#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 -0.32 0.44 1.61 0.15 -1.26 -5.18 113.70 109.14 2ysq s SER 2 Ca 0.00 0.37 0.07 0.00 0.70 0.00 0.00 55.95 57.08 2ysq s SER 2 Cb 0.00 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 2ysq s SER 2 CO 0.00 -0.28 0.27 -0.44 1.20 0.00 0.00 173.24 173.99 2ysq s SER 3 N -1.01 4.60 0.00 5.45 0.01 -1.26 -5.13 113.70 116.37 2ysq s SER 3 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2ysq s SER 3 Cb -0.01 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2ysq s SER 3 CO -0.00 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2ysq n GLY 4 N -1.42 3.81 4.04 3.44 0.00 -1.26 -5.00 105.19 108.81 2ysq n GLY 4 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2ysq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysq n SER 5 N 0.00 0.61 -1.90 1.61 7.64 -1.26 -4.76 113.62 115.57 2ysq n SER 5 Ca 0.00 -1.08 -0.16 0.00 1.01 0.00 0.00 58.87 58.64 2ysq n SER 5 Cb 0.00 -1.35 0.02 0.00 -1.01 0.00 0.00 64.21 61.88 2ysq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ysq n SER 6 N -2.36 6.33 0.00 6.43 3.41 -1.26 -4.69 113.62 121.47 2ysq n SER 6 Ca -0.25 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 2ysq n SER 6 Cb 0.57 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2ysq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysq n GLY 7 N 0.56 2.24 3.55 5.00 0.00 -1.26 -5.19 105.19 110.08 2ysq n GLY 7 Ca 0.28 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.34 0.45 1.61 1.01 -1.26 -5.18 116.67 112.96 2ysq s ASP 8 Ca 0.00 -0.38 0.08 0.00 0.71 0.00 0.00 52.55 52.96 2ysq s ASP 8 Cb 0.00 0.61 0.01 0.00 1.01 0.00 0.00 42.92 44.55 2ysq s ASP 8 CO 0.00 -1.08 0.51 -0.94 0.21 0.00 0.00 175.17 173.87 2ysq s SER 9 N -2.85 5.28 -0.14 0.27 1.04 -1.26 -5.11 113.70 110.94 2ysq s SER 9 Ca 0.07 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 2ysq s SER 9 Cb -0.02 -0.43 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 2ysq s SER 9 CO -0.04 -0.82 0.23 -0.63 0.98 0.00 0.00 173.24 172.97 2ysq s ILE 10 N -2.47 5.34 -0.16 -1.02 1.01 -1.26 -5.08 121.20 117.57 2ysq s ILE 10 Ca 0.52 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 2ysq s ILE 10 Cb -0.06 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2ysq s ILE 10 CO 0.31 0.49 -0.11 -0.69 0.00 0.00 0.00 174.94 174.94 2ysq s VAL 11 N -0.17 3.10 -0.19 2.92 1.01 -1.26 -5.09 120.40 120.72 2ysq s VAL 11 Ca 0.15 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2ysq s VAL 11 Cb -0.13 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2ysq s VAL 11 CO 0.04 0.50 -0.05 -0.44 0.00 0.00 0.00 175.10 175.15 2ysq s SER 12 N 0.68 4.37 0.18 3.32 0.01 -1.26 -2.22 113.70 118.78 