#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 4.83 -0.26 1.12 -4.23 -1.26 -4.96 115.64 110.88 1t0y s THR 2 Ca 0.00 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1t0y s THR 2 Cb 0.00 -4.19 0.14 0.00 1.34 0.00 0.00 72.50 69.79 1t0y s THR 2 CO 0.00 -0.55 0.38 -1.61 -0.54 0.00 0.00 174.62 172.30 1t0y s GLU 3 N 2.83 0.36 0.07 3.99 2.02 -1.26 -5.07 118.70 121.64 1t0y s GLU 3 Ca 0.23 0.37 0.05 0.00 0.02 0.00 0.00 54.97 55.65 1t0y s GLU 3 Cb -0.14 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.61 1t0y s GLU 3 CO 0.18 -0.78 -0.15 0.14 0.02 0.00 0.00 175.26 174.68 1t0y s VAL 4 N 2.53 1.16 -0.07 2.63 -7.23 -1.26 0.33 120.40 118.49 1t0y s VAL 4 Ca 0.12 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 59.05 1t0y s VAL 4 Cb -0.14 -1.10 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 1t0y s VAL 4 CO -0.21 -0.18 -0.22 -0.72 -0.31 0.00 0.00 175.10 173.46 1t0y s TYR 5 N -1.21 2.20 -0.33 2.82 -0.85 0.96 -4.75 117.35 116.19 1t0y s TYR 5 Ca -0.01 -0.74 -0.15 0.00 -0.52 0.00 0.00 57.07 55.65 1t0y s TYR 5 Cb -0.10 -1.47 -0.02 0.00 0.38 0.00 0.00 41.96 40.76 1t0y s TYR 5 CO 0.02 -0.27 0.35 0.34 -1.52 0.00 0.00 175.55 174.48 1t0y s ASP 6 N 0.11 6.17 0.19 -0.18 -1.08 -1.26 -1.45 116.67 119.17 1t0y s ASP 6 Ca -0.09 -0.19 0.08 0.00 -0.52 0.00 0.00 52.55 51.83 1t0y s ASP 6 Cb -0.15 -2.19 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 1t0y s ASP 6 CO 0.05 -0.31 -0.17 -1.48 0.52 0.00 0.00 175.17 173.78 1t0y s LEU 7 N 2.00 2.50 -0.29 -1.34 0.05 0.39 0.40 118.68 122.39 1t0y s LEU 7 Ca 0.12 -0.95 -0.06 0.00 0.05 0.00 0.00 54.13 53.29 1t0y s LEU 7 Cb -0.16 -0.78 0.01 0.00 -2.05 0.00 0.00 46.19 43.20 1t0y s LEU 7 CO 0.11 -0.09 0.07 -0.70 -0.55 0.00 0.00 176.35 175.20 1t0y s GLU 8 N -3.23 3.06 -0.16 1.48 2.12 -0.21 -1.06 118.70 120.70 1t0y s GLU 8 Ca 0.20 -0.88 -0.14 0.00 0.36 0.00 0.00 54.97 54.51 1t0y s GLU 8 Cb -0.03 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1t0y s GLU 8 CO 0.07 -0.45 0.31 0.42 -0.54 0.00 0.00 175.26 175.08 1t0y s ILE 9 N 1.48 5.30 0.04 -3.70 -1.09 0.12 0.37 121.20 123.72 1t0y s ILE 9 Ca 0.02 0.58 0.08 0.00 -2.23 0.00 0.00 60.65 59.10 1t0y s ILE 9 Cb -0.17 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1t0y s ILE 9 CO 0.02 0.38 -0.24 0.42 -1.23 0.00 0.00 174.94 174.30 1t0y s THR 10 N 0.48 1.92 0.07 2.92 -4.23 0.14 0.01 115.64 116.94 1t0y s THR 10 Ca 0.17 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 1t0y s THR 10 Cb -0.13 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1t0y s THR 10 CO 0.04 0.31 0.01 -0.89 -0.54 0.00 0.00 174.62 173.55 1t0y s THR 11 N -0.78 0.19 0.40 3.99 2.01 -1.26 0.17 115.64 120.36 1t0y s THR 11 Ca 0.10 -1.76 0.09 0.00 0.31 0.00 0.00 61.69 60.43 1t0y s THR 11 Cb -0.09 -1.59 0.30 0.00 0.01 0.00 0.00 72.50 71.13 1t0y s THR 11 CO 0.02 -0.88 1.98 -1.13 -0.69 0.00 0.00 174.62 173.93 1t0y h ASN 12 N 3.06 0.52 -0.26 3.53 -1.24 -1.43 -2.79 115.58 116.98 1t0y h