#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 4.66 -0.37 3.17 -4.23 -1.26 -4.91 115.64 112.69 1t0y s THR 2 Ca 0.00 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.35 1t0y s THR 2 Cb 0.00 -4.28 0.19 0.00 1.34 0.00 0.00 72.50 69.74 1t0y s THR 2 CO 0.00 -0.58 0.63 -0.70 -0.54 0.00 0.00 174.62 173.43 1t0y s GLU 3 N 3.28 0.72 0.08 3.99 2.12 -1.26 -5.10 118.70 122.53 1t0y s GLU 3 Ca 0.32 -0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.70 1t0y s GLU 3 Cb -0.12 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1t0y s GLU 3 CO 0.20 -1.11 -0.15 0.14 -0.54 0.00 0.00 175.26 173.80 1t0y s VAL 4 N 2.16 1.17 0.00 3.70 -7.23 -1.26 -0.04 120.40 118.91 1t0y s VAL 4 Ca 0.14 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1t0y s VAL 4 Cb -0.06 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1t0y s VAL 4 CO -0.13 -0.22 -0.19 -0.72 -0.31 0.00 0.00 175.10 173.53 1t0y s TYR 5 N -1.31 1.67 -0.00 2.82 1.13 0.56 -4.78 117.35 117.44 1t0y s TYR 5 Ca -0.01 -0.33 -0.28 0.00 -1.41 0.00 0.00 57.07 55.04 1t0y s TYR 5 Cb -0.10 -1.05 -0.04 0.00 -1.10 0.00 0.00 41.96 39.68 1t0y s TYR 5 CO 0.02 0.01 0.90 -0.51 -2.51 0.00 0.00 175.55 173.46 1t0y s ASP 6 N -0.67 7.28 0.16 -0.18 1.01 -1.26 -1.75 116.67 121.25 1t0y s ASP 6 Ca 0.07 1.55 0.09 0.00 0.71 0.00 0.00 52.55 54.96 1t0y s ASP 6 Cb -0.08 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1t0y s ASP 6 CO 0.00 -0.19 -0.11 -0.76 0.21 0.00 0.00 175.17 174.32 1t0y s LEU 7 N 0.79 2.92 -0.26 1.23 1.02 0.13 -1.22 118.68 123.29 1t0y s LEU 7 Ca 0.47 -0.56 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 1t0y s LEU 7 Cb -0.20 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.38 1t0y s LEU 7 CO 0.25 0.13 -0.02 -0.70 0.02 0.00 0.00 176.35 176.03 1t0y s GLU 8 N -2.63 2.87 -0.18 1.70 2.12 -1.18 -1.59 118.70 119.82 1t0y s GLU 8 Ca 0.23 -0.97 -0.05 0.00 0.36 0.00 0.00 54.97 54.54 1t0y s GLU 8 Cb -0.09 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1t0y s GLU 8 CO 0.14 -0.43 0.01 0.42 -0.54 0.00 0.00 175.26 174.87 1t0y s ILE 9 N 1.36 4.25 0.25 -3.70 1.01 0.59 -0.36 121.20 124.59 1t0y s ILE 9 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1t0y s ILE 9 Cb -0.17 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1t0y s ILE 9 CO -0.03 0.46 -0.15 0.42 0.00 0.00 0.00 174.94 175.64 1t0y s THR 10 N 0.56 2.75 0.16 2.92 -4.23 0.52 -0.66 115.64 117.67 1t0y s THR 10 Ca 0.00 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1t0y s THR 10 Cb -0.14 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1t0y s THR 10 CO 0.02 -0.31 0.02 0.42 -0.54 0.00 0.00 174.62 174.23 1t0y s THR 11 N -2.22 0.51 0.15 3.99 -4.23 -1.01 -0.11 115.64 112.72 1t0y s THR 11 Ca 0.28 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 1t0y s THR 11 Cb -0.06 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.68 1t0y s THR 11 CO 0.15 -0.46 1.61 -1.13 -0.54 0.00 0.00 174.62 174.25 1t0y h ASN 12 N 2.73 0.82 -0.02 