#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 5.00 0.01 2.03 2.01 -1.26 -4.56 115.64 118.88 1t0y s THR 2 Ca 0.00 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1t0y s THR 2 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1t0y s THR 2 CO 0.00 -0.34 -0.06 -0.70 -0.69 0.00 0.00 174.62 172.83 1t0y s GLU 3 N 2.40 0.47 -0.02 4.92 2.56 -1.26 -5.04 118.70 122.73 1t0y s GLU 3 Ca 0.18 -0.41 0.02 0.00 0.00 0.00 0.00 54.97 54.76 1t0y s GLU 3 Cb -0.16 -0.37 -0.00 0.00 2.00 0.00 0.00 34.13 35.61 1t0y s GLU 3 CO 0.14 0.09 -0.08 0.14 -0.56 0.00 0.00 175.26 174.99 1t0y s VAL 4 N -0.62 0.70 0.01 3.70 -7.23 -1.26 -0.15 120.40 115.56 1t0y s VAL 4 Ca -0.03 -0.34 0.07 0.00 -1.81 0.00 0.00 61.98 59.87 1t0y s VAL 4 Cb -0.05 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 1t0y s VAL 4 CO 0.00 0.22 -0.20 -0.72 -0.31 0.00 0.00 175.10 174.08 1t0y s TYR 5 N 0.06 1.80 -0.13 2.82 -0.85 0.34 -4.82 117.35 116.57 1t0y s TYR 5 Ca -0.01 -0.36 -0.15 0.00 -0.52 0.00 0.00 57.07 56.04 1t0y s TYR 5 Cb -0.06 -1.12 -0.05 0.00 0.38 0.00 0.00 41.96 41.11 1t0y s TYR 5 CO 0.00 0.03 0.35 -0.51 -1.52 0.00 0.00 175.55 173.90 1t0y s ASP 6 N -0.81 6.55 0.19 -0.18 1.01 -1.26 -1.01 116.67 121.15 1t0y s ASP 6 Ca 0.08 0.64 0.09 0.00 0.71 0.00 0.00 52.55 54.07 1t0y s ASP 6 Cb -0.08 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1t0y s ASP 6 CO 0.00 0.11 -0.17 -0.76 0.21 0.00 0.00 175.17 174.57 1t0y s LEU 7 N 0.25 2.49 -0.28 1.23 1.43 -0.75 -1.78 118.68 121.26 1t0y s LEU 7 Ca 0.20 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1t0y s LEU 7 Cb -0.14 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.29 1t0y s LEU 7 CO 0.07 -0.07 0.04 -0.70 0.23 0.00 0.00 176.35 175.92 1t0y s GLU 8 N -3.12 2.99 -0.16 1.70 2.12 -0.92 -2.12 118.70 119.19 1t0y s GLU 8 Ca 0.19 -0.91 -0.08 0.00 0.36 0.00 0.00 54.97 54.53 1t0y s GLU 8 Cb -0.04 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1t0y s GLU 8 CO 0.07 -0.44 0.12 0.42 -0.54 0.00 0.00 175.26 174.89 1t0y s ILE 9 N 1.44 5.35 0.19 -3.70 1.09 0.11 -0.84 121.20 124.85 1t0y s ILE 9 Ca 0.02 0.16 0.03 0.00 -1.10 0.00 0.00 60.65 59.76 1t0y s ILE 9 Cb -0.17 -3.39 -0.05 0.00 -1.06 0.00 0.00 42.46 37.79 1t0y s ILE 9 CO 0.00 0.52 -0.02 0.42 -0.10 0.00 0.00 174.94 175.77 1t0y s THR 10 N -0.26 0.90 0.22 2.92 -4.23 0.38 -1.46 115.64 114.11 1t0y s THR 10 Ca 0.11 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 1t0y s THR 10 Cb -0.12 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1t0y s THR 10 CO 0.01 -0.48 0.49 -0.89 -0.54 0.00 0.00 174.62 173.21 1t0y s THR 11 N -3.51 0.02 -0.58 3.99 2.01 -1.25 -0.43 115.64 115.89 1t0y s THR 11 Ca 0.24 -1.11 0.24 0.00 0.31 0.00 0.00 61.69 61.36 1t0y s THR 11 Cb 0.05 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1t0y s THR 11 CO 0.05 -0.09 1.19 -0.46 -0.69 0.00 0.00 174.62 174.62 1t0y n ASN 12 N -0.35 0.69 0.11 3.53 6.94 -0.86 -3.49 115.26 121.83 