#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 -0.38 0.65 1.61 0.01 -1.26 -5.17 113.70 109.17 2ysq s SER 2 Ca 0.00 0.68 -0.10 0.00 1.31 0.00 0.00 55.95 57.84 2ysq s SER 2 Cb 0.00 0.72 -0.00 0.00 0.21 0.00 0.00 66.02 66.94 2ysq s SER 2 CO 0.00 -0.19 1.03 -0.44 0.41 0.00 0.00 173.24 174.05 2ysq s SER 3 N -0.04 5.70 0.00 2.44 0.01 -1.26 -5.01 113.70 115.54 2ysq s SER 3 Ca -0.02 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2ysq s SER 3 Cb -0.03 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2ysq s SER 3 CO 0.01 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2ysq n GLY 4 N -2.83 0.00 3.76 3.44 0.00 -1.26 -5.10 105.19 103.20 2ysq n GLY 4 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2ysq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysq s SER 5 N -3.29 5.25 -0.13 1.61 0.01 -1.26 -5.07 113.70 110.81 2ysq s SER 5 Ca 0.00 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.86 2ysq s SER 5 Cb 0.00 -1.26 -0.06 0.00 0.21 0.00 0.00 66.02 64.91 2ysq s SER 5 CO 0.00 0.01 0.06 -1.28 0.41 0.00 0.00 173.24 172.44 2ysq h SER 6 N 1.96 0.00 0.00 2.44 0.87 -2.06 -3.49 113.55 113.27 2ysq h SER 6 Ca -0.47 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2ysq h SER 6 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2ysq h SER 6 CO 0.61 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 2ysq n GLY 7 N 1.67 -1.21 3.55 5.77 0.00 -1.26 -5.09 105.19 108.62 2ysq n GLY 7 Ca -0.07 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 5.81 1.29 1.61 -4.77 -1.26 -4.98 116.67 114.37 2ysq s ASP 8 Ca 0.00 -0.58 -0.18 0.00 -3.30 0.00 0.00 52.55 48.49 2ysq s ASP 8 Cb 0.00 -2.56 0.27 0.00 -1.09 0.00 0.00 42.92 39.55 2ysq s ASP 8 CO 0.00 -2.08 0.79 -1.20 0.70 0.00 0.00 175.17 173.38 2ysq n SER 9 N 11.07 -2.77 -4.72 2.11 7.64 -1.26 -4.99 113.62 120.71 2ysq n SER 9 Ca 0.23 -0.88 -0.37 0.00 1.01 0.00 0.00 58.87 58.87 2ysq n SER 9 Cb 0.50 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 2ysq n SER 9 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ysq s ILE 10 N -2.25 5.28 -0.14 0.44 1.09 -1.26 -5.08 121.20 119.28 2ysq s ILE 10 Ca 0.55 0.61 0.01 0.00 -1.10 0.00 0.00 60.65 60.72 2ysq s ILE 10 Cb -0.07 -3.66 -0.00 0.00 -1.06 0.00 0.00 42.46 37.66 2ysq s ILE 10 CO 0.44 0.36 -0.16 0.54 -0.10 0.00 0.00 174.94 176.02 2ysq s VAL 11 N 0.61 2.63 0.05 2.92 0.11 -1.26 -5.02 120.40 120.44 2ysq s VAL 11 Ca 0.18 -0.79 0.08 0.00 -2.93 0.00 0.00 61.98 58.52 2ysq s VAL 11 Cb -0.13 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2ysq s VAL 11 CO 0.05 0.52 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.67 2ysq