#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysq h SER 2 N 0.00 -1.40 -3.87 1.61 0.87 -2.10 -3.42 113.55 105.23 2ysq h SER 2 Ca 0.00 0.20 -0.47 0.00 -1.23 0.00 0.00 61.79 60.29 2ysq h SER 2 Cb 0.00 0.59 0.07 0.00 -0.44 0.00 0.00 62.40 62.63 2ysq h SER 2 CO 0.00 -0.40 0.25 -0.55 -0.53 0.00 0.00 176.83 175.60 2ysq s SER 3 N -4.98 5.10 -0.36 6.23 0.15 -1.26 -5.07 113.70 113.51 2ysq s SER 3 Ca -0.15 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2ysq s SER 3 Cb 0.10 -1.40 0.11 0.00 -1.71 0.00 0.00 66.02 63.13 2ysq s SER 3 CO 0.65 -1.43 0.15 -0.83 1.20 0.00 0.00 173.24 172.98 2ysq s GLY 4 N -4.44 1.40 0.29 9.45 0.00 -1.26 -5.12 107.32 107.64 2ysq s GLY 4 Ca 0.58 -2.13 0.07 0.00 0.00 0.00 0.00 44.72 43.24 2ysq s GLY 4 CO 0.46 1.51 0.30 -0.56 0.00 0.00 0.00 173.10 174.81 2ysq s SER 5 N 1.04 5.66 0.12 1.64 0.01 -1.26 -5.04 113.70 115.87 2ysq s SER 5 Ca 0.13 -0.26 -0.24 0.00 1.31 0.00 0.00 55.95 56.88 2ysq s SER 5 Cb -0.20 -1.32 -0.14 0.00 0.21 0.00 0.00 66.02 64.57 2ysq s SER 5 CO -0.13 -0.20 0.52 -0.24 0.41 0.00 0.00 173.24 173.59 2ysq n SER 6 N -1.35 -0.74 0.00 2.44 2.88 -1.26 -4.96 113.62 110.63 2ysq n SER 6 Ca -0.05 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2ysq n SER 6 Cb 0.58 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 1.48 3.95 3.83 0.46 0.00 -1.26 -5.12 105.19 108.53 2ysq n GLY 7 Ca 0.15 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2ysq n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ysq s ASP 8 N 0.30 6.95 0.12 1.61 -4.77 -1.26 -5.04 116.67 114.57 2ysq s ASP 8 Ca 0.00 1.22 -0.30 0.00 -3.30 0.00 0.00 52.55 50.17 2ysq s ASP 8 Cb 0.00 -2.34 -0.07 0.00 -1.09 0.00 0.00 42.92 39.42 2ysq s ASP 8 CO 0.00 0.11 1.13 -0.94 0.70 0.00 0.00 175.17 176.17 2ysq s SER 9 N -1.59 7.20 -0.35 2.11 1.04 -1.26 -5.00 113.70 115.85 2ysq s SER 9 Ca 0.38 2.03 -0.20 0.00 0.48 0.00 0.00 55.95 58.64 2ysq s SER 9 Cb -0.16 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.36 2ysq s SER 9 CO 0.20 -0.32 0.61 -0.63 0.98 0.00 0.00 173.24 174.08 2ysq s ILE 10 N 0.35 4.92 0.09 -1.02 1.01 -1.26 -4.94 121.20 120.34 2ysq s ILE 10 Ca 0.53 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.81 2ysq s ILE 10 Cb -0.29 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2ysq s ILE 10 CO 0.32 -0.26 0.06 -0.69 0.00 0.00 0.00 174.94 174.37 2ysq s VAL 11 N 2.63 4.41 -0.09 2.92 1.01 -1.24 -5.00 120.40 125.04 2ysq s VAL 11 Ca 0.23 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2ysq s VAL 11 Cb -0.15 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2ysq s VAL 11 CO 0.14 0.11 -0.14 -0.44 0.00 0.00 0.00 175.10 174.77 