#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 -0.31 0.17 1.61 0.15 -1.26 -5.18 113.70 108.88 2ysq s SER 2 Ca 0.00 0.45 -0.24 0.00 0.70 0.00 0.00 55.95 56.85 2ysq s SER 2 Cb 0.00 1.27 0.07 0.00 -1.71 0.00 0.00 66.02 65.65 2ysq s SER 2 CO 0.00 -0.07 0.97 -0.94 1.20 0.00 0.00 173.24 174.40 2ysq s SER 3 N 1.85 -0.14 0.06 5.45 1.04 -1.26 -5.19 113.70 115.52 2ysq s SER 3 Ca -0.04 -0.48 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 2ysq s SER 3 Cb -0.03 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2ysq s SER 3 CO -0.15 -0.94 0.23 -0.83 0.98 0.00 0.00 173.24 172.52 2ysq s GLY 4 N -3.02 0.01 -0.08 7.32 0.00 -1.26 -5.16 107.32 105.12 2ysq s GLY 4 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 2ysq s GLY 4 CO 0.03 -0.53 0.18 -1.35 0.00 0.00 0.00 173.10 171.44 2ysq s SER 5 N -2.40 -0.06 0.04 1.64 1.04 -1.26 -5.04 113.70 107.67 2ysq s SER 5 Ca -0.01 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2ysq s SER 5 Cb 0.01 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2ysq s SER 5 CO -0.07 -0.17 0.00 -1.20 0.98 0.00 0.00 173.24 172.79 2ysq n SER 6 N 4.37 0.30 0.00 7.02 7.64 -1.26 -5.12 113.62 126.57 2ysq n SER 6 Ca -0.23 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2ysq n SER 6 Cb 0.52 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2ysq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysq n GLY 7 N 2.91 1.45 3.12 0.23 0.00 -1.26 -5.18 105.19 106.46 2ysq n GLY 7 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.25 0.75 1.61 1.11 -1.26 -5.15 116.67 113.48 2ysq s ASP 8 Ca 0.00 0.48 -0.14 0.00 0.18 0.00 0.00 52.55 53.07 2ysq s ASP 8 Cb 0.00 0.49 0.05 0.00 1.07 0.00 0.00 42.92 44.53 2ysq s ASP 8 CO 0.00 -0.08 1.21 -0.44 1.18 0.00 0.00 175.17 177.04 2ysq s SER 9 N 0.15 4.00 -0.03 0.27 0.01 -1.26 -5.01 113.70 111.83 2ysq s SER 9 Ca -0.00 2.37 -0.03 0.00 1.31 0.00 0.00 55.95 59.60 2ysq s SER 9 Cb -0.02 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2ysq s SER 9 CO 0.00 -2.39 0.13 -0.63 0.41 0.00 0.00 173.24 170.76 2ysq s ILE 10 N -2.02 5.13 0.03 1.44 1.01 -1.26 -5.11 121.20 120.42 2ysq s ILE 10 Ca 0.74 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.28 2ysq s ILE 10 Cb -0.29 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2ysq s ILE 10 CO 0.47 0.41 -0.20 0.54 0.00 0.00 0.00 174.94 176.15 2ysq s VAL 11 N -1.20 2.59 0.04 2.92 0.11 -1.26 -5.08 120.40 118.52 2ysq s VAL 11 Ca 0.23 -1.18 0.09 0.00 -2.93 0.00 0.00 61.98 58.18 2ysq s VAL 11 Cb -0.12 -2.