#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0y s THR 2 N 0.00 5.45 -0.07 2.03 -4.23 -1.26 -5.07 115.64 112.49 1t0y s THR 2 Ca 0.00 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1t0y s THR 2 Cb 0.00 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.38 1t0y s THR 2 CO 0.00 0.56 -0.17 -1.61 -0.54 0.00 0.00 174.62 172.86 1t0y s GLU 3 N -0.59 2.72 0.01 3.99 8.01 -1.26 -5.04 118.70 126.54 1t0y s GLU 3 Ca 0.13 -0.76 0.02 0.00 0.01 0.00 0.00 54.97 54.38 1t0y s GLU 3 Cb -0.12 -2.37 -0.01 0.00 -4.31 0.00 0.00 34.13 27.32 1t0y s GLU 3 CO 0.03 0.46 -0.07 0.14 0.01 0.00 0.00 175.26 175.83 1t0y s VAL 4 N -0.31 0.50 0.00 2.63 -7.23 -1.26 0.01 120.40 114.74 1t0y s VAL 4 Ca 0.02 -0.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1t0y s VAL 4 Cb -0.13 -0.46 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 1t0y s VAL 4 CO 0.03 0.02 -0.21 -0.72 -0.31 0.00 0.00 175.10 173.90 1t0y s TYR 5 N -0.43 1.86 -0.34 2.82 -0.85 0.31 -4.76 117.35 115.96 1t0y s TYR 5 Ca -0.00 -0.36 -0.12 0.00 -0.52 0.00 0.00 57.07 56.07 1t0y s TYR 5 Cb -0.04 -1.17 -0.01 0.00 0.38 0.00 0.00 41.96 41.12 1t0y s TYR 5 CO -0.00 0.01 0.22 -0.51 -1.52 0.00 0.00 175.55 173.75 1t0y s ASP 6 N -0.69 5.92 0.19 -0.18 1.01 -1.26 -1.89 116.67 119.77 1t0y s ASP 6 Ca 0.08 -0.51 0.08 0.00 0.71 0.00 0.00 52.55 52.91 1t0y s ASP 6 Cb -0.08 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 1t0y s ASP 6 CO -0.00 -0.25 -0.15 -1.48 0.21 0.00 0.00 175.17 173.50 1t0y s LEU 7 N 1.68 2.52 -0.21 1.23 0.05 -0.99 -0.61 118.68 122.36 1t0y s LEU 7 Ca 0.05 -0.98 -0.06 0.00 0.05 0.00 0.00 54.13 53.20 1t0y s LEU 7 Cb -0.17 -0.69 -0.02 0.00 -2.05 0.00 0.00 46.19 43.25 1t0y s LEU 7 CO 0.09 -0.15 0.01 -0.70 -0.55 0.00 0.00 176.35 175.06 1t0y s GLU 8 N -3.42 3.63 -0.15 1.48 2.12 -1.21 -0.83 118.70 120.32 1t0y s GLU 8 Ca 0.20 -0.51 -0.08 0.00 0.36 0.00 0.00 54.97 54.94 1t0y s GLU 8 Cb -0.02 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1t0y s GLU 8 CO 0.06 -0.03 0.13 0.42 -0.54 0.00 0.00 175.26 175.30 1t0y s ILE 9 N 1.13 5.40 0.04 -3.70 1.01 0.18 -2.39 121.20 122.86 1t0y s ILE 9 Ca 0.03 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1t0y s ILE 9 Cb -0.14 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1t0y s ILE 9 CO 0.02 0.55 -0.24 0.42 0.00 0.00 0.00 174.94 175.68 1t0y s THR 10 N -0.44 2.33 0.12 2.92 -4.23 0.10 -1.06 115.64 115.38 1t0y s THR 10 Ca 0.12 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1t0y s THR 10 Cb -0.12 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1t0y s THR 10 CO 0.02 0.38 0.05 -0.89 -0.54 0.00 0.00 174.62 173.64 1t0y s THR 11 N -0.82 0.12 -0.43 3.99 2.01 -1.26 -0.06 115.64 119.20 1t0y s THR 11 Ca 0.12 -1.90 0.26 0.00 0.31 0.00 0.00 61.69 60.48 1t0y s THR 11 Cb -0.10 -2.00 0.31 0.00 0.01 0.00 0.00 72.50 70.72 1t0y s THR 11 CO 0.03 -0.51 1.77 -0.55 -0.69 0.00 0.00 174.62 174.66 1t0y h ASN 12 N 2.89 0.00 -0.26 3.53 -1.07 -1.66 -2.81 115.58 116.19 1t0y h ASN 12 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.02 1t0y h ASN 