2ysq s SER 12 Ca -0.06 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 56.99 2ysq s SER 12 Cb -0.15 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2ysq s SER 12 CO 0.02 0.05 -0.18 0.00 0.41 0.00 0.00 173.24 173.55 2ysq s ALA 13 N 1.04 2.71 -0.12 1.44 0.00 -1.23 -1.73 121.76 123.87 2ysq s ALA 13 Ca 0.01 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.43 2ysq s ALA 13 Cb -0.15 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2ysq s ALA 13 CO 0.00 0.46 -0.16 -2.00 0.00 0.00 0.00 175.76 174.06 2ysq s GLU 14 N -2.68 2.36 -0.25 0.00 2.12 -0.27 -2.90 118.70 117.07 2ysq s GLU 14 Ca 0.22 -0.61 -0.33 0.00 0.36 0.00 0.00 54.97 54.61 2ysq s GLU 14 Cb -0.08 -2.01 -0.09 0.00 0.26 0.00 0.00 34.13 32.20 2ysq s GLU 14 CO 0.12 -0.08 2.13 0.00 -0.54 0.00 0.00 175.26 176.89 2ysq n ALA 15 N 4.28 1.24 -0.08 6.30 0.00 -1.18 -1.20 120.51 129.87 2ysq n ALA 15 Ca -0.19 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2ysq n ALA 15 Cb 0.51 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 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 6.76 1.31 -3.83 0.00 2.07 -1.44 -2.13 116.25 118.99 2ysq h VAL 16 Ca -0.36 -1.42 -0.29 0.00 0.82 0.00 0.00 66.70 65.44 2ysq h VAL 16 Cb 1.29 1.67 -0.28 0.00 -1.52 0.00 0.00 31.29 32.44 2ysq h VAL 16 CO 0.99 0.45 -0.74 0.26 0.02 0.00 0.00 177.57 178.54 2ysq s TRP 17 N -4.33 0.30 -0.42 1.57 0.52 -1.24 -4.81 118.94 110.53 2ysq s TRP 17 Ca -0.13 -0.05 -0.40 0.00 0.02 0.00 0.00 56.10 55.54 2ysq s TRP 17 Cb 0.08 -0.20 -0.15 0.00 -1.15 0.00 0.00 33.47 32.05 2ysq s TRP 17 CO 0.81 -0.01 2.15 -0.40 0.02 0.00 0.00 176.95 179.52 2ysq n ASP 18 N 3.04 1.46 -4.43 2.95 5.68 -1.26 -4.59 116.55 119.39 2ysq n ASP 18 Ca -0.13 0.56 -0.44 0.00 -0.50 0.00 0.00 54.79 54.28 2ysq n ASP 18 Cb 0.59 -1.08 -0.05 0.00 -1.14 0.00 0.00 41.12 39.43 2ysq n ASP 18 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2ysq s HIS 19 N 6.59 2.97 0.04 2.11 2.46 -1.21 -4.95 115.29 123.30 2ysq s HIS 19 Ca 1.14 -0.60 -0.13 0.00 0.47 0.00 0.00 55.06 55.94 2ysq s HIS 19 Cb -1.18 -3.81 -0.06 0.00 -0.13 0.00 0.00 32.58 27.41 2ysq s HIS 19 CO 0.58 -1.21 0.41 0.14 -2.47 0.00 0.00 174.74 172.19 2ysq s VAL 20 N 2.94 5.05 -0.15 0.89 -7.23 -1.26 -3.80 120.40 116.84 2ysq s VAL 20 Ca 0.16 0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 60.73 2ysq s VAL 20 Cb -0.20 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.17 2ysq s VAL 20 CO 0.11 0.46 0.93 0.28 -0.31 0.00 0.00 175.10 176.57 2ysq s THR 21 N -1.22 0.00 -0.41 5.32 -1.32 -1.26 -5.07 115.64 111.68 2ysq s THR 21 Ca 0.28 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.85 2ysq s THR 21 Cb -0.16 