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2ysq n ALA 31 Cb 0.61 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 6.53 4.03 3.69 0.00 0.00 -0.97 -5.01 105.19 113.47 2ysq n GLY 32 Ca 0.50 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 3.21 -4.60 1.61 9.92 -0.25 -4.72 116.55 121.72 2ysq n ASP 33 Ca 0.00 1.12 -0.40 0.00 -0.53 0.00 0.00 54.79 54.99 2ysq n ASP 33 Cb 0.00 -1.48 -0.08 0.00 -0.64 0.00 0.00 41.12 38.91 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 0.25 5.13 -0.14 2.53 1.01 -1.26 -3.19 120.40 124.72 2ysq s VAL 34 Ca 0.70 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 2ysq s VAL 34 Cb -0.60 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2ysq s VAL 34 CO 0.46 0.10 0.00 -0.63 0.00 0.00 0.00 175.10 175.02 2ysq s ILE 35 N 2.17 4.26 -0.54 2.22 1.01 -1.17 -4.86 121.20 124.30 2ysq s ILE 35 Ca 0.17 -0.24 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 2ysq s ILE 35 Cb -0.16 -2.86 0.04 0.00 0.01 0.00 0.00 42.46 39.49 2ysq s ILE 35 CO 0.10 0.52 0.98 -0.75 0.00 0.00 0.00 174.94 175.79 2ysq s LYS 36 N -0.04 3.40 -0.32 2.79 2.20 -1.12 -2.81 119.74 123.84 2ysq s LYS 36 Ca 0.03 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.27 2ysq s LYS 36 Cb -0.13 -4.02 -0.01 0.00 -1.51 0.00 0.00 37.83 32.16 2ysq s LYS 36 CO 0.02 -1.47 1.56 0.08 -0.36 0.00 0.00 175.35 175.18 2ysq s VAL 37 N 4.09 3.76 -0.25 4.02 1.01 0.18 -1.68 120.40 131.53 2ysq s VAL 37 Ca 0.34 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2ysq s VAL 37 Cb -0.11 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 2ysq s VAL 37 CO 0.22 -0.50 -0.24 0.18 0.00 0.00 0.00 175.10 174.76 2ysq n LEU 38 N 8.96 2.80 -4.09 3.92 4.77 -1.06 -3.26 117.00 129.04 2ysq n LEU 38 Ca 0.19 -0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.77 2ysq n LEU 38 Cb 0.47 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 2ysq n LEU 38 CO 0.67 0.85 -0.29 -0.62 -1.33 0.00 0.00 177.39 176.68 2ysq s ASP 39 N -6.52 4.94 -0.60 -1.43 2.15 -1.24 -4.99 116.67 108.98 2ysq s ASP 39 Ca -0.33 -1.85 0.06 0.00 0.43 0.00 0.00 52.55 50.85 2ysq s ASP 39 Cb 0.09 -1.71 0.21 0.00 -0.30 0.00 0.00 42.92 41.21 2ysq s ASP 39 CO 0.55 -0.40 0.58 0.00 -0.17 0.00 0.00 175.17 175.73 2ysq n ALA 40 N 4.47 3.45 -0.09 3.66 0.00 -1.26 -2.94 120.51 127.79 2ysq n ALA 40 Ca -0.04 -4.27 -0.22 0.00 0.00 0.00 0.00 53.44 48.91 2ysq n ALA 40 Cb 0.42 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 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 1.57 1.89 -4.14 0.00 2.88 -1.26 -5.01 113.62 109.54 2ysq n SER 41 Ca 0.25 0.40 -0.09 0.00 -1.33 0.00 0.00 58.87 58.10 2ysq n SER 41 Cb 0.42 