#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 4.90 -0.34 3.17 2.01 -1.26 -4.96 115.64 119.15 1t0y s THR 2 Ca 0.00 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1t0y s THR 2 Cb 0.00 -4.10 0.14 0.00 0.01 0.00 0.00 72.50 68.56 1t0y s THR 2 CO 0.00 -0.40 0.30 -0.70 -0.69 0.00 0.00 174.62 173.13 1t0y s GLU 3 N 2.67 0.52 0.11 4.92 2.12 -1.26 -5.11 118.70 122.67 1t0y s GLU 3 Ca 0.22 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1t0y s GLU 3 Cb -0.15 -0.88 -0.04 0.00 0.26 0.00 0.00 34.13 33.32 1t0y s GLU 3 CO 0.16 -1.15 -0.01 0.14 -0.54 0.00 0.00 175.26 173.85 1t0y s VAL 4 N 1.57 0.42 -0.10 3.70 -7.23 -1.26 -0.28 120.40 117.22 1t0y s VAL 4 Ca 0.15 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1t0y s VAL 4 Cb -0.17 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.97 1t0y s VAL 4 CO -0.11 -0.73 -0.20 -0.31 -0.31 0.00 0.00 175.10 173.44 1t0y s TYR 5 N -3.81 2.26 -0.13 2.82 2.02 0.12 -4.74 117.35 115.90 1t0y s TYR 5 Ca 0.16 -0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 55.59 1t0y s TYR 5 Cb 0.07 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 1t0y s TYR 5 CO -0.03 -0.43 1.01 0.16 -1.57 0.00 0.00 175.55 174.69 1t0y s ASP 6 N 0.59 7.21 0.12 2.29 -4.77 -1.26 -0.97 116.67 119.89 1t0y s ASP 6 Ca -0.14 1.50 0.08 0.00 -3.30 0.00 0.00 52.55 50.69 1t0y s ASP 6 Cb -0.17 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.07 1t0y s ASP 6 CO 0.04 -0.49 -0.20 -0.76 0.70 0.00 0.00 175.17 174.46 1t0y s LEU 7 N 2.27 2.34 -0.22 2.11 1.43 -0.61 -1.22 118.68 124.78 1t0y s LEU 7 Ca 0.47 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1t0y s LEU 7 Cb -0.18 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1t0y s LEU 7 CO 0.15 0.02 -0.00 -0.70 0.23 0.00 0.00 176.35 176.05 1t0y s GLU 8 N -2.20 3.53 -0.15 1.70 2.12 -0.98 -0.53 118.70 122.20 1t0y s GLU 8 Ca 0.09 -0.55 -0.13 0.00 0.36 0.00 0.00 54.97 54.74 1t0y s GLU 8 Cb -0.09 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1t0y s GLU 8 CO 0.05 -0.11 0.28 0.42 -0.54 0.00 0.00 175.26 175.36 1t0y s ILE 9 N 1.31 5.30 0.20 -3.70 -1.09 -0.41 0.10 121.20 122.91 1t0y s ILE 9 Ca 0.04 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 59.03 1t0y s ILE 9 Cb -0.15 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1t0y s ILE 9 CO 0.00 0.42 -0.04 0.42 -1.23 0.00 0.00 174.94 174.51 1t0y s THR 10 N 0.25 1.10 0.20 2.92 -4.23 -0.06 -1.47 115.64 114.35 1t0y s THR 10 Ca 0.17 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1t0y s THR 10 Cb -0.13 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1t0y s THR 10 CO 0.04 -0.49 0.05 0.42 -0.54 0.00 0.00 174.62 174.10 1t0y s THR 11 N -3.38 0.53 -0.49 3.99 -4.23 -1.26 -0.42 115.64 110.37 1t0y s THR 11 Ca 0.24 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 59.01 1t0y s THR 11 Cb 0.04 -2.29 0.14 0.00 1.34 0.00 0.00 72.50 71.73 1t0y s THR 11 CO 0.06 -0.30 1.38 -0.55 -0.54 0.00 0.00 174.62 174.67 1t0y h ASN 12 N 2.62 0.00 0.44 