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.26 2ysq s THR 21 CO 0.15 0.00 1.04 0.23 -2.21 0.00 0.00 174.62 173.84 2ysq n MET 22 N 0.89 2.64 -3.49 7.08 2.81 -1.26 -4.85 117.12 120.95 2ysq n MET 22 Ca -0.12 -4.10 -0.20 0.00 -1.81 0.00 0.00 57.70 51.47 2ysq n MET 22 Cb 0.58 -1.92 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 2ysq n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysq s ALA 23 N -3.38 4.10 0.02 3.04 0.00 -1.26 -5.05 121.76 119.22 2ysq s ALA 23 Ca 0.41 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 2ysq s ALA 23 Cb 0.41 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 2ysq s ALA 23 CO -0.11 -0.03 1.53 -0.80 0.00 0.00 0.00 175.76 176.34 2ysq s ASN 24 N -4.14 6.73 -1.29 0.00 0.01 -1.26 -2.88 114.94 112.11 2ysq s ASN 24 Ca 0.43 2.27 -0.03 0.00 -0.71 0.00 0.00 52.86 54.82 2ysq s ASN 24 Cb -0.09 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.02 2ysq s ASN 24 CO 0.32 -0.81 0.98 0.54 -1.51 0.00 0.00 177.10 176.61 2ysq n ARG 25 N 5.70 -6.47 -1.66 -0.60 3.00 -1.26 -5.00 116.66 110.37 2ysq n ARG 25 Ca 0.15 0.77 -0.14 0.00 -0.01 0.00 0.00 57.85 58.62 2ysq n ARG 25 Cb 0.42 -5.69 0.08 0.00 0.00 0.00 0.00 32.46 27.27 2ysq n ARG 25 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2ysq n GLU 26 N -4.41 0.05 -3.63 5.56 0.00 -1.14 -4.61 120.64 112.46 2ysq n GLU 26 Ca -0.19 -1.54 -0.29 0.00 0.00 0.00 0.00 57.16 55.14 2ysq n GLU 26 Cb 0.63 -0.45 -0.13 0.00 0.00 0.00 0.00 31.44 31.49 2ysq n GLU 26 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2ysq s LEU 27 N 0.00 1.99 -0.22 -1.84 2.96 -1.26 -4.70 118.68 115.61 2ysq s LEU 27 Ca 0.40 -2.27 -0.23 0.00 -0.22 0.00 0.00 54.13 51.80 2ysq s LEU 27 Cb -0.02 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 2ysq s LEU 27 CO 0.27 -0.31 0.75 0.00 -1.32 0.00 0.00 176.35 175.73 2ysq s ALA 28 N 0.86 3.59 0.31 5.97 0.00 -1.26 -4.89 121.76 126.33 2ysq s ALA 28 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2ysq s ALA 28 Cb -0.23 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2ysq s ALA 28 CO -0.05 -0.76 0.16 -0.59 0.00 0.00 0.00 175.76 174.53 2ysq s PHE 29 N 2.41 1.63 0.19 0.00 -0.12 -1.25 -5.09 117.98 115.75 2ysq s PHE 29 Ca 0.33 -1.38 0.11 0.00 -0.05 0.00 0.00 56.93 55.93 2ysq s PHE 29 Cb -0.16 -0.88 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 2ysq s PHE 29 CO 0.09 -0.52 -0.22 0.15 -0.05 0.00 0.00 175.22 174.67 2ysq s LYS 30 N -3.78 1.46 -0.39 1.99 -0.14 -1.26 -3.28 119.74 114.33 2ysq s LYS 30 Ca 0.35 -1.51 -0.36 0.00 -1.36 0.00 0.00 55.97 53.09 2ysq s LYS 30 Cb 0.05 -1.68 -0.13 0.00 -1.68 0.00 0.00 37.83 34.40 2ysq s LYS 30 CO 0.18 0.35 2.20 0.00 -0.76 0.00 0.00 175.35 177.32 2ysq n ALA 31 N 