#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 5.23 0.10 1.12 -4.23 -1.26 -4.87 115.64 111.73 1t0y s THR 2 Ca 0.00 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.15 1t0y s THR 2 Cb 0.00 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1t0y s THR 2 CO 0.00 -0.23 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.16 1t0y s GLU 3 N 1.81 2.23 -0.01 3.99 8.01 -1.26 -5.01 118.70 128.46 1t0y s GLU 3 Ca 0.07 -0.98 0.03 0.00 0.01 0.00 0.00 54.97 54.10 1t0y s GLU 3 Cb -0.18 -2.36 -0.00 0.00 -4.31 0.00 0.00 34.13 27.27 1t0y s GLU 3 CO 0.11 0.51 -0.09 0.14 0.01 0.00 0.00 175.26 175.94 1t0y s VAL 4 N -1.25 0.76 -0.01 2.63 -7.23 -1.26 0.14 120.40 114.19 1t0y s VAL 4 Ca 0.23 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 60.08 1t0y s VAL 4 Cb -0.11 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1t0y s VAL 4 CO 0.15 0.22 -0.25 -0.72 -0.31 0.00 0.00 175.10 174.19 1t0y s TYR 5 N -0.11 2.21 -0.24 2.82 -0.85 0.94 -4.84 117.35 117.29 1t0y s TYR 5 Ca 0.02 -0.41 -0.09 0.00 -0.52 0.00 0.00 57.07 56.07 1t0y s TYR 5 Cb -0.05 -1.40 -0.04 0.00 0.38 0.00 0.00 41.96 40.85 1t0y s TYR 5 CO -0.00 -0.01 0.11 -0.51 -1.52 0.00 0.00 175.55 173.63 1t0y s ASP 6 N -0.71 5.66 0.18 -0.18 1.11 -1.26 -0.67 116.67 120.80 1t0y s ASP 6 Ca 0.10 -0.03 0.09 0.00 0.18 0.00 0.00 52.55 52.90 1t0y s ASP 6 Cb -0.10 -2.02 -0.04 0.00 1.07 0.00 0.00 42.92 41.84 1t0y s ASP 6 CO -0.00 0.03 -0.20 -0.76 1.18 0.00 0.00 175.17 175.42 1t0y s LEU 7 N 1.22 2.45 -0.30 1.23 1.43 -0.41 -1.24 118.68 123.07 1t0y s LEU 7 Ca 0.06 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1t0y s LEU 7 Cb -0.14 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.17 1t0y s LEU 7 CO 0.05 0.00 0.06 -0.70 0.23 0.00 0.00 176.35 176.00 1t0y s GLU 8 N -2.85 2.95 -0.12 1.70 2.12 -0.55 -2.01 118.70 119.94 1t0y s GLU 8 Ca 0.18 -0.95 -0.13 0.00 0.36 0.00 0.00 54.97 54.43 1t0y s GLU 8 Cb -0.06 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 1t0y s GLU 8 CO 0.08 -0.49 0.31 0.42 -0.54 0.00 0.00 175.26 175.04 1t0y s ILE 9 N 1.45 5.26 0.24 -3.70 -1.09 0.15 -0.83 121.20 122.69 1t0y s ILE 9 Ca 0.01 0.59 0.09 0.00 -2.23 0.00 0.00 60.65 59.11 1t0y s ILE 9 Cb -0.18 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1t0y s ILE 9 CO 0.01 0.46 -0.15 0.42 -1.23 0.00 0.00 174.94 174.45 1t0y s THR 10 N -0.04 1.97 0.21 2.92 -4.23 0.13 -0.39 115.64 116.20 1t0y s THR 10 Ca 0.18 -2.26 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 1t0y s THR 10 Cb -0.14 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.50 1t0y s THR 10 CO 0.06 -0.48 0.44 -0.89 -0.54 0.00 0.00 174.62 173.21 1t0y s THR 11 N -2.82 0.03 -0.81 3.99 2.01 -1.25 -0.43 115.64 116.35 1t0y s THR 11 Ca 0.26 -1.19 0.27 0.00 0.31 0.00 0.00 61.69 61.33 1t0y s THR 11 Cb -0.01 -1.89 0.22 0.00 0.01 0.00 0.00 72.50 70.83 1t0y s THR 11 CO 0.10 -0.13 1.73 -0.46 -0.69 0.00 0.00 174.62 175.17 1t0y n ASN 12 N -0.32 0.55 -0.01 3.53 6.94 -0.84 -3.34 115.26 121.78 1t0y n ASN 12 Ca -0.06 0.43 0.09 0.00 -0.02 0.00 0.00 54.58 55.02 1t0y n ASN 12 Cb 0.62 -0.50 -0.15 0.00 -2.36 0.00 0.00 39.78 37.39 1t0y n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t0y n ALA 13 N -1.69 2.66 -2.86 -2.53 0.00 -1.26 -4.88 120.51 109.95 1t0y n ALA 13 Ca 0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 1t0y n ALA 13 Cb 0.40 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.41 5.10 -0.19 0.00 -4.23 -1.21 -5.00 115.64 106.70 1t0y s THR 14 Ca -0.07 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 1t0y s THR 14 Cb 0.13 -3.43 -0.15 0.00 1.34 0.00 0.00 72.50 70.39 1t0y s THR 14 CO 0.89 0.23 -0.11 0.47 -0.54 0.00 0.00 174.62 175.56 1t0y n ASP 15 N 0.68 2.01 -4.59 3.99 8.00 -1.26 -4.50 116.55 120.88 1t0y n ASP 15 Ca -0.09 -0.08 -0.39 0.00 0.71 0.00 0.00 54.79 54.94 1t0y n ASP 15 Cb 0.52 0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 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 -2.40 3.23 0.40 1.24 5.36 -1.26 -5.05 117.98 119.50 1t0y s PHE 16 Ca -0.22 0.29 -0.27 0.00 -0.96 0.00 0.00 56.93 55.78 1t0y s PHE 16 Cb 0.06 -2.56 -0.10 0.00 -0.34 0.00 0.00 43.02 40.09 1t0y s PHE 16 CO 0.53 -0.25 1.41 -2.14 -1.46 0.00 0.00 175.22 173.30 1t0y s PRO 17 N 2.02 4.00 -0.24 10.12 0.02 -1.26 -4.98 135.00 144.67 1t0y s PRO 17 Ca 0.13 2.39 -0.09 0.00 0.02 0.00 0.00 61.00 63.46 1t0y s PRO 17 Cb -0.16 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1t0y s PRO 17 CO 0.10 -0.55 0.11 1.41 -0.33 0.00 0.00 177.00 177.74 1t0y s MET 18 N -2.18 3.82 -0.23 5.54 1.75 0.48 -4.85 119.30 123.63 1t0y s MET 18 Ca 0.55 -0.40 -0.05 0.00 -1.25 0.00 0.00 55.69 54.54 1t0y s MET 18 Cb -0.43 -3.41 -0.02 0.00 2.84 0.00 0.00 34.83 33.81 1t0y s MET 18 CO 0.57 -0.08 0.01 -1.21 -0.65 0.00 0.00 175.02 173.65 1t0y s GLU 19 N 1.39 3.53 0.05 4.11 2.02 -1.26 0.32 118.70 128.85 1t0y s GLU 19 Ca 0.06 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1t0y s GLU 19 Cb -0.15 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 1t0y s GLU 19 CO 0.05 -0.16 0.00 0.15 0.02 0.00 0.00 175.26 175.32 1t0y s LYS 20 N 1.46 0.58 -0.23 1.61 1.02 -0.85 -4.97 119.74 118.36 1t0y s LYS 20 Ca 0.05 -1.05 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 1t0y s LYS 20 Cb -0.15 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1t0y s LYS 20 CO 0.00 -0.12 0.05 0.21 -0.92 0.00 0.00 175.35 174.57 1t0y s LYS 21 N -3.37 3.68 0.12 1.68 2.20 -1.26 -1.29 119.74 121.51 1t0y s LYS 21 Ca 0.02 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1t0y s LYS 21 Cb 0.04 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1t0y s LYS 21 CO -0.08 -0.07 -0.10 0.71 -0.36 0.00 0.00 175.35 175.44 1t0y s TYR 22 N 1.29 1.16 0.35 4.03 2.02 0.15 -4.93 117.35 121.43 1t0y s TYR 22 Ca 0.05 -0.71 -0.27 0.00 -0.37 0.00 0.00 57.07 55.77 1t0y s TYR 22 Cb -0.15 -0.62 -0.09 0.00 -0.40 0.00 0.00 41.96 40.71 1t0y s TYR 22 CO 0.03 0.04 1.23 -2.14 -1.57 0.00 0.00 