1t0y n ASN 12 Ca -0.06 0.05 0.12 0.00 -0.02 0.00 0.00 54.58 54.67 1t0y n ASN 12 Cb 0.62 0.39 0.25 0.00 -2.36 0.00 0.00 39.78 38.68 1t0y n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t0y h ALA 13 N 2.45 0.81 -2.53 -2.53 0.00 -1.96 -3.45 119.26 112.05 1t0y h ALA 13 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1t0y h ALA 13 Cb 0.77 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1t0y h ALA 13 CO 0.00 0.00 -0.67 0.95 0.00 0.00 0.00 179.25 179.53 1t0y s THR 14 N -3.17 3.36 -0.03 0.00 -4.23 -1.23 -5.03 115.64 105.32 1t0y s THR 14 Ca 0.07 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1t0y s THR 14 Cb 0.11 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1t0y s THR 14 CO 0.67 -0.26 0.08 -0.67 -0.54 0.00 0.00 174.62 173.89 1t0y n ASP 15 N -0.51 3.49 -4.48 3.99 2.03 -1.26 -4.54 116.55 115.28 1t0y n ASP 15 Ca -0.08 -0.11 -0.41 0.00 0.52 0.00 0.00 54.79 54.71 1t0y n ASP 15 Cb 0.57 1.11 -0.11 0.00 -0.72 0.00 0.00 41.12 41.98 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 -2.03 3.23 0.09 -0.67 5.36 -1.26 -5.06 117.98 117.64 1t0y s PHE 16 Ca -0.01 -0.46 -0.31 0.00 -0.96 0.00 0.00 56.93 55.19 1t0y s PHE 16 Cb 0.02 -2.48 -0.08 0.00 -0.34 0.00 0.00 43.02 40.14 1t0y s PHE 16 CO 0.12 -0.47 1.44 -2.14 -1.46 0.00 0.00 175.22 172.71 1t0y s PRO 17 N 1.67 4.29 -0.03 10.12 0.02 -1.26 -4.89 135.00 144.92 1t0y s PRO 17 Ca 0.05 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1t0y s PRO 17 Cb -0.18 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 30.96 1t0y s PRO 17 CO 0.09 -0.52 -0.12 1.41 -0.33 0.00 0.00 177.00 177.54 1t0y s MET 18 N 1.56 2.51 -0.13 5.54 1.75 -0.54 -4.89 119.30 125.10 1t0y s MET 18 Ca 0.66 -0.70 -0.02 0.00 -1.25 0.00 0.00 55.69 54.38 1t0y s MET 18 Cb -0.37 -2.43 -0.03 0.00 2.84 0.00 0.00 34.83 34.85 1t0y s MET 18 CO 0.30 0.62 -0.06 -1.83 -0.65 0.00 0.00 175.02 173.39 1t0y s GLU 19 N -0.98 3.43 -0.02 4.11 1.03 -1.26 0.08 118.70 125.09 1t0y s GLU 19 Ca 0.13 -0.56 -0.20 0.00 0.03 0.00 0.00 54.97 54.37 1t0y s GLU 19 Cb -0.11 -2.79 0.04 0.00 -0.80 0.00 0.00 34.13 30.47 1t0y s GLU 19 CO 0.03 0.33 0.44 0.21 -1.33 0.00 0.00 175.26 174.93 1t0y s LYS 20 N 0.11 0.81 -0.12 -4.83 2.20 -0.90 -4.99 119.74 112.02 1t0y s LYS 20 Ca -0.02 -0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.43 1t0y s LYS 20 Cb -0.14 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1t0y s LYS 20 CO 0.03 -0.24 0.25 0.21 -0.36 0.00 0.00 175.35 175.25 1t0y s LYS 21 N -1.32 3.94 0.14 4.03 2.20 -1.26 -1.82 119.74 125.65 1t0y s LYS 21 Ca -0.12 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1t0y s LYS 21 Cb -0.03 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1t0y s LYS 21 CO 0.06 0.50 -0.03 0.71 -0.36 0.00 0.00 175.35 176.23 1t0y s TYR 22 N -0.30 1.04 0.19 4.03 2.02 -0.18 -4.95 117.35 119.21 1t0y s TYR 22 Ca 0.17 -0.99 -0.30 0.00 -0.37 0.00 0.00 57.07 55.58 1t0y s TYR 22 Cb -0.13 -0.60 -0.08 0.00 -0.40 0.00 0.00 41.96 40.75 1t0y s TYR 22 CO 0.05 -0.20 1.04 -2.14 -1.57 0.00 0.00 175.55 172.73 1t0y s PRO 23 N -3.89 4.67 0.41 -1.71 0.02 -1.26 -0.50 135.00 132.75 1t0y s PRO 23 Ca 0.18 1.63 0.22 0.00 0.02 0.00 0.00 61.00 63.06 1t0y s PRO 23 Cb 0.06 -3.29 0.70 0.00 0.02 0.00 0.00 34.50 31.99 1t0y s PRO 23 CO -0.00 0.21 1.73 0.00 -0.33 0.00 0.00 177.00 178.61 1t0y h ALA 24 N 4.84 0.94 -0.00 -1.55 0.00 -0.88 -3.06 119.26 119.55 1t0y h ALA 24 Ca -0.44 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1t0y h ALA 24 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t0y h ALA 24 CO 0.71 0.31 -0.09 0.41 0.00 0.00 0.00 179.25 180.59 1t0y n GLY 25 N 0.47 -1.16 3.87 0.00 0.00 -1.26 -0.53 105.19 106.58 1t0y n GLY 25 Ca 0.01 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1t0y n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t0y s MET 26 N -2.62 3.47 0.36 1.61 0.00 -1.16 -4.77 119.30 116.18 1t0y s MET 26 Ca 0.25 0.74 -0.16 0.00 0.00 0.00 0.00 55.69 56.53 1t0y s MET 26 Cb 0.20 -2.07 -0.09 0.00 0.00 0.00 0.00 34.83 32.87 1t0y s MET 26 CO 0.49 -0.67 0.79 -1.54 0.00 0.00 0.00 175.02 174.10 1t0y s SER 27 N -4.16 6.78 0.36 1.11 1.04 -1.26 -1.52 113.70 116.05 1t0y s SER 27 Ca 0.56 1.35 0.08 0.00 0.48 0.00 0.00 55.95 58.42 1t0y s SER 27 Cb -0.11 -2.40 0.70 0.00 0.10 0.00 0.00 66.02 64.30 1t0y s SER 27 CO 0.54 -0.26 1.88 0.25 0.98 0.00 0.00 173.24 176.63 1t0y h LEU 28 N 2.06 0.31 -1.81 2.42 5.85 -1.73 -2.90 115.31 119.52 1t0y h LEU 28 Ca -0.48 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1t0y h LEU 28 Cb 1.18 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1t0y h LEU 28 CO 0.64 0.46 -0.02 0.78 -0.34 0.00 0.00 178.44 179.96 1t0y h ASN 29 N 0.31 0.08 -0.22 1.25 2.35 -1.85 0.78 115.58 118.28 1t0y h ASN 29 Ca 0.06 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1t0y h ASN 29 Cb 0.40 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1t0y h ASN 29 CO 0.02 0.12 -0.15 -0.78 -1.65 0.00 0.00 177.43 174.99 1t0y h ASP 30 N 0.09 0.51 -0.58 5.81 1.82 -1.87 -0.65 116.42 121.54 1t0y h ASP 30 Ca 0.02 -0.44 -0.08 0.00 -0.39 0.00 0.00 57.03 56.14 1t0y h ASP 30 Cb 0.10 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1t0y h ASP 30 CO 0.00 0.84 0.04 0.25 -1.61 0.00 0.00 179.24 178.76 1t0y h LEU 31 N 0.18 0.98 -0.31 2.28 7.12 -1.21 -2.14 115.31 122.21 1t0y h LEU 31 Ca 0.04 -0.29 0.05 0.00 0.13 0.00 0.00 57.88 57.82 1t0y h LEU 31 Cb 0.67 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 1t0y h LEU 31 CO 0.04 1.03 0.00 0.11 -0.13 0.00 0.00 178.44 179.49 1t0y h LYS 32 N 0.90 0.09 -0.48 1.25 1.79 0.56 0.11 116.57 120.80 1t0y h LYS 32 Ca 0.17 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1t0y h LYS 32 Cb 0.50 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1t0y h LYS 32 CO 0.02 0.06 0.31 -0.22 -1.08 0.00 0.00 179.45 178.55 1t0y h LYS 33 N 0.10 0.63 -0.30 3.15 1.63 -0.54 0.83 