#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 -0.07 0.28 1.61 0.01 -1.26 -5.03 113.70 109.24 2ysq s SER 2 Ca 0.00 0.06 0.25 0.00 1.31 0.00 0.00 55.95 57.57 2ysq s SER 2 Cb 0.00 0.27 0.59 0.00 0.21 0.00 0.00 66.02 67.09 2ysq s SER 2 CO 0.00 -0.21 1.66 0.77 0.41 0.00 0.00 173.24 175.87 2ysq h SER 3 N 5.09 0.00 -1.49 2.44 4.64 -2.15 -3.50 113.55 118.59 2ysq h SER 3 Ca -0.28 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2ysq h SER 3 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ysq h SER 3 CO 0.41 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 2ysq n GLY 4 N 1.24 -0.49 4.01 -0.77 0.00 -1.26 -5.05 105.19 102.87 2ysq n GLY 4 Ca 0.05 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.00 5.62 -0.08 1.61 0.01 -1.26 -5.07 113.70 110.53 2ysq s SER 5 Ca 0.00 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 2ysq s SER 5 Cb 0.00 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2ysq s SER 5 CO 0.00 -0.80 -0.13 -1.54 0.41 0.00 0.00 173.24 171.18 2ysq n SER 6 N -1.89 0.82 0.00 2.44 3.41 -1.26 -5.08 113.62 112.06 2ysq n SER 6 Ca 0.08 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2ysq n SER 6 Cb 0.59 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 2.46 0.03 3.84 5.00 0.00 -1.26 -5.15 105.19 110.10 2ysq n GLY 7 Ca -0.17 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 6.20 0.28 1.61 1.01 -1.26 -5.08 116.67 119.43 2ysq s ASP 8 Ca 0.00 0.40 -0.29 0.00 0.71 0.00 0.00 52.55 53.37 2ysq s ASP 8 Cb 0.00 -1.99 -0.09 0.00 1.01 0.00 0.00 42.92 41.85 2ysq s ASP 8 CO 0.00 0.38 0.99 -0.94 0.21 0.00 0.00 175.17 175.82 2ysq s SER 9 N -0.88 7.42 -0.11 0.27 1.04 -1.26 -4.99 113.70 115.19 2ysq s SER 9 Ca 0.14 2.02 -0.29 0.00 0.48 0.00 0.00 55.95 58.30 2ysq s SER 9 Cb -0.12 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2ysq s SER 9 CO 0.03 -0.02 1.48 -0.63 0.98 0.00 0.00 173.24 175.08 2ysq s ILE 10 N -1.29 3.90 0.04 -1.02 1.09 -1.26 -4.96 121.20 117.70 2ysq s ILE 10 Ca 0.45 1.09 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 2ysq s ILE 10 Cb -0.26 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.39 2ysq s ILE 10 CO 0.33 -0.11 0.14 0.54 -0.10 0.00 0.00 174.94 175.74 2ysq s VAL 11 N 3.86 5.03 -0.03 2.92 0.11 -1.26 -5.00 120.40 126.03 2ysq s VAL 11 Ca 0.65 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 59.30 2ysq s VAL 11 Cb -0.28 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2ysq s VAL 11 CO 0.23 0.22 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.60 2ysq s SER 12 N -2.21 3.82 0.22 3.54 0.01 -1.26 -1.94 113.70 115.88 2ysq s SER 12 Ca 0.29 