175.55 173.13 1t0y s PRO 23 N -3.24 4.26 0.54 -1.71 0.02 -1.26 -0.04 135.00 133.57 1t0y s PRO 23 Ca 0.11 2.02 0.28 0.00 0.02 0.00 0.00 61.00 63.42 1t0y s PRO 23 Cb -0.00 -2.93 1.53 0.00 0.02 0.00 0.00 34.50 33.12 1t0y s PRO 23 CO 0.00 -0.20 2.11 0.00 -0.33 0.00 0.00 177.00 178.58 1t0y h ALA 24 N 3.13 1.32 -0.00 -1.55 0.00 -0.63 -1.19 119.26 120.34 1t0y h ALA 24 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1t0y h ALA 24 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t0y h ALA 24 CO 0.64 0.12 -0.01 0.41 0.00 0.00 0.00 179.25 180.41 1t0y n GLY 25 N -0.80 -1.35 3.78 0.00 0.00 -1.26 -1.24 105.19 104.31 1t0y n GLY 25 Ca -0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.73 3.14 0.34 1.61 0.00 -0.45 -4.68 119.30 116.54 1t0y s MET 26 Ca 0.23 1.47 -0.17 0.00 0.00 0.00 0.00 55.69 57.22 1t0y s MET 26 Cb 0.20 -1.99 -0.09 0.00 0.00 0.00 0.00 34.83 32.94 1t0y s MET 26 CO 0.49 -0.99 0.80 -1.54 0.00 0.00 0.00 175.02 173.78 1t0y s SER 27 N -2.21 6.86 0.43 1.11 1.04 -1.26 -2.41 113.70 117.26 1t0y s SER 27 Ca 0.69 1.42 0.21 0.00 0.48 0.00 0.00 55.95 58.75 1t0y s SER 27 Cb -0.21 -2.43 0.98 0.00 0.10 0.00 0.00 66.02 64.46 1t0y s SER 27 CO 0.34 -0.22 1.89 0.25 0.98 0.00 0.00 173.24 176.47 1t0y h LEU 28 N 2.30 0.00 -1.52 2.42 7.12 -1.60 -2.44 115.31 121.60 1t0y h LEU 28 Ca -0.48 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.53 1t0y h LEU 28 Cb 1.18 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 1t0y h LEU 28 CO 0.64 0.27 0.31 0.78 -0.13 0.00 0.00 178.44 180.31 1t0y h ASN 29 N 0.00 0.55 -0.23 1.25 2.35 -1.83 0.37 115.58 118.04 1t0y h ASN 29 Ca -0.00 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1t0y h ASN 29 Cb 0.62 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1t0y h ASN 29 CO 0.03 0.41 -0.20 -0.78 -1.65 0.00 0.00 177.43 175.24 1t0y h ASP 30 N 0.65 0.58 -0.20 5.81 3.58 -1.75 -1.27 116.42 123.82 1t0y h ASP 30 Ca 0.18 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1t0y h ASP 30 Cb -0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1t0y h ASP 30 CO -0.04 0.92 0.04 0.25 -2.88 0.00 0.00 179.24 177.53 1t0y h LEU 31 N 0.24 0.31 -1.23 2.28 5.85 -1.28 -1.16 115.31 120.33 1t0y h LEU 31 Ca 0.04 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1t0y h LEU 31 Cb 0.74 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1t0y h LEU 31 CO 0.05 0.48 0.02 0.07 -0.34 0.00 0.00 178.44 178.72 1t0y h LYS 32 N 0.13 0.54 -0.40 1.25 2.10 -0.33 -0.76 116.57 119.10 1t0y h LYS 32 Ca 0.06 -0.11 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 1t0y h LYS 32 Cb 0.30 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1t0y h LYS 32 CO 0.00 0.55 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.76 1t0y h LYS 33 N 0.52 0.66 -0.53 0.07 1.63 -0.82 0.82 116.57 118.91 1t0y h LYS 33 Ca 0.11 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1t0y h LYS 33 Cb 0.31 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1t0y h