#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 4.04 -1.05 2.03 -4.23 -1.26 -4.89 115.64 110.27 1t0y s THR 2 Ca 0.00 1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 61.61 1t0y s THR 2 Cb 0.00 -4.18 0.31 0.00 1.34 0.00 0.00 72.50 69.98 1t0y s THR 2 CO 0.00 -0.60 1.57 1.21 -0.54 0.00 0.00 174.62 176.26 1t0y n GLU 3 N 7.64 4.72 -3.97 3.99 2.13 -1.26 -4.89 120.64 129.01 1t0y n GLU 3 Ca 0.15 -4.60 -0.09 0.00 0.66 0.00 0.00 57.16 53.29 1t0y n GLU 3 Cb 0.47 -2.49 -0.11 0.00 0.27 0.00 0.00 31.44 29.58 1t0y n GLU 3 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1t0y s VAL 4 N -3.25 0.10 -0.00 6.31 -7.23 -1.26 -0.35 120.40 114.71 1t0y s VAL 4 Ca 0.34 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 1t0y s VAL 4 Cb 0.09 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.78 1t0y s VAL 4 CO 0.04 -0.45 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.86 1t0y s TYR 5 N -1.31 1.87 -0.33 2.82 2.02 0.55 -4.81 117.35 118.16 1t0y s TYR 5 Ca -0.14 -0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 1t0y s TYR 5 Cb -0.09 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1t0y s TYR 5 CO -0.01 0.00 0.40 -0.51 -1.57 0.00 0.00 175.55 173.87 1t0y s ASP 6 N -0.67 6.23 0.17 2.29 1.01 -1.26 -0.51 116.67 123.93 1t0y s ASP 6 Ca 0.08 -0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.28 1t0y s ASP 6 Cb -0.08 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 1t0y s ASP 6 CO -0.00 -0.35 0.27 -0.76 0.21 0.00 0.00 175.17 174.53 1t0y s LEU 7 N 2.13 4.21 -0.28 1.23 1.02 0.96 -1.21 118.68 126.73 1t0y s LEU 7 Ca 0.14 0.07 -0.05 0.00 0.02 0.00 0.00 54.13 54.31 1t0y s LEU 7 Cb -0.16 -2.78 0.01 0.00 0.02 0.00 0.00 46.19 43.29 1t0y s LEU 7 CO 0.12 0.03 0.04 -0.70 0.02 0.00 0.00 176.35 175.86 1t0y s GLU 8 N -3.38 3.00 -0.21 1.70 2.12 -0.85 -1.96 118.70 119.13 1t0y s GLU 8 Ca 0.34 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.66 1t0y s GLU 8 Cb -0.10 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1t0y s GLU 8 CO 0.27 -0.44 0.16 0.42 -0.54 0.00 0.00 175.26 175.13 1t0y s ILE 9 N 1.45 5.39 0.14 -3.70 1.09 0.17 -0.27 121.20 125.46 1t0y s ILE 9 Ca 0.02 0.23 0.11 0.00 -1.10 0.00 0.00 60.65 59.91 1t0y s ILE 9 Cb -0.17 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 1t0y s ILE 9 CO 0.01 0.41 -0.26 0.42 -0.10 0.00 0.00 174.94 175.42 1t0y s THR 10 N 0.54 2.25 0.06 2.92 -4.23 0.11 -0.46 115.64 116.83 1t0y s THR 10 Ca 0.09 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1t0y s THR 10 Cb -0.12 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 1t0y s THR 10 CO 0.00 0.05 0.06 -0.89 -0.54 0.00 0.00 174.62 173.31 1t0y s THR 11 N -1.16 0.18 0.42 3.99 2.01 -1.26 0.44 115.64 120.26 1t0y s THR 11 Ca 0.15 -1.49 0.19 0.00 0.31 0.00 0.00 61.69 60.84 1t0y s THR 11 Cb -0.10 -1.37 0.39 0.00 0.01 0.00 0.00 72.50 71.44 1t0y s THR 11 CO 0.06 -0.83 1.82 -1.13 -0.69 0.00 0.00 174.62 173.86 1t0y h ASN 12 N 3.08 0.41 0.00 3.53 -1.24 -1.21 -2.56 