3.99 -1.24 -1.26 -3.27 115.58 117.34 1t0y h ASN 12 Ca -0.36 -0.29 -0.25 0.00 0.71 0.00 0.00 56.30 56.11 1t0y h ASN 12 Cb 1.20 -0.22 0.02 0.00 0.73 0.00 0.00 38.32 40.05 1t0y h ASN 12 CO 0.62 0.91 -0.94 0.00 -1.29 0.00 0.00 177.43 176.73 1t0y h ALA 13 N 0.94 0.23 -3.27 1.57 0.00 -1.90 -3.40 119.26 113.43 1t0y h ALA 13 Ca 0.14 -0.66 -0.66 0.00 0.00 0.00 0.00 54.91 53.72 1t0y h ALA 13 Cb 0.48 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.95 1t0y h ALA 13 CO 0.02 0.70 -0.87 0.95 0.00 0.00 0.00 179.25 180.05 1t0y s THR 14 N -3.47 1.98 -2.04 0.00 -4.23 -1.23 -4.93 115.64 101.72 1t0y s THR 14 Ca -0.09 -0.95 0.12 0.00 -1.18 0.00 0.00 61.69 59.59 1t0y s THR 14 Cb 0.08 -1.74 0.32 0.00 1.34 0.00 0.00 72.50 72.50 1t0y s THR 14 CO 0.91 0.54 1.30 0.47 -0.54 0.00 0.00 174.62 177.29 1t0y n ASP 15 N 3.86 1.78 -4.63 3.99 8.00 -1.26 -2.39 116.55 125.89 1t0y n ASP 15 Ca -0.20 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 52.93 1t0y n ASP 15 Cb 0.52 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.59 3.24 -0.06 1.24 5.36 -1.26 -4.97 117.98 119.94 1t0y s PHE 16 Ca 0.24 1.04 -0.30 0.00 -0.96 0.00 0.00 56.93 56.96 1t0y s PHE 16 Cb 0.13 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.52 1t0y s PHE 16 CO 0.17 -0.54 1.18 -2.14 -1.46 0.00 0.00 175.22 172.43 1t0y s PRO 17 N 3.07 4.36 -0.17 10.12 0.02 -1.26 -4.66 135.00 146.48 1t0y s PRO 17 Ca 0.37 1.64 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 1t0y s PRO 17 Cb -0.14 -3.56 -0.03 0.00 0.02 0.00 0.00 34.50 30.79 1t0y s PRO 17 CO 0.11 -0.44 -0.01 1.41 -0.33 0.00 0.00 177.00 177.74 1t0y s MET 18 N 2.20 3.72 -0.04 5.54 1.75 0.17 -4.85 119.30 127.79 1t0y s MET 18 Ca 0.55 -0.49 -0.28 0.00 -1.25 0.00 0.00 55.69 54.22 1t0y s MET 18 Cb -0.24 -2.99 -0.03 0.00 2.84 0.00 0.00 34.83 34.41 1t0y s MET 18 CO 0.21 0.22 0.92 -1.21 -0.65 0.00 0.00 175.02 174.52 1t0y s GLU 19 N 0.44 4.50 -0.04 4.11 8.01 -1.26 -0.30 118.70 134.16 1t0y s GLU 19 Ca -0.02 1.29 -0.20 0.00 0.01 0.00 0.00 54.97 56.05 1t0y s GLU 19 Cb -0.14 -3.47 0.04 0.00 -4.31 0.00 0.00 34.13 26.25 1t0y s GLU 19 CO 0.02 -0.08 0.44 0.21 0.01 0.00 0.00 175.26 175.86 1t0y s LYS 20 N 1.16 0.78 -0.09 1.61 2.20 -0.62 -4.99 119.74 119.79 1t0y s LYS 20 Ca 0.48 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 1t0y s LYS 20 Cb -0.20 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1t0y s LYS 20 CO 0.24 -0.22 -0.16 0.21 -0.36 0.00 0.00 175.35 175.06 1t0y s LYS 21 N -1.13 2.95 0.14 4.03 2.20 -1.26 0.22 119.74 126.89 1t0y s LYS 21 Ca -0.11 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 1t0y s LYS 21 Cb -0.03 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1t0y s LYS 21 CO 0.06 0.38 -0.09 0.71 -0.36 0.00 0.00 175.35 176.04 1t0y s TYR 22 N -0.09 1.19 0.08 4.03 2.02 -0.72 -4.96 117.35 118.90 1t0y s TYR 22 Ca -0.03 -0.80 -0.31 0.00 -0.37 0.00 0.00 57.07 55.56 1t0y s TYR 22 Cb -0.14 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.74 