LYS 33 CO 0.01 0.70 0.20 0.87 -3.45 0.00 0.00 179.45 177.78 1t0y h LYS 34 N 0.62 0.80 -0.19 1.90 1.79 -0.48 -0.16 116.57 120.85 1t0y h LYS 34 Ca 0.12 -0.15 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 1t0y h LYS 34 Cb 0.43 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1t0y h LYS 34 CO 0.02 0.71 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.89 1t0y h LEU 35 N 0.72 0.46 -1.80 2.94 3.38 -0.12 -2.86 115.31 118.03 1t0y h LEU 35 Ca 0.18 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1t0y h LEU 35 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1t0y h LEU 35 CO -0.01 0.80 0.30 -0.33 0.09 0.00 0.00 178.44 179.29 1t0y h GLU 36 N 0.11 0.23 -0.00 1.13 5.08 0.74 0.21 114.58 122.08 1t0y h GLU 36 Ca 0.04 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1t0y h GLU 36 Cb 0.65 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1t0y h GLU 36 CO 0.04 0.15 -0.69 1.25 -1.00 0.00 0.00 179.01 178.76 1t0y h LEU 37 N 0.24 0.01 0.12 1.33 5.85 -0.81 0.13 115.31 122.18 1t0y h LEU 37 Ca 0.20 -0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.57 1t0y h LEU 37 Cb 0.49 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1t0y h LEU 37 CO -0.04 0.70 -1.83 0.58 -0.34 0.00 0.00 178.44 177.51 1t0y h VAL 38 N 0.01 0.74 0.00 1.05 2.07 -0.99 -3.38 116.25 115.75 1t0y h VAL 38 Ca -0.01 -2.36 -0.06 0.00 0.82 0.00 0.00 66.70 65.10 1t0y h VAL 38 Cb 1.23 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1t0y h VAL 38 CO 0.09 0.82 -1.07 0.58 0.02 0.00 0.00 177.57 178.01 1t0y h VAL 39 N -0.07 0.18 0.00 2.57 2.07 -0.73 -3.48 116.25 116.80 1t0y h VAL 39 Ca -0.39 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1t0y h VAL 39 Cb 1.95 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1t0y h VAL 39 CO 0.07 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1t0y n GLY 40 N 1.24 0.78 3.80 2.17 0.00 0.44 -5.03 105.19 108.59 1t0y n GLY 40 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.93 2.07 0.52 2.61 2.01 -1.21 -5.00 115.64 113.72 1t0y s THR 41 Ca 0.00 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.10 1t0y s THR 41 Cb 0.00 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1t0y s THR 41 CO 0.00 -0.03 0.59 0.42 -0.69 0.00 0.00 174.62 174.91 1t0y s THR 42 N -3.31 2.17 0.13 -0.82 -4.23 -1.26 -4.67 115.64 103.65 1t0y s THR 42 Ca 0.63 -1.19 -0.19 0.00 -1.18 0.00 0.00 61.69 59.76 1t0y s THR 42 Cb -0.14 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 1t0y s THR 42 CO 0.53 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.97 1t0y h VAL 43 N 0.52 1.06 -0.04 2.29 2.07 -1.96 -1.46 116.25 118.73 1t0y h VAL 43 Ca -0.35 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 66.87 1t0y h VAL 43 Cb 1.29 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1t0y h VAL 43 CO 0.48 0.06 -0.82 -0.78 0.02 0.00 0.00 177.57 176.53 1t0y h ASP 44 N 0.30 0.44 0.29 0.57 3.58 -2.00 -3.00 116.42 116.61 1t0y h ASP 44 Ca 0.08 