2ysq s SER 12 N -2.41 3.94 0.11 3.32 0.01 -1.26 -1.39 113.70 116.02 2ysq s SER 12 Ca 0.29 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.35 2ysq s SER 12 Cb -0.12 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 2ysq s SER 12 CO 0.21 0.24 -0.23 0.00 0.41 0.00 0.00 173.24 173.86 2ysq s ALA 13 N -0.08 2.48 -0.25 1.44 0.00 -0.98 -1.01 121.76 123.35 2ysq s ALA 13 Ca -0.02 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 2ysq s ALA 13 Cb -0.14 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2ysq s ALA 13 CO 0.04 0.56 -0.01 -2.00 0.00 0.00 0.00 175.76 174.35 2ysq s GLU 14 N -1.96 3.15 -0.36 0.00 2.12 -0.40 -2.22 118.70 119.03 2ysq s GLU 14 Ca 0.15 -0.79 -0.28 0.00 0.36 0.00 0.00 54.97 54.41 2ysq s GLU 14 Cb -0.10 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.10 2ysq s GLU 14 CO 0.07 -0.33 2.32 0.00 -0.54 0.00 0.00 175.26 176.78 2ysq n ALA 15 N 4.79 1.29 0.05 6.30 0.00 -0.97 -2.37 120.51 129.59 2ysq n ALA 15 Ca -0.16 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 2ysq n ALA 15 Cb 0.49 -3.01 -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 -0.39 0.00 0.00 0.00 177.50 177.11 2ysq h VAL 16 N 7.41 0.91 -3.68 0.00 -1.51 -1.91 -0.95 116.25 116.52 2ysq h VAL 16 Ca -0.32 -2.57 -0.62 0.00 -1.23 0.00 0.00 66.70 61.96 2ysq h VAL 16 Cb 1.26 2.67 -0.38 0.00 -2.13 0.00 0.00 31.29 32.71 2ysq h VAL 16 CO 1.06 0.83 -0.79 0.26 -1.23 0.00 0.00 177.57 177.70 2ysq s TRP 17 N -2.59 2.60 0.01 5.19 0.52 -1.26 -4.69 118.94 118.72 2ysq s TRP 17 Ca -0.15 -1.90 -0.30 0.00 0.02 0.00 0.00 56.10 53.78 2ysq s TRP 17 Cb 0.06 -1.67 -0.15 0.00 -1.15 0.00 0.00 33.47 30.56 2ysq s TRP 17 CO 0.83 -0.80 0.80 -0.40 0.02 0.00 0.00 176.95 177.40 2ysq n ASP 18 N 4.62 -0.09 -3.93 2.95 5.75 -1.26 -4.79 116.55 119.80 2ysq n ASP 18 Ca -0.12 0.90 -0.39 0.00 -0.01 0.00 0.00 54.79 55.17 2ysq n ASP 18 Cb 0.44 -0.72 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 2ysq n ASP 18 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2ysq n HIS 19 N 1.06 3.12 -2.15 2.11 -0.00 -1.14 -4.94 115.22 113.29 2ysq n HIS 19 Ca 0.15 -3.26 -0.39 0.00 0.46 0.00 0.00 57.72 54.69 2ysq n HIS 19 Cb 0.07 -1.14 -0.03 0.00 -0.12 0.00 0.00 29.99 28.78 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 -2.40 3.43 0.01 3.57 -7.23 -1.26 -4.38 120.40 112.15 2ysq s VAL 20 Ca 0.33 0.25 -0.05 0.00 -1.81 0.00 0.00 61.98 60.70 2ysq s VAL 20 Cb 0.04 -4.15 -0.05 0.00 0.56 0.00 0.00 36.38 32.79 2ysq s VAL 20 CO 0.03 -1.11 0.25 0.28 -0.31 0.00 0.00 175.10 174.24 2ysq s THR 21 N 8.35 5.34 -0.17 5.32 -1.32 -1.26 -5.01 115.64 126.89 2ysq s THR 21 Ca 0.60 0.03 0.16 0.00 -1.21 0.00 