1t0y s TYR 22 CO 0.04 0.02 1.19 -2.14 -1.57 0.00 0.00 175.55 173.09 1t0y s PRO 23 N -3.77 4.45 0.49 -1.71 0.02 -1.26 -0.32 135.00 132.89 1t0y s PRO 23 Ca 0.16 1.78 0.28 0.00 0.02 0.00 0.00 61.00 63.23 1t0y s PRO 23 Cb 0.03 -3.33 1.10 0.00 0.02 0.00 0.00 34.50 32.32 1t0y s PRO 23 CO -0.00 -0.22 1.89 0.00 -0.33 0.00 0.00 177.00 178.34 1t0y h ALA 24 N 6.58 1.03 -0.12 -1.55 0.00 -0.76 -2.51 119.26 121.93 1t0y h ALA 24 Ca -0.42 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1t0y h ALA 24 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t0y h ALA 24 CO 0.80 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1t0y n GLY 25 N 0.08 -0.00 3.99 0.00 0.00 -1.26 -0.57 105.19 107.44 1t0y n GLY 25 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.86 2.79 0.53 1.61 0.00 -0.95 -4.84 119.30 116.58 1t0y s MET 26 Ca 0.33 -1.00 -0.10 0.00 0.00 0.00 0.00 55.69 54.92 1t0y s MET 26 Cb 0.17 -2.66 -0.05 0.00 0.00 0.00 0.00 34.83 32.29 1t0y s MET 26 CO 0.27 -0.38 0.91 -1.54 0.00 0.00 0.00 175.02 174.27 1t0y s SER 27 N -4.34 6.34 0.32 1.11 1.04 -1.26 -0.94 113.70 115.96 1t0y s SER 27 Ca 0.54 1.24 0.13 0.00 0.48 0.00 0.00 55.95 58.34 1t0y s SER 27 Cb -0.10 -2.38 0.50 0.00 0.10 0.00 0.00 66.02 64.14 1t0y s SER 27 CO 0.35 -0.67 1.68 0.25 0.98 0.00 0.00 173.24 175.83 1t0y h LEU 28 N 0.27 0.00 -1.69 2.42 6.46 -1.73 -2.93 115.31 118.11 1t0y h LEU 28 Ca -0.46 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1t0y h LEU 28 Cb 1.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1t0y h LEU 28 CO 0.62 0.52 0.13 0.78 -0.62 0.00 0.00 178.44 179.86 1t0y h ASN 29 N 0.00 0.29 -0.14 1.25 2.35 -1.84 0.63 115.58 118.13 1t0y h ASN 29 Ca -0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1t0y h ASN 29 Cb 0.97 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 1t0y h ASN 29 CO 0.07 0.24 -0.06 -0.78 -1.65 0.00 0.00 177.43 175.25 1t0y h ASP 30 N 0.34 0.29 -0.80 5.81 3.58 -1.87 -1.75 116.42 122.01 1t0y h ASP 30 Ca 0.09 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 1t0y h ASP 30 Cb 0.02 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1t0y h ASP 30 CO -0.01 0.63 0.37 0.25 -2.88 0.00 0.00 179.24 177.60 1t0y h LEU 31 N -0.05 1.07 -0.17 2.28 6.46 -1.13 -1.16 115.31 122.61 1t0y h LEU 31 Ca 0.03 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1t0y h LEU 31 Cb 0.52 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 1t0y h LEU 31 CO 0.02 0.91 -0.15 0.11 -0.62 0.00 0.00 178.44 178.71 1t0y h LYS 32 N 1.16 -0.16 0.00 1.25 1.79 0.29 0.28 116.57 121.18 1t0y h LYS 32 Ca 0.28 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.73 1t0y h LYS 32 Cb 0.14 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1t0y h LYS 32 CO -0.03 -0.11 -0.15 -0.22 -1.08 0.00 0.00 179.45 177.86 1t0y h LYS 33 N -0.17 0.00 0.11 3.15 1.63 -0.42 0.54 116.57 121.42 1t0y h LYS 33 Ca 0.11 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.69 1t0y h LYS 33 Cb 0.32 