115.58 117.59 1t0y h ASN 12 Ca -0.34 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1t0y h ASN 12 Cb 1.17 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1t0y h ASN 12 CO 0.60 0.13 -0.11 0.00 -1.29 0.00 0.00 177.43 176.76 1t0y n ALA 13 N -2.51 1.96 -3.25 1.57 0.00 -1.26 -4.16 120.51 112.86 1t0y n ALA 13 Ca 0.22 -1.57 -0.32 0.00 0.00 0.00 0.00 53.44 51.77 1t0y n ALA 13 Cb 0.80 -0.26 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.38 2.40 -0.14 0.00 -4.23 -0.96 -4.97 115.64 106.36 1t0y s THR 14 Ca 0.13 -0.89 0.18 0.00 -1.18 0.00 0.00 61.69 59.92 1t0y s THR 14 Cb 0.11 -1.96 -0.12 0.00 1.34 0.00 0.00 72.50 71.87 1t0y s THR 14 CO 0.01 0.54 0.84 -0.67 -0.54 0.00 0.00 174.62 174.81 1t0y n ASP 15 N 3.63 0.85 -4.65 3.99 2.03 -1.26 -4.19 116.55 116.95 1t0y n ASP 15 Ca -0.19 0.37 -0.39 0.00 0.52 0.00 0.00 54.79 55.10 1t0y n ASP 15 Cb 0.53 0.21 -0.07 0.00 -0.72 0.00 0.00 41.12 41.06 1t0y n ASP 15 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1t0y s PHE 16 N -2.98 3.33 0.37 -0.67 5.36 -1.26 -5.06 117.98 117.08 1t0y s PHE 16 Ca -0.03 0.64 -0.24 0.00 -0.96 0.00 0.00 56.93 56.34 1t0y s PHE 16 Cb 0.09 -2.61 -0.10 0.00 -0.34 0.00 0.00 43.02 40.05 1t0y s PHE 16 CO 0.81 -0.12 0.95 -1.25 -1.46 0.00 0.00 175.22 174.15 1t0y s PRO 17 N 1.70 4.41 -0.09 10.12 0.04 -1.26 -4.86 135.00 145.07 1t0y s PRO 17 Ca 0.20 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1t0y s PRO 17 Cb -0.15 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1t0y s PRO 17 CO 0.09 0.13 -0.07 1.41 0.04 0.00 0.00 177.00 178.59 1t0y s MET 18 N -2.59 2.95 -0.20 4.56 1.75 0.39 -4.87 119.30 121.28 1t0y s MET 18 Ca 0.56 -0.57 -0.08 0.00 -1.25 0.00 0.00 55.69 54.35 1t0y s MET 18 Cb -0.14 -2.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.85 1t0y s MET 18 CO 0.19 0.55 0.09 -1.83 -0.65 0.00 0.00 175.02 173.36 1t0y s GLU 19 N -0.49 3.99 0.01 4.11 -1.05 -1.26 0.42 118.70 124.42 1t0y s GLU 19 Ca 0.07 -0.33 -0.03 0.00 -0.15 0.00 0.00 54.97 54.53 1t0y s GLU 19 Cb -0.12 -3.31 -0.01 0.00 -0.44 0.00 0.00 34.13 30.25 1t0y s GLU 19 CO 0.02 0.19 0.05 0.15 0.95 0.00 0.00 175.26 176.61 1t0y s LYS 20 N 0.63 0.39 -0.19 -4.83 -0.14 -0.83 -4.98 119.74 109.80 1t0y s LYS 20 Ca 0.05 -0.53 -0.08 0.00 -1.36 0.00 0.00 55.97 54.05 1t0y s LYS 20 Cb -0.13 0.15 -0.04 0.00 -1.68 0.00 0.00 37.83 36.13 1t0y s LYS 20 CO 0.01 -0.08 0.08 0.21 -0.76 0.00 0.00 175.35 174.81 1t0y s LYS 21 N -1.47 4.05 -0.01 1.68 2.20 -1.26 -0.03 119.74 124.89 1t0y s LYS 21 Ca -0.15 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1t0y s LYS 21 Cb -0.09 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1t0y s LYS 21 CO 0.00 0.29 -0.04 0.71 -0.36 0.00 0.00 175.35 175.95 1t0y s TYR 22 N 0.36 0.47 0.39 4.03 2.02 0.33 -4.96 117.35 119.99 1t0y s TYR 22 Ca 0.05 -0.09 -0.27 0.00 -0.37 0.00 0.00 57.07 56.38 1t0y s TYR 22 Cb -0.12 -0.37 -0.10 0.00 -0.40 0.00 0.00 41.96 40.97 1t0y s TYR 22 CO -0.01 -0.06 1.47 -2.14 -1.57 0.00 