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2ysq s VAL 11 CO 0.13 0.39 -0.26 -0.55 -3.33 0.00 0.00 175.10 171.49 2ysq s SER 12 N -1.24 3.22 0.26 3.54 0.15 -1.26 -2.41 113.70 115.96 2ysq s SER 12 Ca 0.13 -0.57 0.09 0.00 0.70 0.00 0.00 55.95 56.30 2ysq s SER 12 Cb -0.10 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 2ysq s SER 12 CO 0.03 0.26 0.05 0.00 1.20 0.00 0.00 173.24 174.79 2ysq s ALA 13 N -0.81 3.28 -0.15 5.45 0.00 -0.89 -2.15 121.76 126.49 2ysq s ALA 13 Ca 0.12 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2ysq s ALA 13 Cb -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2ysq s ALA 13 CO 0.02 0.26 -0.18 -2.00 0.00 0.00 0.00 175.76 173.86 2ysq s GLU 14 N -3.72 3.14 -0.59 0.00 2.12 0.65 -2.86 118.70 117.43 2ysq s GLU 14 Ca 0.32 -0.79 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 2ysq s GLU 14 Cb -0.07 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 2ysq s GLU 14 CO 0.21 -0.01 1.77 0.00 -0.54 0.00 0.00 175.26 176.70 2ysq s ALA 15 N 0.84 2.33 -0.00 6.30 0.00 -1.16 -0.41 121.76 129.65 2ysq s ALA 15 Ca -0.05 -0.64 0.11 0.00 0.00 0.00 0.00 51.96 51.38 2ysq s ALA 15 Cb -0.15 -4.26 -0.21 0.00 0.00 0.00 0.00 23.12 18.50 2ysq s ALA 15 CO -0.01 -3.66 0.87 -0.39 0.00 0.00 0.00 175.76 172.57 2ysq h VAL 16 N 6.77 1.07 -3.32 0.00 -1.51 -1.92 0.25 116.25 117.59 2ysq h VAL 16 Ca -0.27 -2.85 -0.62 0.00 -1.23 0.00 0.00 66.70 61.73 2ysq h VAL 16 Cb 1.15 2.52 -0.36 0.00 -2.13 0.00 0.00 31.29 32.46 2ysq h VAL 16 CO 1.20 0.61 -0.82 0.26 -1.23 0.00 0.00 177.57 177.60 2ysq s TRP 17 N -2.66 2.42 -0.29 5.19 0.52 -1.26 -4.87 118.94 117.99 2ysq s TRP 17 Ca -0.03 -1.52 -0.38 0.00 0.02 0.00 0.00 56.10 54.19 2ysq s TRP 17 Cb 0.09 -1.67 -0.14 0.00 -1.15 0.00 0.00 33.47 30.60 2ysq s TRP 17 CO 0.82 -0.73 1.91 -0.40 0.02 0.00 0.00 176.95 178.56 2ysq n ASP 18 N 4.69 2.39 -4.23 2.95 5.75 -1.26 -4.65 116.55 122.20 2ysq n ASP 18 Ca -0.16 0.86 -0.43 0.00 -0.01 0.00 0.00 54.79 55.05 2ysq n ASP 18 Cb 0.48 -1.19 -0.01 0.00 -1.03 0.00 0.00 41.12 39.36 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 6.91 4.56 -2.18 2.11 -0.00 -0.98 -4.88 115.22 120.76 2ysq n HIS 19 Ca 0.31 -3.71 -0.32 0.00 0.46 0.00 0.00 57.72 54.46 2ysq n HIS 19 Cb 0.17 -1.52 -0.01 0.00 -0.12 0.00 0.00 29.99 28.51 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 -1.61 4.14 0.11 3.57 -7.23 -1.26 -3.46 120.40 114.65 2ysq s VAL 20 Ca 0.31 1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 61.23 2ysq s VAL 20 Cb -0.06 -3.54 0.07 0.00 0.56 0.00 0.00 36.38 33.41 2ysq s VAL 20 CO -0.05 -0.60 0.61 0.28 -0.31 0.00 0.00 175.10 175.03 2ysq s THR 21 N -2.55 0.00 -0.15 5.32 -1.32 -1.26 -5.03 115.64 110.65 2ysq s THR 21 Ca 0.61 -0.02 -0.13 0.00 -1.21 