ASN 12 Ca -0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.67 1t0y h ASN 12 Cb 1.16 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1t0y h ASN 12 CO 0.64 0.34 0.00 0.00 -1.29 0.00 0.00 177.43 177.11 1t0y n ALA 13 N -2.48 2.17 -2.59 1.57 0.00 -1.26 -3.73 120.51 114.18 1t0y n ALA 13 Ca 0.09 -1.08 -0.33 0.00 0.00 0.00 0.00 53.44 52.13 1t0y n ALA 13 Cb 0.25 -0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.98 2.92 -0.08 0.00 -4.23 -1.05 -4.82 115.64 107.40 1t0y s THR 14 Ca 0.18 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1t0y s THR 14 Cb 0.10 -2.15 -0.26 0.00 1.34 0.00 0.00 72.50 71.53 1t0y s THR 14 CO 0.13 0.58 0.53 -0.78 -0.54 0.00 0.00 174.62 174.53 1t0y h ASP 15 N 5.64 0.34 -2.97 3.99 3.58 -1.93 -3.40 116.42 121.67 1t0y h ASP 15 Ca -0.42 -0.68 -0.62 0.00 0.42 0.00 0.00 57.03 55.73 1t0y h ASP 15 Cb 1.16 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 42.04 1t0y h ASP 15 CO 0.51 1.61 -0.26 -0.36 -2.88 0.00 0.00 179.24 177.85 1t0y s PHE 16 N -2.58 3.68 0.30 0.28 0.40 -1.26 -5.06 117.98 113.74 1t0y s PHE 16 Ca -0.16 0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 56.76 1t0y s PHE 16 Cb 0.07 -2.23 -0.10 0.00 0.51 0.00 0.00 43.02 41.27 1t0y s PHE 16 CO 0.80 0.62 1.16 -2.14 0.70 0.00 0.00 175.22 176.37 1t0y s PRO 17 N -0.91 4.53 -0.25 0.24 0.02 -1.26 -4.84 135.00 132.53 1t0y s PRO 17 Ca 0.22 1.93 -0.09 0.00 0.02 0.00 0.00 61.00 63.07 1t0y s PRO 17 Cb -0.15 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1t0y s PRO 17 CO 0.11 0.07 0.13 -1.64 -0.33 0.00 0.00 177.00 175.33 1t0y s MET 18 N -1.59 3.87 -0.24 5.54 -1.94 0.10 -4.87 119.30 120.17 1t0y s MET 18 Ca 0.46 -0.37 -0.18 0.00 -1.71 0.00 0.00 55.69 53.89 1t0y s MET 18 Cb -0.34 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.01 1t0y s MET 18 CO 0.44 -0.08 0.53 -1.21 -0.01 0.00 0.00 175.02 174.70 1t0y s GLU 19 N 1.39 4.11 -0.01 2.03 2.02 -1.26 0.16 118.70 127.14 1t0y s GLU 19 Ca 0.06 0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.45 1t0y s GLU 19 Cb -0.15 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.45 1t0y s GLU 19 CO 0.06 -0.31 -0.06 0.15 0.02 0.00 0.00 175.26 175.12 1t0y s LYS 20 N 2.16 0.59 -0.24 1.61 -0.14 -0.22 -4.99 119.74 118.51 1t0y s LYS 20 Ca 0.23 -0.22 -0.01 0.00 -1.36 0.00 0.00 55.97 54.61 1t0y s LYS 20 Cb -0.16 -0.57 0.02 0.00 -1.68 0.00 0.00 37.83 35.44 1t0y s LYS 20 CO 0.09 0.11 -0.08 0.21 -0.76 0.00 0.00 175.35 174.92 1t0y s LYS 21 N 0.02 2.89 0.15 1.68 2.20 -1.26 -0.47 119.74 124.96 1t0y s LYS 21 Ca 0.00 -0.93 0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1t0y s LYS 21 Cb -0.05 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 1t0y s LYS 21 CO -0.00 -0.36 -0.10 0.71 -0.36 0.00 0.00 175.35 175.25 1t0y s TYR 22 N 1.33 1.28 0.41 4.03 2.02 -0.53 -4.91 117.35 120.97 1t0y s TYR 22 Ca 0.01 -0.77 -0.26 0.00 -0.37 0.00 0.00 57.07 55.68 1t0y s TYR 22 Cb -0.16 -0.65 -0.09 0.00 -0.40 0.00 0.00 41.96 