12 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1t0y h ASN 12 CO 0.60 0.00 0.00 0.00 0.07 0.00 0.00 177.43 178.10 1t0y n ALA 13 N -1.90 2.48 -3.15 4.14 0.00 -1.26 -4.94 120.51 115.87 1t0y n ALA 13 Ca 0.03 -1.66 -0.33 0.00 0.00 0.00 0.00 53.44 51.48 1t0y n ALA 13 Cb 0.36 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.16 1t0y n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t0y s THR 14 N -1.80 3.04 -0.20 0.00 -4.23 -1.06 -4.95 115.64 106.44 1t0y s THR 14 Ca 0.29 -0.66 0.22 0.00 -1.18 0.00 0.00 61.69 60.36 1t0y s THR 14 Cb 0.20 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.70 1t0y s THR 14 CO 0.11 0.52 0.94 0.47 -0.54 0.00 0.00 174.62 176.11 1t0y n ASP 15 N 3.67 0.73 -3.96 3.99 8.00 -1.26 -4.64 116.55 123.07 1t0y n ASP 15 Ca -0.18 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.35 1t0y n ASP 15 Cb 0.52 0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 42.10 1t0y n ASP 15 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1t0y s PHE 16 N -3.34 1.41 0.64 1.24 5.36 -1.26 -5.14 117.98 116.89 1t0y s PHE 16 Ca -0.02 -0.60 -0.18 0.00 -0.96 0.00 0.00 56.93 55.17 1t0y s PHE 16 Cb 0.10 -1.11 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1t0y s PHE 16 CO 0.81 -0.38 1.27 -2.14 -1.46 0.00 0.00 175.22 173.33 1t0y s PRO 17 N 1.15 2.62 -0.15 10.12 0.02 -1.26 -4.97 135.00 142.53 1t0y s PRO 17 Ca -0.06 2.00 0.02 0.00 0.02 0.00 0.00 61.00 62.99 1t0y s PRO 17 Cb -0.14 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.53 1t0y s PRO 17 CO -0.02 -1.53 -0.21 1.41 -0.33 0.00 0.00 177.00 176.32 1t0y s MET 18 N -3.40 3.03 0.05 5.54 1.75 -0.23 -4.90 119.30 121.15 1t0y s MET 18 Ca 0.81 -0.84 -0.21 0.00 -1.25 0.00 0.00 55.69 54.20 1t0y s MET 18 Cb -0.36 -2.48 -0.06 0.00 2.84 0.00 0.00 34.83 34.77 1t0y s MET 18 CO 0.39 -0.05 0.62 -1.21 -0.65 0.00 0.00 175.02 174.11 1t0y s GLU 19 N 0.92 4.31 -0.14 4.11 2.02 -1.26 0.51 118.70 129.16 1t0y s GLU 19 Ca -0.04 0.80 -0.18 0.00 0.02 0.00 0.00 54.97 55.57 1t0y s GLU 19 Cb -0.15 -3.30 0.05 0.00 0.10 0.00 0.00 34.13 30.83 1t0y s GLU 19 CO -0.04 0.49 0.47 0.21 0.02 0.00 0.00 175.26 176.41 1t0y s LYS 20 N -0.63 0.62 -0.21 1.61 2.36 -0.01 -4.96 119.74 118.52 1t0y s LYS 20 Ca 0.31 0.51 -0.08 0.00 -2.55 0.00 0.00 55.97 54.16 1t0y s LYS 20 Cb -0.19 0.30 -0.04 0.00 -1.05 0.00 0.00 37.83 36.84 1t0y s LYS 20 CO 0.19 -0.11 0.08 0.21 1.55 0.00 0.00 175.35 177.27 1t0y s LYS 21 N -0.10 3.87 0.20 4.03 2.20 -1.26 -2.35 119.74 126.32 1t0y s LYS 21 Ca -0.03 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1t0y s LYS 21 Cb -0.03 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1t0y s LYS 21 CO 0.02 0.07 -0.04 0.71 -0.36 0.00 0.00 175.35 175.75 1t0y s TYR 22 N 0.92 1.44 0.37 4.03 2.02 -0.79 -4.94 117.35 120.40 1t0y s TYR 22 Ca 0.04 -0.86 -0.26 0.00 -0.37 0.00 0.00 57.07 55.63 1t0y s TYR 22 Cb -0.14 -0.80 -0.09 0.00 -0.40 0.00 0.00 41.96 40.54 1t0y s TYR 22 CO 0.03 0.01 1.11 -2.14 -1.57 0.00 0.00 175.55 172.99 1t0y s PRO 23 N -3.82 4.24 0.00 -1.71 0.02 -1.26 -0.53 135.00 131.94 