0.00 61.69 61.27 2ysq s THR 21 Cb -0.12 -3.56 -0.24 0.00 -1.51 0.00 0.00 72.50 67.06 2ysq s THR 21 CO 0.20 0.32 0.20 0.23 -2.21 0.00 0.00 174.62 173.35 2ysq n MET 22 N 0.94 0.68 -0.91 7.08 2.81 -1.26 -4.98 117.12 121.49 2ysq n MET 22 Ca -0.10 0.06 -0.36 0.00 -1.81 0.00 0.00 57.70 55.49 2ysq n MET 22 Cb 0.53 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.53 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysq n ALA 23 N -2.72 -4.95 -0.94 3.04 0.00 -1.26 -4.83 120.51 108.86 2ysq n ALA 23 Ca -0.30 -1.05 -0.35 0.00 0.00 0.00 0.00 53.44 51.74 2ysq n ALA 23 Cb 1.13 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 1.81 -4.65 -3.26 0.00 4.13 -1.26 -4.31 115.26 107.72 2ysq n ASN 24 Ca -0.00 0.18 -0.27 0.00 1.68 0.00 0.00 54.58 56.17 2ysq n ASN 24 Cb 0.64 -0.84 -0.12 0.00 -1.54 0.00 0.00 39.78 37.91 2ysq n ASN 24 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2ysq n ARG 25 N 1.33 0.00 -4.40 3.52 1.85 -1.26 -4.85 116.66 112.85 2ysq n ARG 25 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.65 2ysq n ARG 25 Cb 0.58 -1.00 -0.10 0.00 -1.05 0.00 0.00 32.46 30.89 2ysq n ARG 25 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2ysq s GLU 26 N 6.18 1.47 -0.51 2.89 2.56 -1.26 -5.06 118.70 124.97 2ysq s GLU 26 Ca 0.98 -1.68 -0.32 0.00 0.00 0.00 0.00 54.97 53.94 2ysq s GLU 26 Cb -0.84 -1.29 -0.12 0.00 2.00 0.00 0.00 34.13 33.87 2ysq s GLU 26 CO 0.37 0.18 2.35 -0.11 -0.56 0.00 0.00 175.26 177.49 2ysq n LEU 27 N -0.49 1.81 -4.48 2.70 7.94 -1.26 -4.92 117.00 118.29 2ysq n LEU 27 Ca -0.07 0.13 -0.32 0.00 -1.11 0.00 0.00 56.01 54.65 2ysq n LEU 27 Cb 0.61 -1.27 -0.12 0.00 0.53 0.00 0.00 43.42 43.16 2ysq n LEU 27 CO 0.37 -0.94 -0.46 0.00 -1.11 0.00 0.00 177.39 175.24 2ysq s ALA 28 N 8.89 2.68 0.26 1.96 0.00 -1.26 -4.78 121.76 129.51 2ysq s ALA 28 Ca 1.12 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 2ysq s ALA 28 Cb -0.77 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 2ysq s ALA 28 CO 0.43 0.58 0.48 -0.59 0.00 0.00 0.00 175.76 176.65 2ysq s PHE 29 N -0.88 0.43 0.14 0.00 -0.71 -1.26 -5.01 117.98 110.69 2ysq s PHE 29 Ca 0.14 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.31 2ysq s PHE 29 Cb -0.11 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2ysq s PHE 29 CO 0.04 -1.01 -0.16 0.15 -1.34 0.00 0.00 175.22 172.91 2ysq s LYS 30 N -3.91 1.12 -0.51 1.99 1.02 -1.26 -2.89 119.74 115.30 2ysq s LYS 30 Ca 0.23 -1.31 -0.39 0.00 0.02 0.00 0.00 55.97 54.52 2ysq s LYS 30 Cb -0.01 -1.06 -0.17 0.00 -0.52 0.00 0.00 37.83 36.08 2ysq s LYS 30 CO 0.10 0.21 2.23 0.00 -0.92 0.00 0.00 175.35 176.97 2ysq n ALA 31 N 0.41 0.52 0.00 