#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 5.30 -0.49 1.12 -1.32 -1.26 -4.97 115.64 114.02 1t0y s THR 2 Ca 0.00 0.21 0.07 0.00 -1.21 0.00 0.00 61.69 60.76 1t0y s THR 2 Cb 0.00 -3.55 0.24 0.00 -1.51 0.00 0.00 72.50 67.68 1t0y s THR 2 CO 0.00 0.24 0.58 -0.62 -2.21 0.00 0.00 174.62 172.61 1t0y n GLU 3 N 5.06 1.32 -4.29 7.08 1.02 -1.26 -5.05 120.64 124.51 1t0y n GLU 3 Ca -0.13 -3.77 -0.18 0.00 -0.02 0.00 0.00 57.16 53.06 1t0y n GLU 3 Cb 0.52 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 1t0y n GLU 3 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1t0y s VAL 4 N -1.51 0.84 -0.02 2.62 -7.23 -1.26 0.01 120.40 113.85 1t0y s VAL 4 Ca 0.36 -0.77 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 1t0y s VAL 4 Cb 0.14 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 1t0y s VAL 4 CO -0.09 0.00 -0.20 -0.72 -0.31 0.00 0.00 175.10 173.79 1t0y s TYR 5 N -0.70 1.76 -0.31 2.82 -0.85 0.28 -4.52 117.35 115.82 1t0y s TYR 5 Ca 0.00 -0.34 -0.10 0.00 -0.52 0.00 0.00 57.07 56.11 1t0y s TYR 5 Cb -0.07 -1.13 -0.01 0.00 0.38 0.00 0.00 41.96 41.13 1t0y s TYR 5 CO 0.01 -0.04 0.17 -0.51 -1.52 0.00 0.00 175.55 173.66 1t0y s ASP 6 N -0.44 5.64 0.19 -0.18 1.01 -1.26 -1.74 116.67 119.89 1t0y s ASP 6 Ca 0.07 -0.47 0.07 0.00 0.71 0.00 0.00 52.55 52.93 1t0y s ASP 6 Cb -0.08 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1t0y s ASP 6 CO -0.01 -0.19 0.02 -0.76 0.21 0.00 0.00 175.17 174.45 1t0y s LEU 7 N 1.64 3.36 -0.30 1.23 1.43 -1.03 -0.98 118.68 124.04 1t0y s LEU 7 Ca 0.05 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1t0y s LEU 7 Cb -0.17 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1t0y s LEU 7 CO 0.07 0.07 0.07 -0.70 0.23 0.00 0.00 176.35 176.08 1t0y s GLU 8 N -3.12 2.97 -0.10 1.70 2.12 -0.97 -2.12 118.70 119.17 1t0y s GLU 8 Ca 0.29 -0.93 -0.09 0.00 0.36 0.00 0.00 54.97 54.59 1t0y s GLU 8 Cb -0.09 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1t0y s GLU 8 CO 0.20 -0.48 0.21 0.42 -0.54 0.00 0.00 175.26 175.07 1t0y s ILE 9 N 1.46 5.37 0.11 -3.70 -1.09 0.13 -0.89 121.20 122.59 1t0y s ILE 9 Ca 0.01 0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 1t0y s ILE 9 Cb -0.18 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1t0y s ILE 9 CO 0.02 0.59 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.37 1t0y s THR 10 N -0.87 0.63 0.22 2.92 2.01 0.55 -0.13 115.64 120.97 1t0y s THR 10 Ca 0.17 -1.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.08 1t0y s THR 10 Cb -0.13 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1t0y s THR 10 CO 0.06 -0.80 0.51 -0.89 -0.69 0.00 0.00 174.62 172.81 1t0y s THR 11 N -3.67 0.02 -0.17 -0.82 2.01 -1.25 -0.13 115.64 111.62 1t0y s THR 11 Ca 0.14 -1.05 0.16 0.00 0.31 0.00 0.00 61.69 61.25 1t0y s THR 11 Cb 0.06 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.78 1t0y s THR 11 CO -0.03 -0.09 1.34 -0.55 -0.69 0.00 0.00 174.62 174.60 