#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 5.02 -0.02 2.03 -1.32 -1.26 -4.94 115.64 115.16 1t0y s THR 2 Ca 0.00 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1t0y s THR 2 Cb 0.00 -4.02 0.02 0.00 -1.51 0.00 0.00 72.50 66.98 1t0y s THR 2 CO 0.00 -0.36 0.01 -1.61 -2.21 0.00 0.00 174.62 170.45 1t0y s GLU 3 N 2.33 0.08 0.01 7.08 2.02 -1.26 -5.07 118.70 123.90 1t0y s GLU 3 Ca 0.16 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.23 1t0y s GLU 3 Cb -0.16 -0.25 -0.01 0.00 0.10 0.00 0.00 34.13 33.81 1t0y s GLU 3 CO 0.14 -0.09 -0.01 0.14 0.02 0.00 0.00 175.26 175.46 1t0y s VAL 4 N 0.68 0.07 -0.01 2.63 -7.23 -1.26 0.02 120.40 115.30 1t0y s VAL 4 Ca -0.06 -0.56 0.06 0.00 -1.81 0.00 0.00 61.98 59.62 1t0y s VAL 4 Cb -0.09 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1t0y s VAL 4 CO -0.02 -0.31 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.95 1t0y s TYR 5 N -0.90 1.84 -0.33 2.82 2.02 0.74 -4.79 117.35 118.75 1t0y s TYR 5 Ca -0.10 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 1t0y s TYR 5 Cb -0.06 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1t0y s TYR 5 CO -0.01 -0.02 0.43 0.16 -1.57 0.00 0.00 175.55 174.54 1t0y s ASP 6 N -0.54 6.25 0.00 2.29 -4.77 -1.26 -0.51 116.67 118.14 1t0y s ASP 6 Ca 0.08 -0.05 0.02 0.00 -3.30 0.00 0.00 52.55 49.30 1t0y s ASP 6 Cb -0.08 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 1t0y s ASP 6 CO -0.01 -0.37 -0.02 -0.76 0.70 0.00 0.00 175.17 174.71 1t0y s LEU 7 N 2.18 3.39 -0.26 2.11 1.02 -0.13 0.01 118.68 126.99 1t0y s LEU 7 Ca 0.15 -0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.19 1t0y s LEU 7 Cb -0.16 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.11 1t0y s LEU 7 CO 0.12 0.28 0.02 -0.70 0.02 0.00 0.00 176.35 176.09 1t0y s GLU 8 N -1.52 3.23 -0.12 1.70 2.12 0.40 0.40 118.70 124.91 1t0y s GLU 8 Ca 0.19 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.63 1t0y s GLU 8 Cb -0.11 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1t0y s GLU 8 CO 0.09 -0.32 0.35 0.42 -0.54 0.00 0.00 175.26 175.27 1t0y s ILE 9 N 1.48 5.24 0.32 -3.70 -1.09 0.13 -0.49 121.20 123.09 1t0y s ILE 9 Ca 0.04 0.68 0.08 0.00 -2.23 0.00 0.00 60.65 59.22 1t0y s ILE 9 Cb -0.16 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1t0y s ILE 9 CO -0.00 0.41 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.16 1t0y s THR 10 N 0.19 1.94 0.26 2.92 2.01 0.11 -0.46 115.64 122.61 1t0y s THR 10 Ca 0.20 -2.15 -0.16 0.00 0.31 0.00 0.00 61.69 59.89 1t0y s THR 10 Cb -0.14 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.78 1t0y s THR 10 CO 0.07 -0.22 0.56 -0.89 -0.69 0.00 0.00 174.62 173.45 1t0y s THR 11 N -2.81 0.00 -0.24 -0.82 2.01 -1.21 -0.55 115.64 112.02 1t0y s THR 11 Ca 0.32 -1.26 0.19 0.00 0.31 0.00 0.00 61.69 61.24 1t0y s THR 11 Cb 0.04 -2.13 0.08 0.00 0.01 0.00 0.00 72.50 70.49 1t0y s THR 11 CO 0.15 -0.00 1.27 -0.55 -0.69 0.00 0.00 174.62 174.79 1t0y h ASN 12 N 2.16 0.00 0.75 3.53 -1.07 -1.87 -3.32 115.58 115.76 1t0y h ASN 12 Ca -0.24 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 55.88 1t0y h ASN 12 Cb 1.25 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.48 1t0y h ASN 12 CO 0.31 0.28 -1.23 0.00 0.07 0.00 0.00 177.43 176.86 1t0y h ALA 13 N 1.72 0.29 -3.28 4.14 0.00 -1.95 -3.44 119.26 116.74 1t0y h ALA 13 Ca -0.04 -0.99 -0.67 0.00 0.00 0.00 0.00 54.91 53.22 1t0y h ALA 13 Cb 1.24 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.76 1t0y h ALA 13 CO 0.03 1.17 -0.82 0.95 0.00 0.00 0.00 179.25 180.59 1t0y s THR 14 N -2.67 2.57 -0.08 0.00 -4.23 -1.25 -4.98 115.64 105.01 1t0y s THR 14 Ca -0.03 -0.82 0.14 0.00 -1.18 0.00 0.00 61.69 59.80 1t0y s THR 14 Cb 0.08 -2.05 -0.06 0.00 1.34 0.00 0.00 72.50 71.81 1t0y s THR 14 CO 0.85 0.53 1.22 -0.78 -0.54 0.00 0.00 174.62 175.90 1t0y h ASP 15 N 6.94 0.00 -3.38 3.99 3.58 -1.86 -3.21 116.42 122.48 1t0y h ASP 15 Ca -0.26 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.59 1t0y h ASP 15 Cb 1.21 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.17 1t0y h ASP 15 CO 0.53 0.66 0.51 0.12 -2.88 0.00 0.00 179.24 178.18 1t0y s PHE 16 N -2.88 3.21 0.30 0.28 5.36 -1.26 -4.95 117.98 118.03 1t0y s PHE 16 Ca 0.01 0.94 -0.29 0.00 -0.96 0.00 0.00 56.93 56.64 1t0y s PHE 16 Cb 0.08 -3.30 -0.09 0.00 -0.34 0.00 0.00 43.02 39.37 1t0y s PHE 16 CO 0.78 -0.59 1.10 -2.14 -1.46 0.00 0.00 175.22 172.91 1t0y s PRO 17 N 3.10 4.56 -0.12 10.12 0.02 -1.26 -4.85 135.00 146.58 1t0y s PRO 17 Ca 0.36 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.20 1t0y s PRO 17 Cb -0.14 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1t0y s PRO 17 CO 0.12 0.15 -0.23 -1.64 -0.33 0.00 0.00 177.00 175.07 1t0y s MET 18 N -1.60 3.04 -0.09 5.54 -1.94 0.39 -4.88 119.30 119.77 1t0y s MET 18 Ca 0.46 -0.87 -0.23 0.00 -1.71 0.00 0.00 55.69 53.35 1t0y s MET 18 Cb -0.31 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1t0y s MET 18 CO 0.40 0.10 0.68 -1.83 -0.01 0.00 0.00 175.02 174.36 1t0y s GLU 19 N 0.54 4.40 -0.04 2.03 1.03 -1.26 0.19 118.70 125.58 1t0y s GLU 19 Ca -0.14 0.82 -0.02 0.00 0.03 0.00 0.00 54.97 55.66 1t0y s GLU 19 Cb -0.17 -3.47 0.02 0.00 -0.80 0.00 0.00 34.13 29.72 1t0y s GLU 19 CO 0.04 0.02 0.09 0.21 -1.33 0.00 0.00 175.26 174.30 1t0y s LYS 20 N 0.96 0.07 -0.11 -4.83 2.20 0.16 -4.97 119.74 113.24 1t0y s LYS 20 Ca 0.36 0.21 -0.15 0.00 -0.36 0.00 0.00 55.97 56.02 1t0y s LYS 20 Cb -0.17 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 1t0y s LYS 20 CO 0.16 -0.08 0.38 0.21 -0.36 0.00 0.00 175.35 175.66 1t0y s LYS 21 N 0.55 4.18 0.13 4.03 2.20 -1.26 -0.96 119.74 128.62 1t0y s LYS 21 Ca -0.04 0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.93 1t0y s LYS 21 Cb -0.06 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1t0y s LYS 21 CO -0.02 0.33 -0.16 0.71 -0.36 0.00 0.00 175.35 175.85 1t0y s TYR 22 N 0.12 1.58 0.33 4.03 2.02 0.33 -4.97 117.35 120.80 1t0y s TYR 22 Ca 0.21 -0.51 -0.28 0.00 -0.37 0.00 0.00 