5.17 0.00 -1.26 -0.77 120.51 124.58 2ysq n ALA 31 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2ysq n ALA 31 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 7.03 1.76 3.77 0.00 0.00 -0.36 -4.98 105.19 112.40 2ysq n GLY 32 Ca 0.51 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 6.21 -0.16 1.61 1.01 0.05 -4.79 116.67 120.22 2ysq s ASP 33 Ca 0.00 2.66 -0.06 0.00 0.71 0.00 0.00 52.55 55.86 2ysq s ASP 33 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2ysq s ASP 33 CO 0.00 -0.92 0.04 -0.69 0.21 0.00 0.00 175.17 173.81 2ysq s VAL 34 N -1.28 4.59 0.07 -1.27 1.01 -1.26 -2.29 120.40 119.98 2ysq s VAL 34 Ca 0.58 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.53 2ysq s VAL 34 Cb -0.38 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2ysq s VAL 34 CO 0.49 0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 175.28 2ysq s ILE 35 N 0.12 2.89 -0.39 2.22 1.01 -0.94 -4.75 121.20 121.36 2ysq s ILE 35 Ca 0.04 -1.28 -0.08 0.00 0.00 0.00 0.00 60.65 59.32 2ysq s ILE 35 Cb -0.13 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.14 2ysq s ILE 35 CO 0.01 0.24 0.20 -0.75 0.00 0.00 0.00 174.94 174.64 2ysq s LYS 36 N -1.74 2.58 -0.15 2.79 2.20 -0.52 -2.33 119.74 122.58 2ysq s LYS 36 Ca 0.16 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.12 2ysq s LYS 36 Cb -0.11 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 2ysq s LYS 36 CO 0.08 -0.85 1.63 0.08 -0.36 0.00 0.00 175.35 175.92 2ysq s VAL 37 N 1.41 3.67 -0.21 4.02 1.01 -0.49 -0.78 120.40 129.03 2ysq s VAL 37 Ca 0.02 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 2ysq s VAL 37 Cb -0.22 -3.60 -0.17 0.00 0.00 0.00 0.00 36.38 32.40 2ysq s VAL 37 CO 0.02 -0.18 0.11 0.18 0.00 0.00 0.00 175.10 175.23 2ysq n LEU 38 N 7.88 1.87 -3.87 3.92 4.77 -1.05 -3.70 117.00 126.82 2ysq n LEU 38 Ca 0.18 0.43 -0.30 0.00 -0.03 0.00 0.00 56.01 56.29 2ysq n LEU 38 Cb 0.44 -0.94 -0.15 0.00 -2.33 0.00 0.00 43.42 40.44 2ysq n LEU 38 CO 0.63 0.25 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.96 2ysq s ASP 39 N -6.84 4.07 -0.21 -1.43 2.15 -1.26 -4.91 116.67 108.24 2ysq s ASP 39 Ca -0.29 -1.55 -0.03 0.00 0.43 0.00 0.00 52.55 51.10 2ysq s ASP 39 Cb 0.07 -1.13 -0.03 0.00 -0.30 0.00 0.00 42.92 41.53 2ysq s ASP 39 CO 0.55 -0.34 2.81 0.00 -0.17 0.00 0.00 175.17 178.01 2ysq n ALA 40 N 4.67 5.83 -0.24 3.66 0.00 -1.26 -3.33 120.51 129.83 2ysq n ALA 40 Ca -0.04 -1.95 -0.06 0.00 0.00 0.00 0.00 53.44 51.39 2ysq n ALA 40 Cb 0.43 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 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 1.41 -0.62 -3.61 0.00 2.88 -1.26 -4.70 113.62 107.72 