0.00 0.00 61.69 60.95 2ysq s THR 21 Cb -0.13 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.62 2ysq s THR 21 CO 0.35 -0.01 0.32 -0.03 -2.21 0.00 0.00 174.62 173.04 2ysq h MET 22 N 2.27 0.17 0.00 7.08 4.05 -1.99 -3.48 114.93 123.03 2ysq h MET 22 Ca -0.32 -0.29 -0.38 0.00 -0.28 0.00 0.00 59.70 58.43 2ysq h MET 22 Cb 1.27 0.11 0.20 0.00 -0.80 0.00 0.00 31.60 32.37 2ysq h MET 22 CO 0.38 1.14 -0.00 0.00 0.23 0.00 0.00 176.91 178.66 2ysq n ALA 23 N -3.16 -4.11 -0.05 0.39 0.00 -1.26 -5.02 120.51 107.29 2ysq n ALA 23 Ca -0.32 -1.57 -0.08 0.00 0.00 0.00 0.00 53.44 51.47 2ysq n ALA 23 Cb 0.90 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 -5.23 2.78 -0.26 0.00 3.02 -1.26 -4.73 115.26 109.57 2ysq n ASN 24 Ca 0.14 -0.03 -0.07 0.00 -0.03 0.00 0.00 54.58 54.60 2ysq n ASN 24 Cb 0.58 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 2ysq n ASN 24 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ysq n ARG 25 N -2.93 -0.28 -1.75 3.52 5.12 -1.26 -4.38 116.66 114.70 2ysq n ARG 25 Ca -0.20 1.08 -0.37 0.00 -1.93 0.00 0.00 57.85 56.44 2ysq n ARG 25 Cb 0.70 -1.60 0.07 0.00 -1.16 0.00 0.00 32.46 30.46 2ysq n ARG 25 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2ysq s GLU 26 N -4.96 2.57 -0.64 5.56 1.03 -1.26 -4.10 118.70 116.89 2ysq s GLU 26 Ca -0.08 2.02 -0.27 0.00 0.03 0.00 0.00 54.97 56.67 2ysq s GLU 26 Cb 0.07 -1.85 0.03 0.00 -0.80 0.00 0.00 34.13 31.58 2ysq s GLU 26 CO 0.39 -1.57 1.20 -1.17 -1.33 0.00 0.00 175.26 172.77 2ysq s LEU 27 N -4.39 3.43 0.04 1.83 0.20 0.14 -4.75 118.68 115.17 2ysq s LEU 27 Ca 0.82 -0.19 -0.24 0.00 0.69 0.00 0.00 54.13 55.20 2ysq s LEU 27 Cb -0.36 -2.88 -0.05 0.00 -0.43 0.00 0.00 46.19 42.47 2ysq s LEU 27 CO 0.39 -1.60 0.75 0.00 -0.29 0.00 0.00 176.35 175.60 2ysq s ALA 28 N 5.14 3.38 0.08 5.97 0.00 -1.26 -4.75 121.76 130.32 2ysq s ALA 28 Ca 0.38 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 2ysq s ALA 28 Cb -0.08 -2.97 0.08 0.00 0.00 0.00 0.00 23.12 20.14 2ysq s ALA 28 CO 0.20 0.07 0.66 -0.59 0.00 0.00 0.00 175.76 176.10 2ysq s PHE 29 N -0.03 -0.55 0.04 0.00 -0.71 -1.22 -4.96 117.98 110.55 2ysq s PHE 29 Ca 0.38 0.53 0.00 0.00 -1.04 0.00 0.00 56.93 56.80 2ysq s PHE 29 Cb -0.20 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 2ysq s PHE 29 CO 0.22 -0.74 0.14 0.15 -1.34 0.00 0.00 175.22 173.65 2ysq s LYS 30 N -2.95 3.20 -0.45 1.99 3.01 -1.26 -2.32 119.74 120.95 2ysq s LYS 30 Ca -0.02 -0.51 -0.45 0.00 -1.01 0.00 0.00 55.97 53.99 2ysq s LYS 30 Cb -0.01 -2.92 -0.19 0.00 -1.01 0.00 0.00 37.83 33.71 2ysq s LYS 30 CO -0.06 0.61 1.69 0.00 0.51 0.00 0.00 175.35 178.10 2ysq