1t0y h ASN 12 N 2.22 0.00 -0.05 3.53 -1.07 -1.86 -3.11 115.58 115.24 1t0y h ASN 12 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.10 1t0y h ASN 12 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1t0y h ASN 12 CO 0.36 0.47 0.00 0.00 0.07 0.00 0.00 177.43 178.33 1t0y n ALA 13 N -2.24 2.56 -2.39 4.14 0.00 -1.26 -4.81 120.51 116.51 1t0y n ALA 13 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1t0y n ALA 13 Cb 0.73 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.95 2.49 -0.17 0.00 -4.23 -1.18 -5.03 115.64 105.57 1t0y s THR 14 Ca 0.37 -1.06 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1t0y s THR 14 Cb 0.20 -1.95 -0.22 0.00 1.34 0.00 0.00 72.50 71.87 1t0y s THR 14 CO 0.32 0.50 0.34 0.44 -0.54 0.00 0.00 174.62 175.69 1t0y h ASP 15 N 5.16 0.14 -3.15 3.99 3.32 -1.87 -3.40 116.42 120.60 1t0y h ASP 15 Ca -0.45 -0.68 -0.67 0.00 0.02 0.00 0.00 57.03 55.24 1t0y h ASP 15 Cb 1.14 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 1t0y h ASP 15 CO 0.48 1.55 -0.58 -0.36 -1.72 0.00 0.00 179.24 178.60 1t0y s PHE 16 N -2.41 3.27 0.62 4.55 0.08 -1.26 -5.02 117.98 117.80 1t0y s PHE 16 Ca -0.25 0.25 -0.19 0.00 0.12 0.00 0.00 56.93 56.86 1t0y s PHE 16 Cb 0.05 -1.85 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1t0y s PHE 16 CO 0.66 0.50 1.29 -2.14 -0.10 0.00 0.00 175.22 175.43 1t0y s PRO 17 N -0.79 2.75 -0.11 0.24 0.02 -1.26 -4.91 135.00 130.93 1t0y s PRO 17 Ca 0.12 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1t0y s PRO 17 Cb -0.12 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1t0y s PRO 17 CO 0.03 -1.45 -0.17 -1.64 -0.33 0.00 0.00 177.00 173.44 1t0y s MET 18 N -3.26 2.36 -0.19 5.54 -1.94 0.82 -4.92 119.30 117.71 1t0y s MET 18 Ca 0.79 -0.62 -0.09 0.00 -1.71 0.00 0.00 55.69 54.07 1t0y s MET 18 Cb -0.37 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 34.44 1t0y s MET 18 CO 0.40 -0.05 0.11 -1.21 -0.01 0.00 0.00 175.02 174.27 1t0y s GLU 19 N 0.93 4.10 -0.14 2.03 2.02 -1.26 0.21 118.70 126.60 1t0y s GLU 19 Ca -0.07 -0.25 -0.17 0.00 0.02 0.00 0.00 54.97 54.49 1t0y s GLU 19 Cb -0.15 -3.35 0.04 0.00 0.10 0.00 0.00 34.13 30.77 1t0y s GLU 19 CO -0.01 0.31 0.46 0.21 0.02 0.00 0.00 175.26 176.25 1t0y s LYS 20 N 0.32 0.61 -0.13 1.61 2.20 -0.90 -4.99 119.74 118.47 1t0y s LYS 20 Ca 0.07 0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 56.10 1t0y s LYS 20 Cb -0.11 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 1t0y s LYS 20 CO -0.01 -0.11 0.03 0.21 -0.36 0.00 0.00 175.35 175.11 1t0y s LYS 21 N -0.16 3.41 0.15 4.03 2.20 -1.26 -2.47 119.74 125.64 1t0y s LYS 21 Ca -0.03 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1t0y s LYS 21 Cb -0.03 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1t0y s LYS 21 CO 0.02 0.54 0.09 0.71 -0.36 0.00 0.00 175.35 176.35 1t0y s TYR 22 N -0.40 0.90 0.35 4.03 2.02 -0.71 -4.97 117.35 118.58 1t0y s TYR 22 Ca 0.08 -1.24 -0.26 0.00 -0.37 0.00 0.00 57.07 55.29 1t0y s TYR 22 Cb -0.12 -0.47 -0.09 0.00 -0.40 0.00 0.00 41.96 40.88 1t0y s TYR 22 CO 0.02 -0.56 1.07 -2.14 -1.57 0.00 0.00 175.55 172.37 1t0y s PRO 23 N -4.07 4.34 0.02 -1.71 0.02 -1.26 -0.56 135.00 131.78 1t0y s PRO 23 Ca 0.27 1.63 0.23 0.00 0.02 0.00 0.00 61.00 63.15 1t0y s PRO 23 Cb 0.07 -2.79 0.97 0.00 0.02 0.00 0.00 34.50 32.77 1t0y s PRO 23 CO 0.04 -0.01 1.74 0.00 -0.33 0.00 0.00 177.00 178.43 1t0y n ALA 24 N 0.41 2.05 0.62 -1.55 0.00 0.10 -2.51 120.51 119.63 1t0y n ALA 24 Ca 0.03 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1t0y n ALA 24 Cb 0.48 -1.38 0.37 0.00 0.00 0.00 0.00 19.45 18.92 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 0.85 -1.67 3.76 0.00 0.00 -1.26 -0.44 105.19 106.44 1t0y n GLY 25 Ca 0.05 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.11 2.56 0.32 1.61 0.00 -1.04 -4.66 119.30 114.97 1t0y s MET 26 Ca 0.10 1.39 -0.09 0.00 0.00 0.00 0.00 55.69 57.09 1t0y s MET 26 Cb 0.12 -1.92 -0.06 0.00 0.00 0.00 0.00 34.83 32.97 1t0y s MET 26 CO 0.62 -1.44 0.64 -1.54 0.00 0.00 0.00 175.02 173.30 1t0y s SER 27 N -2.69 6.54 0.36 1.11 1.04 -1.26 -0.80 113.70 118.01 1t0y s SER 27 Ca 0.67 0.95 0.04 0.00 0.48 0.00 0.00 55.95 58.09 1t0y s SER 27 Cb -0.21 -2.24 0.68 0.00 0.10 0.00 0.00 66.02 64.35 1t0y s SER 27 CO 0.45 -0.23 1.97 0.25 0.98 0.00 0.00 173.24 176.66 1t0y h LEU 28 N 1.80 0.57 -0.98 2.42 7.12 -1.76 -2.07 115.31 122.41 1t0y h LEU 28 Ca -0.47 -0.05 -0.09 0.00 0.13 0.00 0.00 57.88 57.40 1t0y h LEU 28 Cb 1.18 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 41.15 1t0y h LEU 28 CO 0.66 0.50 -0.24 0.78 -0.13 0.00 0.00 178.44 180.00 1t0y h ASN 29 N 0.64 0.46 0.49 1.25 2.35 -1.86 0.87 115.58 119.78 1t0y h ASN 29 Ca 0.16 -0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.58 1t0y h ASN 29 Cb 0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1t0y h ASN 29 CO -0.02 0.70 -0.81 -0.78 -1.65 0.00 0.00 177.43 174.87 1t0y h ASP 30 N 0.41 0.30 -0.55 5.81 3.58 -1.81 -1.80 116.42 122.36 1t0y h ASP 30 Ca 0.06 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.25 1t0y h ASP 30 Cb 0.64 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1t0y h ASP 30 CO 0.05 0.98 0.17 0.25 -2.88 0.00 0.00 179.24 177.81 1t0y h LEU 31 N 0.15 0.80 -0.24 2.28 5.85 -0.79 0.53 115.31 123.89 1t0y h LEU 31 Ca -0.04 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1t0y h LEU 31 Cb 1.40 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1t0y h LEU 31 CO 0.13 0.80 -0.01 0.11 -0.34 0.00 0.00 178.44 179.13 1t0y h LYS 32 N 0.77 0.07 -0.78 1.25 1.57 -0.66 0.35 116.57 119.14 1t0y h LYS 32 Ca 0.18 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1t0y h LYS 32 Cb 0.28 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1t0y h LYS 32 CO -0.01 0.04 0.51 0.87 -0.57 0.00 0.00 179.45 180.30 1t0y h LYS 33 N 0.07 0.88 -0.43 3.15 1.57 -0.62 0.86 116.57 122.05 1t0y h LYS 33 Ca 