2ysq n SER 41 Ca 0.36 1.19 -0.11 0.00 -1.33 0.00 0.00 58.87 58.99 2ysq n SER 41 Cb 0.67 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 2ysq n SER 41 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2ysq s ASN 42 N -4.86 -0.29 0.00 -3.46 -0.87 -1.24 -5.01 114.94 99.21 2ysq s ASN 42 Ca -0.07 -0.28 0.05 0.00 -1.57 0.00 0.00 52.86 50.98 2ysq s ASN 42 Cb 0.06 0.50 0.22 0.00 -0.02 0.00 0.00 41.25 42.02 2ysq s ASN 42 CO 0.36 -0.89 1.06 0.29 -2.57 0.00 0.00 177.10 175.35 2ysq n LYS 43 N -0.26 0.04 -0.04 -0.60 5.02 -1.26 -2.14 118.16 118.92 2ysq n LYS 43 Ca -0.16 0.32 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 2ysq n LYS 43 Cb 0.64 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ysq h ASP 44 N 0.00 0.16 -3.29 4.39 3.32 -1.96 -3.37 116.42 115.67 2ysq h ASP 44 Ca 0.00 -0.89 -0.51 0.00 0.02 0.00 0.00 57.03 55.65 2ysq h ASP 44 Cb 0.06 -0.05 -0.39 0.00 0.22 0.00 0.00 39.33 39.16 2ysq h ASP 44 CO 0.00 1.25 -0.77 0.26 -1.72 0.00 0.00 179.24 178.26 2ysq s TRP 45 N -2.33 1.08 -0.08 4.55 0.23 -0.91 -4.65 118.94 116.84 2ysq s TRP 45 Ca -0.19 -0.80 0.04 0.00 -2.03 0.00 0.00 56.10 53.12 2ysq s TRP 45 Cb 0.00 -1.04 -0.00 0.00 0.03 0.00 0.00 33.47 32.46 2ysq s TRP 45 CO 0.72 -0.57 -0.22 -1.58 0.96 0.00 0.00 176.95 176.26 2ysq s TRP 46 N 1.84 2.28 0.03 -1.98 0.52 -1.19 -3.70 118.94 116.74 2ysq s TRP 46 Ca 0.00 -0.84 -0.26 0.00 0.02 0.00 0.00 56.10 55.02 2ysq s TRP 46 Cb -0.16 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 2ysq s TRP 46 CO -0.07 -0.32 0.82 -0.46 0.02 0.00 0.00 176.95 176.93 2ysq s TRP 47 N 0.24 3.72 0.09 -1.98 -0.11 -1.21 -0.90 118.94 118.78 2ysq s TRP 47 Ca -0.13 1.53 0.09 0.00 1.22 0.00 0.00 56.10 58.81 2ysq s TRP 47 Cb -0.16 -2.90 -0.04 0.00 -1.50 0.00 0.00 33.47 28.87 2ysq s TRP 47 CO 0.06 0.19 -0.22 0.20 -4.62 0.00 0.00 176.95 172.57 2ysq s GLY 48 N 0.24 1.58 -0.22 5.86 0.00 -0.33 -2.54 107.32 111.91 2ysq s GLY 48 Ca 0.42 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2ysq s GLY 48 CO 0.24 -1.27 -0.14 1.62 0.00 0.00 0.00 173.10 173.56 2ysq s GLN 49 N -1.78 2.43 0.17 2.90 0.74 0.04 -2.82 119.66 121.35 2ysq s GLN 49 Ca 0.15 -1.03 0.07 0.00 0.05 0.00 0.00 55.36 54.60 2ysq s GLN 49 Cb -0.10 -2.65 -0.04 0.00 1.10 0.00 0.00 33.01 31.32 2ysq s GLN 49 CO 0.06 -0.41 0.01 0.42 -0.55 0.00 0.00 175.29 174.82 2ysq s ILE 50 N 1.25 3.76 0.12 -2.34 1.01 0.75 -1.44 121.20 124.31 2ysq s ILE 50 Ca -0.02 -1.41 -0.16 0.00 0.00 0.00 0.00 60.65 59.06 2ysq s ILE 50 Cb -0.17 -2.90 0.05 0.00 0.01 0.00 0.00 42.46 39.46 2ysq s ILE 50 CO -0.09 -0.11 0.98 0.47 0.00 0.00 0.00 174.94 176.19 2ysq n ASP 51 N -0.14 -0.55 -0.04 3.58 