0.19 0.94 0.00 5.17 0.00 -1.26 -1.36 120.51 124.19 2ysq n ALA 31 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2ysq n ALA 31 Cb 0.57 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 6.67 3.87 3.63 0.00 0.00 -0.80 -4.97 105.19 113.59 2ysq n GLY 32 Ca 0.44 -0.95 -0.52 0.00 0.00 0.00 0.00 46.02 44.99 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 2.16 -4.59 1.61 8.00 -0.46 -4.59 116.55 118.68 2ysq n ASP 33 Ca 0.00 1.10 -0.40 0.00 0.71 0.00 0.00 54.79 56.20 2ysq n ASP 33 Cb 0.00 -1.24 -0.09 0.00 -0.02 0.00 0.00 41.12 39.77 2ysq n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ysq s VAL 34 N 1.30 5.12 -0.14 2.53 1.01 -1.26 -3.12 120.40 125.84 2ysq s VAL 34 Ca 0.86 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 2ysq s VAL 34 Cb -0.90 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2ysq s VAL 34 CO 0.48 0.03 0.04 -0.63 0.00 0.00 0.00 175.10 175.03 2ysq s ILE 35 N 2.17 4.66 -0.75 2.22 1.09 -1.14 -4.93 121.20 124.51 2ysq s ILE 35 Ca 0.16 -0.10 -0.27 0.00 -1.10 0.00 0.00 60.65 59.35 2ysq s ILE 35 Cb -0.16 -3.04 0.02 0.00 -1.06 0.00 0.00 42.46 38.22 2ysq s ILE 35 CO 0.11 0.53 1.38 -0.75 -0.10 0.00 0.00 174.94 176.11 2ysq s LYS 36 N -0.20 3.13 0.00 2.79 2.47 -0.41 -3.49 119.74 124.04 2ysq s LYS 36 Ca 0.07 -0.19 -0.30 0.00 -1.56 0.00 0.00 55.97 53.99 2ysq s LYS 36 Cb -0.12 -4.31 -0.06 0.00 -1.46 0.00 0.00 37.83 31.88 2ysq s LYS 36 CO 0.02 -2.25 1.56 0.08 0.16 0.00 0.00 175.35 174.91 2ysq s VAL 37 N 6.20 3.46 -0.18 4.02 1.01 -0.94 -1.52 120.40 132.45 2ysq s VAL 37 Ca 0.41 0.78 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 2ysq s VAL 37 Cb -0.08 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 2ysq s VAL 37 CO 0.14 -0.02 -0.22 0.18 0.00 0.00 0.00 175.10 175.17 2ysq n LEU 38 N 5.99 1.38 -4.23 3.92 4.77 -1.24 -4.08 117.00 123.52 2ysq n LEU 38 Ca 0.15 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 2ysq n LEU 38 Cb 0.42 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2ysq n LEU 38 CO 0.61 0.40 0.08 -1.81 -1.33 0.00 0.00 177.39 175.34 2ysq s ASP 39 N -6.52 5.89 -0.66 -1.43 1.01 -1.26 -4.99 116.67 108.71 2ysq s ASP 39 Ca -0.25 -2.12 0.05 0.00 0.71 0.00 0.00 52.55 50.94 2ysq s ASP 39 Cb 0.09 -2.06 0.18 0.00 1.01 0.00 0.00 42.92 42.14 2ysq s ASP 39 CO 0.32 -0.67 0.49 0.00 0.21 0.00 0.00 175.17 175.52 2ysq n ALA 40 N 4.66 3.38 -0.05 5.23 0.00 -1.26 -3.12 120.51 129.35 2ysq n ALA 40 Ca -0.04 -4.34 -0.07 0.00 0.00 0.00 0.00 53.44 48.99 2ysq n ALA 40 Cb 0.41 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 2ysq n ALA 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ysq n SER 41 N 1.99 3.14 -4.07 0.00 3.41 -1.26 -5.00 113.62 111.83 