0.12 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1t0y h LYS 33 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1t0y h LYS 33 CO -0.20 0.58 -0.21 0.87 -0.57 0.00 0.00 179.45 179.92 1t0y h LYS 34 N 0.91 0.90 -0.51 3.15 1.79 -0.12 -1.81 116.57 120.88 1t0y h LYS 34 Ca 0.32 -0.40 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 1t0y h LYS 34 Cb 0.13 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1t0y h LYS 34 CO -0.10 1.05 -0.09 -0.07 -1.08 0.00 0.00 179.45 179.16 1t0y h LEU 35 N 0.73 0.96 -1.85 2.94 3.38 0.12 -2.81 115.31 118.77 1t0y h LEU 35 Ca 0.09 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1t0y h LEU 35 Cb 0.78 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1t0y h LEU 35 CO 0.06 1.08 -0.01 -0.33 0.09 0.00 0.00 178.44 179.34 1t0y h GLU 36 N 0.82 0.08 0.00 1.13 4.39 0.78 0.37 114.58 122.15 1t0y h GLU 36 Ca 0.13 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1t0y h GLU 36 Cb 0.64 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1t0y h GLU 36 CO 0.04 0.10 -0.21 1.25 -1.16 0.00 0.00 179.01 179.03 1t0y h LEU 37 N 0.08 0.00 0.10 1.33 5.85 -1.06 0.42 115.31 122.04 1t0y h LEU 37 Ca 0.02 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.40 1t0y h LEU 37 Cb 0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1t0y h LEU 37 CO 0.00 0.21 -1.87 0.52 -0.34 0.00 0.00 178.44 176.96 1t0y n VAL 38 N -3.63 1.74 0.08 1.05 0.31 0.44 -4.43 118.33 113.90 1t0y n VAL 38 Ca -0.01 -0.54 -0.03 0.00 -0.01 0.00 0.00 64.34 63.75 1t0y n VAL 38 Cb 0.34 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 1t0y n VAL 38 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1t0y h VAL 39 N -0.13 1.18 0.00 2.52 2.07 -0.35 -3.48 116.25 118.07 1t0y h VAL 39 Ca -0.41 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.37 1t0y h VAL 39 Cb 1.90 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 34.23 1t0y h VAL 39 CO 0.03 0.67 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1t0y n GLY 40 N 1.32 0.83 3.96 2.17 0.00 0.15 -5.04 105.19 108.58 1t0y n GLY 40 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.28 2.05 0.20 2.61 2.01 -1.23 -5.03 115.64 112.98 1t0y s THR 41 Ca 0.00 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.82 1t0y s THR 41 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1t0y s THR 41 CO 0.00 0.00 0.02 -0.89 -0.69 0.00 0.00 174.62 173.06 1t0y s THR 42 N -3.57 3.75 0.25 -0.82 2.01 -1.26 -4.78 115.64 111.22 1t0y s THR 42 Ca 0.71 -1.