9.92 -1.26 -3.28 116.55 124.78 2ysq n ASP 51 Ca -0.10 1.12 -0.06 0.00 -0.53 0.00 0.00 54.79 55.23 2ysq n ASP 51 Cb 0.55 -0.20 -0.04 0.00 -0.64 0.00 0.00 41.12 40.79 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 -4.86 3.07 -4.78 -2.24 2.03 -1.26 -5.03 116.55 103.47 2ysq n ASP 52 Ca 0.04 -0.03 -0.36 0.00 0.52 0.00 0.00 54.79 54.96 2ysq n ASP 52 Cb 0.21 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ysq s GLU 53 N -2.17 3.91 -0.26 -0.67 0.41 -1.20 -5.05 118.70 113.66 2ysq s GLU 53 Ca -0.11 1.55 -0.12 0.00 -0.41 0.00 0.00 54.97 55.88 2ysq s GLU 53 Cb 0.03 -2.36 0.09 0.00 -1.78 0.00 0.00 34.13 30.12 2ysq s GLU 53 CO 0.19 -0.37 0.59 -1.21 -0.49 0.00 0.00 175.26 173.97 2ysq s GLU 54 N -2.79 0.56 0.00 1.61 2.02 -1.26 -0.18 118.70 118.67 2ysq s GLU 54 Ca 0.63 1.20 0.00 0.00 0.02 0.00 0.00 54.97 56.82 2ysq s GLU 54 Cb -0.23 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.36 2ysq s GLU 54 CO 0.28 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2ysq n GLY 55 N 4.80 -0.71 3.88 -1.39 0.00 -1.13 -4.59 105.19 106.05 2ysq n GLY 55 Ca -0.17 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 3.60 0.06 1.61 0.51 -1.26 -1.19 118.94 118.27 2ysq s TRP 56 Ca 0.00 0.54 0.02 0.00 -2.12 0.00 0.00 56.10 54.54 2ysq s TRP 56 Cb 0.00 -1.95 -0.03 0.00 -0.81 0.00 0.00 33.47 30.68 2ysq s TRP 56 CO 0.00 0.74 -0.08 -0.59 -0.51 0.00 0.00 176.95 176.50 2ysq s PHE 57 N -1.02 0.78 0.13 -1.98 -0.12 -0.07 -3.98 117.98 111.71 2ysq s PHE 57 Ca 0.15 -0.60 -0.31 0.00 -0.05 0.00 0.00 56.93 56.13 2ysq s PHE 57 Cb -0.12 -0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 41.73 2ysq s PHE 57 CO 0.04 -0.08 1.35 -1.25 -0.05 0.00 0.00 175.22 175.22 2ysq s PRO 58 N -2.15 4.35 0.00 1.99 0.04 -1.26 -3.17 135.00 134.80 2ysq s PRO 58 Ca -0.04 2.04 0.29 0.00 0.04 0.00 0.00 61.00 63.33 2ysq s PRO 58 Cb -0.06 -3.24 1.31 0.00 0.04 0.00 0.00 34.50 32.55 2ysq s PRO 58 CO -0.01 -0.36 1.90 0.00 0.04 0.00 0.00 177.00 178.57 2ysq n ALA 59 N 3.55 2.71 0.42 8.56 0.00 -1.26 -3.40 120.51 131.09 2ysq n ALA 59 Ca 0.10 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.32 2ysq n ALA 59 Cb 0.43 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 2ysq n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ysq n SER 60 N -0.62 0.68 -2.12 0.00 7.64 -1.26 -4.37 113.62 113.58 2ysq n SER 60 Ca 0.18 -0.45 -0.28 0.00 1.01 0.00 0.00 58.87 59.33 2ysq n SER 60 Cb 0.26 1.48 0.09 0.00 -1.01 0.00 0.00 64.21 65.03 2ysq n SER 60 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2ysq n PHE 61 N -1.84 2.87 -3.58 1.43 3.01 -1.22 -4.96 117.46 113.17 2ysq n PHE 61 Ca -0.00 -2.55 -0.15 