0.00 175.55 173.25 1t0y s PRO 23 N 0.25 4.01 0.55 -1.71 0.02 -1.26 -0.33 135.00 136.52 1t0y s PRO 23 Ca -0.03 2.53 0.32 0.00 0.02 0.00 0.00 61.00 63.84 1t0y s PRO 23 Cb -0.06 -2.89 1.60 0.00 0.02 0.00 0.00 34.50 33.16 1t0y s PRO 23 CO -0.00 -0.60 2.10 0.00 -0.33 0.00 0.00 177.00 178.17 1t0y h ALA 24 N 2.84 1.17 -0.08 -1.55 0.00 -1.01 -1.13 119.26 119.50 1t0y h ALA 24 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1t0y h ALA 24 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t0y h ALA 24 CO 0.63 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1t0y n GLY 25 N -0.59 0.18 3.85 0.00 0.00 -1.26 -0.99 105.19 106.38 1t0y n GLY 25 Ca -0.01 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.90 3.89 0.36 1.61 0.00 -0.43 -4.69 119.30 118.14 1t0y s MET 26 Ca 0.35 0.80 -0.17 0.00 0.00 0.00 0.00 55.69 56.68 1t0y s MET 26 Cb 0.20 -2.21 -0.10 0.00 0.00 0.00 0.00 34.83 32.72 1t0y s MET 26 CO 0.30 -0.20 0.81 -1.54 0.00 0.00 0.00 175.02 174.40 1t0y s SER 27 N -3.10 6.84 0.35 1.11 1.04 -1.26 -1.06 113.70 117.61 1t0y s SER 27 Ca 0.56 1.43 0.06 0.00 0.48 0.00 0.00 55.95 58.49 1t0y s SER 27 Cb -0.10 -2.43 0.65 0.00 0.10 0.00 0.00 66.02 64.23 1t0y s SER 27 CO 0.31 -0.25 1.87 0.25 0.98 0.00 0.00 173.24 176.40 1t0y h LEU 28 N 2.16 0.37 -1.31 2.42 5.85 -1.70 -2.68 115.31 120.42 1t0y h LEU 28 Ca -0.48 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 1t0y h LEU 28 Cb 1.18 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1t0y h LEU 28 CO 0.64 0.51 -0.26 0.78 -0.34 0.00 0.00 178.44 179.77 1t0y h ASN 29 N 0.37 0.13 0.39 1.25 2.35 -1.85 0.38 115.58 118.60 1t0y h ASN 29 Ca 0.07 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.57 1t0y h ASN 29 Cb 0.41 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1t0y h ASN 29 CO 0.02 0.39 -0.95 -0.78 -1.65 0.00 0.00 177.43 174.47 1t0y h ASP 30 N 0.12 0.48 -0.32 5.81 3.58 -1.83 -1.43 116.42 122.83 1t0y h ASP 30 Ca 0.02 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.03 1t0y h ASP 30 Cb 0.53 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1t0y h ASP 30 CO 0.04 1.20 0.02 0.25 -2.88 0.00 0.00 179.24 177.86 1t0y h LEU 31 N 0.20 0.53 -0.07 2.28 6.46 -1.01 0.17 115.31 123.88 1t0y h LEU 31 Ca -0.08 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.40 1t0y h LEU 31 Cb 1.59 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 1t0y h LEU 31 CO 0.16 0.70 -0.01 0.11 -0.62 0.00 0.00 178.44 178.77 1t0y h LYS 32 N 0.35 0.01 -0.59 1.25 1.57 -0.26 0.14 116.57 119.05 1t0y h LYS 32 Ca 0.09 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1t0y h LYS 32 Cb 0.41 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1t0y h LYS 32 CO 0.01 0.00 0.39 -0.22 -0.57 0.00 0.00 179.45 179.07 1t0y h LYS 33 N 0.01 0.76 -0.51 3.15 3.64 -0.97 0.73 116.57 123.37 1t0y h LYS 33 Ca 0.03 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1t0y h LYS 33 Cb 0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1t0y h LYS 33 CO -0.06 0.50 0.03 -0.22 -2.27 0.00 0.00 179.45 177.43 1t0y h LYS 34 N 0.78 0.88 -0.55 1.90 1.63 -0.13 -0.82 116.57 120.26 1t0y h LYS 34 Ca 0.22 -0.26 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1t0y h LYS 34 Cb -0.07 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1t0y h LYS 34 CO -0.05 0.89 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.67 1t0y h LEU 35 N 0.75 1.03 -1.77 5.20 3.38 0.62 -2.77 115.31 121.74 1t0y h LEU 35 Ca 0.15 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1t0y h LEU 35 Cb 0.48 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1t0y h LEU 35 CO 0.02 1.13 -0.09 -0.33 0.09 0.00 0.00 178.44 179.26 1t0y h GLU 36 N 0.91 0.03 0.00 1.13 4.39 0.71 0.60 114.58 122.35 1t0y h GLU 36 Ca 0.14 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1t0y h GLU 36 Cb 0.66 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1t0y h GLU 36 CO 0.05 0.12 -0.16 1.25 -1.16 0.00 0.00 179.01 179.11 1t0y h LEU 37 N 0.03 0.00 0.12 1.33 5.85 -0.86 0.56 115.31 122.34 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 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1t0y h LEU 37 CO 0.01 0.16 -1.86 0.58 -0.34 0.00 0.00 178.44 176.99 1t0y h VAL 38 N 0.00 0.71 0.00 1.05 2.07 -0.66 -3.38 116.25 116.04 1t0y h VAL 38 Ca -0.00 -2.35 -0.16 0.00 0.82 0.00 0.00 66.70 65.01 1t0y h VAL 38 Cb 0.30 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1t0y h VAL 38 CO 0.02 0.83 -0.78 0.58 0.02 0.00 0.00 177.57 178.23 1t0y h VAL 39 N -0.06 1.37 0.00 2.57 2.07 0.16 -3.47 116.25 118.89 1t0y h VAL 39 Ca -0.40 -2.88 0.00 0.00 0.82 0.00 0.00 66.70 64.24 1t0y h VAL 39 Cb 1.95 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 34.36 1t0y h VAL 39 CO 0.07 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1t0y n GLY 40 N 1.24 1.56 3.96 2.17 0.00 0.19 -5.03 105.19 109.28 1t0y n GLY 40 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1t0y n GLY 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t0y n THR 41 N -2.00 0.00 -3.99 2.61 -1.04 -1.24 -5.00 114.28 103.62 1t0y n THR 41 Ca 0.00 -1.52 -0.26 0.00 -2.04 0.00 0.00 64.05 60.23 1t0y n THR 41 Cb 0.00 -0.97 -0.04 0.00 -1.82 0.00 0.00 70.33 67.50 1t0y n THR 41 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1t0y s THR 42 N -3.28 5.06 0.47 12.58 -4.23 -1.26 -4.73 115.64 120.26 1t0y s THR 42 Ca 0.69 -0.81 0.14 0.00 -1.18 0.00 0.00 61.69 60.53 1t0y s THR 42 Cb -0.04 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.50 1t0y s THR 42 CO 0.46 -0.10 2.07 0.58 -0.54 0.00 0.00 174.62 177.10 1t0y h VAL 43 N 1.76 0.98 -0.37 2.29 2.07 -1.91 -0.60 116.25 120.47 1t0y h VAL 43 Ca -0.48 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 1t0y h VAL 43 Cb 1.20 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1t0y h VAL 43 CO 0.67 0.05 -0.27 -0.78 0.02 0.00 0.00 177.57 177.25 1t0y h ASP 44 N 0.26 0.79 0.21 0.57 3.58 -2.01 -2.73 116.42 117.09 1t0y h ASP 44 Ca 0.13 