116.57 122.06 1t0y h LYS 33 Ca 0.15 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1t0y h LYS 33 Cb 0.20 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1t0y h LYS 33 CO -0.25 0.42 -0.20 0.87 -3.45 0.00 0.00 179.45 176.84 1t0y h LYS 34 N 0.65 0.67 -0.22 1.90 6.56 -0.77 -0.33 116.57 125.03 1t0y h LYS 34 Ca 0.17 -0.32 -0.01 0.00 -1.06 0.00 0.00 60.65 59.44 1t0y h LYS 34 Cb -0.07 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 1t0y h LYS 34 CO -0.04 0.91 0.10 -0.07 -2.06 0.00 0.00 179.45 178.30 1t0y h LEU 35 N 0.42 0.30 -1.45 2.94 3.38 0.97 -1.80 115.31 120.06 1t0y h LEU 35 Ca 0.06 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1t0y h LEU 35 Cb 0.74 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1t0y h LEU 35 CO 0.05 0.35 0.46 -0.33 0.09 0.00 0.00 178.44 179.06 1t0y h GLU 36 N 0.23 0.62 -0.13 1.13 5.08 0.66 0.30 114.58 122.46 1t0y h GLU 36 Ca 0.08 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1t0y h GLU 36 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1t0y h GLU 36 CO -0.01 0.41 -0.73 1.25 -1.00 0.00 0.00 179.01 178.93 1t0y h LEU 37 N 0.64 0.73 0.22 1.33 5.85 -0.66 0.14 115.31 123.57 1t0y h LEU 37 Ca 0.32 -0.47 -0.29 0.00 0.84 0.00 0.00 57.88 58.28 1t0y h LEU 37 Cb 0.39 -0.22 0.03 0.00 0.37 0.00 0.00 40.66 41.24 1t0y h LEU 37 CO -0.11 1.24 -1.28 0.58 -0.34 0.00 0.00 178.44 178.53 1t0y h VAL 38 N 0.43 1.35 0.00 1.05 2.07 -0.45 -3.36 116.25 117.34 1t0y h VAL 38 Ca -0.04 -2.64 -0.21 0.00 0.82 0.00 0.00 66.70 64.63 1t0y h VAL 38 Cb 1.33 3.09 -0.04 0.00 -1.52 0.00 0.00 31.29 34.16 1t0y h VAL 38 CO 0.14 0.78 -1.54 0.52 0.02 0.00 0.00 177.57 177.49 1t0y n VAL 39 N -3.85 1.32 -0.43 2.57 0.31 0.96 -4.96 118.33 114.25 1t0y n VAL 39 Ca -0.16 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 1t0y n VAL 39 Cb 1.02 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1t0y n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t0y n GLY 40 N 1.46 0.73 3.93 2.92 0.00 0.50 -5.05 105.19 109.67 1t0y n GLY 40 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.71 2.10 0.00 2.61 2.01 -1.20 -4.99 115.64 113.46 1t0y s THR 41 Ca 0.00 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1t0y s THR 41 Cb 0.00 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1t0y s THR 41 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.28 1t0y n THR 42 N -3.27 0.00 -0.04 -0.82 -2.24 -1.26 -4.54 114.28 102.11 1t0y n THR 42 Ca 0.11 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.73 1t0y n THR 42 Cb 0.60 -0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 1t0y n THR 42 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t0y h VAL 43 N 0.02 1.71 0.06 2.28 2.07 -1.96 -3.16 116.25 117.27 1t0y h VAL 43 Ca 0.00 -2.39 -0.25 0.00 0.82 0.00 0.00 66.70 64.87 1t0y h VAL 43 Cb 0.00 3.