1t0y s PRO 23 Ca 0.24 1.72 0.28 0.00 0.02 0.00 0.00 61.00 63.27 1t0y s PRO 23 Cb 0.04 -2.76 1.24 0.00 0.02 0.00 0.00 34.50 33.04 1t0y s PRO 23 CO 0.05 -0.13 1.92 0.00 -0.33 0.00 0.00 177.00 178.52 1t0y n ALA 24 N 0.31 2.31 1.29 -1.55 0.00 0.10 -2.96 120.51 120.01 1t0y n ALA 24 Ca 0.03 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1t0y n ALA 24 Cb 0.47 -1.46 0.40 0.00 0.00 0.00 0.00 19.45 18.86 1t0y n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0y n GLY 25 N 1.40 -0.49 3.79 0.00 0.00 -1.26 -0.57 105.19 108.06 1t0y n GLY 25 Ca 0.08 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1t0y n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t0y s MET 26 N -2.41 2.80 -0.02 1.61 0.00 -1.15 -4.66 119.30 115.47 1t0y s MET 26 Ca 0.27 1.19 -0.17 0.00 0.00 0.00 0.00 55.69 56.98 1t0y s MET 26 Cb 0.20 -1.96 -0.05 0.00 0.00 0.00 0.00 34.83 33.01 1t0y s MET 26 CO 0.49 -1.22 0.46 -1.12 0.00 0.00 0.00 175.02 173.63 1t0y s SER 27 N -3.13 6.82 0.27 1.11 0.01 -1.26 -2.53 113.70 114.99 1t0y s SER 27 Ca 0.62 0.98 -0.02 0.00 1.31 0.00 0.00 55.95 58.84 1t0y s SER 27 Cb -0.17 -2.28 0.44 0.00 0.21 0.00 0.00 66.02 64.21 1t0y s SER 27 CO 0.48 0.21 1.86 0.25 0.41 0.00 0.00 173.24 176.45 1t0y h LEU 28 N 5.31 0.96 -0.92 2.44 7.12 -1.71 0.19 115.31 128.69 1t0y h LEU 28 Ca -0.48 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.50 1t0y h LEU 28 Cb 1.21 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.13 1t0y h LEU 28 CO 0.66 0.58 0.14 0.78 -0.13 0.00 0.00 178.44 180.47 1t0y h ASN 29 N 1.07 0.87 0.34 1.25 2.35 -1.84 0.97 115.58 120.60 1t0y h ASN 29 Ca 0.44 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.86 1t0y h ASN 29 Cb 0.27 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1t0y h ASN 29 CO -0.20 0.85 -0.68 -0.78 -1.65 0.00 0.00 177.43 174.96 1t0y h ASP 30 N 0.89 0.36 -0.32 5.81 3.58 -1.45 -0.93 116.42 124.37 1t0y h ASP 30 Ca 0.19 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1t0y h ASP 30 Cb 0.33 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1t0y h ASP 30 CO 0.00 0.93 0.15 0.25 -2.88 0.00 0.00 179.24 177.69 1t0y h LEU 31 N 0.21 0.43 -0.21 2.28 6.46 -0.14 0.10 115.31 124.44 1t0y h LEU 31 Ca -0.02 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1t0y h LEU 31 Cb 1.23 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1t0y h LEU 31 CO 0.11 0.45 0.12 0.11 -0.62 0.00 0.00 178.44 178.60 1t0y h LYS 32 N 0.38 0.24 -0.23 1.25 1.57 -0.60 0.01 116.57 119.18 1t0y h LYS 32 Ca 0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1t0y h LYS 32 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1t0y h LYS 32 CO -0.01 0.16 0.13 -0.22 -0.57 0.00 0.00 179.45 178.94 1t0y h LYS 33 N 0.24 0.31 -0.27 3.15 3.64 -0.85 0.74 116.57 123.54 1t0y h LYS 33 Ca 0.08 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1t0y h LYS 33 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1t0y h LYS 33 CO -0.04 0.23 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.93 1t0y h LYS 34 N 0.32 0.62 -0.54 1.90 1.63 -0.13 -2.08 