40.66 1t0y s TYR 22 CO -0.06 0.07 1.34 -2.14 -1.57 0.00 0.00 175.55 173.20 1t0y s PRO 23 N -3.76 3.91 0.53 -1.71 0.02 -1.26 -0.03 135.00 132.70 1t0y s PRO 23 Ca 0.17 2.24 0.17 0.00 0.02 0.00 0.00 61.00 63.60 1t0y s PRO 23 Cb 0.03 -2.74 1.32 0.00 0.02 0.00 0.00 34.50 33.12 1t0y s PRO 23 CO 0.01 -0.57 2.15 0.00 -0.33 0.00 0.00 177.00 178.26 1t0y h ALA 24 N 2.61 2.00 -0.04 -1.55 0.00 -0.42 -0.10 119.26 121.75 1t0y h ALA 24 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t0y h ALA 24 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t0y h ALA 24 CO 0.62 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1t0y n GLY 25 N -1.53 -0.38 3.84 0.00 0.00 -1.26 -2.68 105.19 103.17 1t0y n GLY 25 Ca -0.02 -0.31 -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 -1.95 4.07 0.39 1.61 0.00 -0.05 -4.69 119.30 118.67 1t0y s MET 26 Ca 0.38 0.90 -0.13 0.00 0.00 0.00 0.00 55.69 56.83 1t0y s MET 26 Cb 0.19 -2.26 -0.08 0.00 0.00 0.00 0.00 34.83 32.68 1t0y s MET 26 CO 0.31 -0.03 0.78 -1.54 0.00 0.00 0.00 175.02 174.54 1t0y s SER 27 N -2.48 6.63 0.27 1.11 1.04 -1.26 -1.67 113.70 117.35 1t0y s SER 27 Ca 0.58 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 58.23 1t0y s SER 27 Cb -0.10 -2.36 0.39 0.00 0.10 0.00 0.00 66.02 64.04 1t0y s SER 27 CO 0.20 -0.35 1.91 0.25 0.98 0.00 0.00 173.24 176.23 1t0y h LEU 28 N 1.61 1.05 -0.40 2.42 6.46 -1.70 -2.08 115.31 122.67 1t0y h LEU 28 Ca -0.47 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1t0y h LEU 28 Cb 1.18 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1t0y h LEU 28 CO 0.64 0.71 0.19 0.78 -0.62 0.00 0.00 178.44 180.14 1t0y h ASN 29 N 1.21 0.52 -0.00 1.25 2.35 -1.84 -0.52 115.58 118.56 1t0y h ASN 29 Ca 0.40 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 1t0y h ASN 29 Cb 0.04 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1t0y h ASN 29 CO -0.13 0.51 -0.61 -0.78 -1.65 0.00 0.00 177.43 174.77 1t0y h ASP 30 N 0.50 0.69 -0.08 5.81 3.58 -1.78 0.37 116.42 125.51 1t0y h ASP 30 Ca 0.14 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 1t0y h ASP 30 Cb 0.12 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1t0y h ASP 30 CO -0.02 1.13 0.02 0.25 -2.88 0.00 0.00 179.24 177.75 1t0y h LEU 31 N 0.45 0.11 -0.57 2.28 6.46 -1.22 -2.13 115.31 120.70 1t0y h LEU 31 Ca -0.00 -0.21 -0.15 0.00 -0.12 0.00 0.00 57.88 57.40 1t0y h LEU 31 Cb 1.17 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1t0y h LEU 31 CO 0.12 0.29 -0.48 0.11 -0.62 0.00 0.00 178.44 177.86 1t0y h LYS 32 N -0.07 0.59 -0.04 1.25 1.57 -1.02 -2.72 116.57 116.14 1t0y h LYS 32 Ca 0.02 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1t0y h LYS 32 Cb 0.22 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1t0y h LYS 32 CO -0.00 0.94 0.04 -0.22 -0.57 0.00 0.00 179.45 179.64 1t0y h LYS 33 N 0.47 0.00 -0.09 3.15 1.63 0.09 1.39 116.57 123.22 1t0y h LYS 33 Ca 0.02 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.60 