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1t0y h VAL 43 CO 0.00 0.63 -1.24 -0.78 0.02 0.00 0.00 177.57 176.20 1t0y h ASP 44 N -0.85 0.19 0.74 0.57 3.58 -1.97 -3.13 116.42 115.55 1t0y h ASP 44 Ca -0.04 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1t0y h ASP 44 Cb 1.16 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1t0y h ASP 44 CO 0.03 1.19 0.00 -1.20 -2.88 0.00 0.00 179.24 176.38 1t0y n SER 45 N -3.39 0.00 -4.28 2.28 7.64 -1.26 -4.39 113.62 110.21 1t0y n SER 45 Ca -0.07 0.36 -0.37 0.00 1.01 0.00 0.00 58.87 59.79 1t0y n SER 45 Cb 0.99 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.89 2.72 -0.04 1.43 -2.45 -1.18 -1.79 119.30 115.10 1t0y s MET 46 Ca 0.15 -1.10 -0.12 0.00 -1.25 0.00 0.00 55.69 53.36 1t0y s MET 46 Cb 0.16 -3.42 -0.05 0.00 1.25 0.00 0.00 34.83 32.77 1t0y s MET 46 CO 0.43 -0.61 0.31 0.50 1.05 0.00 0.00 175.02 176.70 1t0y s ARG 47 N 1.42 3.74 -0.14 4.11 6.06 0.53 -4.85 118.95 129.82 1t0y s ARG 47 Ca -0.01 0.21 0.01 0.00 -2.50 0.00 0.00 55.73 53.44 1t0y s ARG 47 Cb -0.19 -3.21 -0.00 0.00 0.06 0.00 0.00 34.95 31.61 1t0y s ARG 47 CO 0.02 0.73 -0.18 0.42 -2.50 0.00 0.00 175.30 173.79 1t0y s ILE 48 N -1.06 2.47 -0.07 4.11 -1.09 -1.26 -0.27 121.20 124.04 1t0y s ILE 48 Ca 0.20 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1t0y s ILE 48 Cb -0.15 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 1t0y s ILE 48 CO 0.10 0.53 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.13 1t0y s GLN 49 N 0.65 2.74 -0.21 2.79 -0.21 0.22 -1.99 119.66 123.65 1t0y s GLN 49 Ca -0.09 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 54.62 1t0y s GLN 49 Cb -0.16 -2.50 -0.00 0.00 1.00 0.00 0.00 33.01 31.35 1t0y s GLN 49 CO 0.02 0.57 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.52 1t0y s LEU 50 N -0.58 2.74 -0.01 2.90 0.20 -0.99 -1.16 118.68 121.79 1t0y s LEU 50 Ca 0.08 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.47 1t0y s LEU 50 Cb -0.12 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 1t0y s LEU 50 CO 0.02 -0.01 0.02 -0.36 -0.29 0.00 0.00 176.35 175.72 1t0y s PHE 51 N 1.41 3.12 0.00 5.38 0.08 -1.12 -1.17 117.98 125.68 1t0y s PHE 51 Ca 0.05 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.21 1t0y s PHE 51 Cb -0.14 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1t0y s PHE 51 CO -0.05 0.48 0.00 -3.47 -0.10 0.00 0.00 175.22 172.08 1t0y n ASP 52 N 1.42 0.00 0.18 1.36 2.03 -1.17 -3.28 116.55 117.09 1t0y n ASP 52 Ca -0.15 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.30 1t0y n ASP 52 Cb 0.53 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.42 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1t0y h GLY 53 N 0.00 0.00 -2.55 0.27 0.00 -1.91 -3.39 103.07 95.49 1t0y h GLY 53 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1t0y h GLY 53 CO 0.00 0.00 -0.24 -0.35 0.00 0.00 0.00 176.54 175.95 1t0y s ASP 54 N -4.96 5.89 0.52 0.19 2.15 -1.26 -5.01 116.67 114.19 1t0y s ASP 54 Ca 0.05 -0.00 0.30 0.00 0.43 0.00 0.00 52.55 53.33 1t0y s ASP 54 Cb 