s SER 12 N 0.67 2.77 -0.06 3.54 0.01 -1.26 -0.69 113.70 118.68 2ysq s SER 12 Ca -0.08 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 2ysq s SER 12 Cb -0.16 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2ysq s SER 12 CO 0.02 0.19 0.06 0.00 0.41 0.00 0.00 173.24 173.92 2ysq s ALA 13 N -0.85 3.51 -0.36 1.44 0.00 -0.52 -1.93 121.76 123.06 2ysq s ALA 13 Ca 0.09 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 2ysq s ALA 13 Cb -0.09 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.45 2ysq s ALA 13 CO 0.02 0.64 0.18 -2.00 0.00 0.00 0.00 175.76 174.60 2ysq s GLU 14 N -1.28 2.87 -0.39 0.00 2.56 -0.56 -2.50 118.70 119.41 2ysq s GLU 14 Ca 0.18 -1.04 -0.27 0.00 0.00 0.00 0.00 54.97 53.84 2ysq s GLU 14 Cb -0.12 -3.65 -0.07 0.00 2.00 0.00 0.00 34.13 32.30 2ysq s GLU 14 CO 0.08 -0.65 2.34 0.00 -0.56 0.00 0.00 175.26 176.47 2ysq n ALA 15 N 4.96 1.19 0.02 6.30 0.00 -1.18 -1.84 120.51 129.96 2ysq n ALA 15 Ca -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 52.69 2ysq n ALA 15 Cb 0.46 -3.07 -0.09 0.00 0.00 0.00 0.00 19.45 16.75 2ysq n ALA 15 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ysq n VAL 16 N 7.89 1.01 -4.55 0.00 0.24 -1.20 -0.14 118.33 121.58 2ysq n VAL 16 Ca 0.35 -0.67 -0.33 0.00 -2.04 0.00 0.00 64.34 61.65 2ysq n VAL 16 Cb 0.49 -0.59 -0.16 0.00 -1.47 0.00 0.00 33.84 32.12 2ysq n VAL 16 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2ysq s TRP 17 N -3.00 2.75 -0.18 6.34 0.52 -1.09 -4.86 118.94 119.43 2ysq s TRP 17 Ca -0.04 -1.14 -0.36 0.00 0.02 0.00 0.00 56.10 54.58 2ysq s TRP 17 Cb 0.09 -1.87 -0.13 0.00 -1.15 0.00 0.00 33.47 30.41 2ysq s TRP 17 CO 0.82 -0.52 1.86 -0.25 0.02 0.00 0.00 176.95 178.88 2ysq n ASP 18 N 4.09 2.99 -3.82 2.95 9.92 -1.26 -4.55 116.55 126.87 2ysq n ASP 18 Ca -0.19 0.97 -0.35 0.00 -0.53 0.00 0.00 54.79 54.69 2ysq n ASP 18 Cb 0.52 -1.28 -0.05 0.00 -0.64 0.00 0.00 41.12 39.67 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 6.43 3.38 -3.24 1.24 -0.00 -1.22 -4.94 115.22 116.87 2ysq n HIS 19 Ca 0.25 -3.65 -0.31 0.00 0.46 0.00 0.00 57.72 54.47 2ysq n HIS 19 Cb 0.23 -0.95 -0.05 0.00 -0.12 0.00 0.00 29.99 29.10 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 -2.26 4.86 -0.28 3.57 -7.23 -1.26 -2.89 120.40 114.92 2ysq s VAL 20 Ca 0.33 0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 60.86 2ysq s VAL 20 Cb 0.05 -3.65 0.09 0.00 0.56 0.00 0.00 36.38 33.43 2ysq s VAL 20 CO -0.01 -0.22 0.77 0.28 -0.31 0.00 0.00 175.10 175.61 2ysq s THR 21 N -2.00 0.00 0.25 5.32 -1.32 -1.26 -5.04 115.64 111.59 2ysq s THR 21 Ca 0.49 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.94 