2ysq n SER 41 Ca 0.22 -0.05 -0.26 0.00 -0.26 0.00 0.00 58.87 58.52 2ysq n SER 41 Cb 0.37 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.16 2ysq n SER 41 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2ysq s ASN 42 N -4.83 2.04 0.00 4.04 -0.87 -1.26 -4.99 114.94 109.06 2ysq s ASN 42 Ca -0.12 -0.35 0.02 0.00 -1.57 0.00 0.00 52.86 50.84 2ysq s ASN 42 Cb 0.03 -0.93 0.10 0.00 -0.02 0.00 0.00 41.25 40.44 2ysq s ASN 42 CO 0.26 0.06 1.02 1.17 -2.57 0.00 0.00 177.10 177.04 2ysq n LYS 43 N 3.72 0.01 0.00 -0.60 3.00 -1.26 -3.16 118.16 119.87 2ysq n LYS 43 Ca -0.22 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2ysq n LYS 43 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.05 2ysq n LYS 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ysq n ASP 44 N -1.44 0.00 -4.31 3.14 9.92 -1.26 -4.30 116.55 118.31 2ysq n ASP 44 Ca 0.01 0.56 -0.37 0.00 -0.53 0.00 0.00 54.79 54.46 2ysq n ASP 44 Cb 0.02 -0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 39.99 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 -1.38 3.13 -0.04 1.24 0.23 -1.19 -4.36 118.94 116.57 2ysq s TRP 45 Ca 0.00 -1.14 0.06 0.00 -2.03 0.00 0.00 56.10 53.00 2ysq s TRP 45 Cb 0.00 -2.21 -0.01 0.00 0.03 0.00 0.00 33.47 31.28 2ysq s TRP 45 CO 0.00 -0.62 -0.24 -1.58 0.96 0.00 0.00 176.95 175.47 2ysq s TRP 46 N 1.45 2.32 0.24 -1.98 0.52 -1.23 -4.55 118.94 115.71 2ysq s TRP 46 Ca 0.02 -0.61 -0.03 0.00 0.02 0.00 0.00 56.10 55.49 2ysq s TRP 46 Cb -0.17 -1.52 -0.05 0.00 -1.15 0.00 0.00 33.47 30.58 2ysq s TRP 46 CO 0.01 -0.16 0.47 -0.46 0.02 0.00 0.00 176.95 176.83 2ysq s TRP 47 N -0.28 3.48 -0.08 -1.98 -0.11 -1.18 -1.33 118.94 117.46 2ysq s TRP 47 Ca 0.01 0.52 -0.06 0.00 1.22 0.00 0.00 56.10 57.78 2ysq s TRP 47 Cb -0.12 -2.00 0.03 0.00 -1.50 0.00 0.00 33.47 29.87 2ysq s TRP 47 CO 0.02 0.28 0.20 0.20 -4.62 0.00 0.00 176.95 173.03 2ysq s GLY 48 N -3.08 -0.14 -0.10 5.86 0.00 0.09 -3.60 107.32 106.35 2ysq s GLY 48 Ca 0.42 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2ysq s GLY 48 CO 0.29 0.64 -0.14 1.62 0.00 0.00 0.00 173.10 175.52 2ysq s GLN 49 N 0.37 3.07 0.20 2.90 -0.44 -0.58 -2.00 119.66 123.19 2ysq s GLN 49 Ca -0.02 -0.69 0.11 0.00 -2.50 0.00 0.00 55.36 52.25 2ysq s GLN 49 Cb -0.04 -2.54 -0.04 0.00 -1.64 0.00 0.00 33.01 28.75 2ysq s GLN 49 CO -0.02 0.36 -0.18 0.42 0.50 0.00 0.00 175.29 176.37 2ysq s ILE 50 N -0.03 2.69 0.08 -2.34 1.01 0.15 -1.29 121.20 121.47 2ysq s ILE 50 Ca -0.03 -1.94 -0.15 0.00 0.00 0.00 0.00 60.65 58.53 2ysq s ILE 50 Cb -0.14 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2ysq s ILE 50 CO 0.04 -0.15 0.82 0.47 0.00 0.00 0.00 174.94 176.11 2ysq n ASP 51 N 0.06 -0.52 -0.08 