57.07 56.13 1t0y s TYR 22 Cb -0.15 -0.82 -0.09 0.00 -0.40 0.00 0.00 41.96 40.51 1t0y s TYR 22 CO 0.08 0.21 1.14 -2.14 -1.57 0.00 0.00 175.55 173.28 1t0y s PRO 23 N -2.63 4.39 0.33 -1.71 0.02 -1.26 -0.18 135.00 133.96 1t0y s PRO 23 Ca 0.11 1.83 0.10 0.00 0.02 0.00 0.00 61.00 63.06 1t0y s PRO 23 Cb -0.06 -2.96 0.58 0.00 0.02 0.00 0.00 34.50 32.09 1t0y s PRO 23 CO 0.04 -0.02 1.76 0.00 -0.33 0.00 0.00 177.00 178.45 1t0y h ALA 24 N 3.28 1.24 -0.17 -1.55 0.00 -0.71 -2.96 119.26 118.40 1t0y h ALA 24 Ca -0.48 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1t0y h ALA 24 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1t0y h ALA 24 CO 0.65 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1t0y n GLY 25 N -0.28 0.33 3.93 0.00 0.00 -1.26 -1.34 105.19 106.57 1t0y n GLY 25 Ca -0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.78 2.64 0.19 1.61 0.00 -1.12 -4.83 119.30 116.00 1t0y s MET 26 Ca 0.32 -0.23 -0.26 0.00 0.00 0.00 0.00 55.69 55.52 1t0y s MET 26 Cb 0.18 -2.29 -0.08 0.00 0.00 0.00 0.00 34.83 32.63 1t0y s MET 26 CO 0.26 -0.85 0.82 -1.54 0.00 0.00 0.00 175.02 173.72 1t0y s SER 27 N -4.38 7.45 0.46 1.11 1.04 -1.26 -3.16 113.70 114.96 1t0y s SER 27 Ca 0.56 1.73 0.23 0.00 0.48 0.00 0.00 55.95 58.94 1t0y s SER 27 Cb -0.11 -2.53 1.14 0.00 0.10 0.00 0.00 66.02 64.63 1t0y s SER 27 CO 0.43 0.18 1.95 0.25 0.98 0.00 0.00 173.24 177.04 1t0y h LEU 28 N 4.21 0.00 -1.33 2.42 7.12 -1.38 -2.09 115.31 124.26 1t0y h LEU 28 Ca -0.47 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.56 1t0y h LEU 28 Cb 1.20 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.30 1t0y h LEU 28 CO 0.66 0.21 0.46 0.78 -0.13 0.00 0.00 178.44 180.42 1t0y h ASN 29 N 0.00 0.77 -0.16 1.25 2.35 -1.82 0.24 115.58 118.21 1t0y h ASN 29 Ca -0.00 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 1t0y h ASN 29 Cb 0.51 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1t0y h ASN 29 CO 0.03 0.55 -0.44 -0.78 -1.65 0.00 0.00 177.43 175.14 1t0y h ASP 30 N 0.91 0.77 -0.31 5.81 3.58 -1.68 0.14 116.42 125.65 1t0y h ASP 30 Ca 0.26 -0.37 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 1t0y h ASP 30 Cb -0.07 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 1t0y h ASP 30 CO -0.06 1.10 -0.03 0.25 -2.88 0.00 0.00 179.24 177.62 1t0y h LEU 31 N 0.57 0.56 -0.29 2.28 6.46 -1.14 -0.62 115.31 123.14 1t0y h LEU 31 Ca 0.04 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1t0y h LEU 31 Cb 1.00 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1t0y h LEU 31 CO 0.09 0.76 0.14 0.11 -0.62 0.00 0.00 178.44 178.92 1t0y h LYS 32 N 0.35 0.28 -0.23 1.25 1.57 -0.43 0.13 116.57 119.49 1t0y h LYS 32 Ca 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1t0y h LYS 32 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1t0y h LYS 32 CO 0.02 0.19 0.09 -0.22 -0.57 0.00 0.00 179.45 178.96 1t0y h LYS 33 N 0.29 0.31 -0.25 3.15 1.63 -0.54 0.90 116.57 122.07 1t0y h LYS 33 Ca 0.12 