2ysq s THR 21 Cb -0.11 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.11 2ysq s THR 21 CO 0.23 0.00 1.82 -0.03 -2.21 0.00 0.00 174.62 174.43 2ysq h MET 22 N 6.40 0.82 -6.52 7.08 4.05 -1.98 -3.43 114.93 121.34 2ysq h MET 22 Ca -0.29 -0.05 -0.47 0.00 -0.28 0.00 0.00 59.70 58.61 2ysq h MET 22 Cb 1.21 -0.18 0.24 0.00 -0.80 0.00 0.00 31.60 32.07 2ysq h MET 22 CO 0.15 0.54 -1.44 0.00 0.23 0.00 0.00 176.91 176.39 2ysq n ALA 23 N -2.37 -4.51 -0.08 0.39 0.00 -1.26 -4.99 120.51 107.69 2ysq n ALA 23 Ca 0.14 -1.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.13 2ysq n ALA 23 Cb 0.28 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.50 1.41 0.13 0.00 3.02 -1.26 -4.71 115.26 113.36 2ysq n ASN 24 Ca 0.00 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 2ysq n ASN 24 Cb 0.65 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 2ysq n ASN 24 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2ysq h ARG 25 N -0.46 -0.37 -5.44 3.52 3.08 -1.95 -3.41 114.38 109.35 2ysq h ARG 25 Ca -0.38 0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.15 2ysq h ARG 25 Cb 1.38 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.46 2ysq h ARG 25 CO -0.21 -0.24 1.63 0.39 -1.07 0.00 0.00 179.97 180.46 2ysq n GLU 26 N -5.30 0.50 -1.35 0.04 4.71 -1.26 -4.69 120.64 113.28 2ysq n GLU 26 Ca -0.08 0.05 -0.53 0.00 -0.01 0.00 0.00 57.16 56.60 2ysq n GLU 26 Cb 0.22 -2.24 -0.12 0.00 -1.01 0.00 0.00 31.44 28.29 2ysq n GLU 26 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2ysq n LEU 27 N 11.71 0.78 -4.70 -4.62 7.94 -1.25 -4.90 117.00 121.96 2ysq n LEU 27 Ca 0.52 0.47 -0.33 0.00 -1.11 0.00 0.00 56.01 55.56 2ysq n LEU 27 Cb 0.21 -0.96 -0.09 0.00 0.53 0.00 0.00 43.42 43.12 2ysq n LEU 27 CO 0.84 -0.77 -0.31 0.00 -1.11 0.00 0.00 177.39 176.04 2ysq s ALA 28 N 7.20 3.33 0.32 1.96 0.00 -1.26 -4.76 121.76 128.55 2ysq s ALA 28 Ca 1.23 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 2ysq s ALA 28 Cb -1.33 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 20.40 2ysq s ALA 28 CO 0.58 0.64 0.54 1.97 0.00 0.00 0.00 175.76 179.49 2ysq n PHE 29 N 1.53 -1.71 -4.92 0.00 1.16 -1.14 -5.06 117.46 107.32 2ysq n PHE 29 Ca -0.15 -1.82 -0.27 0.00 -1.87 0.00 0.00 57.45 53.33 2ysq n PHE 29 Cb 0.53 0.62 -0.16 0.00 -1.61 0.00 0.00 39.48 38.86 2ysq n PHE 29 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2ysq s LYS 30 N -2.41 2.02 -0.46 3.97 1.02 -1.26 -3.39 119.74 119.23 2ysq s LYS 30 Ca 0.20 -0.66 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 2ysq s LYS 30 Cb -0.02 -1.71 -0.14 0.00 -0.52 0.00 0.00 37.83 35.44 2ysq s LYS 30 CO 0.14 