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.37 2ysq s SER 12 Cb -0.12 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 2ysq s SER 12 CO 0.22 0.32 -0.19 0.00 0.41 0.00 0.00 173.24 174.00 2ysq s ALA 13 N -0.75 2.33 -0.15 1.44 0.00 -1.13 -2.23 121.76 121.26 2ysq s ALA 13 Ca 0.12 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2ysq s ALA 13 Cb -0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 2ysq s ALA 13 CO 0.01 0.23 -0.16 -2.00 0.00 0.00 0.00 175.76 173.85 2ysq s GLU 14 N -3.23 3.21 -0.02 0.00 2.12 0.42 -2.82 118.70 118.38 2ysq s GLU 14 Ca 0.23 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 2ysq s GLU 14 Cb -0.04 -2.60 -0.06 0.00 0.26 0.00 0.00 34.13 31.68 2ysq s GLU 14 CO 0.10 0.03 1.60 0.00 -0.54 0.00 0.00 175.26 176.44 2ysq s ALA 15 N 0.77 3.63 -0.08 6.30 0.00 -0.93 -0.31 121.76 131.15 2ysq s ALA 15 Ca -0.06 0.98 0.07 0.00 0.00 0.00 0.00 51.96 52.94 2ysq s ALA 15 Cb -0.15 -3.70 -0.10 0.00 0.00 0.00 0.00 23.12 19.16 2ysq s ALA 15 CO 0.00 -1.23 0.02 1.33 0.00 0.00 0.00 175.76 175.88 2ysq n VAL 16 N 5.15 0.57 -3.85 0.00 0.24 -1.10 0.04 118.33 119.38 2ysq n VAL 16 Ca 0.16 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.34 61.77 2ysq n VAL 16 Cb 0.42 -0.79 -0.13 0.00 -1.47 0.00 0.00 33.84 31.88 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 -2.20 3.42 -0.43 6.34 0.52 -1.02 -4.75 118.94 120.82 2ysq s TRP 17 Ca -0.05 -2.10 -0.39 0.00 0.02 0.00 0.00 56.10 53.58 2ysq s TRP 17 Cb 0.03 -2.60 -0.17 0.00 -1.15 0.00 0.00 33.47 29.58 2ysq s TRP 17 CO 0.33 -0.87 1.55 -0.40 0.02 0.00 0.00 176.95 177.58 2ysq n ASP 18 N 4.61 0.87 -4.26 2.95 5.75 -1.26 -4.73 116.55 120.47 2ysq n ASP 18 Ca -0.08 0.83 -0.44 0.00 -0.01 0.00 0.00 54.79 55.09 2ysq n ASP 18 Cb 0.43 -0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 2ysq n ASP 18 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2ysq s HIS 19 N 3.61 3.60 0.09 2.11 2.46 -1.18 -4.92 115.29 121.06 2ysq s HIS 19 Ca 0.95 -2.08 -0.16 0.00 0.47 0.00 0.00 55.06 54.24 2ysq s HIS 19 Cb -1.28 -3.65 -0.07 0.00 -0.13 0.00 0.00 32.58 27.46 2ysq s HIS 19 CO 0.64 -0.96 0.52 0.14 -2.47 0.00 0.00 174.74 172.61 2ysq s VAL 20 N 0.35 4.87 -0.07 0.89 -7.23 -1.26 -3.46 120.40 114.49 2ysq s VAL 20 Ca 0.15 0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 61.01 2ysq s VAL 20 Cb -0.16 -3.78 0.05 0.00 0.56 0.00 0.00 36.38 33.06 2ysq s VAL 20 CO -0.06 0.41 0.55 0.28 -0.31 0.00 0.00 175.10 175.98 2ysq s THR 21 N -1.27 0.02 -0.46 5.32 -1.32 -1.26 -5.06 115.64 111.60 2ysq s THR 21 Ca 0.32 -0.14 0.04 0.00 -1.21 0.00 0.00 61.69 60.69 2ysq s THR 21 Cb -0.17 -0.85 0.44 0.00 -1.51 0.00 0.00 72.50 70.41 2ysq s THR 21 CO 0.18 -0.08 1.46 0.23 -2.21 0.00 0.00 174.62 174.21 2ysq n MET 22 N 1.38 3.27 -3.92 7.08 2.81 -1.26 -5.02 117.12 121.46 2ysq n MET 22 Ca -0.19 -3.95 -0.22 0.00 -1.81 0.00 0.00 57.70 51.53 2ysq n MET 22 Cb 0.56 -2.28 -0.05 0.00 -0.71 0.00 0.00 33.22 30.75 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 -3.69 3.71 -0.14 3.04 0.00 -1.26 -5.06 121.76 118.36 2ysq s ALA 23 Ca 0.54 -1.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.51 2ysq s ALA 23 Cb 0.44 -0.95 -0.25 0.00 0.00 0.00 0.00 23.12 22.35 2ysq s ALA 23 CO -0.06 -0.01 0.60 -0.97 0.00 0.00 0.00 175.76 175.32 2ysq h ASN 24 N 1.36 0.15 -3.37 0.00 -0.73 -2.03 -3.43 115.58 107.53 2ysq h ASN 24 Ca -0.44 -0.84 -0.72 0.00 1.87 0.00 0.00 56.30 56.18 2ysq h ASN 24 Cb 1.25 -0.05 -0.31 0.00 0.27 0.00 0.00 38.32 39.49 2ysq h ASN 24 CO 0.61 1.32 -0.44 -0.13 -0.37 0.00 0.00 177.43 178.41 2ysq s ARG 25 N -2.34 2.37 -0.13 6.67 0.52 -1.26 -5.03 118.95 119.74 2ysq s ARG 25 Ca -0.21 -1.74 -0.32 0.00 -0.52 0.00 0.00 55.73 52.94 2ysq s ARG 25 Cb 0.01 -3.81 0.13 0.00 0.52 0.00 0.00 34.95 31.80 2ysq s ARG 25 CO 0.70 -1.13 1.09 -1.83 0.02 0.00 0.00 175.30 174.15 2ysq s GLU 26 N 1.31 0.49 -0.76 3.54 4.04 -1.26 -4.87 118.70 121.20 2ysq s GLU 26 Ca 0.06 -0.14 -0.18 0.00 0.04 0.00 0.00 54.97 54.75 2ysq s GLU 26 Cb -0.25 0.23 0.14 0.00 0.02 0.00 0.00 34.13 34.27 2ysq s GLU 26 CO -0.01 -0.21 0.86 -1.17 -1.84 0.00 0.00 175.26 172.89 2ysq s LEU 27 N -2.10 5.61 0.32 1.83 1.98 -0.63 -4.45 118.68 121.25 2ysq s LEU 27 Ca 0.07 -1.93 0.00 0.00 -2.89 0.00 0.00 54.13 49.38 2ysq s LEU 27 Cb -0.01 -2.31 -0.04 0.00 0.66 0.00 0.00 46.19 44.49 2ysq s LEU 27 CO -0.06 -0.97 0.53 0.00 -1.89 0.00 0.00 176.35 173.96 2ysq s ALA 28 N 2.08 3.71 0.01 5.97 0.00 -1.26 -4.52 121.76 127.76 2ysq s ALA 28 Ca 0.20 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 2ysq s ALA 28 Cb -0.14 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 20.98 2ysq s ALA 28 CO -0.02 0.06 1.25 -0.59 0.00 0.00 0.00 175.76 176.45 2ysq s PHE 29 N -2.24 -0.01 -0.01 0.00 -0.71 -1.22 -5.00 117.98 108.79 2ysq s PHE 29 Ca 0.40 -0.14 0.06 0.00 -1.04 0.00 0.00 56.93 56.21 2ysq s PHE 29 Cb -0.10 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 2ysq s PHE 29 CO 0.35 -0.36 -0.21 0.15 -1.34 0.00 0.00 175.22 173.81 2ysq s LYS 30 N -2.27 1.66 -0.58 1.99 1.02 -1.26 -3.12 119.74 117.18 2ysq s LYS 30 Ca 0.21 -0.74 -0.26 0.00 0.02 0.00 0.00 55.97 55.20 2ysq s LYS 30 Cb 0.02 -1.61 -0.15 0.00 -0.52 0.00 0.00 37.83 35.57 2ysq s LYS 30 CO -0.01 0.44 1.78 0.00 -0.92 