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1t0y h ASP 44 Cb 0.21 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1t0y h ASP 44 CO -0.03 1.02 -0.10 -1.20 -2.88 0.00 0.00 179.24 176.06 1t0y n SER 45 N -4.09 0.73 -4.71 2.28 7.64 -0.30 -4.77 113.62 110.40 1t0y n SER 45 Ca -0.00 -0.89 -0.37 0.00 1.01 0.00 0.00 58.87 58.62 1t0y n SER 45 Cb 0.46 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.57 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 -2.31 4.21 0.01 1.43 -2.45 -0.79 -0.77 119.30 118.62 1t0y s MET 46 Ca 0.33 0.03 0.06 0.00 -1.25 0.00 0.00 55.69 54.86 1t0y s MET 46 Cb 0.20 -3.47 -0.02 0.00 1.25 0.00 0.00 34.83 32.80 1t0y s MET 46 CO 0.44 0.16 -0.19 0.50 1.05 0.00 0.00 175.02 176.98 1t0y s ARG 47 N 0.72 1.43 -0.06 4.11 3.52 0.12 -4.93 118.95 123.86 1t0y s ARG 47 Ca 0.15 -0.77 0.05 0.00 -0.13 0.00 0.00 55.73 55.03 1t0y s ARG 47 Cb -0.13 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.80 1t0y s ARG 47 CO 0.04 0.38 -0.23 0.42 -0.81 0.00 0.00 175.30 175.10 1t0y s ILE 48 N -0.60 1.92 -0.03 4.11 1.01 -1.26 -0.76 121.20 125.60 1t0y s ILE 48 Ca 0.07 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.81 1t0y s ILE 48 Cb -0.08 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1t0y s ILE 48 CO 0.00 0.54 -0.25 -1.10 0.00 0.00 0.00 174.94 174.12 1t0y s GLN 49 N -0.05 2.18 -0.16 2.79 -0.21 0.15 -2.69 119.66 121.67 1t0y s GLN 49 Ca -0.06 -0.92 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 1t0y s GLN 49 Cb -0.14 -2.07 -0.01 0.00 1.00 0.00 0.00 33.01 31.79 1t0y s GLN 49 CO 0.04 0.54 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.48 1t0y s LEU 50 N -0.57 2.79 -0.04 2.90 0.20 -0.96 0.56 118.68 123.56 1t0y s LEU 50 Ca 0.09 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.62 1t0y s LEU 50 Cb -0.10 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 1t0y s LEU 50 CO -0.00 0.10 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.58 1t0y s PHE 51 N 0.73 2.47 0.00 5.38 0.40 -0.46 -0.80 117.98 125.70 1t0y s PHE 51 Ca -0.05 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1t0y s PHE 51 Cb -0.15 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1t0y s PHE 51 CO 0.02 -0.04 0.00 -0.40 0.70 0.00 0.00 175.22 175.50 1t0y n ASP 52 N 2.58 0.00 0.05 1.36 5.75 -1.24 -1.44 116.55 123.61 1t0y n ASP 52 Ca -0.17 -0.84 -0.11 0.00 -0.01 0.00 0.00 54.79 53.66 1t0y n ASP 52 Cb 0.52 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.55 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1t0y h GLY 53 N 0.00 -0.11 -5.47 6.12 0.00 -1.92 -3.42 103.07 98.26 1t0y h GLY 53 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1t0y h GLY 53 CO 0.00 -0.10 -0.34 -0.35 0.00 0.00 0.00 176.54 175.75 1t0y s ASP 54 N -5.06 -1.08 0.00 0.19 2.15 -1.26 -4.92 116.67 106.69 1t0y s ASP 54 Ca -0.14 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.05 1t0y s ASP 54 Cb 0.08 1.39 0.00 0.00 -0.30 0.00 0.00 42.92 44.09 1t0y s ASP 54 CO 0.67 -0.09 0.24 -0.67 -0.17 0.00 