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 1t0y h LYS 33 Cb 0.05 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1t0y h LYS 33 CO -0.09 0.26 -0.32 0.87 -3.45 0.00 0.00 179.45 176.72 1t0y h LYS 34 N 0.32 0.65 -0.27 1.90 6.56 -0.57 -0.52 116.57 124.64 1t0y h LYS 34 Ca 0.08 -0.37 -0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1t0y h LYS 34 Cb 0.06 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1t0y h LYS 34 CO -0.01 0.98 0.16 -0.07 -2.06 0.00 0.00 179.45 178.45 1t0y h LEU 35 N 0.37 0.34 -1.86 2.94 3.38 0.95 -2.16 115.31 119.26 1t0y h LEU 35 Ca 0.03 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1t0y h LEU 35 Cb 0.90 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1t0y h LEU 35 CO 0.08 0.32 0.20 -0.33 0.09 0.00 0.00 178.44 178.79 1t0y h GLU 36 N 0.33 0.17 -0.06 1.13 5.08 0.80 0.36 114.58 122.40 1t0y h GLU 36 Ca 0.10 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1t0y h GLU 36 Cb 0.05 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1t0y h GLU 36 CO -0.02 0.11 -0.10 1.25 -1.00 0.00 0.00 179.01 179.26 1t0y h LEU 37 N 0.17 0.18 -0.07 1.33 5.85 -0.57 0.23 115.31 122.44 1t0y h LEU 37 Ca 0.13 -0.55 -0.20 0.00 0.84 0.00 0.00 57.88 58.10 1t0y h LEU 37 Cb 0.29 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.29 1t0y h LEU 37 CO -0.02 0.69 -0.73 0.58 -0.34 0.00 0.00 178.44 178.62 1t0y h VAL 38 N -0.32 1.33 0.00 1.05 2.07 -0.76 -3.28 116.25 116.34 1t0y h VAL 38 Ca 0.00 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 1t0y h VAL 38 Cb 0.66 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1t0y h VAL 38 CO 0.02 0.62 -0.73 0.58 0.02 0.00 0.00 177.57 178.08 1t0y h VAL 39 N 0.25 0.09 0.00 2.57 2.07 -0.43 -3.47 116.25 117.33 1t0y h VAL 39 Ca -0.07 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1t0y h VAL 39 Cb 1.39 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1t0y h VAL 39 CO 0.15 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1t0y n GLY 40 N 1.18 0.51 3.79 2.17 0.00 0.05 -5.02 105.19 107.88 1t0y n GLY 40 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1t0y n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t0y s THR 41 N -2.00 3.14 0.21 2.61 2.01 -1.12 -5.00 115.64 115.50 1t0y s THR 41 Ca 0.00 0.37 0.11 0.00 0.31 0.00 0.00 61.69 62.49 1t0y s THR 41 Cb 0.00 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1t0y s THR 41 CO 0.00 -0.48 -0.23 0.42 -0.69 0.00 0.00 174.62 173.63 1t0y s THR 42 N -3.09 2.37 0.39 -0.82 -4.23 -1.26 -4.65 115.64 104.34 1t0y s THR 42 Ca 0.61 -2.11 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1t0y s THR 42 Cb -0.15 -2.16 0.27 0.00 1.34 0.00 0.00 72.50 71.81 1t0y s THR 42 CO 0.55 -0.18 2.03 0.58 -0.54 0.00 0.00 174.62 177.05 1t0y h VAL 43 N 3.00 1.09 -0.60 2.29 2.07 -1.98 0.32 116.25 122.45 1t0y h VAL 43 Ca -0.45 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1t0y h VAL 43 Cb 1.22 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1t0y h VAL 43 CO 0.51 0.12 0.38 -0.78 0.02 0.00 0.00 177.57 177.82 1t0y h ASP 44 N 0.66 0.70 -0.55 0.57 3.58 -2.03 -2.82 116.42 116.53 1t0y h ASP 44 Ca 0.21 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1t0y h ASP 44 Cb 0.02 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1t0y h ASP 44 CO -0.05 0.53 0.00 -1.20 -2.88 0.00 0.00 179.24 175.64 1t0y n SER 45 N -4.65 3.72 -4.76 2.28 7.64 -0.87 -4.94 113.62 112.04 1t0y n SER 45 Ca 0.04 -2.00 -0.37 0.00 1.01 0.00 0.00 58.87 57.56 1t0y n SER 45 Cb 0.03 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.27 4.10 -0.22 1.43 -2.45 0.05 -0.49 119.30 120.45 1t0y s MET 46 Ca 0.44 0.10 -0.03 0.00 -1.25 0.00 0.00 55.69 54.94 1t0y s MET 46 Cb 0.24 -3.37 -0.00 0.00 1.25 0.00 0.00 34.83 32.95 1t0y s MET 46 CO 0.33 0.38 -0.06 0.50 1.05 0.00 0.00 175.02 177.21 1t0y s ARG 47 N 0.05 3.32 -0.29 4.11 6.06 0.21 -4.93 118.95 127.49 1t0y s ARG 47 Ca 0.17 -0.65 -0.13 0.00 -2.50 0.00 0.00 55.73 52.62 1t0y s ARG 47 Cb -0.13 -2.96 -0.04 0.00 0.06 0.00 0.00 34.95 31.88 1t0y s ARG 47 CO 0.05 -0.20 0.27 -1.50 -2.50 0.00 0.00 175.30 171.41 1t0y s ILE 48 N 1.46 5.25 -0.01 4.11 1.10 -1.26 -2.36 121.20 129.49 1t0y s ILE 48 Ca 0.06 0.27 0.04 0.00 -0.51 0.00 0.00 60.65 60.51 1t0y s ILE 48 Cb -0.14 -3.62 -0.01 0.00 0.15 0.00 0.00 42.46 38.84 1t0y s ILE 48 CO -0.04 0.17 -0.14 -1.58 -2.11 0.00 0.00 174.94 171.23 1t0y s GLN 49 N 1.88 1.19 -0.14 3.50 0.74 0.33 -2.18 119.66 124.99 1t0y s GLN 49 Ca 0.10 -0.51 -0.04 0.00 0.05 0.00 0.00 55.36 54.96 1t0y s GLN 49 Cb -0.16 -1.14 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 1t0y s GLN 49 CO 0.11 0.30 -0.01 -1.17 -0.55 0.00 0.00 175.29 173.97 1t0y s LEU 50 N -0.31 3.45 -0.13 3.68 0.20 0.14 0.63 118.68 126.34 1t0y s LEU 50 Ca 0.05 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1t0y s LEU 50 Cb -0.06 -1.82 0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1t0y s LEU 50 CO -0.00 0.24 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.79 1t0y s PHE 51 N -0.03 2.10 0.33 5.38 0.40 0.72 -0.42 117.98 126.46 1t0y s PHE 51 Ca 0.03 -1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 55.20 1t0y s PHE 51 Cb -0.13 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1t0y s PHE 51 CO 0.02 -0.60 0.48 0.16 0.70 0.00 0.00 175.22 175.98 1t0y s ASP 52 N 1.31 0.74 0.00 1.36 1.47 -0.99 -1.74 116.67 118.83 1t0y s ASP 52 Ca 0.01 -1.41 0.00 0.00 1.18 0.00 0.00 52.55 52.33 1t0y s ASP 52 Cb -0.14 0.66 0.00 0.00 -0.34 0.00 0.00 42.92 43.10 1t0y s ASP 52 CO -0.07 -1.29 0.00 0.61 0.68 0.00 0.00 175.17 175.09 1t0y n GLY 53 N -0.54 0.65 4.82 2.12 0.00 -1.26 -3.62 105.19 107.37 1t0y n GLY 53 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.28 0.00 0.00 1.61 2.03 -1.26 -2.48 116.55 115.17 1t0y n ASP 54 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1t0y n ASP 54 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 1.29 0.00 -4.69 1.67 2.03 -1.26 -5.15 116.55 110.43 1t0y n ASP 55 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1t0y