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.82 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 -6.89 0.57 0.00 -3.46 2.47 -1.26 -5.03 114.94 101.33 2ysq s ASN 42 Ca -0.28 -1.11 -0.03 0.00 0.42 0.00 0.00 52.86 51.85 2ysq s ASN 42 Cb 0.06 0.22 -0.14 0.00 -1.45 0.00 0.00 41.25 39.94 2ysq s ASN 42 CO 0.61 -0.64 2.83 0.29 -3.72 0.00 0.00 177.10 176.47 2ysq n LYS 43 N -0.03 1.51 0.05 0.43 4.76 -1.26 -3.90 118.16 119.71 2ysq n LYS 43 Ca -0.09 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.81 2ysq n LYS 43 Cb 0.62 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ysq n ASP 44 N 2.06 0.46 -4.02 4.39 8.00 -1.26 -4.78 116.55 121.40 2ysq n ASP 44 Ca 0.23 0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.56 2ysq n ASP 44 Cb 0.71 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 41.58 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 -1.59 3.26 -0.17 1.24 0.52 -1.25 -4.52 118.94 116.42 2ysq s TRP 45 Ca 0.00 -2.47 -0.01 0.00 0.02 0.00 0.00 56.10 53.64 2ysq s TRP 45 Cb 0.00 -2.24 0.00 0.00 -1.15 0.00 0.00 33.47 30.08 2ysq s TRP 45 CO 0.00 -0.89 -0.14 -1.58 0.02 0.00 0.00 176.95 174.36 2ysq s TRP 46 N 1.09 2.82 0.16 -1.98 0.52 -1.21 -4.71 118.94 115.63 2ysq s TRP 46 Ca -0.00 -1.13 -0.25 0.00 0.02 0.00 0.00 56.10 54.74 2ysq s TRP 46 Cb -0.19 -1.94 -0.08 0.00 -1.15 0.00 0.00 33.47 30.10 2ysq s TRP 46 CO -0.07 -0.55 0.77 -0.46 0.02 0.00 0.00 176.95 176.65 2ysq s TRP 47 N 1.05 3.90 -0.04 -1.98 -0.11 -1.15 -1.10 118.94 119.51 2ysq s TRP 47 Ca -0.01 1.61 0.02 0.00 1.22 0.00 0.00 56.10 58.94 2ysq s TRP 47 Cb -0.15 -2.75 0.01 0.00 -1.50 0.00 0.00 33.47 29.09 2ysq s TRP 47 CO -0.03 0.52 -0.06 0.20 -4.62 0.00 0.00 176.95 172.95 2ysq s GLY 48 N -1.16 0.48 -0.23 5.86 0.00 0.76 -2.57 107.32 110.46 2ysq s GLY 48 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 2ysq s GLY 48 CO 0.26 0.23 0.02 1.62 0.00 0.00 0.00 173.10 175.23 2ysq s GLN 49 N 0.62 3.57 0.16 2.90 0.74 -0.68 -1.82 119.66 125.16 2ysq s GLN 49 Ca -0.09 -0.53 0.04 0.00 0.05 0.00 0.00 55.36 54.84 2ysq s GLN 49 Cb -0.12 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2ysq s GLN 49 CO 0.01 -0.14 0.18 0.42 -0.55 0.00 0.00 175.29 175.21 2ysq s ILE 50 N 1.42 4.72 0.07 -2.34 1.01 0.17 -2.80 121.20 123.46 2ysq s ILE 50 Ca 0.05 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2ysq s ILE 50 Cb -0.15 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2ysq s ILE 50 CO 0.01 -0.10 0.82 0.47 0.00 0.00 0.00 174.94 176.14 2ysq n ASP 51 N -0.41 -0.45 -0.11 3.58 8.00 -1.26 -3.15 116.55 122.76 2ysq n ASP 51 Ca -0.08 0.92 -0.19 0.00 0.71 0.00 0.00 54.79 56.16 2ysq n ASP 