0.00 175.17 175.14 1t0y n ASP 55 N 3.71 0.00 -0.50 -0.34 2.03 -1.26 -5.15 116.55 115.03 1t0y n ASP 55 Ca 0.11 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.82 1t0y n ASP 55 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.00 0.00 -1.70 -0.67 1.13 -1.26 -4.77 117.38 110.11 1t0y n GLN 56 Ca 0.00 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.62 1t0y n GLN 56 Cb 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.62 1t0y n GLN 56 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1t0y n LEU 57 N 0.00 3.68 0.03 1.08 7.94 -1.26 -3.63 117.00 124.84 1t0y n LEU 57 Ca 0.00 1.11 -0.21 0.00 -1.11 0.00 0.00 56.01 55.80 1t0y n LEU 57 Cb 0.00 -1.51 -0.14 0.00 0.53 0.00 0.00 43.42 42.30 1t0y n LEU 57 CO 0.00 -0.09 -0.20 0.11 -1.11 0.00 0.00 177.39 176.10 1t0y h LYS 58 N 5.42 0.28 0.00 1.96 1.79 -1.27 -3.49 116.57 121.26 1t0y h LYS 58 Ca -0.45 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 57.54 1t0y h LYS 58 Cb 1.24 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1t0y h LYS 58 CO 0.85 1.23 0.00 0.41 -1.08 0.00 0.00 179.45 180.86 1t0y n GLY 59 N 1.70 -1.17 3.23 3.86 0.00 -1.25 -5.05 105.19 106.53 1t0y n GLY 59 Ca -0.20 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.61 2.96 0.00 1.61 2.12 -1.26 -2.26 118.70 120.26 1t0y s GLU 60 Ca 0.00 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1t0y s GLU 60 Cb 0.00 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1t0y s GLU 60 CO 0.00 -0.36 0.00 1.47 -0.54 0.00 0.00 175.26 175.83 1t0y n LEU 61 N 4.71 0.00 0.00 2.70 -0.00 -1.09 -4.96 117.00 118.36 1t0y n LEU 61 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1t0y n LEU 61 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1t0y n LEU 61 CO 0.28 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.74 1t0y n THR 62 N 0.00 0.00 0.00 1.47 5.66 -1.26 -4.92 114.28 115.23 1t0y n THR 62 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t0y n THR 62 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1t0y n THR 62 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1t0y n ASP 63 N -0.01 0.00 0.00 1.09 9.92 -1.26 -4.86 116.55 121.43 1t0y n ASP 63 Ca 0.00 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1t0y n ASP 63 Cb 0.01 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1t0y n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t0y n GLY 64 N -0.76 0.69 0.00 0.44 0.00 -1.26 -4.74 105.19 99.56 1t0y n GLY 64 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.93 2.60 -2.64 4.61 0.00 -1.26 -4.06 120.51 120.69 1t0y n ALA 65 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1t0y n ALA 65 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 1t0y n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1t0y s LYS 66 N -2.00 1.89 0.75 0.00 -2.85 -1.26 -5.11 119.74 111.16 1t0y s LYS 66 Ca 0.30 -1.90 -0.09 0.00 -1.00 0.00 0.00 55.97 53.27 1t0y s LYS 66 Cb 0.14 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 