n ASP 55 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t0y n GLN 56 N -0.43 0.15 -2.80 -0.67 6.02 -1.04 -4.76 117.38 113.85 1t0y n GLN 56 Ca 0.00 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.70 1t0y n GLN 56 Cb 0.00 -2.44 -0.03 0.00 1.02 0.00 0.00 30.24 28.79 1t0y n GLN 56 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1t0y s LEU 57 N -5.75 4.24 -0.15 1.08 0.20 -1.26 -2.33 118.68 114.71 1t0y s LEU 57 Ca 0.73 1.38 -0.12 0.00 0.69 0.00 0.00 54.13 56.81 1t0y s LEU 57 Cb -0.29 -3.39 -0.24 0.00 -0.43 0.00 0.00 46.19 41.84 1t0y s LEU 57 CO 0.51 -0.37 0.32 1.17 -0.29 0.00 0.00 176.35 177.68 1t0y n LYS 58 N 4.84 0.69 -1.01 1.98 0.00 0.44 -4.90 118.16 120.20 1t0y n LYS 58 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 58.31 58.75 1t0y n LYS 58 Cb 0.49 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1t0y n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t0y n GLY 59 N 1.78 0.60 3.79 3.14 0.00 -0.89 -4.98 105.19 108.64 1t0y n GLY 59 Ca -0.32 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 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 3.70 -0.01 1.61 2.12 -1.26 0.24 118.70 123.11 1t0y s GLU 60 Ca 0.00 -0.20 -0.15 0.00 0.36 0.00 0.00 54.97 54.98 1t0y s GLU 60 Cb 0.00 -3.24 -0.08 0.00 0.26 0.00 0.00 34.13 31.07 1t0y s GLU 60 CO 0.00 0.57 0.80 -0.07 -0.54 0.00 0.00 175.26 176.02 1t0y h LEU 61 N 5.71 -0.46 0.00 2.70 4.07 -1.80 -3.48 115.31 122.05 1t0y h LEU 61 Ca -0.48 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1t0y h LEU 61 Cb 1.20 0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1t0y h LEU 61 CO 0.65 -0.18 0.00 1.07 -1.08 0.00 0.00 178.44 178.90 1t0y n THR 62 N -4.31 0.00 -3.98 0.22 5.66 -1.26 -4.98 114.28 105.63 1t0y n THR 62 Ca -0.07 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.81 1t0y n THR 62 Cb 0.22 -0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.86 1t0y n THR 62 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1t0y s ASP 63 N -3.36 0.28 0.00 1.09 1.11 -1.26 -5.00 116.67 109.53 1t0y s ASP 63 Ca 0.00 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.52 1t0y s ASP 63 Cb 0.00 0.02 0.00 0.00 1.07 0.00 0.00 42.92 44.01 1t0y s ASP 63 CO 0.00 -0.09 0.08 0.61 1.18 0.00 0.00 175.17 176.95 1t0y n GLY 64 N 2.49 0.60 0.26 0.21 0.00 -1.26 -4.70 105.19 102.79 1t0y n GLY 64 Ca -0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 1t0y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t0y h ALA 65 N 0.00 1.00 -3.12 4.61 0.00 -1.95 -1.83 119.26 117.97 1t0y h ALA 65 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1t0y h ALA 65 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 1t0y h ALA 65 CO 0.00 0.00 -0.60 -1.59 0.00 0.00 0.00 179.25 177.06 1t0y s LYS 66 N -3.67 2.83 0.89 0.00 -2.85 -1.26 -4.96 119.74 110.73 1t0y s LYS 66 Ca 0.01 -0.74 -0.13 0.00 -1.00 0.00 0.00 55.97 54.10 1t0y s LYS 66 Cb 0.09 -2.68 0.14 0.00 -2.06 0.00 0.00 37.83 33.31 1t0y s LYS 66 CO 