3.99 -1.07 -1.89 -3.35 115.58 116.32 1t0y h ASN 12 Ca -0.37 -0.07 -0.30 0.00 0.07 0.00 0.00 56.30 55.63 1t0y h ASN 12 Cb 1.22 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.42 1t0y h ASN 12 CO 0.61 0.03 -1.75 0.00 0.07 0.00 0.00 177.43 176.39 1t0y n ALA 13 N -1.99 1.42 -2.57 4.14 0.00 -1.26 -4.90 120.51 115.36 1t0y n ALA 13 Ca 0.03 -0.75 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 1t0y n ALA 13 Cb 0.49 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1t0y n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1t0y s THR 14 N -2.59 3.21 -1.82 0.00 2.01 -1.26 -5.00 115.64 110.18 1t0y s THR 14 Ca -0.07 -1.56 0.17 0.00 0.31 0.00 0.00 61.69 60.53 1t0y s THR 14 Cb 0.08 -2.56 0.29 0.00 0.01 0.00 0.00 72.50 70.32 1t0y s THR 14 CO 0.82 -0.05 1.21 0.47 -0.69 0.00 0.00 174.62 176.38 1t0y n ASP 15 N 0.23 2.91 -4.45 3.53 8.00 -1.26 -4.29 116.55 121.22 1t0y n ASP 15 Ca -0.12 -1.85 -0.38 0.00 0.71 0.00 0.00 54.79 53.15 1t0y n ASP 15 Cb 0.55 -0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.36 1t0y n ASP 15 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1t0y s PHE 16 N -1.23 3.17 0.18 1.24 5.36 -1.26 -5.08 117.98 120.36 1t0y s PHE 16 Ca 0.28 -0.53 -0.21 0.00 -0.96 0.00 0.00 56.93 55.50 1t0y s PHE 16 Cb 0.16 -2.35 -0.08 0.00 -0.34 0.00 0.00 43.02 40.42 1t0y s PHE 16 CO 0.23 -0.44 0.72 -1.25 -1.46 0.00 0.00 175.22 173.02 1t0y s PRO 17 N 1.62 4.35 -0.07 10.12 0.04 -1.26 -4.78 135.00 145.02 1t0y s PRO 17 Ca 0.05 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 1t0y s PRO 17 Cb -0.17 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1t0y s PRO 17 CO 0.06 0.50 -0.02 1.41 0.04 0.00 0.00 177.00 178.99 1t0y s MET 18 N -1.55 0.83 0.31 4.56 1.75 -0.54 -4.92 119.30 119.74 1t0y s MET 18 Ca 0.38 -0.01 -0.25 0.00 -1.25 0.00 0.00 55.69 54.56 1t0y s MET 18 Cb -0.19 -1.04 -0.10 0.00 2.84 0.00 0.00 34.83 36.34 1t0y s MET 18 CO 0.22 -0.23 0.91 -1.83 -0.65 0.00 0.00 175.02 173.44 1t0y s GLU 19 N 1.63 4.51 -0.16 4.11 -1.05 -1.26 -1.29 118.70 125.18 1t0y s GLU 19 Ca 0.00 1.24 -0.09 0.00 -0.15 0.00 0.00 54.97 55.97 1t0y s GLU 19 Cb -0.13 -2.78 0.06 0.00 -0.44 0.00 0.00 34.13 30.83 1t0y s GLU 19 CO -0.04 0.28 0.39 0.15 0.95 0.00 0.00 175.26 177.00 1t0y s LYS 20 N -2.10 0.38 -0.10 -4.83 -0.14 0.31 -4.93 119.74 108.33 1t0y s LYS 20 Ca 0.49 0.75 -0.12 0.00 -1.36 0.00 0.00 55.97 55.73 1t0y s LYS 20 Cb -0.18 -0.02 -0.05 0.00 -1.68 0.00 0.00 37.83 35.91 1t0y s LYS 20 CO 0.23 -0.15 0.29 -1.59 -0.76 0.00 0.00 175.35 173.37 1t0y s LYS 21 N 1.30 3.95 0.08 1.68 -2.85 -1.26 -1.57 119.74 121.07 1t0y s LYS 21 Ca -0.09 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.10 1t0y s LYS 21 Cb -0.08 -3.30 -0.03 0.00 -2.06 0.00 0.00 37.83 32.35 1t0y s LYS 21 CO -0.11 0.51 -0.21 0.71 0.10 0.00 0.00 175.35 176.35 1t0y s TYR 22 N -0.37 1.79 0.48 1.78 2.02 -0.14 -4.89 117.35 118.01 1t0y s TYR 22 Ca 0.18 -0.40 -0.24 0.00 -0.37 0.00 0.00 57.07 56.24 1t0y s TYR 22 Cb -0.14 -1.02 -0.07 0.00 -0.40 0.00 0.00 41.96 40.33 1t0y s TYR 22 CO 0.07 0.15 1.41 -2.14 -1.57 0.00 0.00 175.55 173.47 1t0y s PRO 23 N -1.58 3.54 0.52 -1.71 0.02 -1.26 0.16 135.00 134.69 1t0y s PRO 23 Ca 0.07 2.37 0.21 0.00 0.02 0.00 0.00 61.00 63.67 1t0y s PRO 23 Cb -0.09 -2.55 1.33 0.00 0.02 0.00 0.00 34.50 33.21 1t0y s PRO 23 CO 0.03 -0.92 2.06 0.00 -0.33 0.00 0.00 177.00 177.84 1t0y h ALA 24 N 2.09 2.27 -0.31 -1.55 0.00 -0.93 -0.39 119.26 120.43 1t0y h ALA 24 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1t0y h ALA 24 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1t0y h ALA 24 CO 0.60 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1t0y n GLY 25 N -1.59 0.88 3.80 0.00 0.00 -1.26 -1.46 105.19 105.55 1t0y n GLY 25 Ca 0.04 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.59 4.45 0.40 1.61 0.00 -0.16 -4.79 119.30 119.22 1t0y s MET 26 Ca 0.33 1.24 -0.12 0.00 0.00 0.00 0.00 55.69 57.14 1t0y s MET 26 Cb 0.18 -2.60 -0.07 0.00 0.00 0.00 0.00 34.83 32.34 1t0y s MET 26 CO 0.26 0.18 0.78 -1.54 0.00 0.00 0.00 175.02 174.70 1t0y s SER 27 N -1.81 6.58 0.38 1.11 1.04 -1.26 -1.02 113.70 118.71 1t0y s SER 27 Ca 0.54 1.20 0.15 0.00 0.48 0.00 0.00 55.95 58.32 1t0y s SER 27 Cb -0.15 -2.35 0.75 0.00 0.10 0.00 0.00 66.02 64.37 1t0y s SER 27 CO 0.20 -0.38 1.82 0.25 0.98 0.00 0.00 173.24 176.11 1t0y h LEU 28 N 1.40 0.00 -0.65 2.42 7.12 -1.73 -2.68 115.31 121.20 1t0y h LEU 28 Ca -0.47 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.51 1t0y h LEU 28 Cb 1.18 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.29 1t0y h LEU 28 CO 0.64 0.37 0.29 0.78 -0.13 0.00 0.00 178.44 180.39 1t0y h ASN 29 N 0.00 0.87 -0.40 1.25 2.35 -1.83 0.49 115.58 118.31 1t0y h ASN 29 Ca -0.00 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.45 1t0y h ASN 29 Cb 0.70 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1t0y h ASN 29 CO 0.05 0.78 -0.31 -0.78 -1.65 0.00 0.00 177.43 175.52 1t0y h ASP 30 N 0.90 0.98 -0.54 5.81 1.82 -1.85 0.85 116.42 124.39 1t0y h ASP 30 Ca 0.22 -0.41 -0.08 0.00 -0.39 0.00 0.00 57.03 56.37 1t0y h ASP 30 Cb 0.16 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 1t0y h ASP 30 CO -0.02 1.20 0.04 0.25 -1.61 0.00 0.00 179.24 179.09 1t0y h LEU 31 N 0.78 0.90 0.10 2.28 6.46 -1.14 -0.16 115.31 124.53 1t0y h LEU 31 Ca 0.08 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1t0y h LEU 31 Cb 0.89 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1t0y h LEU 31 CO 0.08 0.96 -0.12 0.11 -0.62 0.00 0.00 178.44 178.86 1t0y h LYS 32 N 0.80 -0.24 -0.01 1.25 1.79 0.25 0.18 116.57 120.59 1t0y h LYS 32 Ca 0.16 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.58 1t0y h LYS 32 Cb 0.48 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1t0y h LYS 32 CO 0.02 -0.16 -0.30 -0.22 -1.08 0.00 0.00 179.45 177.71 1t0y h LYS 33 N -0.25 0.02 -0.42 3.15 1.63 -0.56 0.66 116.57 120.80 1t0y h LYS 33 Ca 0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1t0y