3.58 9.92 -1.26 -3.18 116.55 125.06 2ysq n ASP 51 Ca -0.11 0.93 -0.14 0.00 -0.53 0.00 0.00 54.79 54.94 2ysq n ASP 51 Cb 0.56 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.83 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 -4.48 2.11 -4.81 -2.24 9.92 -1.26 -5.01 116.55 110.78 2ysq n ASP 52 Ca 0.01 0.04 -0.33 0.00 -0.53 0.00 0.00 54.79 53.98 2ysq n ASP 52 Cb 0.13 -0.36 -0.01 0.00 -0.64 0.00 0.00 41.12 40.24 2ysq n ASP 52 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ysq s GLU 53 N -2.32 3.51 -0.24 -1.24 2.02 -1.19 -5.07 118.70 114.17 2ysq s GLU 53 Ca -0.23 1.21 -0.10 0.00 0.02 0.00 0.00 54.97 55.87 2ysq s GLU 53 Cb 0.07 -2.06 0.10 0.00 0.10 0.00 0.00 34.13 32.34 2ysq s GLU 53 CO 0.34 -0.66 0.54 -1.21 0.02 0.00 0.00 175.26 174.30 2ysq s GLU 54 N -3.89 0.49 0.00 1.61 2.02 -1.26 0.30 118.70 117.98 2ysq s GLU 54 Ca 0.64 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.79 2ysq s GLU 54 Cb -0.15 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2ysq s GLU 54 CO 0.32 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2ysq n GLY 55 N 5.02 1.24 3.47 -1.39 0.00 -0.85 -4.87 105.19 107.81 2ysq n GLY 55 Ca -0.14 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.02 2.82 0.13 1.61 -2.14 -1.26 -0.73 118.94 117.34 2ysq s TRP 56 Ca 0.00 -0.27 0.08 0.00 2.66 0.00 0.00 56.10 58.56 2ysq s TRP 56 Cb 0.00 -1.74 -0.04 0.00 -3.10 0.00 0.00 33.47 28.59 2ysq s TRP 56 CO 0.00 0.08 -0.19 -0.59 -2.66 0.00 0.00 176.95 173.59 2ysq s PHE 57 N -0.32 1.72 0.22 1.66 -0.12 -0.44 -4.25 117.98 116.44 2ysq s PHE 57 Ca 0.03 -0.45 -0.30 0.00 -0.05 0.00 0.00 56.93 56.16 2ysq s PHE 57 Cb -0.13 -0.91 -0.09 0.00 -0.63 0.00 0.00 43.02 41.27 2ysq s PHE 57 CO 0.02 0.23 1.29 -1.25 -0.05 0.00 0.00 175.22 175.47 2ysq s PRO 58 N -2.31 4.40 0.24 1.99 0.04 -1.26 -3.56 135.00 134.54 2ysq s PRO 58 Ca 0.09 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.34 2ysq s PRO 58 Cb -0.08 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2ysq s PRO 58 CO 0.05 -0.21 1.31 0.00 0.04 0.00 0.00 177.00 178.18 2ysq h ALA 59 N 5.09 0.67 -0.01 8.56 0.00 -1.76 -3.21 119.26 128.59 2ysq h ALA 59 Ca -0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2ysq h ALA 59 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ysq h ALA 59 CO 0.75 0.64 0.00 0.45 0.00 0.00 0.00 179.25 181.09 2ysq n SER 60 N -3.13 0.08 0.00 0.00 2.88 -1.26 -2.80 113.62 109.39 2ysq n SER 60 Ca -0.00 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 2ysq n SER 60 Cb 0.74 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.46 0.00 -4.83 0.66 3.01 -1.21 -5.05 117.46 109.58 2ysq n PHE 61 Ca 0.00 -0.09 -0.25 0.00 1.01 0.00 0.00 57.45 58.13 