0.50 0.55 1.20 -1.54 0.10 0.00 0.00 175.35 176.16 1t0y s SER 67 N -2.51 3.71 0.40 0.03 1.04 -1.26 -3.53 113.70 111.60 1t0y s SER 67 Ca 0.29 0.68 0.07 0.00 0.48 0.00 0.00 55.95 57.47 1t0y s SER 67 Cb -0.12 -1.06 0.84 0.00 0.10 0.00 0.00 66.02 65.78 1t0y s SER 67 CO 0.22 -2.39 2.04 -0.07 0.98 0.00 0.00 173.24 174.01 1t0y h LEU 68 N -1.40 0.46 -0.32 2.42 4.07 -1.40 0.28 115.31 119.42 1t0y h LEU 68 Ca -0.47 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.37 1t0y h LEU 68 Cb 1.30 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1t0y h LEU 68 CO 0.56 0.36 -0.22 0.50 -1.08 0.00 0.00 178.44 178.56 1t0y h LYS 69 N 0.53 0.71 0.00 1.13 3.11 -1.47 0.30 116.57 120.89 1t0y h LYS 69 Ca 0.14 -0.34 -0.18 0.00 -2.81 0.00 0.00 60.65 57.47 1t0y h LYS 69 Cb -0.01 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.19 1t0y h LYS 69 CO -0.03 0.95 -0.83 0.22 -2.81 0.00 0.00 179.45 176.95 1t0y h ASP 70 N 0.47 0.00 1.01 4.20 3.58 -1.60 -2.74 116.42 121.34 1t0y h ASP 70 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1t0y h ASP 70 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1t0y h ASP 70 CO 0.06 0.83 0.00 0.18 -2.88 0.00 0.00 179.24 177.43 1t0y n LEU 71 N -3.54 0.60 -0.32 2.28 4.77 0.90 -4.90 117.00 116.79 1t0y n LEU 71 Ca -0.00 0.60 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1t0y n LEU 71 Cb 0.80 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1t0y n LEU 71 CO 0.45 -0.34 -0.04 0.61 -1.33 0.00 0.00 177.39 176.74 1t0y n GLY 72 N 0.62 0.47 3.55 -0.72 0.00 -0.69 -4.97 105.19 103.45 1t0y n GLY 72 Ca 0.04 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.15 4.13 0.89 1.61 1.01 0.01 -5.00 120.40 120.90 1t0y s VAL 73 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 1t0y s VAL 73 Cb 0.00 -4.68 0.18 0.00 0.00 0.00 0.00 36.38 31.89 1t0y s VAL 73 CO 0.00 -1.31 1.21 -0.13 0.00 0.00 0.00 175.10 174.87 1t0y s ARG 74 N 4.65 0.91 0.55 2.72 1.81 -1.26 -4.63 118.95 123.70 1t0y s ARG 74 Ca 0.37 -0.74 -0.16 0.00 -1.72 0.00 0.00 55.73 53.48 1t0y s ARG 74 Cb -0.10 -2.02 -0.06 0.00 -0.45 0.00 0.00 34.95 32.32 1t0y s ARG 74 CO 0.22 -2.13 1.01 0.16 -0.68 0.00 0.00 175.30 173.88 1t0y s ASP 75 N -4.87 6.30 0.00 0.23 -4.77 -1.26 -3.55 116.67 108.75 1t0y s ASP 75 Ca 0.72 1.64 0.00 0.00 -3.30 0.00 0.00 52.55 51.61 1t0y s ASP 75 Cb -0.04 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1t0y s ASP 75 CO 0.50 -0.81 0.00 0.61 0.70 0.00 0.00 175.17 176.17 1t0y n GLY 76 N -1.49 0.62 3.83 2.12 0.00 0.10 -4.93 105.19 105.43 1t0y n GLY 76 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.68 3.33 -0.24 1.61 1.51 -1.23 -4.81 117.35 114.83 1t0y s TYR 77 Ca 0.00 1.51 -0.08 0.00 -1.01 0.00 0.00 57.07 57.50 1t0y s TYR 77 Cb 0.00 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.04 1t0y s TYR 77 CO 0.00 -0.07 0.08 1.03 -1.11 0.00 0.00 175.55 175.48 1t0y s ARG 78 N -3.16 3.73 -0.27 -0.62 0.52 -0.71 -0.45 118.95 117.99 1t0y s ARG 78 Ca 0.60 -0.44 