n ALA 31 N 0.61 -0.93 0.00 5.17 0.00 -1.26 -1.41 120.51 122.69 2ysq n ALA 31 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2ysq n ALA 31 Cb 0.52 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 4.36 2.34 3.68 0.00 0.00 0.89 -4.95 105.19 111.51 2ysq n GLY 32 Ca 0.32 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 45.18 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 2.89 -4.66 1.61 9.92 -0.50 -4.58 116.55 121.23 2ysq n ASP 33 Ca 0.00 1.13 -0.39 0.00 -0.53 0.00 0.00 54.79 55.01 2ysq n ASP 33 Cb 0.00 -1.44 -0.07 0.00 -0.64 0.00 0.00 41.12 38.97 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 0.09 5.14 -0.18 2.53 1.01 -1.26 -3.00 120.40 124.73 2ysq s VAL 34 Ca 0.69 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 2ysq s VAL 34 Cb -0.64 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2ysq s VAL 34 CO 0.48 0.20 0.02 -0.63 0.00 0.00 0.00 175.10 175.17 2ysq s ILE 35 N 1.59 4.35 -0.54 2.22 1.01 -1.14 -4.81 121.20 123.88 2ysq s ILE 35 Ca 0.21 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 2ysq s ILE 35 Cb -0.15 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.43 2ysq s ILE 35 CO 0.09 0.46 0.76 -0.75 0.00 0.00 0.00 174.94 175.50 2ysq s LYS 36 N 0.53 3.18 -0.12 2.79 2.47 -1.16 -2.09 119.74 125.34 2ysq s LYS 36 Ca 0.00 -0.71 -0.29 0.00 -1.56 0.00 0.00 55.97 53.42 2ysq s LYS 36 Cb -0.13 -4.11 -0.05 0.00 -1.46 0.00 0.00 37.83 32.08 2ysq s LYS 36 CO 0.02 -1.38 1.81 0.08 0.16 0.00 0.00 175.35 176.03 2ysq s VAL 37 N 3.19 3.40 -0.15 4.02 1.01 -1.01 -2.69 120.40 128.17 2ysq s VAL 37 Ca 0.20 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 2ysq s VAL 37 Cb -0.17 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2ysq s VAL 37 CO 0.14 -0.13 -0.09 -0.07 0.00 0.00 0.00 175.10 174.95 2ysq h LEU 38 N 11.66 0.00 -7.49 3.92 3.38 -1.86 -3.39 115.31 121.53 2ysq h LEU 38 Ca -0.40 -0.10 -0.61 0.00 0.09 0.00 0.00 57.88 56.85 2ysq h LEU 38 Cb 1.19 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.55 2ysq h LEU 38 CO 0.97 0.90 -0.76 -0.62 0.09 0.00 0.00 178.44 179.02 2ysq s ASP 39 N -5.96 4.14 -0.26 -0.43 2.15 -1.26 -4.96 116.67 110.08 2ysq s ASP 39 Ca -0.17 -1.59 -0.08 0.00 0.43 0.00 0.00 52.55 51.14 2ysq s ASP 39 Cb 0.03 -1.19 -0.13 0.00 -0.30 0.00 0.00 42.92 41.32 2ysq s ASP 39 CO 0.29 -0.33 -0.30 0.00 -0.17 0.00 0.00 175.17 174.65 2ysq n ALA 40 N 4.62 1.34 -4.44 3.66 0.00 -1.26 -3.61 120.51 120.81 2ysq n ALA 40 Ca -0.04 -1.06 -0.39 0.00 0.00 0.00 0.00 53.44 51.95 2ysq n ALA 40 Cb 0.43 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.87 -0.96 -4.35 0.00 2.88 -1.26 0.17 