0.09 -1.33 1.11 0.00 -0.30 0.00 0.00 42.92 42.49 1t0y s ASP 54 CO 0.51 -0.56 1.89 -0.78 -0.17 0.00 0.00 175.17 176.06 1t0y h ASP 55 N 0.67 0.00 -4.14 -0.34 3.58 -1.97 -3.45 116.42 110.77 1t0y h ASP 55 Ca -0.46 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.49 1t0y h ASP 55 Cb 1.26 0.00 0.08 0.00 1.72 0.00 0.00 39.33 42.38 1t0y h ASP 55 CO 0.54 0.03 0.40 -1.10 -2.88 0.00 0.00 179.24 176.23 1t0y s GLN 56 N -3.57 3.19 0.00 0.28 -0.21 -1.26 -4.87 119.66 113.23 1t0y s GLN 56 Ca 0.02 1.46 -0.27 0.00 0.02 0.00 0.00 55.36 56.59 1t0y s GLN 56 Cb 0.08 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1t0y s GLN 56 CO 0.58 -0.95 0.87 -1.17 -2.12 0.00 0.00 175.29 172.50 1t0y s LEU 57 N -4.23 4.38 -0.11 2.90 2.96 -1.26 -3.06 118.68 120.27 1t0y s LEU 57 Ca 0.69 1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 1t0y s LEU 57 Cb -0.21 -3.39 -0.27 0.00 0.50 0.00 0.00 46.19 42.82 1t0y s LEU 57 CO 0.33 -0.16 0.47 0.11 -1.32 0.00 0.00 176.35 175.78 1t0y h LYS 58 N 6.48 0.27 0.00 1.98 1.79 -1.50 -3.48 116.57 122.10 1t0y h LYS 58 Ca -0.42 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.59 1t0y h LYS 58 Cb 1.21 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1t0y h LYS 58 CO 0.74 1.22 0.00 0.41 -1.08 0.00 0.00 179.45 180.74 1t0y n GLY 59 N 1.86 -1.02 3.39 3.86 0.00 -1.23 -5.07 105.19 106.97 1t0y n GLY 59 Ca -0.29 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.62 2.65 0.00 1.61 2.12 -1.26 -2.34 118.70 120.85 1t0y s GLU 60 Ca 0.00 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1t0y s GLU 60 Cb 0.00 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 32.05 1t0y s GLU 60 CO 0.00 0.47 0.00 1.47 -0.54 0.00 0.00 175.26 176.66 1t0y n LEU 61 N 2.73 0.00 0.00 2.70 -0.00 -0.84 -4.93 117.00 116.66 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1t0y n LEU 61 CO 0.26 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.72 1t0y n THR 62 N 0.00 0.00 0.00 1.47 5.66 -1.26 -4.15 114.28 116.00 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 -4.90 116.55 121.40 1t0y n ASP 63 Ca 0.00 0.70 0.00 0.00 -0.53 0.00 0.00 54.79 54.96 1t0y n ASP 63 Cb 0.00 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 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 1.79 0.42 0.44 0.00 -1.26 -4.73 105.19 101.52 1t0y n GLY 64 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.45 2.49 -2.45 4.61 0.00 -1.26 -4.18 120.51 120.17 1t0y n ALA 65 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 1t0y n ALA 65 Cb 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.74 0.70 0.81 0.00 -2.85 -1.26 -5.14 119.74 110.25 1t0y s LYS 66 Ca 0.22 -0.99 -0.12 0.00 -1.00 0.00 0.00 55.97 54.08 1t0y s LYS 66 Cb 0.11 0.27 0.08 0.00 -2.06 0.00 0.00 37.83 36.23 1t0y s LYS 66 CO 0.16 -0.18 1.15 -1.54 0.10 0.00 0.00 175.35 175.04 1t0y s SER 67 N -2.67 4.49 0.38 0.03 1.04 -1.26 -4.11 113.70 111.59 1t0y s SER 67 Ca 0.03 0.92 0.17 0.00 0.48 0.00 0.00 55.95 57.55 1t0y s SER 67 Cb 0.04 -1.50 0.77 0.00 0.10 0.00 0.00 66.02 65.43 1t0y s SER 67 CO -0.09 -1.93 1.80 -0.07 0.98 0.00 0.00 173.24 173.93 1t0y h LEU 68 N -1.07 0.00 -0.23 2.42 3.38 -0.99 0.55 115.31 119.37 1t0y h LEU 68 Ca -0.47 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 1t0y h LEU 68 Cb 1.