2ysq n PHE 61 Cb 0.01 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.32 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 -0.17 1.49 -0.20 -4.37 -7.23 -1.12 -1.06 120.40 107.73 2ysq s VAL 62 Ca 0.00 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 2ysq s VAL 62 Cb 0.00 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 2ysq s VAL 62 CO 0.00 0.36 0.18 -0.13 -0.31 0.00 0.00 175.10 175.20 2ysq s ARG 63 N -0.61 4.18 0.50 4.82 0.52 -0.34 -4.85 118.95 123.17 2ysq s ARG 63 Ca 0.07 -0.15 -0.20 0.00 -0.52 0.00 0.00 55.73 54.94 2ysq s ARG 63 Cb -0.07 -3.45 -0.08 0.00 0.52 0.00 0.00 34.95 31.86 2ysq s ARG 63 CO -0.00 0.21 1.04 -0.51 0.02 0.00 0.00 175.30 176.07 2ysq s LEU 64 N 0.59 3.81 0.04 2.53 1.43 -1.26 -1.11 118.68 124.71 2ysq s LEU 64 Ca 0.10 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 2ysq s LEU 64 Cb -0.12 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.37 2ysq s LEU 64 CO 0.01 -0.84 1.24 -0.50 0.23 0.00 0.00 176.35 176.49 2ysq h TRP 65 N 1.43 0.68 -2.94 0.29 4.06 -1.73 -3.40 115.95 114.34 2ysq h TRP 65 Ca -0.49 -0.29 -0.71 0.00 2.06 0.00 0.00 58.89 59.46 2ysq h TRP 65 Cb 1.22 -0.11 -0.20 0.00 -1.00 0.00 0.00 29.16 29.07 2ysq h TRP 65 CO 0.57 1.05 0.32 0.08 -3.56 0.00 0.00 178.44 176.90 2ysq s VAL 66 N -3.73 4.92 -0.24 1.49 1.01 -1.26 -5.01 120.40 117.58 2ysq s VAL 66 Ca -0.13 -1.40 -0.03 0.00 0.00 0.00 0.00 61.98 60.42 2ysq s VAL 66 Cb 0.06 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.87 2ysq s VAL 66 CO 0.82 -1.23 -0.04 0.21 0.00 0.00 0.00 175.10 174.86 2ysq s ASN 67 N 3.35 4.35 -0.59 3.32 2.47 -1.26 -5.07 114.94 121.50 2ysq s ASN 67 Ca 0.19 -0.68 -0.09 0.00 0.42 0.00 0.00 52.86 52.70 2ysq s ASN 67 Cb -0.16 -1.71 0.15 0.00 -1.45 0.00 0.00 41.25 38.09 2ysq s ASN 67 CO -0.01 -0.09 0.47 -1.58 -3.72 0.00 0.00 177.10 172.17 2ysq s GLN 68 N 1.40 2.77 0.05 0.43 -0.44 -1.26 -5.05 119.66 117.56 2ysq s GLN 68 Ca 0.03 -2.11 0.04 0.00 -2.50 0.00 0.00 55.36 50.82 2ysq s GLN 68 Cb -0.16 -4.01 -0.02 0.00 -1.64 0.00 0.00 33.01 27.18 2ysq s GLN 68 CO -0.04 -1.22 -0.13 -2.00 0.50 0.00 0.00 175.29 172.41 2ysq s GLU 69 N 0.75 0.83 -1.07 1.67 2.12 -1.26 -5.09 118.70 116.65 2ysq s GLU 69 Ca 0.11 -0.78 -0.13 0.00 0.36 0.00 0.00 54.97 54.52 2ysq s GLU 69 Cb -0.21 -0.81 0.20 0.00 0.26 0.00 0.00 34.13 33.57 2ysq s GLU 69 CO -0.03 0.19 1.18 0.34 -0.54 0.00 0.00 175.26 176.40 2ysq s ASP 70 N -1.30 7.01 -0.30 -1.70 -1.08 -1.26 -4.90 116.67 113.14 2ysq s ASP 70 Ca -0.01 -2.93 -0.17 0.00 -0.52 0.00 0.00 52.55 48.92 2ysq s ASP 70 Cb -0.08 -2.32 0.18 0.00 -1.46 0.00 0.00 42.92 39.24 2ysq s ASP 70 CO 0.01 -0.65 1.11 -0.70 0.52 0.00 0.00 175.17 175.47 2ysq s GLU 