0.24 1.62 0.00 -0.92 0.00 0.00 175.35 176.43 2ysq n ALA 31 N 3.21 0.17 0.00 5.17 0.00 -1.26 -0.97 120.51 126.83 2ysq n ALA 31 Ca -0.19 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2ysq n ALA 31 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 5.01 1.14 3.77 0.00 0.00 0.80 -4.97 105.19 110.94 2ysq n GLY 32 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.39 6.47 -0.15 1.61 1.01 -0.14 -4.72 116.67 120.37 2ysq s ASP 33 Ca 0.00 2.91 -0.16 0.00 0.71 0.00 0.00 52.55 56.01 2ysq s ASP 33 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2ysq s ASP 33 CO 0.00 -0.80 0.38 -0.69 0.21 0.00 0.00 175.17 174.27 2ysq s VAL 34 N -0.67 5.25 -0.17 -1.27 1.01 -1.26 -3.09 120.40 120.20 2ysq s VAL 34 Ca 0.56 0.74 0.01 0.00 0.00 0.00 0.00 61.98 63.28 2ysq s VAL 34 Cb -0.45 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2ysq s VAL 34 CO 0.55 0.35 -0.15 -0.63 0.00 0.00 0.00 175.10 175.21 2ysq s ILE 35 N 0.63 1.74 0.05 2.22 1.01 -1.04 -4.73 121.20 121.08 2ysq s ILE 35 Ca 0.21 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 2ysq s ILE 35 Cb -0.14 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 2ysq s ILE 35 CO 0.07 0.44 1.30 -0.54 0.00 0.00 0.00 174.94 176.20 2ysq s LYS 36 N 1.41 4.36 -0.67 2.79 1.02 -0.37 -1.44 119.74 126.85 2ysq s LYS 36 Ca 0.04 1.89 -0.18 0.00 0.02 0.00 0.00 55.97 57.74 2ysq s LYS 36 Cb -0.13 -3.39 0.12 0.00 -0.52 0.00 0.00 37.83 33.91 2ysq s LYS 36 CO -0.11 -0.40 0.76 0.08 -0.92 0.00 0.00 175.35 174.77 2ysq s VAL 37 N 1.48 4.93 0.35 3.17 1.01 0.13 0.12 120.40 131.58 2ysq s VAL 37 Ca 0.61 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2ysq s VAL 37 Cb -0.31 -4.52 0.27 0.00 0.00 0.00 0.00 36.38 31.81 2ysq s VAL 37 CO 0.28 -1.16 2.00 -0.07 0.00 0.00 0.00 175.10 176.15 2ysq h LEU 38 N 9.71 0.74 -6.35 3.92 3.38 -1.81 -3.40 115.31 121.49 2ysq h LEU 38 Ca -0.18 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 57.96 2ysq h LEU 38 Cb 1.07 -0.18 -0.24 0.00 0.09 0.00 0.00 40.66 41.41 2ysq h LEU 38 CO 1.05 0.53 0.20 -0.62 0.09 0.00 0.00 178.44 179.70 2ysq s ASP 39 N -6.41 -0.56 -0.33 -0.43 -1.08 -1.26 -5.03 116.67 101.57 2ysq s ASP 39 Ca -0.10 0.65 0.04 0.00 -0.52 0.00 0.00 52.55 52.62 2ysq s ASP 39 Cb 0.18 1.59 0.53 0.00 -1.46 0.00 0.00 42.92 43.76 2ysq s ASP 39 CO 0.77 -0.11 1.69 0.00 0.52 0.00 0.00 175.17 178.04 2ysq n ALA 40 N 5.07 4.78 0.06 3.66 0.00 -1.26 -4.07 120.51 128.74 2ysq n ALA 40 Ca -0.08 -2.17 -0.19 0.00 0.00 0.00 0.00 53.44 50.99 2ysq n ALA 40 Cb 0.53 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 1.03 0.82 -1.81 0.00 0.87 -1.96 -3.46 113.55 109.04 2ysq h SER 41 Ca 0.44 -0.68 -0.17 0.00 -1.23 0.00 0.00 61.79 60.16 2ysq h SER 41 Cb 2.38 -0.25 0.10 0.00 -0.44 0.00 0.00 62.40 64.19 2ysq h SER 41 CO 0.81 1.48 -0.08 0.59 -0.53 0.00 0.00 176.83 179.10 2ysq n ASN 42 N -3.81 -2.86 -3.06 6.23 4.13 -1.26 -4.97 115.26 109.65 2ysq n ASN 42 Ca -0.10 -0.41 -0.15 0.00 1.68 0.00 0.00 54.58 55.59 2ysq n ASN 42 Cb 0.89 -0.63 0.13 0.00 -1.54 0.00 0.00 39.78 38.64 2ysq n ASN 42 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ysq n LYS 43 N -1.99 -2.40 -0.37 3.52 5.02 -1.26 -4.75 118.16 115.94 2ysq n LYS 43 Ca 0.06 -0.87 0.31 0.00 -2.02 0.00 0.00 58.31 55.80 2ysq n LYS 43 Cb 0.28 -0.87 0.51 0.00 -0.02 0.00 0.00 35.03 34.93 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 -4.06 0.13 -4.52 4.39 8.00 -1.26 -3.56 116.55 115.67 2ysq n ASP 44 Ca 0.08 0.96 -0.43 0.00 0.71 0.00 0.00 54.79 56.11 2ysq n ASP 44 Cb 0.30 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 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 -4.73 3.08 0.34 1.24 0.52 -1.26 -3.68 118.94 114.46 2ysq s TRP 45 Ca -0.05 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.07 2ysq s TRP 45 Cb 0.22 -3.29 -0.02 0.00 -1.15 0.00 0.00 33.47 29.23 2ysq s TRP 45 CO 0.60 -0.84 0.36 -1.58 0.02 0.00 0.00 176.95 175.51 2ysq s TRP 46 N 2.74 2.95 -0.26 -1.98 0.51 -1.23 -4.76 118.94 116.90 2ysq s TRP 46 Ca 0.22 -0.30 -0.15 0.00 -2.12 0.00 0.00 56.10 53.75 2ysq s TRP 46 Cb -0.14 -1.90 -0.04 0.00 -0.81 0.00 0.00 33.47 30.57 2ysq s TRP 46 CO 0.18 0.08 0.35 -0.46 -0.51 0.00 0.00 176.95 176.60 2ysq s TRP 47 N -2.28 3.26 0.40 -1.98 -0.11 -1.26 -3.60 118.94 113.37 2ysq s TRP 47 Ca 0.43 0.40 0.08 0.00 1.22 0.00 0.00 56.10 58.23 2ysq s TRP 47 Cb -0.07 -2.54 -0.02 0.00 -1.50 0.00 0.00 33.47 29.34 2ysq s TRP 47 CO 0.28 -0.19 0.34 0.20 -4.62 0.00 0.00 176.95 172.96 2ysq s GLY 48 N 1.56 2.08 -0.14 5.86 0.00 -1.26 -3.10 107.32 112.32 2ysq s GLY 48 Ca 0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 2ysq s GLY 48 CO 0.10 -1.69 -0.04 1.62 0.00 0.00 0.00 173.10 173.08 2ysq s GLN 49 N -4.08 1.21 0.16 2.90 0.74 0.32 -4.36 119.66 116.56 2ysq s GLN 49 Ca 0.46 -0.32 0.04 0.00 0.05 0.00 0.00 55.36 55.59 2ysq s GLN 49 Cb -0.03 -1.72 -0.04 0.00 1.10 0.00 0.00 33.01 32.33 2ysq s GLN 49 CO 0.27 -0.39 0.18 0.42 -0.55 0.00 0.00 175.29 175.22 2ysq s ILE 50 N 1.74 4.73 0.07 -2.34 1.01 -0.20 -1.23 121.20 124.97 2ysq s ILE 50 Ca 0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 2ysq s ILE 50 Cb -0.14 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2ysq s ILE 50 CO -0.07 -0.10 0.84 0.47 0.00 0.00 0.00 174.94 176.07 2ysq n ASP 51 N -0.40 -0.45 -0.63 3.58 8.00 -1.26 -2.48 116.55 122.92 2ysq n ASP 51 Ca -0.08 0.94 0.05 0.00 0.71 0.00 0.00 54.79 56.41 2ysq n ASP 51 Cb 0.54 -0.19 0.08 0.00 -0.02 0.00 0.00 41.12 41.53 2ysq n ASP 51 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ysq n ASP 52 N -4.09 1.18 -4.21 -2.24 8.00 -1.26 -5.06 116.55 108.86 2ysq n ASP 52 Ca 0.01 -2.65 -0.20 0.00 0.71 0.00 0.00 54.79 52.66 2ysq n ASP 52 Cb 0.11 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.38 0.94 0.02 -1.24 0.41 -1.03 -5.16 118.70 111.25 2ysq s GLU 53 Ca 0.23 -1.07 -0.13 0.00 -0.41 0.00 0.00 54.97 53.59 2ysq s GLU 53 Cb 0.23 -0.97 0.02 0.00 -1.78 0.00 0.00 34.13 31.63 2ysq s GLU 53 CO -0.04 0.21 0.29 -1.21 -0.49 0.00 0.00 175.26 174.02 2ysq s GLU 54 N -1.99 0.74 0.00 1.61 8.01 -1.26 -1.03 118.70 124.77 2ysq s GLU 54 Ca 0.02 -0.41 0.00 0.00 0.01 0.00 0.00 54.97 54.59 2ysq s GLU 54 Cb -0.09 0.32 0.00 0.00 -4.31 0.00 0.00 34.13 30.05 2ysq s GLU 54 CO 0.03 -0.22 0.00 0.41 0.01 0.00 0.00 175.26 175.49 2ysq n GLY 55 N 0.85 -0.42 2.78 -1.39 0.00 -1.26 -4.60 105.19 101.15 2ysq n GLY 55 Ca -0.20 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.23 0.03 1.61 1.48 -1.26 -4.17 118.94 116.85 2ysq s TRP 56 Ca 0.00 0.06 0.06 0.00 -1.06 0.00 0.00 56.10 55.17 2ysq s TRP 56 Cb 0.00 -0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 31.87 2ysq s TRP 56 CO 0.00 -0.15 -0.17 -0.59 -4.06 0.00 0.00 176.95 171.99 2ysq s PHE 57 N 1.30 2.60 0.09 1.66 -0.71 -1.24 -3.79 117.98 117.89 2ysq s PHE 57 Ca -0.06 -0.23 -0.31 0.00 -1.04 0.00 0.00 56.93 55.29 2ysq s PHE 57 Cb -0.13 -1.49 -0.07 0.00 -1.21 0.00 0.00 43.02 40.12 2ysq s PHE 57 CO -0.03 0.25 1.37 -1.25 -1.34 0.00 0.00 175.22 174.23 2ysq s PRO 58 N -1.38 4.33 0.31 1.99 0.04 -1.26 -3.99 135.00 135.03 2ysq s PRO 58 Ca 0.15 2.03 0.19 0.00 0.04 0.00 0.00 61.00 63.41 2ysq s PRO 58 Cb -0.11 -3.30 0.13 0.00 0.04 0.00 0.00 34.50 31.26 2ysq s PRO 58 CO 0.05 -0.44 1.39 0.00 0.04 0.00 0.00 177.00 178.04 2ysq h ALA 59 N 6.95 0.77 -0.00 8.56 0.00 -1.90 -3.10 119.26 130.54 2ysq h ALA 59 Ca -0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2ysq h ALA 59 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ysq h ALA 59 CO 0.86 0.36 -0.15 0.45 0.00 0.00 0.00 179.25 180.77 2ysq n SER 60 N -3.08 0.42 -0.24 0.00 2.88 -1.26 -3.38 113.62 108.96 2ysq n SER 60 Ca 0.01 -0.37 0.05 0.00 -1.33 0.00 0.00 58.87 57.23 2ysq n SER 60 Cb 0.65 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -1.11 0.00 -4.77 0.66 3.01 -1.21 -4.99 117.46 109.05 2ysq n PHE 61 Ca 0.12 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.28 2ysq n PHE 61 Cb 0.30 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.35 