1t0y h LYS 33 Cb 1.01 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1t0y h LYS 33 CO 0.09 0.00 -0.83 -0.22 -3.45 0.00 0.00 179.45 175.04 1t0y h LYS 34 N 0.00 0.64 0.03 1.90 1.63 -1.15 -2.47 116.57 117.14 1t0y h LYS 34 Ca 0.02 -0.57 -0.20 0.00 -0.85 0.00 0.00 60.65 59.05 1t0y h LYS 34 Cb 0.09 0.13 0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1t0y h LYS 34 CO -0.00 1.18 -0.81 -0.07 -3.45 0.00 0.00 179.45 176.30 1t0y h LEU 35 N 0.42 0.66 -1.93 5.20 3.38 -0.38 -3.25 115.31 119.41 1t0y h LEU 35 Ca -0.06 -0.78 0.03 0.00 0.09 0.00 0.00 57.88 57.15 1t0y h LEU 35 Cb 1.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1t0y h LEU 35 CO 0.16 1.36 0.11 -0.33 0.09 0.00 0.00 178.44 179.83 1t0y h GLU 36 N 0.04 0.09 -0.77 1.13 4.39 0.16 0.48 114.58 120.10 1t0y h GLU 36 Ca -0.11 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.64 1t0y h GLU 36 Cb 1.51 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.10 1t0y h GLU 36 CO 0.16 0.06 0.50 1.25 -1.16 0.00 0.00 179.01 179.82 1t0y h LEU 37 N 0.09 0.74 0.05 1.33 5.85 -1.47 0.61 115.31 122.52 1t0y h LEU 37 Ca 0.07 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.47 1t0y h LEU 37 Cb 0.16 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1t0y h LEU 37 CO -0.01 0.49 -1.76 0.58 -0.34 0.00 0.00 178.44 177.40 1t0y h VAL 38 N 0.85 0.84 0.00 1.05 2.07 -0.56 -3.36 116.25 117.14 1t0y h VAL 38 Ca 0.32 -2.62 -0.07 0.00 0.82 0.00 0.00 66.70 65.16 1t0y h VAL 38 Cb 0.20 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1t0y h VAL 38 CO -0.11 0.67 -0.32 0.58 0.02 0.00 0.00 177.57 178.41 1t0y h VAL 39 N 0.03 0.58 -0.01 2.57 2.07 0.07 -3.47 116.25 118.09 1t0y h VAL 39 Ca -0.32 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1t0y h VAL 39 Cb 2.01 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1t0y h VAL 39 CO 0.09 0.32 -0.00 0.61 0.02 0.00 0.00 177.57 178.61 1t0y n GLY 40 N 0.99 0.46 3.89 2.17 0.00 0.21 -5.01 105.19 107.90 1t0y n GLY 40 Ca 0.02 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.91 1.46 0.21 2.61 2.01 -1.17 -5.04 115.64 113.81 1t0y s THR 41 Ca 0.00 -1.59 0.05 0.00 0.31 0.00 0.00 61.69 60.46 1t0y s THR 41 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1t0y s THR 41 CO 0.00 0.00 -0.06 -0.89 -0.69 0.00 0.00 174.62 172.98 1t0y s THR 42 N -2.82 1.26 0.35 -0.82 2.01 -1.26 -4.60 115.64 109.77 1t0y s THR 42 Ca 0.27 -2.08 0.18 0.00 0.31 0.00 0.00 61.69 60.37 1t0y s THR 42 Cb -0.02 -2.15 0.16 0.00 0.01 0.00 0.00 72.50 70.50 1t0y s THR 42 CO 0.17 -0.50 1.89 0.58 -0.69 0.00 0.00 174.62 176.07 1t0y h VAL 43 N 2.56 0.99 -0.51 3.82 2.07 -1.95 -2.52 116.25 120.71 1t0y h VAL 43 Ca -0.38 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1t0y h VAL 43 Cb 1.21 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 1t0y h VAL 43 CO 0.64 0.28 0.29 -0.78 0.02 0.00 0.00 177.57 178.02 1t0y h ASP 44 N 0.00 0.61 -0.22 0.57 3.58 -1.99 -1.31 116.42 117.66 1t0y h ASP 44 Ca -0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1t0y h ASP 44 Cb 0.58 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1t0y h ASP 44 CO 0.04 0.49 0.00 -1.20 -2.88 0.00 0.00 179.24 175.69 1t0y n SER 45 N -4.41 2.69 -4.54 2.28 7.64 -0.97 -4.90 113.62 111.40 1t0y n SER 45 Ca 0.04 -1.87 -0.34 0.00 1.01 0.00 0.00 58.87 57.71 1t0y n SER 45 Cb 0.09 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.73 3.11 -0.03 1.43 -2.45 -0.49 -0.83 119.30 118.31 1t0y s MET 46 Ca 0.35 -0.54 0.01 0.00 -1.25 0.00 0.00 55.69 54.26 1t0y s MET 46 Cb 0.21 -2.71 -0.03 0.00 1.25 0.00 0.00 34.83 33.54 1t0y s MET 46 CO 0.30 0.50 -0.04 1.03 1.05 0.00 0.00 175.02 177.86 1t0y s ARG 47 N -0.35 2.73 -0.15 4.11 3.00 0.17 -4.90 118.95 123.56 1t0y s ARG 47 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 55.73 55.18 1t0y s ARG 47 Cb -0.12 -2.62 0.02 0.00 0.00 0.00 0.00 34.95 32.23 1t0y s ARG 47 CO 0.02 0.64 -0.15 0.42 0.00 0.00 0.00 175.30 176.24 1t0y s ILE 48 N -0.97 1.59 -0.00 1.52 1.09 -1.26 -0.43 121.20 122.75 1t0y s ILE 48 Ca 0.16 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 59.10 1t0y s ILE 48 Cb -0.11 -1.49 -0.03 0.00 -1.06 0.00 0.00 42.46 39.77 1t0y s ILE 48 CO 0.06 0.46 -0.10 -1.10 -0.10 0.00 0.00 174.94 174.17 1t0y s GLN 49 N 1.44 2.47 -0.27 2.79 1.11 0.14 -0.65 119.66 126.68 1t0y s GLN 49 Ca 0.04 -0.75 -0.08 0.00 0.01 0.00 0.00 55.36 54.58 1t0y s GLN 49 Cb -0.13 -2.44 -0.02 0.00 -1.01 0.00 0.00 33.01 29.42 1t0y s GLN 49 CO -0.10 0.60 0.09 -1.17 0.01 0.00 0.00 175.29 174.72 1t0y s LEU 50 N -1.29 3.70 -0.11 2.90 0.20 -0.11 0.08 118.68 124.05 1t0y s LEU 50 Ca 0.16 -0.39 -0.03 0.00 0.69 0.00 0.00 54.13 54.55 1t0y s LEU 50 Cb -0.11 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.68 1t0y s LEU 50 CO 0.06 -0.11 0.01 -0.36 -0.29 0.00 0.00 176.35 175.66 1t0y s PHE 51 N 1.59 3.18 0.00 5.38 0.40 0.80 -0.11 117.98 129.22 1t0y s PHE 51 Ca 0.05 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1t0y s PHE 51 Cb -0.16 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1t0y s PHE 51 CO 0.04 0.35 0.00 -3.47 0.70 0.00 0.00 175.22 172.84 1t0y n ASP 52 N 2.57 0.00 0.15 1.36 -0.08 -1.18 -1.41 116.55 117.97 1t0y n ASP 52 Ca -0.18 -0.68 0.12 0.00 -1.51 0.00 0.00 54.79 52.54 1t0y n ASP 52 Cb 0.53 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.19 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1t0y h GLY 53 N 0.00 0.00 0.00 0.27 0.00 -1.91 -3.37 103.07 98.06 1t0y h GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t0y h GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1t0y n ASP 54 N -2.71 0.00 0.00 0.19 5.68 -1.26 -5.03 116.55 113.42 1t0y n ASP 54 Ca 0.04 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 1t0y n ASP 54 Cb 0.50 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1t0y n ASP 55 N -1.06 0.00 -4.81 -1.12 2.03 -1.26 -5.16 116.55 105.17 1t0y n ASP 55 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1t0y