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.07 1t0y h LEU 68 CO 0.64 0.37 -0.64 0.50 0.09 0.00 0.00 178.44 179.40 1t0y h LYS 69 N 0.00 0.84 0.00 1.13 3.11 -1.01 0.38 116.57 121.01 1t0y h LYS 69 Ca -0.00 -0.60 -0.13 0.00 -2.81 0.00 0.00 60.65 57.11 1t0y h LYS 69 Cb 0.76 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.06 1t0y h LYS 69 CO 0.05 1.22 -0.61 0.22 -2.81 0.00 0.00 179.45 177.52 1t0y h ASP 70 N 0.60 0.00 0.98 4.20 3.58 -1.71 -2.15 116.42 121.92 1t0y h ASP 70 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1t0y h ASP 70 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1t0y h ASP 70 CO 0.14 0.61 0.00 0.18 -2.88 0.00 0.00 179.24 177.29 1t0y n LEU 71 N -3.72 0.65 0.00 2.28 4.77 0.15 -4.88 117.00 116.24 1t0y n LEU 71 Ca -0.01 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1t0y n LEU 71 Cb 0.63 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1t0y n LEU 71 CO 0.42 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1t0y n GLY 72 N 0.50 0.76 3.55 -0.72 0.00 -0.81 -4.99 105.19 103.49 1t0y n GLY 72 Ca 0.04 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 3.92 0.05 1.61 1.01 0.13 -4.93 120.40 120.19 1t0y s VAL 73 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1t0y s VAL 73 Cb 0.00 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.38 1t0y s VAL 73 CO 0.00 -1.89 0.04 0.54 0.00 0.00 0.00 175.10 173.79 1t0y n ARG 74 N 8.86 1.43 -2.33 2.72 1.74 -1.26 -4.39 116.66 123.43 1t0y n ARG 74 Ca 0.25 -0.31 -0.38 0.00 -0.77 0.00 0.00 57.85 56.64 1t0y n ARG 74 Cb 0.50 0.04 -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 -0.51 -1.52 0.00 0.00 177.63 175.60 1t0y s ASP 75 N -1.29 6.56 0.00 0.55 1.11 -1.26 -3.34 116.67 119.00 1t0y s ASP 75 Ca 0.03 2.31 0.00 0.00 0.18 0.00 0.00 52.55 55.06 1t0y s ASP 75 Cb -0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1t0y s ASP 75 CO 0.02 -0.64 0.00 0.61 1.18 0.00 0.00 175.17 176.33 1t0y n GLY 76 N 0.61 0.75 3.90 0.21 0.00 -0.73 -4.94 105.19 104.98 1t0y n GLY 76 Ca 0.04 0.00 -0.29 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 -2.67 3.50 -0.07 1.61 1.51 -1.21 -4.49 117.35 115.53 1t0y s TYR 77 Ca 0.00 0.80 0.05 0.00 -1.01 0.00 0.00 57.07 56.91 1t0y s TYR 77 Cb 0.00 -2.25 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 1t0y s TYR 77 CO 0.00 -0.04 -0.22 -0.98 -1.11 0.00 0.00 175.55 173.20 1t0y s ARG 78 N -3.99 2.65 -0.21 -0.62 1.70 -1.21 -2.16 118.95 115.11 1t0y s ARG 78 Ca 0.47 -0.85 -0.03 0.00 -0.47 0.00 0.00 55.73 54.85 1t0y s ARG 78 Cb -0.10 -2.