0.00 0.00 175.35 176.64 2ysq n ALA 31 N 2.56 0.19 0.00 5.17 0.00 -1.26 -0.40 120.51 126.76 2ysq n ALA 31 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2ysq n ALA 31 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 4.94 4.11 3.15 0.00 0.00 0.11 -4.95 105.19 112.54 2ysq n GLY 32 Ca 0.44 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.71 -3.86 1.61 8.00 0.46 -4.54 116.55 115.51 2ysq n ASP 33 Ca 0.00 -0.24 -0.26 0.00 0.71 0.00 0.00 54.79 55.00 2ysq n ASP 33 Cb 0.00 -0.84 -0.17 0.00 -0.02 0.00 0.00 41.12 40.09 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 -2.15 0.84 -0.21 2.53 1.01 -1.26 -2.18 120.40 118.98 2ysq s VAL 34 Ca 0.47 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 2ysq s VAL 34 Cb -0.07 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2ysq s VAL 34 CO 0.53 0.30 0.08 -0.63 0.00 0.00 0.00 175.10 175.38 2ysq s ILE 35 N 1.78 4.68 -0.16 2.22 1.09 -1.13 -4.85 121.20 124.84 2ysq s ILE 35 Ca 0.04 -0.06 -0.26 0.00 -1.10 0.00 0.00 60.65 59.28 2ysq s ILE 35 Cb -0.13 -3.15 -0.01 0.00 -1.06 0.00 0.00 42.46 38.11 2ysq s ILE 35 CO -0.07 0.40 0.85 -0.75 -0.10 0.00 0.00 174.94 175.26 2ysq s LYS 36 N 0.92 4.31 0.12 2.79 2.20 -0.94 -2.84 119.74 126.30 2ysq s LYS 36 Ca 0.04 1.06 -0.26 0.00 -0.36 0.00 0.00 55.97 56.45 2ysq s LYS 36 Cb -0.14 -3.57 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 2ysq s LYS 36 CO 0.03 -0.32 0.82 0.08 -0.36 0.00 0.00 175.35 175.59 2ysq s VAL 37 N 2.13 4.48 -0.24 4.02 1.01 -0.82 0.07 120.40 131.05 2ysq s VAL 37 Ca 0.39 1.77 -0.13 0.00 0.00 0.00 0.00 61.98 64.02 2ysq s VAL 37 Cb -0.17 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 2ysq s VAL 37 CO 0.13 0.44 -0.32 0.18 0.00 0.00 0.00 175.10 175.53 2ysq n LEU 38 N 2.18 1.74 -3.73 3.92 4.77 -1.08 -4.18 117.00 120.63 2ysq n LEU 38 Ca -0.03 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 2ysq n LEU 38 Cb 0.49 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 2ysq n LEU 38 CO 0.48 0.48 -0.31 -1.81 -1.33 0.00 0.00 177.39 174.89 2ysq s ASP 39 N -7.17 3.94 -0.79 -1.43 1.11 -1.26 -4.91 116.67 106.16 2ysq s ASP 39 Ca -0.34 -1.89 0.00 0.00 0.18 0.00 0.00 52.55 50.50 2ysq s ASP 39 Cb 0.13 -0.91 0.35 0.00 1.07 0.00 0.00 42.92 43.56 2ysq s ASP 39 CO 0.43 -0.38 1.67 0.00 1.18 0.00 0.00 175.17 178.07 2ysq n ALA 40 N 4.52 5.91 -1.11 5.23 0.00 -1.26 -4.07 120.51 129.72 2ysq n ALA 40 Ca 0.01 -4.37 -0.36 0.00 0.00 0.00 0.00 53.44 48.72 2ysq n ALA 40 Cb 0.40 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.36 3.83 -3.93 0.00 2.88 -1.26 -4.49 113.62 110.29 2ysq n SER 41 Ca 0.46 -2.58 -0.25 0.00 -1.33 0.00 0.00 58.87 55.18 2ysq n SER 41 Cb 0.34 -1.21 -0.08 0.00 -0.75 0.00 0.00 64.21 62.52 2ysq n SER 41 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2ysq n ASN 42 N 6.02 0.62 -4.62 -3.46 6.94 -1.26 -4.89 115.26 114.61 2ysq n ASN 42 Ca 0.50 -1.01 -0.34 0.00 -0.02 0.00 0.00 54.58 53.71 2ysq n ASN 42 Cb 0.30 -1.25 -0.10 0.00 -2.36 0.00 0.00 39.78 36.37 2ysq n ASN 42 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2ysq s LYS 43 N -6.46 2.99 0.26 -3.83 2.20 -1.26 -5.00 119.74 108.64 2ysq s LYS 43 Ca 0.01 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.18 2ysq s LYS 43 Cb -0.01 -2.74 0.68 0.00 -1.51 0.00 0.00 37.83 34.26 2ysq s LYS 43 CO 0.78 0.63 1.31 -0.25 -0.36 0.00 0.00 175.35 177.46 2ysq n ASP 44 N 2.35 -0.06 -4.03 1.43 8.00 -1.26 -4.10 116.55 118.88 2ysq n ASP 44 Ca -0.18 1.42 -0.24 0.00 0.71 0.00 0.00 54.79 56.49 2ysq n ASP 44 Cb 0.53 -0.53 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 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 -5.74 1.41 0.26 1.24 0.52 -1.26 -4.41 118.94 110.97 2ysq s TRP 45 Ca -0.11 -0.50 0.07 0.00 0.02 0.00 0.00 56.10 55.59 2ysq s TRP 45 Cb 0.25 -1.03 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 2ysq s TRP 45 CO 0.65 -0.25 0.20 -1.58 0.02 0.00 0.00 176.95 175.99 2ysq s TRP 46 N 0.59 3.07 0.21 -1.98 0.51 -1.26 -5.00 118.94 115.09 2ysq s TRP 46 Ca -0.13 -0.14 -0.25 0.00 -2.12 0.00 0.00 56.10 53.47 2ysq s TRP 46 Cb -0.15 -1.44 -0.08 0.00 -0.81 0.00 0.00 33.47 30.99 2ysq s TRP 46 CO 0.03 0.48 0.81 -0.46 -0.51 0.00 0.00 176.95 177.30 2ysq s TRP 47 N -2.16 3.84 0.16 -1.98 -0.11 -1.26 -3.11 118.94 114.32 2ysq s TRP 47 Ca 0.34 1.64 0.10 0.00 1.22 0.00 0.00 56.10 59.39 2ysq s TRP 47 Cb -0.08 -2.78 -0.04 0.00 -1.50 0.00 0.00 33.47 29.07 2ysq s TRP 47 CO 0.25 0.43 -0.16 0.20 -4.62 0.00 0.00 176.95 173.05 2ysq s GLY 48 N -1.32 1.71 -0.05 5.86 0.00 0.13 -2.63 107.32 111.02 2ysq s GLY 48 Ca 0.40 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 2ysq s GLY 48 CO 0.25 -1.49 0.05 1.62 0.00 0.00 0.00 173.10 173.54 2ysq s GLN 49 N -2.56 0.03 0.17 2.90 0.74 0.11 -2.06 119.66 118.98 2ysq s GLN 49 Ca 0.21 0.32 0.06 0.00 0.05 0.00 0.00 55.36 56.01 2ysq s GLN 49 Cb -0.09 -0.64 -0.04 0.00 1.10 0.00 0.00 33.01 33.34 2ysq s GLN 49 CO 0.12 -0.34 0.04 0.42 -0.55 0.00 0.00 175.29 174.98 2ysq s ILE 50 N 2.14 3.98 0.08 -2.34 1.01 0.12 -2.21 121.20 123.97 2ysq s ILE 50 Ca 0.05 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 2ysq s ILE 50 Cb -0.12 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2ysq s ILE 50 CO -0.04 -0.10 0.93 0.47 0.00 0.00 