h LYS 33 Cb 0.25 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1t0y h LYS 33 CO -0.04 0.32 0.15 -0.22 -3.45 0.00 0.00 179.45 176.22 1t0y h LYS 34 N 0.02 0.64 -0.33 1.90 1.63 -0.70 0.16 116.57 119.90 1t0y h LYS 34 Ca 0.00 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 1t0y h LYS 34 Cb 0.55 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1t0y h LYS 34 CO 0.04 0.61 0.10 -0.07 -3.45 0.00 0.00 179.45 176.68 1t0y h LEU 35 N 0.54 0.48 -1.44 5.20 3.38 0.56 -2.53 115.31 121.50 1t0y h LEU 35 Ca 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1t0y h LEU 35 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1t0y h LEU 35 CO -0.01 0.56 -0.20 -0.33 0.09 0.00 0.00 178.44 178.55 1t0y h GLU 36 N 0.37 0.11 -0.30 1.13 4.39 0.41 0.50 114.58 121.20 1t0y h GLU 36 Ca 0.10 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1t0y h GLU 36 Cb 0.25 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1t0y h GLU 36 CO -0.00 0.32 -0.14 1.25 -1.16 0.00 0.00 179.01 179.28 1t0y h LEU 37 N 0.11 0.51 0.18 1.33 5.85 -0.40 0.47 115.31 123.36 1t0y h LEU 37 Ca 0.02 -0.14 -0.34 0.00 0.84 0.00 0.00 57.88 58.26 1t0y h LEU 37 Cb 0.43 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1t0y h LEU 37 CO 0.03 0.68 -1.66 0.58 -0.34 0.00 0.00 178.44 177.73 1t0y h VAL 38 N 0.48 1.04 0.00 1.05 2.07 -0.74 -3.36 116.25 116.79 1t0y h VAL 38 Ca 0.09 -2.62 -0.19 0.00 0.82 0.00 0.00 66.70 64.80 1t0y h VAL 38 Cb 0.52 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1t0y h VAL 38 CO 0.03 0.84 -1.19 0.58 0.02 0.00 0.00 177.57 177.85 1t0y h VAL 39 N 0.10 0.89 -0.02 2.57 2.07 -0.06 -3.48 116.25 118.33 1t0y h VAL 39 Ca -0.31 -2.48 -0.01 0.00 0.82 0.00 0.00 66.70 64.73 1t0y h VAL 39 Cb 2.09 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1t0y h VAL 39 CO 0.19 0.51 -0.01 0.61 0.02 0.00 0.00 177.57 178.89 1t0y n GLY 40 N 1.38 0.47 2.94 2.17 0.00 0.17 -5.03 105.19 107.29 1t0y n GLY 40 Ca -0.07 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.93 0.00 -4.17 2.61 -1.04 -1.22 -5.03 114.28 102.50 1t0y n THR 41 Ca -0.00 -1.39 -0.23 0.00 -2.04 0.00 0.00 64.05 60.39 1t0y n THR 41 Cb 0.04 -0.73 -0.05 0.00 -1.82 0.00 0.00 70.33 67.76 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 -1.86 4.12 0.28 12.58 -4.23 -1.26 -4.81 115.64 120.47 1t0y s THR 42 Ca 0.47 -1.52 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 1t0y s THR 42 Cb -0.03 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.87 1t0y s THR 42 CO 0.30 -0.32 1.94 0.58 -0.54 0.00 0.00 174.62 176.58 1t0y h VAL 43 N 1.72 1.19 -0.05 2.29 2.07 -1.96 -1.74 116.25 119.76 1t0y h VAL 43 Ca -0.47 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1t0y h VAL 43 Cb 1.24 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1t0y h VAL 43 CO 0.61 0.22 -0.59 -0.78 0.02 0.00 0.00 177.57 177.05 1t0y h ASP 44 N 1.20 0.20 0.51 0.57 3.58 -2.02 -2.97 116.42 117.49 1t0y h ASP 44 Ca 0.36 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1t0y