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.03 1t0y s ARG 78 CO 0.34 0.39 -0.08 0.42 -1.08 0.00 0.00 175.30 175.29 1t0y s ILE 79 N -0.17 3.02 -0.14 4.99 -1.09 -0.02 -2.79 121.20 125.00 1t0y s ILE 79 Ca -0.03 -0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 57.70 1t0y s ILE 79 Cb -0.14 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1t0y s ILE 79 CO 0.04 0.42 -0.04 -2.28 -1.23 0.00 0.00 174.94 171.85 1t0y s HIS 80 N 1.42 3.03 0.06 3.97 5.65 -0.31 -0.47 115.29 128.64 1t0y s HIS 80 Ca 0.05 -0.22 0.07 0.00 0.25 0.00 0.00 55.06 55.21 1t0y s HIS 80 Cb -0.14 -1.92 -0.03 0.00 -1.18 0.00 0.00 32.58 29.30 1t0y s HIS 80 CO -0.06 0.04 -0.18 0.00 -0.65 0.00 0.00 174.74 173.90 1t0y s ALA 81 N 0.16 2.63 -0.03 1.58 0.00 0.43 0.72 121.76 127.24 1t0y s ALA 81 Ca -0.01 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1t0y s ALA 81 Cb -0.14 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1t0y s ALA 81 CO 0.03 0.58 -0.05 0.54 0.00 0.00 0.00 175.76 176.86 1t0y s VAL 82 N -0.97 0.48 -0.28 0.00 0.11 0.63 -2.03 120.40 118.34 1t0y s VAL 82 Ca 0.15 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 1t0y s VAL 82 Cb -0.11 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1t0y s VAL 82 CO 0.06 0.18 0.32 -0.62 -3.33 0.00 0.00 175.10 171.72 1t0y s ASP 83 N 0.52 6.18 0.00 3.54 2.15 -1.26 -0.34 116.67 127.46 1t0y s ASP 83 Ca -0.06 0.17 0.20 0.00 0.43 0.00 0.00 52.55 53.28 1t0y s ASP 83 Cb -0.10 -2.18 0.32 0.00 -0.30 0.00 0.00 42.92 40.66 1t0y s ASP 83 CO -0.00 -0.16 1.27 1.33 -0.17 0.00 0.00 175.17 177.44 1t0y n VAL 84 N 5.11 0.42 0.07 1.11 0.24 -0.74 -2.63 118.33 121.91 1t0y n VAL 84 Ca -0.10 -0.71 -0.06 0.00 -2.04 0.00 0.00 64.34 61.43 1t0y n VAL 84 Cb 0.51 1.03 0.10 0.00 -1.47 0.00 0.00 33.84 34.01 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 3.78 1.37 -0.59 3.34 2.02 -1.92 -2.43 112.91 118.49 1t0y h THR 85 Ca 0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1t0y h THR 85 Cb 0.86 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1t0y h THR 85 CO 0.00 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.08 1t0y n GLY 86 N 0.28 2.45 3.33 2.16 0.00 -1.26 -4.93 105.19 107.22 1t0y n GLY 86 Ca -0.03 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 1.33 -0.38 3.65 -0.02 0.00 -0.92 -4.96 105.19 103.91 1t0y n GLY 87 Ca 0.20 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.25 6.55 0.00 1.61 0.01 -1.08 -4.76 114.94 114.03 1t0y s ASN 88 Ca 0.51 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 53.32 1t0y s ASN 88 Cb -0.22 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1t0y s ASN 88 CO 0.63 -0.21 0.10 -1.84 -1.51 0.00 0.00 177.10 174.27 1t0y n GLU 89 N 4.94 0.00 0.00 -0.60 0.28 -1.26 -4.52 120.64 119.47 1t0y n GLU 89 Ca -0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.08 1t0y n GLU 89 Cb 0.50 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.54 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50