0.00 174.94 176.21 2ysq n ASP 51 N -0.16 -0.50 -0.11 3.58 8.00 -1.26 -3.17 116.55 122.93 2ysq n ASP 51 Ca -0.09 1.05 -0.18 0.00 0.71 0.00 0.00 54.79 56.28 2ysq n ASP 51 Cb 0.55 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 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 -4.19 2.14 -4.87 -2.24 8.00 -1.26 -5.00 116.55 109.13 2ysq n ASP 52 Ca 0.01 -0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 2ysq n ASP 52 Cb 0.12 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 -2.45 3.66 0.17 -1.24 0.41 -1.19 -5.09 118.70 112.97 2ysq s GLU 53 Ca -0.31 0.78 -0.20 0.00 -0.41 0.00 0.00 54.97 54.83 2ysq s GLU 53 Cb 0.09 -2.09 0.05 0.00 -1.78 0.00 0.00 34.13 30.39 2ysq s GLU 53 CO 0.50 -0.51 0.54 -1.21 -0.49 0.00 0.00 175.26 174.08 2ysq s GLU 54 N -4.99 1.28 0.00 1.61 2.02 -1.26 0.15 118.70 117.51 2ysq s GLU 54 Ca 0.56 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.89 2ysq s GLU 54 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.67 2ysq s GLU 54 CO 0.50 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2ysq n GLY 55 N -0.34 0.77 3.62 -1.39 0.00 -0.88 -4.08 105.19 102.89 2ysq n GLY 55 Ca -0.14 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.46 3.17 0.14 1.61 1.48 -1.26 0.17 118.94 120.79 2ysq s TRP 56 Ca 0.00 0.01 0.08 0.00 -1.06 0.00 0.00 56.10 55.13 2ysq s TRP 56 Cb 0.00 -1.96 -0.04 0.00 -1.16 0.00 0.00 33.47 30.31 2ysq s TRP 56 CO 0.00 0.20 -0.12 -0.59 -4.06 0.00 0.00 176.95 172.38 2ysq s PHE 57 N -0.02 2.64 -0.22 1.66 -0.71 -1.18 -1.60 117.98 118.54 2ysq s PHE 57 Ca 0.04 -0.21 -0.29 0.00 -1.04 0.00 0.00 56.93 55.43 2ysq s PHE 57 Cb -0.13 -1.35 -0.03 0.00 -1.21 0.00 0.00 43.02 40.31 2ysq s PHE 57 CO 0.02 0.45 1.61 -1.25 -1.34 0.00 0.00 175.22 174.71 2ysq s PRO 58 N -2.43 3.79 0.00 1.99 0.04 -1.26 -4.08 135.00 133.05 2ysq s PRO 58 Ca 0.22 1.66 0.17 0.00 0.04 0.00 0.00 61.00 63.09 2ysq s PRO 58 Cb -0.10 -4.04 0.88 0.00 0.04 0.00 0.00 34.50 31.29 2ysq s PRO 58 CO 0.13 -1.30 1.51 0.00 0.04 0.00 0.00 177.00 177.39 2ysq n ALA 59 N 8.46 1.95 -0.10 8.56 0.00 -1.26 -2.56 120.51 135.55 2ysq n ALA 59 Ca 0.19 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2ysq n ALA 59 Cb 0.45 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.27 0.34 -0.39 0.00 2.88 -1.26 -4.23 113.62 109.68 2ysq n SER 60 Ca 0.08 -0.02 0.11 0.00 -1.33 0.00 0.00 58.87 57.72 2ysq n SER 60 Cb 0.14 0.75 0.46 0.00 -0.75 0.00 0.00 64.21 64.81 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 -2.84 0.12 -4.41 0.66 3.01 -1.06 -4.84 117.46 108.10 2ysq n PHE 61 Ca -0.35 -0.06 -0.28 0.00 1.01 0.00 0.00 57.45 57.77 