51 Cb 0.54 -0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.37 2ysq n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ysq n ASP 52 N -4.12 2.05 -4.84 -2.24 -0.08 -1.26 -5.00 116.55 101.07 2ysq n ASP 52 Ca 0.01 0.04 -0.32 0.00 -1.51 0.00 0.00 54.79 53.01 2ysq n ASP 52 Cb 0.11 -0.47 -0.01 0.00 2.34 0.00 0.00 41.12 43.10 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 -2.42 3.62 -0.25 -0.67 2.02 -1.19 -5.08 118.70 114.73 2ysq s GLU 53 Ca -0.30 0.97 -0.13 0.00 0.02 0.00 0.00 54.97 55.53 2ysq s GLU 53 Cb 0.09 -2.08 0.08 0.00 0.10 0.00 0.00 34.13 32.32 2ysq s GLU 53 CO 0.45 -0.55 0.60 -1.21 0.02 0.00 0.00 175.26 174.58 2ysq s GLU 54 N -4.41 0.60 0.00 1.61 2.02 -1.26 0.46 118.70 117.72 2ysq s GLU 54 Ca 0.59 1.14 0.00 0.00 0.02 0.00 0.00 54.97 56.72 2ysq s GLU 54 Cb -0.12 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.31 2ysq s GLU 54 CO 0.40 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2ysq n GLY 55 N 4.50 -0.63 3.99 -1.39 0.00 -0.76 -4.85 105.19 106.06 2ysq n GLY 55 Ca -0.19 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.39 2.57 -0.18 1.61 -2.14 -1.26 -0.17 118.94 115.97 2ysq s TRP 56 Ca 0.00 -0.47 -0.28 0.00 2.66 0.00 0.00 56.10 58.01 2ysq s TRP 56 Cb 0.00 -2.32 0.10 0.00 -3.10 0.00 0.00 33.47 28.15 2ysq s TRP 56 CO 0.00 -0.49 0.86 -0.59 -2.66 0.00 0.00 176.95 174.07 2ysq s PHE 57 N -2.42 -0.57 0.23 1.66 -0.12 -0.26 -3.87 117.98 112.63 2ysq s PHE 57 Ca 0.55 1.19 -0.30 0.00 -0.05 0.00 0.00 56.93 58.32 2ysq s PHE 57 Cb -0.08 0.38 -0.09 0.00 -0.63 0.00 0.00 43.02 42.59 2ysq s PHE 57 CO 0.33 -0.40 1.28 -1.25 -0.05 0.00 0.00 175.22 175.14 2ysq s PRO 58 N -0.47 4.41 0.00 1.99 0.04 -1.26 -3.35 135.00 136.36 2ysq s PRO 58 Ca -0.03 2.05 0.29 0.00 0.04 0.00 0.00 61.00 63.35 2ysq s PRO 58 Cb -0.02 -3.18 1.21 0.00 0.04 0.00 0.00 34.50 32.54 2ysq s PRO 58 CO 0.02 -0.19 1.86 0.00 0.04 0.00 0.00 177.00 178.73 2ysq n ALA 59 N 2.20 2.72 0.73 8.56 0.00 -1.26 -3.26 120.51 130.20 2ysq n ALA 59 Ca 0.04 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2ysq n ALA 59 Cb 0.43 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.71 2ysq n ALA 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ysq n SER 60 N -1.17 0.60 -0.92 0.00 3.41 -1.26 -3.77 113.62 110.50 2ysq n SER 60 Ca 0.12 -0.03 0.05 0.00 -0.26 0.00 0.00 58.87 58.76 2ysq n SER 60 Cb 0.29 0.23 0.24 0.00 -0.26 0.00 0.00 64.21 64.70 2ysq n SER 60 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2ysq n PHE 61 N -1.87 0.95 -3.86 7.33 3.01 -1.20 -4.98 117.46 116.84 2ysq n PHE 61 Ca 0.04 -1.07 -0.11 0.00 1.01 0.00 0.00 57.45 57.32 2ysq n PHE 61 Cb 0.40 -0.36 -0.10 