n ASP 55 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t0y s GLN 56 N -1.19 4.30 -0.01 -0.67 -2.07 -1.26 -4.65 119.66 114.11 1t0y s GLN 56 Ca 0.00 1.07 -0.30 0.00 -1.82 0.00 0.00 55.36 54.31 1t0y s GLN 56 Cb 0.00 -2.53 -0.06 0.00 -1.09 0.00 0.00 33.01 29.34 1t0y s GLN 56 CO 0.00 0.17 1.52 -1.17 -1.32 0.00 0.00 175.29 174.48 1t0y s LEU 57 N -2.61 4.32 -0.07 2.60 0.20 -1.26 -3.12 118.68 118.74 1t0y s LEU 57 Ca 0.54 2.20 -0.17 0.00 0.69 0.00 0.00 54.13 57.39 1t0y s LEU 57 Cb -0.13 -3.55 -0.29 0.00 -0.43 0.00 0.00 46.19 41.78 1t0y s LEU 57 CO 0.18 -0.81 0.68 0.11 -0.29 0.00 0.00 176.35 176.22 1t0y h LYS 58 N 8.41 0.30 -1.86 1.98 1.79 -0.88 -3.49 116.57 122.81 1t0y h LYS 58 Ca -0.39 -0.50 0.26 0.00 -2.18 0.00 0.00 60.65 57.84 1t0y h LYS 58 Cb 1.18 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 31.92 1t0y h LYS 58 CO 0.93 1.24 0.69 0.20 -1.08 0.00 0.00 179.45 181.43 1t0y s GLY 59 N -4.82 -0.31 -0.26 3.86 0.00 -1.22 -5.02 107.32 99.55 1t0y s GLY 59 Ca -0.17 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.85 1t0y s GLY 59 CO 0.80 0.39 0.17 1.85 0.00 0.00 0.00 173.10 176.31 1t0y s GLU 60 N -2.72 3.99 0.00 2.90 2.56 -1.26 -0.93 118.70 123.23 1t0y s GLU 60 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 54.81 1t0y s GLU 60 Cb 0.02 -3.58 0.00 0.00 2.00 0.00 0.00 34.13 32.57 1t0y s GLU 60 CO -0.01 -0.07 0.00 1.28 -0.56 0.00 0.00 175.26 175.90 1t0y n LEU 61 N 4.69 0.00 0.00 2.70 7.99 0.18 -4.94 117.00 127.62 1t0y n LEU 61 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 1t0y n LEU 61 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1t0y n LEU 61 CO 0.34 0.00 0.00 1.07 -1.51 0.00 0.00 177.39 177.29 1t0y n THR 62 N 0.00 0.00 -3.56 -5.08 5.66 -1.26 -4.97 114.28 105.07 1t0y n THR 62 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1t0y n THR 62 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 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 -3.30 6.19 -0.05 1.09 1.01 -1.26 -4.92 116.67 115.43 1t0y s ASP 63 Ca 0.00 0.21 0.08 0.00 0.71 0.00 0.00 52.55 53.55 1t0y s ASP 63 Cb 0.00 -2.15 0.12 0.00 1.01 0.00 0.00 42.92 41.90 1t0y s ASP 63 CO 0.00 -0.00 1.05 0.61 0.21 0.00 0.00 175.17 177.04 1t0y n GLY 64 N 4.32 2.28 0.03 0.21 0.00 -1.26 -4.39 105.19 106.38 1t0y n GLY 64 Ca -0.13 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.61 3.15 -2.34 4.61 0.00 -1.26 -3.65 120.51 120.42 1t0y n ALA 65 Ca 0.07 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 1t0y n ALA 65 Cb 0.66 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.09 2.33 0.58 0.00 -2.85 -1.26 -4.99 119.74 110.46 1t0y s LYS 66 Ca 0.09 -1.85 -0.07 0.00 -1.00 0.00 0.00 55.97 53.14 1t0y s LYS 66 Cb 0.15 -2.18 -0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1t0y s LYS 66 CO 0.70 -0.45 0.90 -1.12 0.10 0.00 0.00 175.35 175.49 1t0y s SER 67 N -4.21 5.75 0.42 0.03 0.01 -1.26 -3.54 113.70 110.91 1t0y s SER 67 Ca 0.40 0.84 0.22 0.00 