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 1t0y s THR 42 Cb -0.04 -2.93 0.23 0.00 0.01 0.00 0.00 72.50 69.77 1t0y s THR 42 CO 0.49 -0.19 1.88 0.58 -0.69 0.00 0.00 174.62 176.70 1t0y h VAL 43 N 2.24 1.12 0.00 3.82 2.07 -1.94 -0.80 116.25 122.77 1t0y h VAL 43 Ca -0.47 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1t0y h VAL 43 Cb 1.22 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1t0y h VAL 43 CO 0.59 0.21 0.00 0.44 0.02 0.00 0.00 177.57 178.82 1t0y h ASP 44 N 1.12 0.00 0.25 0.57 5.19 -2.02 -2.57 116.42 118.97 1t0y h ASP 44 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1t0y h ASP 44 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1t0y h ASP 44 CO -0.14 0.00 -0.35 -1.20 -3.12 0.00 0.00 179.24 174.43 1t0y n SER 45 N -2.75 1.03 -4.61 6.45 7.64 -0.32 -4.83 113.62 116.24 1t0y n SER 45 Ca 0.03 -0.84 -0.36 0.00 1.01 0.00 0.00 58.87 58.70 1t0y n SER 45 Cb 0.36 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.61 3.97 -0.06 1.43 -2.45 -0.97 -0.82 119.30 117.79 1t0y s MET 46 Ca 0.21 -0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.32 1t0y s MET 46 Cb 0.19 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.82 1t0y s MET 46 CO 0.57 0.07 -0.04 0.50 1.05 0.00 0.00 175.02 177.16 1t0y s ARG 47 N 0.99 2.78 -0.10 4.11 3.52 0.06 -4.96 118.95 125.36 1t0y s ARG 47 Ca 0.06 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1t0y s ARG 47 Cb -0.14 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.63 1t0y s ARG 47 CO 0.04 0.66 -0.18 0.42 -0.81 0.00 0.00 175.30 175.43 1t0y s ILE 48 N -0.88 1.66 -0.01 4.11 -1.09 -1.26 -0.29 121.20 123.43 1t0y s ILE 48 Ca 0.14 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.83 1t0y s ILE 48 Cb -0.11 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1t0y s ILE 48 CO 0.03 0.47 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.00 1t0y s GLN 49 N 0.68 2.47 -0.29 2.79 1.11 0.15 -0.74 119.66 125.82 1t0y s GLN 49 Ca -0.13 -0.74 -0.06 0.00 0.01 0.00 0.00 55.36 54.45 1t0y s GLN 49 Cb -0.16 -2.42 0.02 0.00 -1.01 0.00 0.00 33.01 29.44 1t0y s GLN 49 CO 0.03 0.60 0.05 -1.17 0.01 0.00 0.00 175.29 174.82 1t0y s LEU 50 N -1.14 3.80 0.11 2.90 0.20 -0.64 -0.45 118.68 123.45 1t0y s LEU 50 Ca 0.14 -0.83 0.04 0.00 0.69 0.00 0.00 54.13 54.18 1t0y s LEU 50 Cb -0.11 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1t0y s LEU 50 CO 0.04 -0.20 0.05 -0.36 -0.29 0.00 0.00 176.35 175.58 1t0y s PHE 51 N 1.44 3.06 0.93 5.38 0.08 0.22 -1.32 117.98 127.77 1t0y s PHE 51 Ca 0.01 -0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 1t0y s PHE 51 Cb -0.18 -1.55 0.19 0.00 -0.57 0.00 0.00 43.02 40.91 1t0y s PHE 51 CO 0.01 0.50 1.29 0.34 -0.10 0.00 0.00 175.22 177.26 1t0y s ASP 52 N -2.51 3.30 0.26 1.36 2.15 -1.06 -0.94 116.67 119.24 1t0y s ASP 52 Ca 0.28 0.27 0.04 0.00 0.43 0.00 0.00 52.55 53.57 1t0y s ASP 52 Cb -0.11 -0.37 0.34 0.00 -0.30 0.00 0.00 42.92 42.47 1t0y s ASP 52 CO 0.20 -2.61 1.63 1.23 -0.17 0.00 0.00 175.17 175.45 1t0y h GLY 53 N -1.53 0.32 0.00 2.66 0.00 -1.93 -3.32 103.07 99.28 1t0y h GLY 53 Ca -0.44 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1t0y h GLY 53 CO 0.40 0.31 -0.00 -1.80 0.00 0.00 0.00 176.54 175.45 1t0y h ASP 54 N 0.24 0.00 0.00 0.19 3.58 -1.93 -3.50 116.42 115.00 1t0y h ASP 54 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1t0y h