36.37 1t0y s LYS 66 CO 0.23 -0.75 1.09 -1.54 0.10 0.00 0.00 175.35 174.47 1t0y s SER 67 N -3.31 4.74 0.38 0.03 1.04 -1.26 -3.65 113.70 111.67 1t0y s SER 67 Ca 0.35 0.65 0.11 0.00 0.48 0.00 0.00 55.95 57.54 1t0y s SER 67 Cb 0.01 -1.25 0.76 0.00 0.10 0.00 0.00 66.02 65.63 1t0y s SER 67 CO 0.24 -1.70 1.87 -0.07 0.98 0.00 0.00 173.24 174.56 1t0y h LEU 68 N -0.79 0.11 -0.38 2.42 3.38 -0.33 -1.23 115.31 118.49 1t0y h LEU 68 Ca -0.45 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 1t0y h LEU 68 Cb 1.32 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1t0y h LEU 68 CO 0.63 0.38 -0.29 0.50 0.09 0.00 0.00 178.44 179.75 1t0y h LYS 69 N 0.10 0.86 0.00 1.13 3.11 -1.27 0.51 116.57 121.02 1t0y h LYS 69 Ca 0.02 -0.42 -0.16 0.00 -2.81 0.00 0.00 60.65 57.28 1t0y h LYS 69 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1t0y h LYS 69 CO 0.04 1.07 -0.74 0.22 -2.81 0.00 0.00 179.45 177.23 1t0y h ASP 70 N 0.67 0.00 1.05 4.20 1.82 -1.72 -2.89 116.42 119.55 1t0y h ASP 70 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1t0y h ASP 70 Cb 0.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1t0y h ASP 70 CO 0.08 0.74 0.00 0.18 -1.61 0.00 0.00 179.24 178.63 1t0y n LEU 71 N -3.64 0.61 0.00 2.28 4.77 -0.50 -4.89 117.00 115.62 1t0y n LEU 71 Ca -0.01 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1t0y n LEU 71 Cb 0.72 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1t0y n LEU 71 CO 0.44 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1t0y n GLY 72 N 0.71 0.53 3.65 -0.72 0.00 -0.76 -5.02 105.19 103.59 1t0y n GLY 72 Ca 0.04 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 4.84 0.49 1.61 1.01 0.10 -5.02 120.40 121.42 1t0y s VAL 73 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.61 1t0y s VAL 73 Cb 0.00 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1t0y s VAL 73 CO 0.00 -0.05 0.04 0.54 0.00 0.00 0.00 175.10 175.63 1t0y n ARG 74 N 5.80 0.71 -2.52 2.72 5.12 -1.26 -4.40 116.66 122.82 1t0y n ARG 74 Ca 0.06 -3.68 -0.39 0.00 -1.93 0.00 0.00 57.85 51.90 1t0y n ARG 74 Cb 0.48 1.25 -0.04 0.00 -1.16 0.00 0.00 32.46 32.99 1t0y n ARG 74 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1t0y s ASP 75 N -3.75 7.12 0.00 0.55 -1.08 -1.26 -3.10 116.67 115.15 1t0y s ASP 75 Ca 0.06 2.16 0.00 0.00 -0.52 0.00 0.00 52.55 54.25 1t0y s ASP 75 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1t0y s ASP 75 CO 0.04 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.10 1t0y n GLY 76 N 0.91 1.40 3.87 2.66 0.00 -0.35 -4.96 105.19 108.71 1t0y n GLY 76 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.70 3.42 -0.15 1.61 1.51 -1.18 -4.73 117.35 114.13 1t0y s TYR 77 Ca 0.00 1.06 -0.05 0.00 -1.01 0.00 0.00 57.07 57.06 1t0y s TYR 77 Cb 0.00 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 1t0y s TYR 77 CO 0.00 0.05 0.03 -0.98 -1.11 0.00 0.00 175.55 173.55 1t0y s ARG 78 N -3.32 3.68 -0.27 -0.62 1.70 -0.52 -2.00 118.95 117.60 1t0y s ARG 78 Ca 