113.62 106.23 2ysq n SER 41 Ca -0.50 -1.24 -0.33 0.00 -1.33 0.00 0.00 58.87 55.48 2ysq n SER 41 Cb 0.91 -1.57 -0.10 0.00 -0.75 0.00 0.00 64.21 62.70 2ysq n SER 41 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ysq n ASN 42 N -2.54 0.57 -5.00 -3.46 4.13 -1.26 -4.92 115.26 102.78 2ysq n ASN 42 Ca -0.02 -1.27 -0.18 0.00 1.68 0.00 0.00 54.58 54.79 2ysq n ASN 42 Cb 0.52 -1.61 0.01 0.00 -1.54 0.00 0.00 39.78 37.15 2ysq n ASN 42 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2ysq s LYS 43 N -7.36 2.93 0.36 3.52 2.20 0.13 -5.01 119.74 116.50 2ysq s LYS 43 Ca 0.11 -1.13 0.07 0.00 -0.36 0.00 0.00 55.97 54.66 2ysq s LYS 43 Cb -0.06 -2.77 0.68 0.00 -1.51 0.00 0.00 37.83 34.16 2ysq s LYS 43 CO 1.00 -0.16 1.88 -0.44 -0.36 0.00 0.00 175.35 177.27 2ysq h ASP 44 N 0.71 0.35 -3.54 1.43 3.32 -1.91 -3.42 116.42 113.35 2ysq h ASP 44 Ca -0.42 -0.07 -0.31 0.00 0.02 0.00 0.00 57.03 56.25 2ysq h ASP 44 Cb 1.27 -0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 2ysq h ASP 44 CO 0.48 0.48 -0.74 0.26 -1.72 0.00 0.00 179.24 178.01 2ysq s TRP 45 N -4.80 0.14 0.18 4.55 0.52 -1.26 -4.50 118.94 113.77 2ysq s TRP 45 Ca -0.06 0.07 0.07 0.00 0.02 0.00 0.00 56.10 56.20 2ysq s TRP 45 Cb 0.15 -0.27 -0.04 0.00 -1.15 0.00 0.00 33.47 32.16 2ysq s TRP 45 CO 0.75 -0.09 -0.00 -1.58 0.02 0.00 0.00 176.95 176.05 2ysq s TRP 46 N 0.91 2.83 0.24 -1.98 0.51 -1.26 -4.96 118.94 115.23 2ysq s TRP 46 Ca -0.08 -0.14 -0.26 0.00 -2.12 0.00 0.00 56.10 53.49 2ysq s TRP 46 Cb -0.12 -1.37 -0.09 0.00 -0.81 0.00 0.00 33.47 31.09 2ysq s TRP 46 CO -0.02 0.52 0.86 -0.46 -0.51 0.00 0.00 176.95 177.34 2ysq s TRP 47 N -1.76 3.84 -0.12 -1.98 -0.11 -1.24 -2.95 118.94 114.63 2ysq s TRP 47 Ca 0.28 1.73 0.01 0.00 1.22 0.00 0.00 56.10 59.33 2ysq s TRP 47 Cb -0.09 -2.85 -0.02 0.00 -1.50 0.00 0.00 33.47 29.01 2ysq s TRP 47 CO 0.19 0.40 -0.13 0.20 -4.62 0.00 0.00 176.95 172.98 2ysq s GLY 48 N -1.34 1.54 -0.20 5.86 0.00 0.17 -3.24 107.32 110.09 2ysq s GLY 48 Ca 0.42 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2ysq s GLY 48 CO 0.27 -0.30 -0.12 1.62 0.00 0.00 0.00 173.10 174.58 2ysq s GLN 49 N 0.15 2.18 0.18 2.90 0.74 -1.09 -1.42 119.66 123.29 2ysq s GLN 49 Ca -0.07 -0.91 0.08 0.00 0.05 0.00 0.00 55.36 54.51 2ysq s GLN 49 Cb -0.15 -2.50 -0.04 0.00 1.10 0.00 0.00 33.01 31.42 2ysq s GLN 49 CO 0.05 -0.42 -0.05 0.42 -0.55 0.00 0.00 175.29 174.74 2ysq s ILE 50 N 1.34 3.43 0.09 -2.34 1.01 0.30 -3.00 121.20 122.03 2ysq s ILE 50 Ca -0.02 -1.56 -0.18 0.00 0.00 0.00 0.00 60.65 58.89 2ysq s ILE 50 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2ysq s ILE 50 CO -0.08 -0.12 