2ysq n PHE 61 Cb 1.13 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 40.47 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 -1.88 2.09 -0.19 -4.37 -7.23 -1.11 -2.43 120.40 105.29 2ysq s VAL 62 Ca 0.33 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 2ysq s VAL 62 Cb 0.17 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 2ysq s VAL 62 CO 0.27 0.07 0.07 -0.13 -0.31 0.00 0.00 175.10 175.07 2ysq s ARG 63 N -1.93 3.95 0.76 4.82 1.81 0.58 -4.88 118.95 124.05 2ysq s ARG 63 Ca 0.12 -0.36 -0.15 0.00 -1.72 0.00 0.00 55.73 53.63 2ysq s ARG 63 Cb -0.10 -3.23 0.06 0.00 -0.45 0.00 0.00 34.95 31.22 2ysq s ARG 63 CO 0.05 0.22 1.23 -0.51 -0.68 0.00 0.00 175.30 175.61 2ysq s LEU 64 N 0.51 3.26 -0.19 2.53 1.43 -1.26 -0.44 118.68 124.51 2ysq s LEU 64 Ca 0.03 2.42 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 2ysq s LEU 64 Cb -0.13 -4.60 0.21 0.00 0.03 0.00 0.00 46.19 41.71 2ysq s LEU 64 CO 0.01 -2.47 1.60 0.79 0.23 0.00 0.00 176.35 176.50 2ysq n TRP 65 N -2.92 1.14 -3.92 0.29 7.02 -0.95 -4.77 117.44 113.33 2ysq n TRP 65 Ca 0.14 -1.28 -0.35 0.00 -1.02 0.00 0.00 57.50 54.99 2ysq n TRP 65 Cb 0.50 -0.64 -0.14 0.00 -2.42 0.00 0.00 31.31 28.61 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 -1.41 2.97 -0.80 -0.99 1.01 -1.26 -5.02 120.40 114.89 2ysq s VAL 66 Ca 0.22 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2ysq s VAL 66 Cb 0.18 -2.66 0.20 0.00 0.00 0.00 0.00 36.38 34.10 2ysq s VAL 66 CO 0.02 -0.03 0.66 0.20 0.00 0.00 0.00 175.10 175.95 2ysq s ASN 67 N 1.27 5.72 -0.70 3.32 -0.87 -1.26 -4.91 114.94 117.51 2ysq s ASN 67 Ca -0.04 -3.45 -0.02 0.00 -1.57 0.00 0.00 52.86 47.78 2ysq s ASN 67 Cb -0.19 -1.89 0.43 0.00 -0.02 0.00 0.00 41.25 39.58 2ysq s ASN 67 CO -0.02 -0.24 2.03 0.00 -2.57 0.00 0.00 177.10 176.30 2ysq n GLN 68 N 2.69 2.71 -3.32 -0.60 10.64 -1.26 -4.83 117.38 123.41 2ysq n GLN 68 Ca 0.17 -3.34 -0.04 0.00 -1.83 0.00 0.00 57.00 51.97 2ysq n GLN 68 Cb 0.37 -2.29 -0.05 0.00 -0.86 0.00 0.00 30.24 27.42 2ysq n GLN 68 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2ysq s GLU 69 N -3.88 0.44 -0.66 2.61 2.12 -1.26 -5.03 118.70 113.04 2ysq s GLU 69 Ca 0.62 0.82 -0.01 0.00 0.36 0.00 0.00 54.97 56.76 2ysq s GLU 69 Cb 0.50 0.08 0.43 0.00 0.26 0.00 0.00 34.13 35.40 2ysq s GLU 69 CO -0.09 -0.57 1.94 -3.47 -0.54 0.00 0.00 175.26 172.53 2ysq n ASP 70 N 5.40 7.37 -4.44 -1.70 2.03 -1.26 -4.92 116.55 119.03 2ysq n ASP 70 Ca -0.04 -3.79 -0.44 0.00 0.52 0.00 0.00 54.79 51.05 2ysq n ASP 70 Cb 0.50 -0.92 -0.04 0.00 -0.72 0.00 0.00 41.12 39.94 2ysq n ASP 70 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2ysq s GLU 71 N -3.84 3.23 0.35 -0.67 2.12 -1.26 -5.03 118.70 113.61 2ysq s GLU 71 Ca 0.61 -1.18 -0.21 0.00 0.36 0.00 0.00 54.97 54.55 2ysq s GLU 71 Cb 0.49 -4.