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1t0y h ASP 44 Cb -0.03 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1t0y h ASP 44 CO -0.02 1.09 -0.04 -1.20 -2.88 0.00 0.00 179.24 176.19 1t0y n SER 45 N -3.78 0.27 -4.50 2.28 7.64 -1.14 -4.56 113.62 109.84 1t0y n SER 45 Ca -0.05 -0.63 -0.42 0.00 1.01 0.00 0.00 58.87 58.77 1t0y n SER 45 Cb 0.76 -0.11 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.33 3.20 -0.14 1.43 -2.45 -0.56 0.15 119.30 118.60 1t0y s MET 46 Ca 0.35 -0.70 -0.07 0.00 -1.25 0.00 0.00 55.69 54.03 1t0y s MET 46 Cb 0.21 -3.93 -0.04 0.00 1.25 0.00 0.00 34.83 32.32 1t0y s MET 46 CO 0.43 -0.76 0.10 0.50 1.05 0.00 0.00 175.02 176.34 1t0y s ARG 47 N 2.07 3.56 -0.18 4.11 6.06 0.48 -4.94 118.95 130.11 1t0y s ARG 47 Ca 0.11 -0.23 0.01 0.00 -2.50 0.00 0.00 55.73 53.12 1t0y s ARG 47 Cb -0.17 -3.15 0.02 0.00 0.06 0.00 0.00 34.95 31.70 1t0y s ARG 47 CO 0.13 0.61 -0.20 0.42 -2.50 0.00 0.00 175.30 173.76 1t0y s ILE 48 N -0.56 2.03 0.08 4.11 -1.09 -1.26 -1.03 121.20 123.48 1t0y s ILE 48 Ca 0.12 -0.92 0.06 0.00 -2.23 0.00 0.00 60.65 57.68 1t0y s ILE 48 Cb -0.12 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1t0y s ILE 48 CO 0.02 0.53 -0.09 -1.10 -1.23 0.00 0.00 174.94 173.07 1t0y s GLN 49 N 1.30 2.23 -0.22 2.79 1.11 0.11 -1.95 119.66 125.04 1t0y s GLN 49 Ca 0.05 -0.95 -0.05 0.00 0.01 0.00 0.00 55.36 54.42 1t0y s GLN 49 Cb -0.13 -2.35 -0.02 0.00 -1.01 0.00 0.00 33.01 29.50 1t0y s GLN 49 CO -0.13 0.53 -0.01 -1.17 0.01 0.00 0.00 175.29 174.52 1t0y s LEU 50 N -2.00 3.10 0.17 2.90 0.20 0.59 0.01 118.68 123.65 1t0y s LEU 50 Ca 0.20 -0.30 0.10 0.00 0.69 0.00 0.00 54.13 54.83 1t0y s LEU 50 Cb -0.11 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1t0y s LEU 50 CO 0.12 0.01 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.63 1t0y s PHE 51 N 1.32 2.42 0.00 5.38 0.40 0.11 -0.65 117.98 126.96 1t0y s PHE 51 Ca 0.04 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1t0y s PHE 51 Cb -0.15 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.16 1t0y s PHE 51 CO -0.00 0.46 0.00 -3.47 0.70 0.00 0.00 175.22 172.91 1t0y n ASP 52 N 0.38 0.83 -1.13 1.36 -0.08 -1.26 -0.89 116.55 115.76 1t0y n ASP 52 Ca -0.13 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.27 1t0y n ASP 52 Cb 0.55 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.23 1t0y n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t0y n GLY 53 N 5.00 1.64 0.00 0.27 0.00 -1.26 -4.51 105.19 106.33 1t0y n GLY 53 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1t0y n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t0y n ASP 54 N 1.44 0.00 0.00 1.61 8.00 -1.26 -5.01 116.55 121.34 1t0y n ASP 54 Ca 0.19 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.35 1t0y n ASP 54 Cb 0.60 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1t0y n ASP 55 N -1.35 0.00 -4.96 -2.24 2.03 -1.26 -5.15 116.55 103.61 1t0y n ASP 55 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1t0y