0.00 -0.01 0.00 0.00 39.48 39.41 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 -2.94 0.07 -0.11 -4.37 -7.23 -1.25 -3.04 120.40 101.53 2ysq s VAL 62 Ca 0.42 -0.58 -0.00 0.00 -1.81 0.00 0.00 61.98 60.01 2ysq s VAL 62 Cb 0.36 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.87 2ysq s VAL 62 CO 0.06 -0.32 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.30 2ysq s ARG 63 N -1.15 3.19 0.74 4.82 0.52 -0.99 -4.91 118.95 121.17 2ysq s ARG 63 Ca -0.12 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.31 2ysq s ARG 63 Cb -0.07 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.82 2ysq s ARG 63 CO 0.01 0.36 1.16 -0.51 0.02 0.00 0.00 175.30 176.34 2ysq s LEU 64 N -0.01 3.24 -0.09 2.53 1.43 -1.26 -1.72 118.68 122.81 2ysq s LEU 64 Ca -0.02 2.19 -0.21 0.00 -1.03 0.00 0.00 54.13 55.06 2ysq s LEU 64 Cb -0.14 -4.57 -0.29 0.00 0.03 0.00 0.00 46.19 41.23 2ysq s LEU 64 CO 0.04 -2.20 0.72 -0.50 0.23 0.00 0.00 176.35 174.64 2ysq h TRP 65 N -0.51 0.40 -2.30 0.29 4.06 -1.90 -3.43 115.95 112.56 2ysq h TRP 65 Ca -0.46 -0.29 -0.53 0.00 2.06 0.00 0.00 58.89 59.66 2ysq h TRP 65 Cb 1.27 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 29.35 2ysq h TRP 65 CO 0.50 1.36 1.11 0.08 -3.56 0.00 0.00 178.44 177.94 2ysq s VAL 66 N -2.41 3.65 -0.38 1.49 1.01 -1.26 -4.97 120.40 117.53 2ysq s VAL 66 Ca -0.17 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 2ysq s VAL 66 Cb 0.02 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.69 2ysq s VAL 66 CO 0.78 -1.68 0.21 0.21 0.00 0.00 0.00 175.10 174.61 2ysq s ASN 67 N 4.54 5.72 -0.74 3.32 3.84 -1.26 -5.03 114.94 125.33 2ysq s ASN 67 Ca 0.41 -1.04 -0.06 0.00 0.21 0.00 0.00 52.86 52.39 2ysq s ASN 67 Cb -0.09 -2.02 0.19 0.00 -0.55 0.00 0.00 41.25 38.78 2ysq s ASN 67 CO 0.16 -0.40 0.60 0.00 -2.79 0.00 0.00 177.10 174.67 2ysq s GLN 68 N 1.54 3.00 0.01 0.43 -2.07 -1.26 -5.04 119.66 116.27 2ysq s GLN 68 Ca 0.02 -2.67 0.00 0.00 -1.82 0.00 0.00 55.36 50.89 2ysq s GLN 68 Cb -0.19 -3.97 -0.01 0.00 -1.09 0.00 0.00 33.01 27.75 2ysq s GLN 68 CO 0.06 -1.22 -0.02 -1.83 -1.32 0.00 0.00 175.29 170.96 2ysq s GLU 69 N -0.27 0.17 -1.15 9.60 -1.05 -1.26 -5.08 118.70 119.66 2ysq s GLU 69 Ca 0.19 -0.26 -0.21 0.00 -0.15 0.00 0.00 54.97 54.54 2ysq s GLU 69 Cb -0.15 -0.02 0.03 0.00 -0.44 0.00 0.00 34.13 33.54 2ysq s GLU 69 CO -0.06 -0.00 1.70 0.34 0.95 0.00 0.00 175.26 178.19 2ysq s ASP 70 N -0.58 6.26 0.12 0.83 2.15 -1.26 -4.88 116.67 119.31 2ysq s ASP 70 Ca -0.06 -1.81 -0.22 0.00 0.43 0.00 0.00 52.55 50.89 2ysq s ASP 70 Cb -0.04 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.06 2ysq s ASP 70 CO -0.00 -1.75 0.55 -0.70 -0.17 0.00 0.00 175.17 173.10 2ysq s GLU 71 N 5.12 1.18 0.27 4.34 2.56 -1.26 -5.14 118.70 125.77 2ysq s GLU 71 Ca 0.55 -0.43 -0.17 0.00 0.00 0.00 0.00 54.97 54.93 2ysq s GLU 71 Cb 0.01 0.54 -0.12 0.00 2.00 0.00 0.00 34.13 36.55 2ysq s GLU 71 CO 0.02 -0.48 0.14 1.33 -0.56 0.00 0.00 175.26 175.71 2ysq n VAL 72 N -0.11 0.71 -2.43 3.70 0.24 -1.26 -4.94 118.33 114.23 2ysq n VAL 72 Ca -0.17 -0.38 -0.25 0.00 -2.04 0.00 0.00 64.34 61.50 2ysq n VAL 72 Cb 0.63 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 33.12 2ysq n VAL 72 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ysq s GLU 73 N -0.76 1.51 0.83 7.34 8.01 -1.26 -5.10 118.70 129.26 2ysq s GLU 73 Ca 0.46 -0.91 -0.11 0.00 0.01 0.00 0.00 54.97 54.41 2ysq s GLU 73 Cb -0.53 -2.22 0.19 0.00 -4.31 0.00 0.00 34.13 27.25 2ysq s GLU 73 CO 0.47 -1.62 1.13 0.39 0.01 0.00 0.00 175.26 175.64 2ysq n GLU 74 N -3.02 -0.89 0.00 1.61 -0.58 -1.26 -5.11 120.64 111.38 2ysq n GLU 74 Ca 0.14 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.87 2ysq n GLU 74 Cb 0.60 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 2ysq n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ysq n GLY 75 N -2.64 1.73 3.53 0.62 0.00 -1.26 -5.17 105.19 102.01 2ysq n GLY 75 Ca 0.15 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.57 0.88 -0.00 1.61 0.01 -1.26 -5.18 113.70 109.18 2ysq s SER 76 Ca 0.00 -1.48 -0.03 0.00 1.31 0.00 0.00 55.95 55.75 2ysq s SER 76 Cb 0.00 0.70 -0.00 0.00 0.21 0.00 0.00 66.02 66.93 2ysq s SER 76 CO 0.00 -1.38 0.05 -0.83 0.41 0.00 0.00 173.24 171.49 2ysq s GLY 77 N -3.23 0.08 0.24 3.44 0.00 -1.26 -5.17 107.32 101.43 2ysq s GLY 77 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 2ysq s GLY 77 CO 0.20 -0.26 0.21 -1.55 0.00 0.00 0.00 173.10 171.71 2ysq n PRO 78 N 2.08 -1.44 -4.36 2.90 -0.04 -1.26 -5.10 135.00 127.78 2ysq n PRO 78 Ca -0.19 -0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 62.72 2ysq n PRO 78 Cb 0.57 -0.32 -0.09 0.00 -0.04 0.00 0.00 33.50 33.62 2ysq n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ysq s SER 79 N -2.09 1.78 0.36 3.54 0.15 -1.26 -5.18 113.70 111.00 2ysq s SER 79 Ca 0.14 -1.62 0.04 0.00 0.70 0.00 0.00 55.95 55.21 2ysq s SER 79 Cb -0.01 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2ysq s SER 79 CO 0.11 -0.93 0.13 -0.44 1.20 0.00 0.00 173.24 173.31 2ysq s SER 80 N -3.42 2.23 0.00 5.45 0.01 -1.26 -5.38 113.70 111.33 2ysq s SER 80 Ca 0.34 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2ysq s SER 80 Cb 0.04 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2ysq s SER 80 CO 0.19 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.58