ASP 54 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1t0y h ASP 54 CO 0.08 0.10 0.00 -0.67 -2.88 0.00 0.00 179.24 175.87 1t0y n ASP 55 N -2.57 0.00 -0.95 2.28 -0.08 -1.25 -5.17 116.55 108.81 1t0y n ASP 55 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1t0y n ASP 55 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t0y n GLN 56 N 0.00 -2.68 -2.82 -0.67 6.02 -1.26 -3.63 117.38 112.34 1t0y n GLN 56 Ca 0.00 2.01 -0.42 0.00 -0.01 0.00 0.00 57.00 58.58 1t0y n GLN 56 Cb 0.00 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 28.91 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 -3.21 4.16 -0.06 1.08 2.96 -1.26 -2.55 118.68 119.80 1t0y s LEU 57 Ca 0.00 1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.99 1t0y s LEU 57 Cb 0.00 -3.33 -0.30 0.00 0.50 0.00 0.00 46.19 43.06 1t0y s LEU 57 CO 0.00 -0.47 0.72 0.11 -1.32 0.00 0.00 176.35 175.39 1t0y h LYS 58 N 7.36 0.32 -1.36 1.98 1.79 -1.55 -3.49 116.57 121.62 1t0y h LYS 58 Ca -0.27 -0.54 0.36 0.00 -2.18 0.00 0.00 60.65 58.02 1t0y h LYS 58 Cb 1.12 0.20 -0.12 0.00 -1.58 0.00 0.00 32.23 31.85 1t0y h LYS 58 CO 0.87 1.26 0.90 0.20 -1.08 0.00 0.00 179.45 181.60 1t0y s GLY 59 N -4.80 -0.42 -0.18 3.86 0.00 -1.23 -5.06 107.32 99.48 1t0y s GLY 59 Ca -0.16 0.73 -0.06 0.00 0.00 0.00 0.00 44.72 45.22 1t0y s GLY 59 CO 0.82 0.78 0.04 1.85 0.00 0.00 0.00 173.10 176.59 1t0y s GLU 60 N -2.23 3.86 0.00 2.90 2.12 -1.26 -1.61 118.70 122.48 1t0y s GLU 60 Ca 0.16 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1t0y s GLU 60 Cb 0.05 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1t0y s GLU 60 CO -0.05 0.21 0.00 1.28 -0.54 0.00 0.00 175.26 176.16 1t0y n LEU 61 N 3.69 0.00 0.00 2.70 4.77 0.08 -4.84 117.00 123.40 1t0y n LEU 61 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 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 0.34 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.47 1t0y n THR 62 N 0.00 0.00 0.00 -5.08 5.66 -1.26 -4.55 114.28 109.04 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 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 0.00 1.09 9.92 -1.26 -4.87 116.55 121.43 1t0y n ASP 63 Ca 0.00 0.62 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 1t0y n ASP 63 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 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 -0.34 0.01 0.02 0.44 0.00 -1.26 -4.76 105.19 99.29 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 1.00 2.63 -4.10 4.61 0.00 -1.26 -4.31 120.51 119.07 1t0y n ALA 65 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 1t0y n ALA 65 Cb 0.41 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.40 0.65 -2.37 0.00 2.85 -1.26 -5.11 118.16 111.52 1t0y n LYS 66 Ca 0.09 -2.29 -0.27 0.00 -1.05 0.00 0.00 58.31 54.79 1t0y n LYS 66 Cb 0.32 1.32 0.03 0.00 -0.65 0.00 0.00 35.03 36.05 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 -2.66 5.53 0.45 -5.58 1.04 -1.26 -3.96 113.70 107.26 1t0y s SER 67 Ca 0.15 0.70 0.23 0.00 0.48 0.00 0.00 55.95 57.51 1t0y s SER 67 Cb 0.01 -1.66 1.02 0.00 0.10 0.00 0.00 66.02 65.48 1t0y s SER 67 CO 0.11 -1.11 1.88 -0.07 0.98 0.00 0.00 173.24 175.04 1t0y h LEU 68 N -0.21 0.00 -0.20 2.42 3.38 -0.62 -2.36 115.31 117.72 1t0y h LEU 68 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1t0y h LEU 68 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1t0y h LEU 68 CO 0.61 0.24 0.03 0.50 0.09 0.00 0.00 178.44 179.90 1t0y h LYS 69 N 0.00 0.33 -0.10 1.13 3.64 -0.97 0.23 116.57 120.83 1t0y h LYS 69 Ca -0.00 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1t0y h LYS 69 Cb 0.64 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1t0y h LYS 69 CO 0.03 0.50 -0.29 0.22 -2.27 0.00 0.00 179.45 177.64 1t0y h ASP 70 N 0.12 0.18 0.88 4.20 3.58 -1.76 -1.13 116.42 122.48 1t0y h ASP 70 Ca 0.06 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t0y h ASP 70 Cb 0.33 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1t0y h ASP 70 CO 0.01 0.48 0.00 0.18 -2.88 0.00 0.00 179.24 177.02 1t0y n LEU 71 N -4.14 0.44 0.00 2.28 4.77 -0.91 -4.88 117.00 114.56 1t0y n LEU 71 Ca -0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1t0y n LEU 71 Cb 0.38 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1t0y n LEU 71 CO 0.40 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1t0y n GLY 72 N 0.50 0.50 3.48 -0.72 0.00 -0.43 -4.97 105.19 103.55 1t0y n GLY 72 Ca 0.04 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 4.60 0.12 1.61 1.01 0.74 -4.94 120.40 121.53 1t0y s VAL 73 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.39 1t0y s VAL 73 Cb 0.00 -4.87 0.01 0.00 0.00 0.00 0.00 36.38 31.52 1t0y s VAL 73 CO 0.00 -1.63 0.10 0.54 0.00 0.00 0.00 175.10 174.12 1t0y n ARG 74 N 6.92 1.24 -2.41 2.72 1.74 -1.26 -4.47 116.66 121.14 1t0y n ARG 74 Ca 0.29 -0.72 -0.35 0.00 -0.77 0.00 0.00 57.85 56.30 1t0y n ARG 74 Cb 0.48 0.05 -0.02 0.00 -1.02 0.00 0.00 32.46 31.96 1t0y n ARG 74 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1t0y s ASP 75 N -1.70 6.10 0.00 0.55 -4.77 -1.26 -3.33 116.67 112.26 1t0y s ASP 75 Ca 0.08 2.06 0.00 0.00 -3.30 0.00 0.00 52.55 51.39 1t0y s ASP 75 Cb -0.01 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1t0y s ASP 75 CO 0.05 -0.95 0.00 0.61 0.70 0.00 0.00 175.17 175.58 1t0y n GLY 76 N 0.00 1.45 3.85 2.12 0.00 -0.15 -4.88 105.19 107.58 1t0y n GLY 76 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.34 3.50 -0.19 1.61 1.51 -1.21 -3.82 117.35 116.41 1t0y s TYR 77 Ca 0.00 1.38 -0.02 0.00 -1.01 0.00 0.00 57.07 57.42 1t0y s TYR 77 Cb 0.00 -2.