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.35 2ysq s GLU 71 CO -0.07 -1.76 0.88 0.14 -0.54 0.00 0.00 175.26 173.91 2ysq s VAL 72 N 3.44 4.41 -0.30 3.70 -7.23 -1.26 -5.06 120.40 118.10 2ysq s VAL 72 Ca 0.23 1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 61.73 2ysq s VAL 72 Cb -0.15 -3.76 0.17 0.00 0.56 0.00 0.00 36.38 33.21 2ysq s VAL 72 CO 0.04 -0.09 1.03 -0.70 -0.31 0.00 0.00 175.10 175.07 2ysq s GLU 73 N -2.65 0.23 -0.29 4.82 2.56 -1.26 -5.17 118.70 116.95 2ysq s GLU 73 Ca 0.55 0.50 -0.21 0.00 0.00 0.00 0.00 54.97 55.81 2ysq s GLU 73 Cb -0.13 0.29 0.14 0.00 2.00 0.00 0.00 34.13 36.43 2ysq s GLU 73 CO 0.18 -0.16 1.06 -2.00 -0.56 0.00 0.00 175.26 173.77 2ysq s GLU 74 N 2.65 0.39 0.00 4.30 2.56 -1.26 -5.03 118.70 122.31 2ysq s GLU 74 Ca -0.00 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.52 2ysq s GLU 74 Cb -0.08 0.15 0.00 0.00 2.00 0.00 0.00 34.13 36.20 2ysq s GLU 74 CO -0.15 -0.06 0.00 0.41 -0.56 0.00 0.00 175.26 174.90 2ysq n GLY 75 N 2.79 2.46 2.53 -1.50 0.00 -1.26 -5.13 105.19 105.09 2ysq n GLY 75 Ca -0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2ysq n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysq n SER 76 N 0.00 -0.12 -0.56 1.61 7.64 -1.26 -4.94 113.62 115.99 2ysq n SER 76 Ca 0.00 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2ysq n SER 76 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2ysq n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysq n GLY 77 N 1.14 5.14 0.85 0.23 0.00 -1.26 -5.17 105.19 106.12 2ysq n GLY 77 Ca 0.14 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -1.55 -3.83 1.61 -0.04 -1.26 -5.10 135.00 124.83 2ysq n PRO 78 Ca 0.00 -0.42 -0.08 0.00 -0.04 0.00 0.00 63.50 62.95 2ysq n PRO 78 Cb 0.00 -0.40 0.01 0.00 -0.04 0.00 0.00 33.50 33.07 2ysq n PRO 78 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ysq s SER 79 N -2.23 -0.04 0.95 3.54 0.01 -1.26 -5.18 113.70 109.50 2ysq s SER 79 Ca 0.17 -1.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.26 2ysq s SER 79 Cb -0.02 0.81 0.18 0.00 0.21 0.00 0.00 66.02 67.20 2ysq s SER 79 CO 0.13 -1.59 1.24 -0.94 0.41 0.00 0.00 173.24 172.49 2ysq s SER 80 N -3.04 3.22 0.00 2.44 1.04 -1.26 -5.38 113.70 110.73 2ysq s SER 80 Ca 0.15 0.51 0.04 0.00 0.48 0.00 0.00 55.95 57.13 2ysq s SER 80 Cb -0.05 -0.74 0.27 0.00 0.10 0.00 0.00 66.02 65.59 2ysq s SER 80 CO 0.11 -2.69 0.74 0.61 0.98 0.00 0.00 173.24 172.99