0.00 1.01 0.00 0.00 57.45 55.76 2ysq n PHE 61 Cb 0.41 -1.02 -0.06 0.00 -0.01 0.00 0.00 39.48 38.81 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 -4.44 0.03 -0.21 -4.37 -7.23 -1.26 -4.13 120.40 98.79 2ysq s VAL 62 Ca 0.58 -0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.48 2ysq s VAL 62 Cb 0.47 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 2ysq s VAL 62 CO 0.02 -0.12 0.02 -0.13 -0.31 0.00 0.00 175.10 174.58 2ysq s ARG 63 N -2.10 3.67 0.77 4.82 1.81 -1.00 -4.91 118.95 122.01 2ysq s ARG 63 Ca -0.07 -0.49 -0.14 0.00 -1.72 0.00 0.00 55.73 53.31 2ysq s ARG 63 Cb -0.01 -3.15 0.06 0.00 -0.45 0.00 0.00 34.95 31.40 2ysq s ARG 63 CO 0.01 0.00 1.20 -0.51 -0.68 0.00 0.00 175.30 175.33 2ysq s LEU 64 N 1.06 3.22 -0.10 2.53 1.43 -1.26 -1.27 118.68 124.28 2ysq s LEU 64 Ca 0.03 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 2ysq s LEU 64 Cb -0.14 -4.59 0.24 0.00 0.03 0.00 0.00 46.19 41.72 2ysq s LEU 64 CO 0.02 -2.47 1.06 0.79 0.23 0.00 0.00 176.35 175.98 2ysq n TRP 65 N -3.04 0.78 -4.52 0.29 7.02 -0.18 -4.82 117.44 112.97 2ysq n TRP 65 Ca 0.13 -0.52 -0.22 0.00 -1.02 0.00 0.00 57.50 55.87 2ysq n TRP 65 Cb 0.50 -0.33 -0.14 0.00 -2.42 0.00 0.00 31.31 28.92 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 -1.32 1.22 0.54 -0.99 1.01 -1.26 -4.99 120.40 114.61 2ysq s VAL 66 Ca 0.17 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 2ysq s VAL 66 Cb 0.14 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2ysq s VAL 66 CO 0.04 0.15 1.26 0.21 0.00 0.00 0.00 175.10 176.76 2ysq s ASN 67 N -0.87 5.50 0.14 3.32 2.47 -1.26 -5.04 114.94 119.20 2ysq s ASN 67 Ca 0.04 2.52 -0.02 0.00 0.42 0.00 0.00 52.86 55.82 2ysq s ASN 67 Cb -0.07 -2.62 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 2ysq s ASN 67 CO 0.01 -1.39 0.10 -1.10 -3.72 0.00 0.00 177.10 170.99 2ysq s GLN 68 N -2.97 0.99 -0.05 0.43 -0.21 -1.26 -5.13 119.66 111.46 2ysq s GLN 68 Ca 0.71 -1.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.37 2ysq s GLN 68 Cb -0.34 0.26 -0.04 0.00 1.00 0.00 0.00 33.01 33.90 2ysq s GLN 68 CO 0.39 -0.30 1.33 -2.00 -2.12 0.00 0.00 175.29 172.59 2ysq s GLU 69 N -4.05 4.29 -0.08 2.91 2.12 -1.26 -5.00 118.70 117.62 2ysq s GLU 69 Ca 0.25 1.83 -0.18 0.00 0.36 0.00 0.00 54.97 57.22 2ysq s GLU 69 Cb 0.07 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 2ysq s GLU 69 CO 0.03 -0.58 0.49 0.16 -0.54 0.00 0.00 175.26 174.82 2ysq s ASP 70 N 1.87 6.75 1.03 -1.70 -4.77 -1.26 -5.08 116.67 113.50 2ysq s ASP 70 Ca 0.60 0.89 -0.16 0.00 -3.30 0.00 0.00 52.55 50.58 2ysq s ASP 70 Cb -0.27 -2.29 0.22 0.00 -1.09 0.00 0.00 42.92 39.48 2ysq s ASP 70 CO 