116.57 118.29 1t0y h LYS 34 Ca 0.08 -0.31 -0.07 0.00 -0.85 0.00 0.00 60.65 59.51 1t0y h LYS 34 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1t0y h LYS 34 CO -0.02 0.90 0.05 -0.07 -3.45 0.00 0.00 179.45 176.86 1t0y h LEU 35 N 0.34 0.85 -1.87 5.20 3.38 0.41 -2.48 115.31 121.15 1t0y h LEU 35 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1t0y h LEU 35 Cb 0.76 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1t0y h LEU 35 CO 0.06 0.88 -0.04 -0.33 0.09 0.00 0.00 178.44 179.10 1t0y h GLU 36 N 0.84 0.03 0.00 1.13 4.39 0.60 0.56 114.58 122.13 1t0y h GLU 36 Ca 0.17 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1t0y h GLU 36 Cb 0.43 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1t0y h GLU 36 CO 0.01 0.08 -0.15 1.25 -1.16 0.00 0.00 179.01 179.04 1t0y h LEU 37 N 0.03 0.00 0.12 1.33 5.85 -0.89 0.57 115.31 122.32 1t0y h LEU 37 Ca 0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.38 1t0y h LEU 37 Cb 0.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1t0y h LEU 37 CO 0.01 0.15 -1.90 0.58 -0.34 0.00 0.00 178.44 176.94 1t0y h VAL 38 N 0.00 0.68 0.00 1.05 2.07 -0.73 -3.39 116.25 115.93 1t0y h VAL 38 Ca -0.00 -2.34 -0.17 0.00 0.82 0.00 0.00 66.70 65.01 1t0y h VAL 38 Cb 0.27 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1t0y h VAL 38 CO 0.02 0.84 -0.84 0.58 0.02 0.00 0.00 177.57 178.19 1t0y h VAL 39 N -0.04 1.37 0.00 2.57 2.07 0.09 -3.48 116.25 118.84 1t0y h VAL 39 Ca -0.41 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.16 1t0y h VAL 39 Cb 1.96 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.41 1t0y h VAL 39 CO 0.06 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.05 1t0y n GLY 40 N 1.31 2.47 0.59 2.17 0.00 0.20 -5.01 105.19 106.92 1t0y n GLY 40 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1t0y n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t0y n THR 41 N -2.00 0.00 -4.20 2.61 -2.24 -1.26 -5.03 114.28 102.16 1t0y n THR 41 Ca 0.00 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 1t0y n THR 41 Cb 0.00 -1.70 -0.07 0.00 -2.10 0.00 0.00 70.33 66.46 1t0y n THR 41 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1t0y s THR 42 N -1.03 3.83 0.52 4.28 2.01 -1.26 -4.90 115.64 119.09 1t0y s THR 42 Ca 0.11 -1.51 0.18 0.00 0.31 0.00 0.00 61.69 60.78 1t0y s THR 42 Cb -0.00 -2.98 0.30 0.00 0.01 0.00 0.00 72.50 69.83 1t0y s THR 42 CO 0.08 -0.21 2.12 0.58 -0.69 0.00 0.00 174.62 176.49 1t0y h VAL 43 N 2.14 0.94 -0.20 3.82 2.07 -1.95 -1.71 116.25 121.38 1t0y h VAL 43 Ca -0.47 -0.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1t0y h VAL 43 Cb 1.22 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1t0y h VAL 43 CO 0.59 0.00 -0.48 -0.78 0.02 0.00 0.00 177.57 176.92 1t0y h ASP 44 N 0.00 0.57 0.24 0.57 3.58 -2.03 -2.95 116.42 116.41 1t0y h ASP 44 Ca 0.05 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1t0y h ASP 44 Cb 0.22 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1t0y h ASP 44 CO -0.00 0.96 -0.18 -1.20 -2.88 0.00 0.00 179.24 175.94 1t0y n SER 45 N -3.99 