h ASP 44 Cb -0.06 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1t0y h ASP 44 CO -0.09 0.74 -0.17 -1.20 -2.88 0.00 0.00 179.24 175.64 1t0y n SER 45 N -3.87 0.41 -3.80 2.28 7.64 -0.80 -4.64 113.62 110.84 1t0y n SER 45 Ca -0.02 -0.31 -0.28 0.00 1.01 0.00 0.00 58.87 59.27 1t0y n SER 45 Cb 0.60 -0.08 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.69 0.97 -0.04 1.43 -2.45 -0.72 0.05 119.30 115.84 1t0y s MET 46 Ca 0.22 -0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 54.16 1t0y s MET 46 Cb 0.19 -2.06 -0.04 0.00 1.25 0.00 0.00 34.83 34.18 1t0y s MET 46 CO 0.53 -0.56 0.05 0.50 1.05 0.00 0.00 175.02 176.60 1t0y s ARG 47 N 1.75 3.05 -0.24 4.11 3.52 0.92 -4.74 118.95 127.32 1t0y s ARG 47 Ca -0.01 -0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1t0y s ARG 47 Cb -0.17 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1t0y s ARG 47 CO -0.07 0.68 0.12 0.42 -0.81 0.00 0.00 175.30 175.63 1t0y s ILE 48 N -1.06 4.91 0.01 4.11 -1.09 -1.26 -0.02 121.20 126.80 1t0y s ILE 48 Ca 0.18 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.69 1t0y s ILE 48 Cb -0.12 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 1t0y s ILE 48 CO 0.08 0.35 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.86 1t0y s GLN 49 N 1.21 2.17 -0.15 2.79 -0.21 0.12 -2.24 119.66 123.34 1t0y s GLN 49 Ca 0.06 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 1t0y s GLN 49 Cb -0.14 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.64 1t0y s GLN 49 CO 0.05 0.56 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.49 1t0y s LEU 50 N -1.19 2.72 -0.08 2.90 0.20 0.12 0.21 118.68 123.56 1t0y s LEU 50 Ca 0.13 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1t0y s LEU 50 Cb -0.10 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 1t0y s LEU 50 CO 0.04 0.11 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.70 1t0y s PHE 51 N 0.67 2.73 0.00 5.38 0.40 0.21 -0.99 117.98 126.38 1t0y s PHE 51 Ca -0.06 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1t0y s PHE 51 Cb -0.15 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1t0y s PHE 51 CO 0.02 0.04 0.00 -0.40 0.70 0.00 0.00 175.22 175.59 1t0y n ASP 52 N 2.72 0.00 -2.57 1.36 5.75 -1.26 0.04 116.55 122.60 1t0y n ASP 52 Ca -0.17 -0.14 -0.20 0.00 -0.01 0.00 0.00 54.79 54.26 1t0y n ASP 52 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.52 1t0y n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1t0y n GLY 53 N 5.00 3.22 0.28 6.12 0.00 -1.26 -4.61 105.19 113.95 1t0y n GLY 53 Ca 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 46.02 44.86 1t0y n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t0y n ASP 54 N 3.07 -0.14 0.03 1.61 2.03 -1.26 -5.04 116.55 116.84 1t0y n ASP 54 Ca 0.50 -1.08 -0.03 0.00 0.52 0.00 0.00 54.79 54.70 1t0y n ASP 54 Cb 0.55 0.23 -0.09 0.00 -0.72 0.00 0.00 41.12 41.09 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1t0y h ASP 55 N 0.14 0.00 -4.19 1.67 3.58 -2.00 -3.47 116.42 112.15 1t0y h ASP 55 Ca -0.02 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.90 1t0y h ASP 55 Cb 0.09 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.29 1t0y h ASP 55 CO 0.03 0.73 0.38 -1.10 -2.88 0.00 0.00 179.24 176.39 1t0y s GLN 56 N -2.81 2.10 0.11 0.28 -0.21 -1.26 -4.98 119.66 112.88 1t0y s GLN 56 Ca -0.03 1.71 -0.27 0.00 0.02 0.00 0.00 55.36 56.79 1t0y s GLN 56 Cb 0.08 -1.83 -0.06 0.00 1.00 0.00 0.00 33.01 32.20 1t0y s GLN 56 CO 0.81 -1.85 0.86 -1.17 -2.12 0.00 0.00 175.29 171.81 1t0y s LEU 57 N -5.26 4.51 -0.07 2.90 2.96 -1.26 -4.00 118.68 118.46 1t0y s LEU 57 Ca 0.73 1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 56.13 1t0y s LEU 57 Cb -0.28 -3.41 -0.29 0.00 0.50 0.00 0.00 46.19 42.71 1t0y s LEU 57 CO 0.46 0.03 0.69 0.50 -1.32 0.00 0.00 176.35 176.71 1t0y h LYS 58 N 5.25 0.30 0.00 1.98 3.11 -1.40 -3.47 116.57 122.35 1t0y h LYS 58 Ca -0.44 -0.51 0.00 0.00 -2.81 0.00 0.00 60.65 56.89 1t0y h LYS 58 Cb 1.21 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 1t0y h LYS 58 CO 0.70 1.24 0.00 0.41 -2.81 0.00 0.00 179.45 178.99 1t0y n GLY 59 N 1.73 -0.32 3.34 5.01 0.00 -0.94 -5.03 105.19 108.97 1t0y n GLY 59 Ca -0.22 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1t0y n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t0y s GLU 60 N -2.00 3.18 0.00 1.61 2.12 -1.26 -0.70 118.70 121.64 1t0y s GLU 60 Ca 0.00 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1t0y s GLU 60 Cb 0.00 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.89 1t0y s GLU 60 CO 0.00 0.25 0.00 1.47 -0.54 0.00 0.00 175.26 176.44 1t0y n LEU 61 N 3.39 0.00 0.00 2.70 -0.00 -0.95 -4.97 117.00 117.17 1t0y n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1t0y n LEU 61 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1t0y n LEU 61 CO 0.29 0.00 0.00 1.07 -0.00 0.00 0.00 177.39 178.75 1t0y n THR 62 N 0.00 0.00 -2.77 1.47 5.66 -1.26 -4.94 114.28 112.44 1t0y n THR 62 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1t0y n THR 62 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -3.10 6.79 0.00 1.09 1.01 -1.26 -4.82 116.67 116.38 1t0y s ASP 63 Ca 0.00 0.83 0.08 0.00 0.71 0.00 0.00 52.55 54.17 1t0y s ASP 63 Cb 0.00 -2.48 0.22 0.00 1.01 0.00 0.00 42.92 41.67 1t0y s ASP 63 CO 0.00 -0.79 1.16 0.61 0.21 0.00 0.00 175.17 176.36 1t0y n GLY 64 N 4.07 2.51 0.00 0.21 0.00 -1.26 -4.25 105.19 106.47 1t0y n GLY 64 Ca 0.08 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 0.29 2.26 -2.37 4.61 0.00 -1.26 -4.18 120.51 119.87 1t0y n ALA 65 Ca 0.08 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1t0y n ALA 65 Cb 0.37 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.86 1.30 0.71 0.00 -2.85 -1.26 -5.10 119.74 109.68 1t0y s LYS 66 Ca 0.17 -1.54 -0.07 0.00 -1.00 0.00 0.00 55.97 53.53 1t0y s LYS 66 Cb 0.18 -1.12 0.07 0.00 -2.06 0.00 0.00 37.83 34.89 1t0y s LYS 66 CO 0.46 0.19 1.02 -1.54 0.10 0.00 0.00 175.35 