0.23 0.06 1.24 -0.62 0.70 0.00 0.00 175.17 176.78 2ysq n GLU 71 N 3.26 -1.46 -2.34 2.11 1.02 -1.26 -5.00 120.64 116.98 2ysq n GLU 71 Ca -0.08 -1.92 -0.41 0.00 -0.02 0.00 0.00 57.16 54.73 2ysq n GLU 71 Cb 0.52 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 2ysq n GLU 71 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ysq s VAL 72 N -3.66 3.48 0.45 2.62 1.01 -1.26 -5.04 120.40 118.00 2ysq s VAL 72 Ca 0.71 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.98 2ysq s VAL 72 Cb -0.02 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2ysq s VAL 72 CO 0.50 0.20 0.01 -1.83 0.00 0.00 0.00 175.10 173.98 2ysq s GLU 73 N -0.26 2.04 0.31 2.72 1.03 -1.26 -5.17 118.70 118.12 2ysq s GLU 73 Ca 0.53 -2.22 0.00 0.00 0.03 0.00 0.00 54.97 53.32 2ysq s GLU 73 Cb -0.34 -1.56 -0.02 0.00 -0.80 0.00 0.00 34.13 31.42 2ysq s GLU 73 CO 0.37 -0.18 0.35 -1.83 -1.33 0.00 0.00 175.26 172.64 2ysq s GLU 74 N -3.78 1.71 0.00 -4.83 4.04 -1.26 -5.18 118.70 109.40 2ysq s GLU 74 Ca 0.23 -1.78 0.00 0.00 0.04 0.00 0.00 54.97 53.46 2ysq s GLU 74 Cb 0.07 0.38 0.00 0.00 0.02 0.00 0.00 34.13 34.59 2ysq s GLU 74 CO 0.12 -0.66 0.00 0.41 -1.84 0.00 0.00 175.26 173.28 2ysq n GLY 75 N -0.52 1.19 3.83 -3.83 0.00 -1.26 -5.19 105.19 99.41 2ysq n GLY 75 Ca 0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -0.05 -0.39 1.61 0.01 -1.26 -5.14 113.70 108.48 2ysq s SER 76 Ca 0.00 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 56.52 2ysq s SER 76 Cb 0.00 0.59 0.20 0.00 0.21 0.00 0.00 66.02 67.02 2ysq s SER 76 CO 0.00 -1.16 0.94 -0.83 0.41 0.00 0.00 173.24 172.60 2ysq s GLY 77 N -3.19 -1.60 0.54 3.44 0.00 -1.26 -5.17 107.32 100.08 2ysq s GLY 77 Ca 0.18 0.45 -0.09 0.00 0.00 0.00 0.00 44.72 45.25 2ysq s GLY 77 CO 0.06 4.07 0.48 -1.55 0.00 0.00 0.00 173.10 176.16 2ysq n PRO 78 N 3.15 -1.95 -3.92 2.90 -0.04 -1.26 -5.10 135.00 128.78 2ysq n PRO 78 Ca 0.12 -0.76 -0.09 0.00 -0.04 0.00 0.00 63.50 62.72 2ysq n PRO 78 Cb 0.61 -0.71 -0.06 0.00 -0.04 0.00 0.00 33.50 33.30 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 -2.79 -0.06 0.34 3.54 0.15 -1.26 -5.18 113.70 108.43 2ysq s SER 79 Ca 0.31 -0.79 -0.17 0.00 0.70 0.00 0.00 55.95 55.99 2ysq s SER 79 Cb -0.03 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 2ysq s SER 79 CO 0.24 -0.99 0.81 -0.94 1.20 0.00 0.00 173.24 173.56 2ysq s SER 80 N -2.96 -0.04 0.00 5.45 1.04 -1.26 -5.38 113.70 110.55 2ysq s SER 80 Ca 0.17 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2ysq s SER 80 Cb 0.01 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.92 2ysq s SER 80 CO 0.01 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.29