1.31 0.00 0.00 55.95 58.71 1t0y s SER 67 Cb -0.02 -1.88 0.86 0.00 0.21 0.00 0.00 66.02 65.19 1t0y s SER 67 CO 0.24 -0.98 1.81 -0.07 0.41 0.00 0.00 173.24 174.65 1t0y h LEU 68 N -0.15 0.00 -0.66 2.44 3.38 -1.37 -2.49 115.31 116.47 1t0y h LEU 68 Ca -0.46 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1t0y h LEU 68 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1t0y h LEU 68 CO 0.61 0.28 0.29 0.50 0.09 0.00 0.00 178.44 180.22 1t0y h LYS 69 N 0.00 0.96 -0.15 1.13 3.64 -1.60 0.18 116.57 120.73 1t0y h LYS 69 Ca -0.00 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1t0y h LYS 69 Cb 0.77 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1t0y h LYS 69 CO 0.04 0.78 -0.23 0.22 -2.27 0.00 0.00 179.45 177.98 1t0y h ASP 70 N 0.91 0.25 0.70 4.20 3.58 -1.74 -1.29 116.42 123.04 1t0y h ASP 70 Ca 0.22 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1t0y h ASP 70 Cb 0.16 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1t0y h ASP 70 CO -0.02 0.50 0.00 0.18 -2.88 0.00 0.00 179.24 177.01 1t0y n LEU 71 N -4.17 0.00 0.00 2.28 4.77 -0.73 -4.87 117.00 114.28 1t0y n LEU 71 Ca -0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1t0y n LEU 71 Cb 0.35 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1t0y n LEU 71 CO 0.40 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1t0y n GLY 72 N 0.62 0.84 3.60 -0.72 0.00 -0.48 -5.04 105.19 104.00 1t0y n GLY 72 Ca 0.05 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 5.10 0.00 1.61 1.01 0.55 -4.99 120.40 121.67 1t0y s VAL 73 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1t0y s VAL 73 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1t0y s VAL 73 CO 0.00 0.05 0.00 0.54 0.00 0.00 0.00 175.10 175.69 1t0y n ARG 74 N 5.50 3.21 -2.32 2.72 1.74 -1.26 -3.77 116.66 122.49 1t0y n ARG 74 Ca -0.06 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.66 1t0y n ARG 74 Cb 0.50 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.92 1t0y n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1t0y s ASP 75 N 0.18 6.24 0.00 0.55 1.11 -1.26 -3.46 116.67 120.02 1t0y s ASP 75 Ca 0.00 2.24 0.00 0.00 0.18 0.00 0.00 52.55 54.97 1t0y s ASP 75 Cb 0.00 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1t0y s ASP 75 CO 0.00 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.09 1t0y n GLY 76 N 0.38 0.74 3.88 0.21 0.00 0.16 -4.91 105.19 105.66 1t0y n GLY 76 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.63 3.43 -0.25 1.61 2.02 -1.22 -4.53 117.35 115.78 1t0y s TYR 77 Ca 0.00 0.86 -0.08 0.00 -0.37 0.00 0.00 57.07 57.48 1t0y s TYR 77 Cb 0.00 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1t0y s TYR 77 CO 0.00 0.24 0.08 0.50 -1.57 0.00 0.00 175.55 174.80 1t0y s ARG 78 N -2.96 3.72 -0.20 -0.62 3.52 -0.50 -1.04 118.95 120.86 1t0y s ARG 78 Ca 0.47 -0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 55.58 1t0y s ARG 78 Cb -0.11 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1t0y