0.90 -4.61 2.28 7.64 -0.66 -4.75 113.62 110.43 1t0y n SER 45 Ca -0.02 -0.87 -0.38 0.00 1.01 0.00 0.00 58.87 58.61 1t0y n SER 45 Cb 0.56 0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.71 1t0y n SER 45 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1t0y s MET 46 N -2.43 3.99 -0.09 1.43 -2.45 -1.08 -0.58 119.30 118.09 1t0y s MET 46 Ca 0.28 -0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 1t0y s MET 46 Cb 0.20 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.63 1t0y s MET 46 CO 0.48 -0.11 -0.10 0.50 1.05 0.00 0.00 175.02 176.85 1t0y s ARG 47 N 1.56 2.96 -0.10 4.11 6.06 0.17 -4.92 118.95 128.78 1t0y s ARG 47 Ca 0.07 -0.61 0.03 0.00 -2.50 0.00 0.00 55.73 52.73 1t0y s ARG 47 Cb -0.15 -2.59 -0.01 0.00 0.06 0.00 0.00 34.95 32.26 1t0y s ARG 47 CO 0.09 0.50 -0.21 0.42 -2.50 0.00 0.00 175.30 173.60 1t0y s ILE 48 N -0.38 2.36 -0.05 4.11 1.01 -1.26 -0.77 121.20 126.22 1t0y s ILE 48 Ca 0.05 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1t0y s ILE 48 Cb -0.12 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1t0y s ILE 48 CO 0.02 0.55 -0.19 -1.10 0.00 0.00 0.00 174.94 174.23 1t0y s GLN 49 N 0.18 2.46 -0.19 2.79 1.11 0.23 -3.78 119.66 122.46 1t0y s GLN 49 Ca -0.12 -0.78 -0.06 0.00 0.01 0.00 0.00 55.36 54.40 1t0y s GLN 49 Cb -0.16 -2.28 -0.03 0.00 -1.01 0.00 0.00 33.01 29.53 1t0y s GLN 49 CO 0.07 0.55 0.03 -1.17 0.01 0.00 0.00 175.29 174.78 1t0y s LEU 50 N -0.56 3.57 -0.09 2.90 0.20 0.62 0.47 118.68 125.78 1t0y s LEU 50 Ca 0.08 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1t0y s LEU 50 Cb -0.11 -1.90 -0.02 0.00 -0.43 0.00 0.00 46.19 43.73 1t0y s LEU 50 CO 0.01 0.14 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.73 1t0y s PHE 51 N 0.58 2.83 0.26 5.38 0.40 0.83 -1.02 117.98 127.24 1t0y s PHE 51 Ca 0.01 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 1t0y s PHE 51 Cb -0.13 -1.76 -0.00 0.00 0.51 0.00 0.00 43.02 41.63 1t0y s PHE 51 CO 0.02 0.05 0.47 0.34 0.70 0.00 0.00 175.22 176.79 1t0y s ASP 52 N -0.23 0.05 -0.69 1.36 2.15 -0.81 -2.14 116.67 116.37 1t0y s ASP 52 Ca 0.02 -1.03 -0.04 0.00 0.43 0.00 0.00 52.55 51.92 1t0y s ASP 52 Cb -0.13 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1t0y s ASP 52 CO 0.03 -1.16 0.51 0.61 -0.17 0.00 0.00 175.17 174.99 1t0y n GLY 53 N -0.40 0.19 5.00 2.66 0.00 -1.26 -2.34 105.19 109.04 1t0y n GLY 53 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1t0y n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t0y n ASP 54 N -0.61 0.00 0.00 1.61 2.03 -1.26 -2.77 116.55 115.54 1t0y n ASP 54 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1t0y n ASP 54 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1t0y n ASP 55 N 2.42 0.32 -4.77 1.67 2.03 -1.26 -5.01 116.55 111.96 1t0y n ASP 55 Ca 0.00 -0.81 -0.39 0.00 0.52 0.00 0.00 54.79 54.11 1t0y n ASP 55 Cb 0.00 0.10 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 1t0y n ASP 55 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1t0y s GLN 56 N -0.10 4.21 -0.19 -0.67 -0.21 -0.99 -4.85 119.66 116.86 