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1t0y h LYS 33 CO -0.27 0.15 -0.90 0.87 -3.45 0.00 0.00 179.45 175.85 1t0y h LYS 34 N 0.00 0.41 -0.37 1.90 1.79 -0.32 -1.79 116.57 118.18 1t0y h LYS 34 Ca -0.00 -0.59 -0.04 0.00 -2.18 0.00 0.00 60.65 57.84 1t0y h LYS 34 Cb 0.54 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 1t0y h LYS 34 CO 0.02 1.25 0.08 1.25 -1.08 0.00 0.00 179.45 180.97 1t0y h LEU 35 N -0.14 0.57 -1.80 2.94 5.85 -0.01 -2.89 115.31 119.83 1t0y h LEU 35 Ca -0.15 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1t0y h LEU 35 Cb 1.66 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 1t0y h LEU 35 CO 0.17 0.67 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.59 1t0y h GLU 36 N 0.46 0.09 -0.10 1.25 4.39 0.11 0.42 114.58 121.19 1t0y h GLU 36 Ca 0.12 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1t0y h GLU 36 Cb 0.32 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1t0y h GLU 36 CO 0.00 0.12 -0.06 1.25 -1.16 0.00 0.00 179.01 179.17 1t0y h LEU 37 N 0.09 0.13 0.12 1.33 5.85 -1.11 0.44 115.31 122.16 1t0y h LEU 37 Ca 0.02 -0.02 -0.35 0.00 0.84 0.00 0.00 57.88 58.38 1t0y h LEU 37 Cb 0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1t0y h LEU 37 CO 0.00 0.22 -1.88 0.58 -0.34 0.00 0.00 178.44 177.02 1t0y h VAL 38 N 0.14 0.74 0.00 1.05 2.07 -0.73 -3.36 116.25 116.16 1t0y h VAL 38 Ca 0.03 -2.45 -0.17 0.00 0.82 0.00 0.00 66.70 64.93 1t0y h VAL 38 Cb 0.20 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1t0y h VAL 38 CO 0.01 0.83 -0.80 0.58 0.02 0.00 0.00 177.57 178.21 1t0y h VAL 39 N 0.07 1.42 -0.04 2.57 2.07 -0.17 -3.47 116.25 118.70 1t0y h VAL 39 Ca -0.38 -2.91 -0.02 0.00 0.82 0.00 0.00 66.70 64.21 1t0y h VAL 39 Cb 2.04 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 34.45 1t0y h VAL 39 CO 0.11 0.79 -0.02 0.61 0.02 0.00 0.00 177.57 179.08 1t0y n GLY 40 N 1.19 0.48 0.00 2.17 0.00 0.15 -5.01 105.19 104.18 1t0y n GLY 40 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1t0y n GLY 40 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1t0y n THR 41 N -2.93 0.00 -3.71 2.61 5.66 -1.23 -5.05 114.28 109.62 1t0y n THR 41 Ca -0.01 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1t0y n THR 41 Cb 0.05 -0.01 -0.02 0.00 -1.55 0.00 0.00 70.33 68.81 1t0y n THR 41 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1t0y s THR 42 N 0.38 4.35 0.19 1.09 -4.23 -1.26 -4.80 115.64 111.36 1t0y s THR 42 Ca 0.00 -1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 1t0y s THR 42 Cb 0.00 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.45 1t0y s THR 42 CO 0.00 -0.22 1.83 -0.37 -0.54 0.00 0.00 174.62 175.32 1t0y h VAL 43 N 1.07 1.09 0.00 2.29 -1.51 -1.92 -1.86 116.25 115.41 1t0y h VAL 43 Ca -0.48 -0.26 -0.04 0.00 -1.23 0.00 0.00 66.70 64.70 1t0y h VAL 43 Cb 1.25 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1t0y h VAL 43 CO 0.56 0.14 -0.20 -0.78 -1.23 0.00 0.00 177.57 176.07 1t0y h ASP 44 N 0.75 