0.95 0.47 0.00 0.00 0.00 174.94 176.16 2ysq n ASP 51 N -0.05 -0.61 -0.09 3.58 9.92 -1.26 -3.04 116.55 124.99 2ysq n ASP 51 Ca -0.10 1.09 -0.13 0.00 -0.53 0.00 0.00 54.79 55.11 2ysq n ASP 51 Cb 0.55 -0.16 -0.09 0.00 -0.64 0.00 0.00 41.12 40.78 2ysq n ASP 51 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ysq n ASP 52 N -4.59 2.50 -4.81 -2.24 8.00 -1.26 -5.00 116.55 109.15 2ysq n ASP 52 Ca 0.01 -0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.08 2ysq n ASP 52 Cb 0.15 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.38 4.28 0.18 -1.24 8.01 -1.17 -5.07 118.70 121.31 2ysq s GLU 53 Ca -0.25 1.14 -0.17 0.00 0.01 0.00 0.00 54.97 55.69 2ysq s GLU 53 Cb 0.07 -2.30 0.03 0.00 -4.31 0.00 0.00 34.13 27.62 2ysq s GLU 53 CO 0.43 0.03 0.49 -1.21 0.01 0.00 0.00 175.26 175.01 2ysq s GLU 54 N -2.97 1.29 0.00 1.61 8.01 -1.26 0.11 118.70 125.49 2ysq s GLU 54 Ca 0.60 -0.82 0.00 0.00 0.01 0.00 0.00 54.97 54.76 2ysq s GLU 54 Cb -0.11 0.51 0.00 0.00 -4.31 0.00 0.00 34.13 30.22 2ysq s GLU 54 CO 0.15 -0.54 0.00 0.41 0.01 0.00 0.00 175.26 175.29 2ysq n GLY 55 N -0.31 0.69 3.72 -1.39 0.00 -0.51 -4.54 105.19 102.84 2ysq n GLY 55 Ca -0.12 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.31 3.33 0.12 1.61 0.52 -1.26 0.41 118.94 121.37 2ysq s TRP 56 Ca 0.00 0.24 0.11 0.00 0.02 0.00 0.00 56.10 56.47 2ysq s TRP 56 Cb 0.00 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 2ysq s TRP 56 CO 0.00 0.39 -0.27 -0.59 0.02 0.00 0.00 176.95 176.51 2ysq s PHE 57 N -0.29 2.28 0.02 -1.98 -0.71 -1.15 0.25 117.98 116.39 2ysq s PHE 57 Ca 0.09 -0.38 -0.30 0.00 -1.04 0.00 0.00 56.93 55.29 2ysq s PHE 57 Cb -0.12 -1.24 -0.06 0.00 -1.21 0.00 0.00 43.02 40.39 2ysq s PHE 57 CO 0.01 0.32 1.44 -1.25 -1.34 0.00 0.00 175.22 174.40 2ysq s PRO 58 N -2.00 4.27 0.00 1.99 0.04 -1.26 -4.07 135.00 133.97 2ysq s PRO 58 Ca 0.13 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.47 2ysq s PRO 58 Cb -0.10 -3.56 1.39 0.00 0.04 0.00 0.00 34.50 32.28 2ysq s PRO 58 CO 0.06 -0.59 1.93 0.00 0.04 0.00 0.00 177.00 178.44 2ysq n ALA 59 N 5.33 2.37 -0.10 8.56 0.00 -1.26 -3.19 120.51 132.22 2ysq n ALA 59 Ca 0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2ysq n ALA 59 Cb 0.43 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.26 0.60 -1.82 0.00 2.88 -1.26 -4.39 113.62 108.35 2ysq n SER 60 Ca 0.13 -0.02 -0.16 0.00 -1.33 0.00 0.00 58.87 57.50 2ysq n SER 60 Cb 0.21 0.80 0.06 0.00 -0.75 0.00 0.00 64.21 64.53 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 -2.75 1.67 -3.64 0.66 3.01 -1.19 -4.85 117.46 110.36 2ysq n PHE 61 Ca -0.32 -1.74 -0.15 0.00 1.01 