1t0y s GLN 56 Ca 0.00 1.98 -0.25 0.00 0.02 0.00 0.00 55.36 57.11 1t0y s GLN 56 Cb 0.00 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 31.13 1t0y s GLN 56 CO 0.00 -0.23 0.85 -1.17 -2.12 0.00 0.00 175.29 172.62 1t0y s LEU 57 N -2.13 4.14 -0.13 2.90 2.96 -1.26 -1.93 118.68 123.23 1t0y s LEU 57 Ca 0.53 1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 55.48 1t0y s LEU 57 Cb -0.34 -3.25 -0.25 0.00 0.50 0.00 0.00 46.19 42.85 1t0y s LEU 57 CO 0.44 -0.46 0.38 0.11 -1.32 0.00 0.00 176.35 175.50 1t0y h LYS 58 N 7.44 0.21 0.00 1.98 1.79 -1.38 -3.48 116.57 123.13 1t0y h LYS 58 Ca -0.27 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1t0y h LYS 58 Cb 1.11 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1t0y h LYS 58 CO 0.86 1.17 0.00 0.41 -1.08 0.00 0.00 179.45 180.81 1t0y n GLY 59 N 1.81 0.82 3.69 3.86 0.00 -1.18 -4.98 105.19 109.21 1t0y n GLY 59 Ca -0.31 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 1t0y n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t0y s GLU 60 N -2.00 4.11 0.00 1.61 2.56 -1.25 -0.28 118.70 123.45 1t0y s GLU 60 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1t0y s GLU 60 Cb 0.00 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.64 1t0y s GLU 60 CO 0.00 0.15 0.00 1.28 -0.56 0.00 0.00 175.26 176.13 1t0y n LEU 61 N 3.99 0.00 0.00 2.70 4.77 -1.25 -4.90 117.00 122.32 1t0y n LEU 61 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1t0y n LEU 61 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1t0y n LEU 61 CO 0.36 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.83 1t0y n THR 62 N 0.00 0.00 0.00 -5.08 -1.04 -1.26 -4.90 114.28 102.00 1t0y n THR 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t0y n THR 62 Cb 0.00 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1t0y n THR 62 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1t0y n ASP 63 N 0.00 0.00 0.00 8.00 8.00 -1.26 -4.84 116.55 126.45 1t0y n ASP 63 Ca 0.00 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.25 1t0y n ASP 63 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1t0y n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t0y n GLY 64 N -0.15 1.36 0.14 0.44 0.00 -1.26 -4.71 105.19 101.02 1t0y n GLY 64 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1t0y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t0y n ALA 65 N 0.58 2.76 -4.45 4.61 0.00 -1.26 -3.82 120.51 118.93 1t0y n ALA 65 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1t0y n ALA 65 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1t0y n ALA 65 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1t0y n LYS 66 N -0.85 0.89 -2.08 0.00 2.85 -1.26 -5.09 118.16 112.62 1t0y n LYS 66 Ca 0.15 -2.79 -0.29 0.00 -1.05 0.00 0.00 58.31 54.33 1t0y n LYS 66 Cb 0.28 1.06 0.03 0.00 -0.65 0.00 0.00 35.03 35.74 1t0y n LYS 66 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1t0y s SER 67 N -3.07 5.71 0.40 -5.58 1.04 -1.26 -4.11 113.70 106.83 1t0y s SER 67 Ca 0.07 1.06 0.20 0.00 0.48 0.00 0.00 55.95 57.76 1t0y s SER 67 