71 N 0.77 0.20 -0.45 4.34 2.12 -1.26 -5.11 118.70 119.31 2ysq s GLU 71 Ca 0.34 0.44 -0.41 0.00 0.36 0.00 0.00 54.97 55.70 2ysq s GLU 71 Cb -0.06 0.20 -0.17 0.00 0.26 0.00 0.00 34.13 34.35 2ysq s GLU 71 CO -0.05 -0.06 1.77 1.33 -0.54 0.00 0.00 175.26 177.71 2ysq n VAL 72 N 4.35 0.00 -1.97 3.70 0.24 -1.26 -4.83 118.33 118.56 2ysq n VAL 72 Ca -0.11 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.80 2ysq n VAL 72 Cb 0.55 -0.45 0.01 0.00 -1.47 0.00 0.00 33.84 32.48 2ysq n VAL 72 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ysq s GLU 73 N 4.51 3.55 -0.66 7.34 2.12 -1.26 -4.92 118.70 129.38 2ysq s GLU 73 Ca 1.04 2.12 -0.02 0.00 0.36 0.00 0.00 54.97 58.47 2ysq s GLU 73 Cb -1.35 -2.46 0.44 0.00 0.26 0.00 0.00 34.13 31.02 2ysq s GLU 73 CO 0.64 -0.82 2.04 -1.91 -0.54 0.00 0.00 175.26 174.67 2ysq n GLU 74 N -0.53 2.65 0.00 4.30 4.07 -1.26 -5.03 120.64 124.84 2ysq n GLU 74 Ca 0.07 -3.22 0.00 0.00 -0.06 0.00 0.00 57.16 53.95 2ysq n GLU 74 Cb 0.45 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 2ysq n GLU 74 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ysq n GLY 75 N -0.87 1.71 3.55 8.31 0.00 -1.26 -4.83 105.19 111.81 2ysq n GLY 75 Ca 0.62 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 2ysq n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysq s SER 76 N -3.80 -0.37 0.31 1.61 0.15 -1.26 -5.16 113.70 105.18 2ysq s SER 76 Ca 0.00 0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.72 2ysq s SER 76 Cb 0.00 0.33 -0.09 0.00 -1.71 0.00 0.00 66.02 64.54 2ysq s SER 76 CO 0.00 -0.43 0.85 -0.83 1.20 0.00 0.00 173.24 174.03 2ysq s GLY 77 N -1.55 2.59 0.92 9.45 0.00 -1.26 -5.07 107.32 112.41 2ysq s GLY 77 Ca 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 44.72 44.88 2ysq s GLY 77 CO -0.01 0.67 0.82 -1.55 0.00 0.00 0.00 173.10 173.03 2ysq n PRO 78 N 0.24 -2.61 -3.94 2.90 -0.04 -1.26 -5.10 135.00 125.18 2ysq n PRO 78 Ca 0.02 -1.32 -0.09 0.00 -0.04 0.00 0.00 63.50 62.07 2ysq n PRO 78 Cb 0.52 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 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 -3.73 -0.05 -1.24 3.54 0.15 -1.26 -4.97 113.70 106.15 2ysq s SER 79 Ca 0.53 -0.90 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 2ysq s SER 79 Cb -0.05 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 2ysq s SER 79 CO 0.41 -1.28 0.85 -1.20 1.20 0.00 0.00 173.24 173.23 2ysq n SER 80 N -0.60 -2.05 0.00 5.45 7.64 -1.26 -5.36 113.62 117.45 2ysq n SER 80 Ca -0.03 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.13 2ysq n SER 80 Cb 0.61 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 2ysq n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64