n ASP 55 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.00 2.83 0.26 -0.67 0.00 -1.26 -4.94 119.66 115.88 1t0y s GLN 56 Ca 0.00 -0.59 -0.29 0.00 -0.00 0.00 0.00 55.36 54.47 1t0y s GLN 56 Cb 0.00 -2.52 -0.09 0.00 0.00 0.00 0.00 33.01 30.40 1t0y s GLN 56 CO 0.00 -0.48 1.23 -1.17 0.00 0.00 0.00 175.29 174.87 1t0y s LEU 57 N -4.66 4.47 -0.12 2.60 0.20 -1.26 -4.29 118.68 115.61 1t0y s LEU 57 Ca 0.52 2.42 -0.08 0.00 0.69 0.00 0.00 54.13 57.68 1t0y s LEU 57 Cb -0.10 -3.63 -0.26 0.00 -0.43 0.00 0.00 46.19 41.77 1t0y s LEU 57 CO 0.38 -0.39 0.37 0.11 -0.29 0.00 0.00 176.35 176.54 1t0y h LYS 58 N 4.30 0.25 -1.63 1.98 6.56 -1.25 -3.49 116.57 123.29 1t0y h LYS 58 Ca -0.46 -0.43 0.27 0.00 -1.06 0.00 0.00 60.65 58.97 1t0y h LYS 58 Cb 1.22 0.16 -0.14 0.00 -0.57 0.00 0.00 32.23 32.90 1t0y h LYS 58 CO 0.70 1.20 0.76 0.20 -2.06 0.00 0.00 179.45 180.25 1t0y s GLY 59 N -5.49 -0.36 -0.20 3.86 0.00 -1.15 -5.02 107.32 98.97 1t0y s GLY 59 Ca -0.23 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1t0y s GLY 59 CO 0.76 0.25 -0.12 1.85 0.00 0.00 0.00 173.10 175.84 1t0y s GLU 60 N -2.58 2.20 0.00 2.90 2.12 -1.26 -0.30 118.70 121.78 1t0y s GLU 60 Ca 0.12 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1t0y s GLU 60 Cb 0.02 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1t0y s GLU 60 CO -0.04 -0.39 0.00 1.28 -0.54 0.00 0.00 175.26 175.57 1t0y n LEU 61 N 4.67 0.00 0.00 2.70 4.32 -0.82 -4.97 117.00 122.90 1t0y n LEU 61 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1t0y n LEU 61 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1t0y n LEU 61 CO 0.21 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.73 1t0y n THR 62 N 0.00 0.00 -3.43 -5.08 -2.24 -1.26 -4.99 114.28 97.28 1t0y n THR 62 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1t0y n THR 62 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1t0y n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t0y s ASP 63 N -3.40 6.46 0.00 3.42 1.01 -1.26 -4.91 116.67 117.99 1t0y s ASP 63 Ca 0.00 0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.80 1t0y s ASP 63 Cb 0.00 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.71 1t0y s ASP 63 CO 0.00 -0.01 0.65 0.61 0.21 0.00 0.00 175.17 176.63 1t0y n GLY 64 N 3.70 0.42 0.28 0.21 0.00 -1.26 -4.40 105.19 104.14 1t0y n GLY 64 Ca -0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.09 1t0y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t0y h ALA 65 N 0.00 1.01 -1.64 4.61 0.00 -1.97 -3.26 119.26 118.02 1t0y h ALA 65 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 1t0y h ALA 65 Cb 0.39 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1t0y h ALA 65 CO 0.00 0.04 -0.48 -1.59 0.00 0.00 0.00 179.25 177.21 1t0y s LYS 66 N -3.73 2.31 0.57 0.00 -2.85 -1.26 -5.03 119.74 109.76 1t0y s LYS 66 Ca 0.00 -1.73 -0.02 0.00 -1.00 0.00 0.00 55.97 53.23 1t0y s LYS 66 Cb 0.10 -2.10 0.03 0.00 -2.06 0.00 0.00 37.83 33.80 1t0y