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.11 1t0y s TYR 77 CO 0.00 -0.44 -0.11 0.50 -1.11 0.00 0.00 175.55 174.39 1t0y s ARG 78 N -4.37 3.24 -0.22 -0.62 3.52 -0.12 -2.29 118.95 118.08 1t0y s ARG 78 Ca 0.57 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 55.39 1t0y s ARG 78 Cb -0.10 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1t0y s ARG 78 CO 0.38 -0.15 0.06 0.42 -0.81 0.00 0.00 175.30 175.20 1t0y s ILE 79 N 1.26 4.44 -0.24 4.11 -1.09 -0.07 -0.61 121.20 129.00 1t0y s ILE 79 Ca 0.03 -0.14 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1t0y s ILE 79 Cb -0.14 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1t0y s ILE 79 CO -0.05 0.39 0.08 -2.28 -1.23 0.00 0.00 174.94 171.84 1t0y s HIS 80 N 1.13 3.12 -0.09 3.97 5.65 0.40 -0.33 115.29 129.14 1t0y s HIS 80 Ca 0.04 -0.29 -0.03 0.00 0.25 0.00 0.00 55.06 55.04 1t0y s HIS 80 Cb -0.14 -2.23 -0.03 0.00 -1.18 0.00 0.00 32.58 28.99 1t0y s HIS 80 CO 0.03 -0.26 0.03 0.00 -0.65 0.00 0.00 174.74 173.89 1t0y s ALA 81 N 1.45 3.42 -0.02 1.58 0.00 0.82 0.30 121.76 129.31 1t0y s ALA 81 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1t0y s ALA 81 Cb -0.15 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1t0y s ALA 81 CO 0.04 0.60 0.01 0.54 0.00 0.00 0.00 175.76 176.95 1t0y s VAL 82 N -0.93 0.08 -0.12 0.00 0.11 0.60 -2.35 120.40 117.79 1t0y s VAL 82 Ca 0.14 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.99 1t0y s VAL 82 Cb -0.11 -0.17 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1t0y s VAL 82 CO 0.03 0.10 1.06 -0.62 -3.33 0.00 0.00 175.10 172.34 1t0y s ASP 83 N 0.79 7.16 -0.11 3.54 2.15 -1.26 -0.76 116.67 128.18 1t0y s ASP 83 Ca -0.07 1.56 0.17 0.00 0.43 0.00 0.00 52.55 54.64 1t0y s ASP 83 Cb -0.10 -2.55 -0.24 0.00 -0.30 0.00 0.00 42.92 39.72 1t0y s ASP 83 CO -0.02 -0.53 0.35 0.52 -0.17 0.00 0.00 175.17 175.32 1t0y n VAL 84 N 4.76 1.30 0.03 1.11 0.31 -0.00 -3.15 118.33 122.68 1t0y n VAL 84 Ca 0.10 -0.79 -0.11 0.00 -0.01 0.00 0.00 64.34 63.53 1t0y n VAL 84 Cb 0.47 -0.60 -0.13 0.00 -0.91 0.00 0.00 33.84 32.67 1t0y n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t0y h THR 85 N 0.00 1.17 -0.01 2.52 1.03 -1.92 -3.17 112.91 112.53 1t0y h THR 85 Ca -0.38 -2.92 0.00 0.00 -0.01 0.00 0.00 66.41 63.10 1t0y h THR 85 Cb 1.99 2.64 0.00 0.00 -1.07 0.00 0.00 68.15 71.71 1t0y h THR 85 CO 0.04 0.74 -0.41 0.61 -0.01 0.00 0.00 175.52 176.49 1t0y n GLY 86 N 1.55 -0.29 7.00 2.99 0.00 -1.26 -5.06 105.19 110.12 1t0y n GLY 86 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.39 -0.67 3.71 -0.02 0.00 -1.19 -4.72 105.19 103.70 1t0y n GLY 87 Ca 0.10 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 6.19 0.00 1.61 -0.87 -1.26 -4.72 114.94 111.89 1t0y s ASN 88 Ca 0.00 0.21 0.19 0.00 -1.57 0.00 0.00 52.86 51.69 1t0y s ASN 88 Cb 0.00 -2.10 0.54 0.00 -0.02 0.00 0.00 41.25 39.67 1t0y s ASN 88 CO 0.00 0.15 1.45 -1.84 -2.57 0.00 0.00 177.10 174.29 1t0y n GLU 89 N 3.73 2.76 0.00 -0.60 -0.00 -1.26 -5.21 120.64 120.06 1t0y n GLU 89 Ca -0.16 -2.47 0.11 0.00 -0.00 0.00 0.00 57.16 54.64 1t0y n GLU 89 Cb 0.52 -1.48 0.09 0.00 -0.00 0.00 0.00 31.44 30.57 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66