2.13 -0.29 -4.37 -7.23 -1.18 -2.66 120.40 105.45 2ysq s VAL 62 Ca 0.09 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 2ysq s VAL 62 Cb 0.08 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2ysq s VAL 62 CO 0.25 0.29 0.18 -0.13 -0.31 0.00 0.00 175.10 175.39 2ysq s ARG 63 N -1.42 3.76 0.64 4.82 1.81 -0.77 -4.87 118.95 122.91 2ysq s ARG 63 Ca 0.12 -0.45 -0.17 0.00 -1.72 0.00 0.00 55.73 53.51 2ysq s ARG 63 Cb -0.10 -3.65 -0.04 0.00 -0.45 0.00 0.00 34.95 30.71 2ysq s ARG 63 CO 0.03 -0.26 0.84 1.28 -0.68 0.00 0.00 175.30 176.50 2ysq n LEU 64 N 5.05 2.88 0.02 2.53 7.99 -1.26 -1.49 117.00 132.71 2ysq n LEU 64 Ca -0.14 0.74 -0.08 0.00 -0.01 0.00 0.00 56.01 56.52 2ysq n LEU 64 Cb 0.51 -1.34 -0.06 0.00 -0.11 0.00 0.00 43.42 42.43 2ysq n LEU 64 CO 0.34 -2.25 0.24 -0.50 -1.51 0.00 0.00 177.39 173.71 2ysq h TRP 65 N 0.17 -0.15 -2.96 -1.77 4.06 -1.77 -3.45 115.95 110.09 2ysq h TRP 65 Ca -0.48 -0.00 -0.61 0.00 2.06 0.00 0.00 58.89 59.86 2ysq h TRP 65 Cb 1.36 0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 29.52 2ysq h TRP 65 CO 0.36 0.22 -0.37 0.54 -3.56 0.00 0.00 178.44 175.63 2ysq s VAL 66 N -2.59 5.26 0.10 1.49 0.11 -1.26 -5.02 120.40 118.50 2ysq s VAL 66 Ca -0.09 0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 58.86 2ysq s VAL 66 Cb -0.00 -3.59 -0.14 0.00 -1.53 0.00 0.00 36.38 31.12 2ysq s VAL 66 CO 0.33 0.30 0.56 -3.20 -3.33 0.00 0.00 175.10 169.76 2ysq n ASN 67 N 0.91 -0.64 -3.59 3.54 2.85 -1.26 -4.96 115.26 112.11 2ysq n ASN 67 Ca -0.09 0.90 -0.14 0.00 -0.11 0.00 0.00 54.58 55.13 2ysq n ASN 67 Cb 0.52 -0.74 -0.06 0.00 1.24 0.00 0.00 39.78 40.74 2ysq n ASN 67 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2ysq s GLN 68 N -0.51 0.84 -1.55 1.20 2.00 -1.26 -4.96 119.66 115.43 2ysq s GLN 68 Ca 0.58 0.58 -0.06 0.00 -2.00 0.00 0.00 55.36 54.45 2ysq s GLN 68 Cb -0.83 0.40 0.06 0.00 0.80 0.00 0.00 33.01 33.45 2ysq s GLN 68 CO 0.44 -0.19 0.44 0.39 -0.50 0.00 0.00 175.29 175.88 2ysq n GLU 69 N 1.76 -2.62 -2.18 1.67 -0.58 -1.26 -4.86 120.64 112.57 2ysq n GLU 69 Ca -0.15 0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 2ysq n GLU 69 Cb 0.56 -4.50 -0.03 0.00 -0.57 0.00 0.00 31.44 26.91 2ysq n GLU 69 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2ysq s ASP 70 N -4.02 6.84 -0.57 1.62 2.15 -1.26 -4.92 116.67 116.52 2ysq s ASP 70 Ca 0.25 2.40 -0.27 0.00 0.43 0.00 0.00 52.55 55.37 2ysq s ASP 70 Cb -0.14 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 2ysq s ASP 70 CO 0.93 -0.60 1.96 -1.61 -0.17 0.00 0.00 175.17 175.69 2ysq s GLU 71 N 0.35 2.58 0.23 4.34 2.02 -1.26 -4.95 