175.58 1t0y s SER 67 N -3.18 4.74 0.44 0.03 1.04 -1.26 -3.77 113.70 111.75 1t0y s SER 67 Ca 0.21 0.41 0.10 0.00 0.48 0.00 0.00 55.95 57.15 1t0y s SER 67 Cb -0.02 -1.03 0.99 0.00 0.10 0.00 0.00 66.02 66.06 1t0y s SER 67 CO 0.06 -1.64 2.07 -0.07 0.98 0.00 0.00 173.24 174.65 1t0y h LEU 68 N -0.62 0.34 -0.08 2.42 3.38 -0.78 0.21 115.31 120.17 1t0y h LEU 68 Ca -0.44 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.31 1t0y h LEU 68 Cb 1.31 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1t0y h LEU 68 CO 0.59 0.24 -0.78 0.50 0.09 0.00 0.00 178.44 179.07 1t0y h LYS 69 N 0.39 0.67 -0.01 1.13 3.64 -1.50 0.44 116.57 121.35 1t0y h LYS 69 Ca 0.13 -0.62 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1t0y h LYS 69 Cb 0.04 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1t0y h LYS 69 CO -0.03 1.22 -0.49 0.22 -2.27 0.00 0.00 179.45 178.11 1t0y h ASP 70 N 0.34 0.02 0.79 4.20 1.82 -1.68 -2.65 116.42 119.27 1t0y h ASP 70 Ca -0.07 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1t0y h ASP 70 Cb 1.43 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1t0y h ASP 70 CO 0.16 0.50 0.00 0.18 -1.61 0.00 0.00 179.24 178.47 1t0y n LEU 71 N -3.96 0.25 0.00 2.28 4.77 0.68 -4.89 117.00 116.13 1t0y n LEU 71 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1t0y n LEU 71 Cb 0.51 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1t0y n LEU 71 CO 0.41 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1t0y n GLY 72 N 0.52 0.43 3.65 -0.72 0.00 -0.89 -4.99 105.19 103.20 1t0y n GLY 72 Ca 0.04 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 4.43 0.53 1.61 1.01 0.09 -5.01 120.40 121.07 1t0y s VAL 73 Ca 0.00 1.72 0.07 0.00 0.00 0.00 0.00 61.98 63.76 1t0y s VAL 73 Cb 0.00 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1t0y s VAL 73 CO 0.00 -0.23 0.50 -0.13 0.00 0.00 0.00 175.10 175.25 1t0y s ARG 74 N 3.48 2.31 0.46 2.72 0.52 -1.26 -4.55 118.95 122.62 1t0y s ARG 74 Ca 0.50 -1.85 -0.17 0.00 -0.52 0.00 0.00 55.73 53.69 1t0y s ARG 74 Cb -0.18 -2.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.92 1t0y s ARG 74 CO 0.12 -0.62 0.92 0.16 0.02 0.00 0.00 175.30 175.90 1t0y s ASP 75 N -4.36 6.72 0.00 0.23 -4.77 -1.26 -3.44 116.67 109.79 1t0y s ASP 75 Ca 0.43 1.52 0.00 0.00 -3.30 0.00 0.00 52.55 51.20 1t0y s ASP 75 Cb -0.03 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 1t0y s ASP 75 CO 0.27 -0.45 0.00 0.61 0.70 0.00 0.00 175.17 176.29 1t0y n GLY 76 N -1.13 0.81 3.92 2.12 0.00 -0.36 -4.94 105.19 105.62 1t0y n GLY 76 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.21 3.48 -0.05 1.61 1.51 -1.22 -4.25 117.35 115.23 1t0y s TYR 77 Ca 0.00 0.42 0.06 0.00 -1.01 0.00 0.00 57.07 56.55 1t0y s TYR 77 Cb 0.00 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1t0y s TYR 77 CO 0.00 0.26 -0.24 -0.98 -1.11 0.00 0.00 175.55 173.47 1t0y s ARG 78 N -3.64 2.46 -0.31 -0.62 1.70 0.11 -2.32 118.95 116.32 1t0y s ARG 78 Ca 0.40 -0.90 -0.11 0.00 -0.47 0.00 