0.00 0.00 57.45 56.26 2ysq n PHE 61 Cb 1.09 -0.85 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 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 -2.23 0.04 -0.18 -4.37 -7.23 -1.25 -3.93 120.40 101.24 2ysq s VAL 62 Ca 0.33 -0.29 -0.05 0.00 -1.81 0.00 0.00 61.98 60.15 2ysq s VAL 62 Cb 0.26 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 2ysq s VAL 62 CO 0.02 -0.16 0.01 -0.13 -0.31 0.00 0.00 175.10 174.53 2ysq s ARG 63 N -1.62 3.78 0.64 4.82 1.81 0.45 -4.86 118.95 123.98 2ysq s ARG 63 Ca -0.10 -0.45 -0.17 0.00 -1.72 0.00 0.00 55.73 53.29 2ysq s ARG 63 Cb -0.02 -3.07 -0.01 0.00 -0.45 0.00 0.00 34.95 31.39 2ysq s ARG 63 CO 0.04 0.20 1.21 -0.51 -0.68 0.00 0.00 175.30 175.56 2ysq s LEU 64 N 0.51 3.54 -1.23 2.53 2.01 -1.26 -0.25 118.68 124.53 2ysq s LEU 64 Ca -0.00 2.37 -0.16 0.00 0.01 0.00 0.00 54.13 56.34 2ysq s LEU 64 Cb -0.14 -4.59 0.12 0.00 0.01 0.00 0.00 46.19 41.59 2ysq s LEU 64 CO 0.02 -1.81 1.55 0.26 1.01 0.00 0.00 176.35 177.38 2ysq s TRP 65 N -1.74 3.14 -0.03 0.29 0.52 -0.91 -4.83 118.94 115.37 2ysq s TRP 65 Ca 0.76 -1.83 0.07 0.00 0.02 0.00 0.00 56.10 55.12 2ysq s TRP 65 Cb -0.30 -4.52 -0.02 0.00 -1.15 0.00 0.00 33.47 27.49 2ysq s TRP 65 CO 0.38 -1.60 -0.25 0.08 0.02 0.00 0.00 176.95 175.58 2ysq s VAL 66 N 2.90 1.97 -0.24 4.03 1.01 -1.26 -4.92 120.40 123.90 2ysq s VAL 66 Ca 0.47 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2ysq s VAL 66 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2ysq s VAL 66 CO 0.03 0.56 0.01 0.54 0.00 0.00 0.00 175.10 176.23 2ysq s ASN 67 N -0.45 4.66 0.03 3.32 4.22 -1.26 -5.07 114.94 120.38 2ysq s ASN 67 Ca 0.06 -0.35 -0.28 0.00 -2.14 0.00 0.00 52.86 50.15 2ysq s ASN 67 Cb -0.11 -1.82 0.10 0.00 1.28 0.00 0.00 41.25 40.70 2ysq s ASN 67 CO 0.00 -0.04 0.91 -1.58 -2.04 0.00 0.00 177.10 174.36 2ysq s GLN 68 N 1.53 0.89 0.99 3.55 0.74 -1.26 -5.16 119.66 120.93 2ysq s GLN 68 Ca 0.06 -0.37 -0.14 0.00 0.05 0.00 0.00 55.36 54.96 2ysq s GLN 68 Cb -0.15 0.38 0.06 0.00 1.10 0.00 0.00 33.01 34.40 2ysq s GLN 68 CO -0.00 -0.39 0.37 -0.85 -0.55 0.00 0.00 175.29 173.87 2ysq n GLU 69 N -0.29 -0.61 -4.33 1.67 -0.00 -1.26 -5.04 120.64 110.78 2ysq n GLU 69 Ca -0.08 -0.14 -0.17 0.00 -0.00 0.00 0.00 57.16 56.77 2ysq n GLU 69 Cb 0.62 -1.86 -0.10 0.00 -0.00 0.00 0.00 31.44 30.10 2ysq n GLU 69 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2ysq s ASP 70 N -2.02 1.57 -0.16 -1.84 -4.77 -1.26 -5.13 116.67 103.06 2ysq s ASP 70 Ca 0.57 -1.30 -0.22 0.00 -3.30 0.00 0.00 52.55 48.30 2ysq s ASP 70 Cb -0.19 0.07 -0.03 0.00 -1.09 0.00 0.00 42.92 41.68 2ysq s ASP 70 CO 0.67 -0.62 