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1t0y s ARG 78 Cb -0.09 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 1t0y s ARG 78 CO 0.14 -0.11 0.13 0.42 0.02 0.00 0.00 175.30 175.91 1t0y s ILE 79 N 1.42 4.76 -0.28 1.52 -1.09 0.36 -0.20 121.20 127.68 1t0y s ILE 79 Ca 0.06 -0.09 -0.12 0.00 -2.23 0.00 0.00 60.65 58.26 1t0y s ILE 79 Cb -0.15 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1t0y s ILE 79 CO 0.04 0.25 0.23 -2.28 -1.23 0.00 0.00 174.94 171.94 1t0y s HIS 80 N 1.67 3.23 -0.13 3.97 5.65 0.21 0.08 115.29 129.96 1t0y s HIS 80 Ca 0.06 0.18 -0.05 0.00 0.25 0.00 0.00 55.06 55.51 1t0y s HIS 80 Cb -0.16 -2.41 -0.04 0.00 -1.18 0.00 0.00 32.58 28.79 1t0y s HIS 80 CO 0.07 -0.16 0.05 0.00 -0.65 0.00 0.00 174.74 174.04 1t0y s ALA 81 N 1.79 3.42 -0.14 1.58 0.00 0.29 -0.51 121.76 128.18 1t0y s ALA 81 Ca 0.09 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1t0y s ALA 81 Cb -0.16 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.26 1t0y s ALA 81 CO 0.10 0.41 0.37 0.54 0.00 0.00 0.00 175.76 177.18 1t0y s VAL 82 N -0.33 -0.00 -0.30 0.00 0.11 -0.99 -2.46 120.40 116.42 1t0y s VAL 82 Ca 0.08 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.96 1t0y s VAL 82 Cb -0.12 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1t0y s VAL 82 CO 0.02 0.01 0.55 1.51 -3.33 0.00 0.00 175.10 173.85 1t0y s ASP 83 N 0.34 6.42 0.00 3.54 -4.77 -1.26 -0.62 116.67 120.32 1t0y s ASP 83 Ca -0.01 0.35 0.18 0.00 -3.30 0.00 0.00 52.55 49.76 1t0y s ASP 83 Cb -0.03 -2.29 0.85 0.00 -1.09 0.00 0.00 42.92 40.35 1t0y s ASP 83 CO -0.01 -0.40 1.55 1.33 0.70 0.00 0.00 175.17 178.35 1t0y n VAL 84 N 5.31 0.59 0.25 2.11 0.24 0.36 -2.61 118.33 124.58 1t0y n VAL 84 Ca -0.03 0.15 0.12 0.00 -2.04 0.00 0.00 64.34 62.53 1t0y n VAL 84 Cb 0.49 -0.85 0.66 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.00 0.60 -0.01 3.34 2.02 -1.92 -2.06 112.91 114.89 1t0y h THR 85 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1t0y h THR 85 Cb 0.22 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1t0y h THR 85 CO 0.00 0.15 -0.18 0.61 0.37 0.00 0.00 175.52 176.47 1t0y n GLY 86 N -0.52 -0.82 3.62 2.16 0.00 -1.07 -4.90 105.19 103.66 1t0y n GLY 86 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.31 1.95 3.91 -0.02 0.00 -0.77 -4.96 105.19 106.60 1t0y n GLY 87 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1t0y n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t0y s ASN 88 N -3.31 6.38 -1.76 1.61 4.22 -1.26 -4.39 114.94 116.43 1t0y s ASN 88 Ca 0.00 0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.06 1t0y s ASN 88 Cb 0.00 -2.00 0.00 0.00 1.28 0.00 0.00 41.25 40.53 1t0y s ASN 88 CO 0.00 0.22 0.00 -0.62 -2.04 0.00 0.00 177.10 174.66 1t0y n GLU 89 N 0.66 -1.36 0.00 3.55 -0.58 -1.26 -4.78 120.64 116.87 1t0y n GLU 89 Ca -0.08 1.02 0.16 0.00 -0.42 0.00 0.00 57.16 57.84 1t0y n GLU 89 Cb 0.52 -5.41 0.94 0.00 -0.57 0.00 0.00 31.44 26.92 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18