0.00 55.73 54.66 1t0y s ARG 78 Cb -0.10 -2.15 -0.02 0.00 -0.57 0.00 0.00 34.95 32.10 1t0y s ARG 78 CO 0.31 0.44 0.19 0.42 -1.08 0.00 0.00 175.30 175.57 1t0y s ILE 79 N -0.29 5.01 -0.19 4.99 -1.09 0.12 -0.62 121.20 129.12 1t0y s ILE 79 Ca 0.00 -0.20 -0.05 0.00 -2.23 0.00 0.00 60.65 58.18 1t0y s ILE 79 Cb -0.13 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1t0y s ILE 79 CO 0.02 0.09 0.00 -2.28 -1.23 0.00 0.00 174.94 171.55 1t0y s HIS 80 N 1.69 3.06 -0.25 3.97 5.65 0.13 -0.88 115.29 128.67 1t0y s HIS 80 Ca 0.06 -0.35 -0.11 0.00 0.25 0.00 0.00 55.06 54.91 1t0y s HIS 80 Cb -0.17 -2.06 -0.05 0.00 -1.18 0.00 0.00 32.58 29.12 1t0y s HIS 80 CO 0.09 -0.15 0.17 0.00 -0.65 0.00 0.00 174.74 174.20 1t0y s ALA 81 N 0.79 3.59 -0.10 1.58 0.00 0.43 0.13 121.76 128.19 1t0y s ALA 81 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1t0y s ALA 81 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1t0y s ALA 81 CO 0.02 -0.27 -0.16 0.54 0.00 0.00 0.00 175.76 175.89 1t0y s VAL 82 N 1.21 2.82 -0.07 0.00 0.11 0.97 -2.46 120.40 122.98 1t0y s VAL 82 Ca 0.07 -0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 58.07 1t0y s VAL 82 Cb -0.14 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 1t0y s VAL 82 CO 0.06 0.55 0.96 -0.62 -3.33 0.00 0.00 175.10 172.72 1t0y s ASP 83 N 0.01 7.25 0.00 3.54 2.15 -1.26 -0.06 116.67 128.30 1t0y s ASP 83 Ca -0.05 1.52 0.13 0.00 0.43 0.00 0.00 52.55 54.58 1t0y s ASP 83 Cb -0.15 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.04 1t0y s ASP 83 CO 0.05 -0.35 0.93 0.52 -0.17 0.00 0.00 175.17 176.14 1t0y n VAL 84 N 4.26 0.01 0.10 1.11 0.31 0.11 -0.54 118.33 123.69 1t0y n VAL 84 Ca 0.07 -0.51 -0.15 0.00 -0.01 0.00 0.00 64.34 63.74 1t0y n VAL 84 Cb 0.50 1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 34.57 1t0y n VAL 84 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1t0y h THR 85 N 2.60 1.52 -0.02 2.52 2.02 -1.88 -3.14 112.91 116.54 1t0y h THR 85 Ca 0.00 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1t0y h THR 85 Cb 0.56 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1t0y h THR 85 CO 0.00 0.89 -0.03 0.61 0.37 0.00 0.00 175.52 177.36 1t0y n GLY 86 N 1.46 -0.04 2.72 2.16 0.00 -1.26 -5.02 105.19 105.21 1t0y n GLY 86 Ca -0.07 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.82 -1.04 3.87 -0.02 0.00 -1.19 -5.03 105.19 102.61 1t0y n GLY 87 Ca 0.08 0.35 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.76 6.58 -0.23 1.61 0.02 0.30 -4.76 114.94 115.70 1t0y s ASN 88 Ca 0.01 0.68 -0.02 0.00 -1.02 0.00 0.00 52.86 52.50 1t0y s ASN 88 Cb -0.00 -2.14 0.01 0.00 0.02 0.00 0.00 41.25 39.14 1t0y s ASN 88 CO 0.59 0.26 0.05 -0.62 0.02 0.00 0.00 177.10 177.40 1t0y n GLU 89 N 1.29 -3.06 0.00 -0.60 -0.58 -1.26 -4.65 120.64 111.78 1t0y n GLU 89 Ca -0.12 2.50 0.00 0.00 -0.42 0.00 0.00 57.16 59.12 1t0y n GLU 89 Cb 0.53 -4.50 0.00 0.00 -0.57 0.00 0.00 31.44 26.89 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18