0.51 -0.38 -0.10 0.00 -0.47 0.00 0.00 55.73 55.29 1t0y s ARG 78 Cb -0.10 -3.07 -0.05 0.00 -0.57 0.00 0.00 34.95 31.16 1t0y s ARG 78 CO 0.24 0.39 0.16 0.42 -1.08 0.00 0.00 175.30 175.43 1t0y s ILE 79 N 0.02 5.13 -0.31 4.99 -1.09 0.63 -1.35 121.20 129.21 1t0y s ILE 79 Ca 0.04 0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.44 1t0y s ILE 79 Cb -0.12 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1t0y s ILE 79 CO 0.01 0.28 0.29 -2.28 -1.23 0.00 0.00 174.94 172.02 1t0y s HIS 80 N 1.63 3.22 -0.13 3.97 5.65 0.19 0.08 115.29 129.90 1t0y s HIS 80 Ca 0.07 0.05 -0.09 0.00 0.25 0.00 0.00 55.06 55.34 1t0y s HIS 80 Cb -0.15 -2.54 -0.04 0.00 -1.18 0.00 0.00 32.58 28.67 1t0y s HIS 80 CO 0.09 -0.31 0.18 0.00 -0.65 0.00 0.00 174.74 174.04 1t0y s ALA 81 N 1.90 3.79 -0.06 1.58 0.00 0.17 -0.67 121.76 128.46 1t0y s ALA 81 Ca 0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1t0y s ALA 81 Cb -0.16 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.89 1t0y s ALA 81 CO 0.11 0.44 0.14 0.54 0.00 0.00 0.00 175.76 176.99 1t0y s VAL 82 N -0.54 -0.04 -0.15 0.00 0.11 0.06 -0.55 120.40 119.29 1t0y s VAL 82 Ca 0.14 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.16 1t0y s VAL 82 Cb -0.12 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1t0y s VAL 82 CO 0.03 0.05 0.41 1.51 -3.33 0.00 0.00 175.10 173.78 1t0y s ASP 83 N 0.86 6.55 0.00 3.54 -4.77 -1.26 0.12 116.67 121.72 1t0y s ASP 83 Ca -0.07 0.66 0.28 0.00 -3.30 0.00 0.00 52.55 50.12 1t0y s ASP 83 Cb -0.09 -2.25 1.10 0.00 -1.09 0.00 0.00 42.92 40.60 1t0y s ASP 83 CO -0.04 0.00 1.82 1.33 0.70 0.00 0.00 175.17 178.98 1t0y n VAL 84 N 3.83 0.00 0.03 2.11 0.24 0.05 -3.64 118.33 120.96 1t0y n VAL 84 Ca -0.09 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 1t0y n VAL 84 Cb 0.51 -0.26 -0.13 0.00 -1.47 0.00 0.00 33.84 32.49 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 0.10 1.27 -0.02 3.34 2.02 -1.93 -3.31 112.91 114.38 1t0y h THR 85 Ca 0.00 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.17 1t0y h THR 85 Cb 0.45 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1t0y h THR 85 CO 0.00 0.78 -0.17 0.61 0.37 0.00 0.00 175.52 177.11 1t0y n GLY 86 N 1.51 0.65 7.00 2.16 0.00 -1.25 -5.05 105.19 110.22 1t0y n GLY 86 Ca -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.37 2.40 3.62 -0.02 0.00 -1.24 -4.16 105.19 107.16 1t0y n GLY 87 Ca 0.12 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.00 6.11 -0.31 1.61 0.02 -1.26 -4.69 114.94 112.41 1t0y s ASN 88 Ca 0.00 0.10 -0.12 0.00 -1.02 0.00 0.00 52.86 51.82 1t0y s ASN 88 Cb 0.00 -2.14 0.02 0.00 0.02 0.00 0.00 41.25 39.15 1t0y s ASN 88 CO 0.00 -0.04 0.30 -0.62 0.02 0.00 0.00 177.10 176.76 1t0y n GLU 89 N 4.85 -2.26 0.00 -0.60 1.02 -1.26 -5.08 120.64 117.30 1t0y n GLU 89 Ca -0.13 1.96 0.13 0.00 -0.02 0.00 0.00 57.16 59.09 1t0y n GLU 89 Cb 0.52 -4.01 0.25 0.00 -0.02 0.00 0.00 31.44 28.18 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84