s LYS 66 CO 0.54 -0.09 0.83 -1.54 0.10 0.00 0.00 175.35 175.20 1t0y s SER 67 N -3.94 5.33 0.50 0.03 1.04 -1.26 -3.29 113.70 112.11 1t0y s SER 67 Ca 0.42 0.28 0.20 0.00 0.48 0.00 0.00 55.95 57.33 1t0y s SER 67 Cb 0.01 -1.20 1.27 0.00 0.10 0.00 0.00 66.02 66.20 1t0y s SER 67 CO 0.24 -1.15 2.07 -0.07 0.98 0.00 0.00 173.24 175.31 1t0y h LEU 68 N -0.06 0.00 -0.64 2.42 -0.00 -1.09 0.54 115.31 116.48 1t0y h LEU 68 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.35 1t0y h LEU 68 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 1t0y h LEU 68 CO 0.57 0.11 0.07 0.50 -0.00 0.00 0.00 178.44 179.68 1t0y h LYS 69 N 0.00 1.08 -0.02 1.13 3.11 -1.39 0.13 116.57 120.61 1t0y h LYS 69 Ca -0.00 -0.31 -0.19 0.00 -2.81 0.00 0.00 60.65 57.34 1t0y h LYS 69 Cb 0.23 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1t0y h LYS 69 CO 0.01 1.02 -0.80 0.22 -2.81 0.00 0.00 179.45 177.09 1t0y h ASP 70 N 1.00 0.32 0.83 4.20 1.82 -1.47 -3.01 116.42 120.11 1t0y h ASP 70 Ca 0.19 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1t0y h ASP 70 Cb 0.49 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1t0y h ASP 70 CO 0.02 1.00 0.00 0.18 -1.61 0.00 0.00 179.24 178.83 1t0y n LEU 71 N -3.74 0.46 0.00 2.28 4.77 0.05 -4.87 117.00 115.96 1t0y n LEU 71 Ca -0.04 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1t0y n LEU 71 Cb 0.76 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1t0y n LEU 71 CO 0.47 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1t0y n GLY 72 N 0.37 0.55 3.57 -0.72 0.00 -0.53 -5.01 105.19 103.42 1t0y n GLY 72 Ca 0.04 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 5.04 0.41 1.61 1.01 0.33 -5.03 120.40 121.77 1t0y s VAL 73 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1t0y s VAL 73 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.51 1t0y s VAL 73 CO 0.00 -0.16 0.49 0.54 0.00 0.00 0.00 175.10 175.97 1t0y n ARG 74 N 5.68 0.78 -1.79 2.72 3.00 -1.26 -4.43 116.66 121.36 1t0y n ARG 74 Ca -0.05 -2.32 -0.31 0.00 -0.01 0.00 0.00 57.85 55.17 1t0y n ARG 74 Cb 0.49 -0.03 0.03 0.00 0.00 0.00 0.00 32.46 32.95 1t0y n ARG 74 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1t0y s ASP 75 N -3.50 5.78 0.00 0.55 -4.77 -1.26 -3.95 116.67 109.52 1t0y s ASP 75 Ca 0.37 1.40 0.00 0.00 -3.30 0.00 0.00 52.55 51.02 1t0y s ASP 75 Cb -0.03 -2.34 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1t0y s ASP 75 CO 0.23 -1.16 0.00 0.61 0.70 0.00 0.00 175.17 175.56 1t0y n GLY 76 N -2.60 0.43 3.76 2.12 0.00 -0.37 -4.95 105.19 103.58 1t0y n GLY 76 Ca 0.07 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 3.04 -0.23 1.61 1.51 -1.25 -4.79 117.35 115.24 1t0y s TYR 77 Ca 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1t0y s TYR 77 Cb 0.00 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1t0y s TYR 77 CO 0.00 0.52 0.03 1.03 -1.11 0.00 0.00 175.55 176.03 1t0y s ARG 78 N -3.20 3.61 -0.23 -0.62 0.52 -0.07 -1.48 118.95 117.47 1t0y