s ARG 78 CO 0.23 -0.15 -0.01 0.42 -0.81 0.00 0.00 175.30 174.97 1t0y s ILE 79 N 1.54 3.81 -0.10 4.11 -1.09 0.16 -0.14 121.20 129.50 1t0y s ILE 79 Ca 0.06 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1t0y s ILE 79 Cb -0.15 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 1t0y s ILE 79 CO 0.04 0.43 -0.00 -2.28 -1.23 0.00 0.00 174.94 171.90 1t0y s HIS 80 N 1.09 3.14 -0.06 3.97 5.65 0.11 0.28 115.29 129.47 1t0y s HIS 80 Ca 0.02 0.13 0.03 0.00 0.25 0.00 0.00 55.06 55.49 1t0y s HIS 80 Cb -0.14 -1.81 0.00 0.00 -1.18 0.00 0.00 32.58 29.44 1t0y s HIS 80 CO 0.01 0.39 -0.16 0.00 -0.65 0.00 0.00 174.74 174.33 1t0y s ALA 81 N -0.69 1.52 -0.04 1.58 0.00 0.13 0.24 121.76 124.51 1t0y s ALA 81 Ca 0.11 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1t0y s ALA 81 Cb -0.12 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1t0y s ALA 81 CO 0.02 0.21 -0.05 0.54 0.00 0.00 0.00 175.76 176.48 1t0y s VAL 82 N 0.35 0.56 -0.10 0.00 0.11 0.43 -0.93 120.40 120.82 1t0y s VAL 82 Ca -0.11 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1t0y s VAL 82 Cb -0.14 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1t0y s VAL 82 CO 0.04 0.22 0.13 1.51 -3.33 0.00 0.00 175.10 173.67 1t0y s ASP 83 N 0.72 6.23 0.00 3.54 -4.77 -1.26 0.41 116.67 121.54 1t0y s ASP 83 Ca -0.10 0.41 0.24 0.00 -3.30 0.00 0.00 52.55 49.80 1t0y s ASP 83 Cb -0.13 -1.98 0.39 0.00 -1.09 0.00 0.00 42.92 40.11 1t0y s ASP 83 CO 0.00 0.38 1.37 1.33 0.70 0.00 0.00 175.17 178.96 1t0y n VAL 84 N 1.84 0.21 -0.04 2.11 0.24 -0.01 -4.10 118.33 118.58 1t0y n VAL 84 Ca -0.18 -0.57 -0.12 0.00 -2.04 0.00 0.00 64.34 61.43 1t0y n VAL 84 Cb 0.54 1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 33.92 1t0y n VAL 84 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1t0y n THR 85 N 1.25 1.58 1.01 3.34 5.66 -1.26 -4.12 114.28 121.74 1t0y n THR 85 Ca 0.17 -0.77 0.12 0.00 -3.05 0.00 0.00 64.05 60.52 1t0y n THR 85 Cb 0.57 -1.06 0.10 0.00 -1.55 0.00 0.00 70.33 68.38 1t0y n THR 85 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1t0y n GLY 86 N 1.74 0.93 0.00 1.09 0.00 -1.26 -5.07 105.19 102.61 1t0y n GLY 86 Ca -0.26 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 1.35 -1.62 3.74 -0.02 0.00 -1.26 -4.84 105.19 102.55 1t0y n GLY 87 Ca 0.14 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 1t0y n GLY 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t0y s ASN 88 N -4.43 7.42 -0.18 1.61 3.04 -1.26 -4.57 114.94 116.57 1t0y s ASN 88 Ca 0.00 1.69 -0.01 0.00 0.04 0.00 0.00 52.86 54.58 1t0y s ASN 88 Cb 0.00 -2.55 0.01 0.00 -1.54 0.00 0.00 41.25 37.17 1t0y s ASN 88 CO 0.00 -0.00 0.03 -0.62 -3.04 0.00 0.00 177.10 173.46 1t0y n GLU 89 N 2.60 -2.32 0.00 0.43 1.02 -1.24 -5.12 120.64 116.02 1t0y n GLU 89 Ca -0.00 2.01 0.04 0.00 -0.02 0.00 0.00 57.16 59.20 1t0y n GLU 89 Cb 0.49 -3.72 0.04 0.00 -0.02 0.00 0.00 31.44 28.23 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84