118.70 122.01 2ysq s GLU 71 Ca 0.60 0.83 -0.30 0.00 0.02 0.00 0.00 54.97 56.12 2ysq s GLU 71 Cb -0.37 -4.41 -0.09 0.00 0.10 0.00 0.00 34.13 29.36 2ysq s GLU 71 CO 0.35 -2.77 1.07 0.08 0.02 0.00 0.00 175.26 174.02 2ysq s VAL 72 N 9.50 3.76 0.68 2.63 1.01 -1.26 -5.02 120.40 131.69 2ysq s VAL 72 Ca 0.74 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 64.24 2ysq s VAL 72 Cb -0.14 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2ysq s VAL 72 CO 0.23 0.35 1.10 -0.70 0.00 0.00 0.00 175.10 176.08 2ysq s GLU 73 N -0.95 2.74 -0.56 2.72 2.56 -1.26 -4.99 118.70 118.95 2ysq s GLU 73 Ca 0.46 1.30 -0.17 0.00 0.00 0.00 0.00 54.97 56.56 2ysq s GLU 73 Cb -0.30 -1.95 0.12 0.00 2.00 0.00 0.00 34.13 34.01 2ysq s GLU 73 CO 0.37 -1.29 0.57 -2.00 -0.56 0.00 0.00 175.26 172.35 2ysq s GLU 74 N -4.32 3.02 -0.46 4.30 2.12 -1.26 -4.98 118.70 117.13 2ysq s GLU 74 Ca 0.65 -1.61 0.03 0.00 0.36 0.00 0.00 54.97 54.39 2ysq s GLU 74 Cb -0.19 -4.30 0.15 0.00 0.26 0.00 0.00 34.13 30.06 2ysq s GLU 74 CO 0.45 -1.39 0.31 0.20 -0.54 0.00 0.00 175.26 174.28 2ysq s GLY 75 N 3.58 1.59 -0.09 -1.50 0.00 -1.26 -5.09 107.32 104.55 2ysq s GLY 75 Ca 0.06 -2.63 -0.28 0.00 0.00 0.00 0.00 44.72 41.87 2ysq s GLY 75 CO 0.04 1.75 0.64 -0.56 0.00 0.00 0.00 173.10 174.97 2ysq s SER 76 N 0.08 -0.62 0.03 1.64 0.01 -1.26 -5.17 113.70 108.41 2ysq s SER 76 Ca 0.24 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2ysq s SER 76 Cb -0.12 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2ysq s SER 76 CO -0.09 -0.52 0.14 -0.83 0.41 0.00 0.00 173.24 172.35 2ysq s GLY 77 N -0.91 2.10 -0.16 3.44 0.00 -1.26 -5.06 107.32 105.47 2ysq s GLY 77 Ca -0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2ysq s GLY 77 CO 0.08 -0.81 1.57 2.56 0.00 0.00 0.00 173.10 176.50 2ysq s PRO 78 N -2.17 3.98 0.07 2.90 0.04 -1.26 -4.93 135.00 133.64 2ysq s PRO 78 Ca 0.29 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2ysq s PRO 78 Cb -0.12 -3.98 -0.18 0.00 0.04 0.00 0.00 34.50 30.26 2ysq s PRO 78 CO 0.21 -1.06 1.61 1.03 0.04 0.00 0.00 177.00 178.83 2ysq h SER 79 N 9.94 -0.62 -0.80 6.66 0.87 -2.08 -3.43 113.55 124.09 2ysq h SER 79 Ca -0.34 0.01 -0.59 0.00 -1.23 0.00 0.00 61.79 59.64 2ysq h SER 79 Cb 1.15 0.16 0.06 0.00 -0.44 0.00 0.00 62.40 63.33 2ysq h SER 79 CO 0.98 -0.42 -0.18 -0.24 -0.53 0.00 0.00 176.83 176.45 2ysq n SER 80 N -5.39 -0.48 0.00 6.23 2.88 -1.26 -5.36 113.62 110.24 2ysq n SER 80 Ca -0.12 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2ysq n SER 80 Cb 0.31 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 2ysq n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42