Cb 0.00 -2.01 0.79 0.00 0.10 0.00 0.00 66.02 64.91 1t0y s SER 67 CO 0.05 -1.11 1.78 -0.07 0.98 0.00 0.00 173.24 174.87 1t0y h LEU 68 N -0.39 0.00 -0.30 2.42 3.38 -0.57 -2.26 115.31 117.59 1t0y h LEU 68 Ca -0.45 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1t0y h LEU 68 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1t0y h LEU 68 CO 0.62 0.33 0.03 0.50 0.09 0.00 0.00 178.44 180.01 1t0y h LYS 69 N 0.00 0.51 -0.03 1.13 3.64 -1.00 0.21 116.57 121.04 1t0y h LYS 69 Ca -0.00 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1t0y h LYS 69 Cb 0.81 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1t0y h LYS 69 CO 0.04 0.64 -0.49 0.22 -2.27 0.00 0.00 179.45 177.59 1t0y h ASP 70 N 0.32 0.07 1.01 4.20 3.58 -1.76 -2.59 116.42 121.25 1t0y h ASP 70 Ca 0.09 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1t0y h ASP 70 Cb 0.39 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1t0y h ASP 70 CO 0.01 0.55 0.00 0.18 -2.88 0.00 0.00 179.24 177.10 1t0y n LEU 71 N -3.96 0.64 0.00 2.28 4.77 -0.87 -4.89 117.00 114.97 1t0y n LEU 71 Ca -0.02 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1t0y n LEU 71 Cb 0.51 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1t0y n LEU 71 CO 0.41 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1t0y n GLY 72 N 0.58 0.93 3.52 -0.72 0.00 -0.77 -5.04 105.19 103.70 1t0y n GLY 72 Ca 0.04 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1t0y n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t0y s VAL 73 N -2.00 4.72 0.30 1.61 1.01 0.67 -5.01 120.40 121.70 1t0y s VAL 73 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1t0y s VAL 73 Cb 0.00 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1t0y s VAL 73 CO 0.00 -0.70 0.04 0.54 0.00 0.00 0.00 175.10 174.97 1t0y n ARG 74 N 6.55 1.01 -2.14 2.72 5.12 -1.26 -4.20 116.66 124.47 1t0y n ARG 74 Ca 0.00 -2.29 -0.39 0.00 -1.93 0.00 0.00 57.85 53.24 1t0y n ARG 74 Cb 0.48 0.86 -0.01 0.00 -1.16 0.00 0.00 32.46 32.63 1t0y n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1t0y s ASP 75 N -2.70 6.26 0.00 0.55 1.11 -1.26 -2.79 116.67 117.83 1t0y s ASP 75 Ca 0.05 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.29 1t0y s ASP 75 Cb 0.00 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1t0y s ASP 75 CO 0.04 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.12 1t0y n GLY 76 N 0.63 2.45 3.84 0.21 0.00 0.22 -4.92 105.19 107.63 1t0y n GLY 76 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1t0y n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t0y s TYR 77 N -2.26 3.39 -0.07 1.61 1.51 -1.12 -4.84 117.35 115.58 1t0y s TYR 77 Ca 0.00 1.43 0.05 0.00 -1.01 0.00 0.00 57.07 57.53 1t0y s TYR 77 Cb 0.00 -2.82 -0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1t0y s TYR 77 CO 0.00 -0.65 -0.21 1.03 -1.11 0.00 0.00 175.55 174.61 1t0y s ARG 78 N -4.44 2.43 -0.10 -0.62 0.52 -0.91 -3.30 118.95 112.53 1t0y s ARG 78 Ca 0.59 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1t0y s ARG 78 Cb -0.12 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 