0.00 -0.03 4.19 3.58 -2.01 -2.88 116.42 120.02 1t0y h ASP 44 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1t0y h ASP 44 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1t0y h ASP 44 CO -0.09 0.20 0.00 -1.20 -2.88 0.00 0.00 179.24 175.27 1t0y n SER 45 N -3.36 0.74 -3.78 2.28 7.64 -0.71 -4.65 113.62 111.77 1t0y n SER 45 Ca 0.00 -1.33 -0.23 0.00 1.01 0.00 0.00 58.87 58.32 1t0y n SER 45 Cb 0.41 -0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 63.42 1t0y n SER 45 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1t0y s MET 46 N -1.97 0.69 -0.06 1.43 1.75 -1.09 -1.05 119.30 119.00 1t0y s MET 46 Ca 0.39 0.05 -0.03 0.00 -1.25 0.00 0.00 55.69 54.86 1t0y s MET 46 Cb 0.20 -1.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.75 1t0y s MET 46 CO 0.32 -0.32 0.07 0.50 -0.65 0.00 0.00 175.02 174.94 1t0y s ARG 47 N 1.94 3.14 -0.12 4.11 6.06 0.10 -4.90 118.95 129.28 1t0y s ARG 47 Ca 0.05 -0.37 0.02 0.00 -2.50 0.00 0.00 55.73 52.93 1t0y s ARG 47 Cb -0.12 -2.92 -0.00 0.00 0.06 0.00 0.00 34.95 31.96 1t0y s ARG 47 CO -0.06 0.70 -0.20 0.42 -2.50 0.00 0.00 175.30 173.67 1t0y s ILE 48 N -1.05 2.43 0.03 4.11 1.09 -1.26 0.37 121.20 126.93 1t0y s ILE 48 Ca 0.18 -0.88 0.05 0.00 -1.10 0.00 0.00 60.65 58.90 1t0y s ILE 48 Cb -0.12 -1.97 -0.03 0.00 -1.06 0.00 0.00 42.46 39.27 1t0y s ILE 48 CO 0.07 0.54 -0.11 -1.10 -0.10 0.00 0.00 174.94 174.25 1t0y s GLN 49 N 0.41 2.32 -0.13 2.79 1.11 0.19 -1.33 119.66 125.02 1t0y s GLN 49 Ca -0.15 -0.86 -0.02 0.00 0.01 0.00 0.00 55.36 54.35 1t0y s GLN 49 Cb -0.17 -2.37 -0.02 0.00 -1.01 0.00 0.00 33.01 29.44 1t0y s GLN 49 CO 0.07 0.56 -0.08 -1.17 0.01 0.00 0.00 175.29 174.68 1t0y s LEU 50 N -1.58 2.99 -0.02 2.90 2.96 0.30 -0.15 118.68 126.09 1t0y s LEU 50 Ca 0.17 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1t0y s LEU 50 Cb -0.11 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1t0y s LEU 50 CO 0.08 0.19 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.71 1t0y s PHE 51 N 0.23 2.05 0.08 5.38 0.40 0.63 0.08 117.98 126.82 1t0y s PHE 51 Ca -0.05 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1t0y s PHE 51 Cb -0.15 -1.32 0.02 0.00 0.51 0.00 0.00 43.02 42.08 1t0y s PHE 51 CO 0.04 -0.04 0.11 -0.40 0.70 0.00 0.00 175.22 175.64 1t0y n ASP 52 N 2.52 0.21 0.16 1.36 5.68 -0.98 -0.42 116.55 125.09 1t0y n ASP 52 Ca -0.16 -1.17 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 1t0y n ASP 52 Cb 0.52 -0.07 0.56 0.00 -1.14 0.00 0.00 41.12 40.99 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1t0y h GLY 53 N -0.03 0.00 -1.81 6.12 0.00 -1.89 -1.48 103.07 103.98 1t0y h GLY 53 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1t0y h GLY 53 CO 0.05 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.81 1t0y n ASP 54 N -2.40 2.64 0.00 0.19 9.92 -1.26 -4.90 116.55 120.74 1t0y n ASP 54 Ca 0.01 -2.04 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1t0y n ASP 54 Cb 0.20 