0.68 -0.70 0.70 0.00 0.00 175.17 175.90 2ysq s GLU 71 N -3.94 4.28 1.24 2.11 2.56 -1.26 -5.06 118.70 118.64 2ysq s GLU 71 Ca 0.33 0.76 -0.19 0.00 0.00 0.00 0.00 54.97 55.86 2ysq s GLU 71 Cb 0.07 -3.54 0.30 0.00 2.00 0.00 0.00 34.13 32.96 2ysq s GLU 71 CO 0.11 -0.18 1.05 0.14 -0.56 0.00 0.00 175.26 175.82 2ysq s VAL 72 N 1.67 1.57 0.47 3.70 -7.23 -1.26 -5.07 120.40 114.25 2ysq s VAL 72 Ca 0.33 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.55 2ysq s VAL 72 Cb -0.16 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2ysq s VAL 72 CO 0.12 0.00 0.18 -1.83 -0.31 0.00 0.00 175.10 173.26 2ysq s GLU 73 N -5.17 2.20 -0.26 4.82 4.04 -1.26 -5.08 118.70 117.99 2ysq s GLU 73 Ca 0.69 -2.07 -0.15 0.00 0.04 0.00 0.00 54.97 53.48 2ysq s GLU 73 Cb -0.13 -1.86 -0.14 0.00 0.02 0.00 0.00 34.13 32.02 2ysq s GLU 73 CO 0.58 -0.31 -0.24 -0.85 -1.84 0.00 0.00 175.26 172.60 2ysq n GLU 74 N -1.36 0.59 0.00 -4.83 0.28 -1.26 -5.12 120.64 108.93 2ysq n GLU 74 Ca -0.07 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2ysq n GLU 74 Cb 0.65 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.98 2ysq n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ysq n GLY 75 N 1.31 -3.27 1.01 -1.84 0.00 -1.26 -4.94 105.19 96.20 2ysq n GLY 75 Ca -0.50 -1.85 -0.00 0.00 0.00 0.00 0.00 46.02 43.67 2ysq n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysq n SER 76 N -0.33 0.31 0.00 1.61 2.88 -1.26 -5.16 113.62 111.67 2ysq n SER 76 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2ysq n SER 76 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2ysq n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysq n GLY 77 N 3.14 -0.99 2.46 0.46 0.00 -1.26 -5.04 105.19 103.95 2ysq n GLY 77 Ca -0.00 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.39 2ysq n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ysq n PRO 78 N -0.10 -2.51 -3.62 1.61 -0.04 -1.26 -5.10 135.00 123.98 2ysq n PRO 78 Ca 0.00 -1.23 -0.05 0.00 -0.04 0.00 0.00 63.50 62.18 2ysq n PRO 78 Cb 0.00 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.58 -0.25 -1.22 3.54 1.04 -1.26 -5.00 113.70 106.97 2ysq s SER 79 Ca 0.50 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 2ysq s SER 79 Cb -0.05 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2ysq s SER 79 CO 0.38 -0.68 0.81 -1.20 0.98 0.00 0.00 173.24 173.53 2ysq n SER 80 N -0.35 -2.72 0.00 7.02 7.64 -1.26 -5.36 113.62 118.60 2ysq n SER 80 Ca -0.07 -0.78 0.01 0.00 1.01 0.00 0.00 58.87 59.04 2ysq n SER 80 Cb 0.61 -4.39 0.08 0.00 -1.01 0.00 0.00 64.21 59.51 2ysq n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64