1t0y s ARG 78 CO 0.40 0.24 -0.07 0.42 0.02 0.00 0.00 175.30 176.31 1t0y s ILE 79 N 0.15 3.65 -0.08 1.52 1.01 -1.01 -0.12 121.20 126.32 1t0y s ILE 79 Ca -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1t0y s ILE 79 Cb -0.15 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1t0y s ILE 79 CO 0.05 0.56 -0.11 -2.28 0.00 0.00 0.00 174.94 173.16 1t0y s HIS 80 N -0.29 2.83 -0.07 3.97 5.65 0.18 0.03 115.29 127.58 1t0y s HIS 80 Ca 0.04 -0.22 0.06 0.00 0.25 0.00 0.00 55.06 55.18 1t0y s HIS 80 Cb -0.13 -1.73 -0.01 0.00 -1.18 0.00 0.00 32.58 29.53 1t0y s HIS 80 CO 0.02 0.12 -0.25 0.00 -0.65 0.00 0.00 174.74 173.99 1t0y s ALA 81 N -0.41 2.17 -0.17 1.58 0.00 0.91 -0.60 121.76 125.24 1t0y s ALA 81 Ca 0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 1t0y s ALA 81 Cb -0.12 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.34 1t0y s ALA 81 CO 0.02 0.39 0.45 0.54 0.00 0.00 0.00 175.76 177.16 1t0y s VAL 82 N -0.05 -0.01 -0.05 0.00 0.11 0.05 -1.45 120.40 119.00 1t0y s VAL 82 Ca -0.07 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 1t0y s VAL 82 Cb -0.15 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1t0y s VAL 82 CO 0.05 0.02 0.33 1.51 -3.33 0.00 0.00 175.10 173.67 1t0y s ASP 83 N 0.77 6.66 0.00 3.54 -4.77 -1.26 0.44 116.67 122.04 1t0y s ASP 83 Ca -0.04 0.79 0.27 0.00 -3.30 0.00 0.00 52.55 50.26 1t0y s ASP 83 Cb -0.05 -2.20 0.85 0.00 -1.09 0.00 0.00 42.92 40.43 1t0y s ASP 83 CO -0.06 0.32 1.65 1.33 0.70 0.00 0.00 175.17 179.11 1t0y n VAL 84 N 2.05 0.00 0.11 2.11 0.24 0.25 -3.81 118.33 119.28 1t0y n VAL 84 Ca -0.15 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1t0y n VAL 84 Cb 0.53 -0.04 0.32 0.00 -1.47 0.00 0.00 33.84 33.17 1t0y n VAL 84 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1t0y h THR 85 N 0.11 1.24 -0.09 3.34 2.02 -1.93 -1.78 112.91 115.82 1t0y h THR 85 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1t0y h THR 85 Cb 0.48 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1t0y h THR 85 CO 0.00 0.34 0.00 0.61 0.37 0.00 0.00 175.52 176.84 1t0y n GLY 86 N -0.56 0.35 2.51 2.16 0.00 -1.25 -4.92 105.19 103.48 1t0y n GLY 86 Ca -0.01 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1t0y n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t0y n GLY 87 N 1.21 -0.38 3.79 -0.02 0.00 -0.67 -4.95 105.19 104.17 1t0y n GLY 87 Ca 0.18 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1t0y n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t0y s ASN 88 N -2.35 6.53 -0.33 1.61 0.02 -1.25 -4.33 114.94 114.83 1t0y s ASN 88 Ca 0.08 1.96 -0.00 0.00 -1.02 0.00 0.00 52.86 53.89 1t0y s ASN 88 Cb -0.04 -2.57 -0.00 0.00 0.02 0.00 0.00 41.25 38.66 1t0y s ASN 88 CO 0.10 -0.65 0.31 -0.62 0.02 0.00 0.00 177.10 176.26 1t0y n GLU 89 N -0.60 -0.60 0.00 -0.60 1.02 -1.26 -4.91 120.64 113.69 1t0y n GLU 89 Ca 0.08 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1t0y n GLU 89 Cb 0.51 -3.35 0.00 0.00 -0.02 0.00 0.00 31.44 28.58 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84