s ARG 78 Ca 0.30 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1t0y s ARG 78 Cb -0.09 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1t0y s ARG 78 CO 0.22 -0.12 0.12 0.42 0.02 0.00 0.00 175.30 175.96 1t0y s ILE 79 N 1.39 5.06 -0.17 1.52 -1.09 -0.01 0.08 121.20 127.99 1t0y s ILE 79 Ca 0.05 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1t0y s ILE 79 Cb -0.15 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1t0y s ILE 79 CO 0.02 0.37 -0.03 -2.28 -1.23 0.00 0.00 174.94 171.79 1t0y s HIS 80 N 0.98 3.03 -0.03 3.97 5.65 0.10 0.17 115.29 129.17 1t0y s HIS 80 Ca 0.06 -0.36 0.03 0.00 0.25 0.00 0.00 55.06 55.05 1t0y s HIS 80 Cb -0.14 -2.00 -0.03 0.00 -1.18 0.00 0.00 32.58 29.24 1t0y s HIS 80 CO 0.04 -0.10 -0.11 0.00 -0.65 0.00 0.00 174.74 173.91 1t0y s ALA 81 N 0.56 2.82 -0.06 1.58 0.00 0.43 0.09 121.76 127.19 1t0y s ALA 81 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1t0y s ALA 81 Cb -0.14 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1t0y s ALA 81 CO 0.02 0.58 0.16 0.54 0.00 0.00 0.00 175.76 177.06 1t0y s VAL 82 N -0.85 -0.03 0.13 0.00 0.11 -0.20 -1.98 120.40 117.58 1t0y s VAL 82 Ca 0.14 0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 59.05 1t0y s VAL 82 Cb -0.11 -0.24 -0.07 0.00 -1.53 0.00 0.00 36.38 34.43 1t0y s VAL 82 CO 0.03 0.04 0.74 1.51 -3.33 0.00 0.00 175.10 174.10 1t0y s ASP 83 N 0.75 7.31 0.00 3.54 -4.77 -1.26 -0.38 116.67 121.85 1t0y s ASP 83 Ca -0.06 1.55 0.10 0.00 -3.30 0.00 0.00 52.55 50.84 1t0y s ASP 83 Cb -0.07 -2.47 0.25 0.00 -1.09 0.00 0.00 42.92 39.54 1t0y s ASP 83 CO -0.04 0.18 1.17 0.52 0.70 0.00 0.00 175.17 177.71 1t0y n VAL 84 N 1.86 0.86 0.04 2.11 0.31 0.12 -3.74 118.33 119.90 1t0y n VAL 84 Ca -0.06 -0.93 -0.14 0.00 -0.01 0.00 0.00 64.34 63.21 1t0y n VAL 84 Cb 0.49 0.60 -0.14 0.00 -0.91 0.00 0.00 33.84 33.88 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 1.85 1.17 -0.02 2.52 1.03 -1.92 -3.28 112.91 114.28 1t0y h THR 85 Ca 0.00 -2.87 0.00 0.00 -0.01 0.00 0.00 66.41 63.53 1t0y h THR 85 Cb 0.67 2.70 0.00 0.00 -1.07 0.00 0.00 68.15 70.45 1t0y h THR 85 CO 0.00 0.78 -0.00 0.61 -0.01 0.00 0.00 175.52 176.90 1t0y n GLY 86 N 1.60 -0.06 3.50 2.99 0.00 -1.26 -4.95 105.19 107.00 1t0y n GLY 86 Ca -0.14 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 0.78 -0.53 3.72 -0.02 0.00 -1.24 -4.93 105.19 102.97 1t0y n GLY 87 Ca 0.08 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.10 7.09 -0.24 1.61 2.47 -1.25 -4.25 114.94 117.28 1t0y s ASN 88 Ca 0.52 1.31 -0.06 0.00 0.42 0.00 0.00 52.86 55.05 1t0y s ASN 88 Cb -0.24 -2.45 0.01 0.00 -1.45 0.00 0.00 41.25 37.12 1t0y s ASN 88 CO 0.64 -0.11 0.21 1.21 -3.72 0.00 0.00 177.10 175.33 1t0y n GLU 89 N 3.62 -1.83 0.00 0.43 4.07 -1.26 -4.58 120.64 121.08 1t0y n GLU 89 Ca -0.00 1.72 0.00 0.00 -0.06 0.00 0.00 57.16 58.82 1t0y n GLU 89 Cb 0.51 -4.00 0.00 0.00 -0.06 0.00 0.00 31.44 27.89 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60