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1t0y n ASP 55 N 0.87 0.00 -4.70 -2.24 2.03 -0.56 -4.96 116.55 106.99 1t0y n ASP 55 Ca 0.16 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.14 1t0y n ASP 55 Cb 0.43 -0.06 0.13 0.00 -0.72 0.00 0.00 41.12 40.89 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 1.64 0.00 -0.67 -2.07 -1.26 -4.70 119.66 112.60 1t0y s GLN 56 Ca 0.00 1.70 -0.30 0.00 -1.82 0.00 0.00 55.36 54.94 1t0y s GLN 56 Cb 0.00 -1.78 -0.04 0.00 -1.09 0.00 0.00 33.01 30.10 1t0y s GLN 56 CO 0.00 -2.20 1.13 -1.17 -1.32 0.00 0.00 175.29 171.73 1t0y s LEU 57 N -5.77 4.34 -0.09 2.60 2.96 -1.26 -2.32 118.68 119.13 1t0y s LEU 57 Ca 0.72 1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 56.31 1t0y s LEU 57 Cb -0.27 -3.57 -0.28 0.00 0.50 0.00 0.00 46.19 42.57 1t0y s LEU 57 CO 0.51 -0.45 0.62 0.50 -1.32 0.00 0.00 176.35 176.21 1t0y h LYS 58 N 7.00 0.27 0.00 1.98 3.11 -0.70 -3.47 116.57 124.77 1t0y h LYS 58 Ca -0.39 -0.46 0.00 0.00 -2.81 0.00 0.00 60.65 56.99 1t0y h LYS 58 Cb 1.20 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 1t0y h LYS 58 CO 0.82 1.22 0.00 0.41 -2.81 0.00 0.00 179.45 179.09 1t0y n GLY 59 N 1.74 -0.24 3.66 5.01 0.00 -1.12 -5.02 105.19 109.23 1t0y n GLY 59 Ca -0.23 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 4.07 0.00 1.61 2.12 -1.26 -0.54 118.70 122.70 1t0y s GLU 60 Ca 0.00 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1t0y s GLU 60 Cb 0.00 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1t0y s GLU 60 CO 0.00 0.13 0.00 1.28 -0.54 0.00 0.00 175.26 176.13 1t0y n LEU 61 N 4.05 0.00 0.00 2.70 4.77 -0.44 -4.90 117.00 123.18 1t0y n LEU 61 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 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 0.35 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.48 1t0y n THR 62 N 0.00 0.00 -2.78 -5.08 5.66 -1.26 -4.77 114.28 106.04 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 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 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 -2.26 6.57 0.00 1.09 1.11 -1.26 -4.83 116.67 117.08 1t0y s ASP 63 Ca 0.00 0.31 0.10 0.00 0.18 0.00 0.00 52.55 53.14 1t0y s ASP 63 Cb 0.00 -2.47 0.24 0.00 1.07 0.00 0.00 42.92 41.76 1t0y s ASP 63 CO 0.00 -1.03 1.15 0.61 1.18 0.00 0.00 175.17 177.08 1t0y n GLY 64 N 4.76 2.04 0.11 0.21 0.00 -1.26 -4.19 105.19 106.86 1t0y n GLY 64 Ca 0.07 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.50 2.03 -2.53 4.61 0.00 -1.26 -4.24 120.51 119.62 1t0y n ALA 65 Ca 0.10 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 1t0y n ALA 65 Cb 0.38 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 1t0y n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1t0y s LYS 66 N -3.19 1.80 0.60 0.00 -2.85 -1.26 -5.09 119.74 109.76 1t0y s LYS 66 Ca 0.08 -2.01 -0.05 0.00 -1.00 0.00 0.00 55.97 52.99 1t0y s LYS 66 Cb 0.11 -1.25 0.02 0.00 -2.06 0.00 0.00 37.83 34.66 1t0y s LYS 66 CO 0.51 -0.12 0.90 -1.54 0.10 0.00 0.00 175.35 175.20 1t0y s SER 67 N -3.60 5.38 0.41 0.03 1.04 -1.26 -3.69 113.70 112.01 1t0y s SER 67 Ca 0.36 0.54 0.11 0.00 0.48 0.00 0.00 55.95 57.43 1t0y s SER 67 Cb 0.09 -1.46 0.86 0.00 0.10 0.00 0.00 66.02 65.62 1t0y s SER 67 CO 0.17 -1.18 1.95 -0.07 0.98 0.00 0.00 173.24 175.09 1t0y h LEU 68 N -0.21 0.18 -0.16 2.42 3.38 -0.88 -0.20 115.31 119.83 1t0y h LEU 68 Ca -0.45 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1t0y h LEU 68 Cb 1.28 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1t0y h LEU 68 CO 0.59 0.32 -0.05 0.50 0.09 0.00 0.00 178.44 179.89 1t0y h LYS 69 N 0.19 0.32 0.00 1.13 3.64 -1.00 -0.25 116.57 120.59 1t0y h LYS 69 Ca 0.04 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1t0y h LYS 69 Cb 0.31 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1t0y h LYS 69 CO 0.02 0.61 -0.06 0.22 -2.27 0.00 0.00 179.45 177.96 1t0y h ASP 70 N 0.01 0.00 1.19 4.20 3.58 -1.68 -0.67 116.42 123.05 1t0y h ASP 70 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1t0y h ASP 70 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1t0y h ASP 70 CO 0.02 0.06 0.00 -0.07 -2.88 0.00 0.00 179.24 176.37 1t0y h LEU 71 N 0.00 0.00 0.00 2.28 3.38 -0.90 -3.47 115.31 116.60 1t0y h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t0y h LEU 71 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1t0y h LEU 71 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1t0y n GLY 72 N 0.76 0.68 3.45 0.83 0.00 -0.26 -5.00 105.19 105.66 1t0y n GLY 72 Ca 0.04 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 4.35 0.48 1.61 1.01 -0.12 -4.99 120.40 120.74 1t0y s VAL 73 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1t0y s VAL 73 Cb 0.00 -4.70 0.03 0.00 0.00 0.00 0.00 36.38 31.72 1t0y s VAL 73 CO 0.00 -1.47 0.28 0.54 0.00 0.00 0.00 175.10 174.46 1t0y n ARG 74 N 7.62 0.79 -2.16 2.72 1.74 -1.26 -4.21 116.66 121.89 1t0y n ARG 74 Ca -0.01 -3.14 -0.41 0.00 -0.77 0.00 0.00 57.85 53.53 1t0y n ARG 74 Cb 0.46 0.46 -0.02 0.00 -1.02 0.00 0.00 32.46 32.33 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 -3.80 6.84 0.00 0.55 -4.77 -1.26 -2.37 116.67 111.86 1t0y s ASP 75 Ca 0.22 2.62 0.00 0.00 -3.30 0.00 0.00 52.55 52.09 1t0y s ASP 75 Cb -0.02 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1t0y s ASP 75 CO 0.14 -0.48 0.00 0.61 0.70 0.00 0.00 175.17 176.13 1t0y n GLY 76 N 0.93 1.13 3.82 2.12 0.00 -0.35 -4.92 105.19 107.91 1t0y n GLY 76 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.46 3.53 -0.12 1.61 1.51 -1.00 -4.61 117.35 115.80 1t0y s TYR 77 Ca 0.00 1.47 -0.02 0.00 -1.01 0.00 0.00 57.07 57.50 1t0y s TYR 77 Cb 0.00 -2.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.12 1t0y s TYR 77 CO 0.00 0.17 -0.04 -0.98 -1.11 0.00 0.00 175.55 173.59 1t0y s ARG 78 N -2.46 3.36 -0.22 -0.62 1.70 0.44 -3.08 118.95 118.06 1t0y s ARG 78 Ca 0.51 -0.51 -0.08 0.00 -0.47 0.00 0.00 55.73 55.17 1t0y s ARG 78 Cb -0.14 -2.82 -0.04 0.00 -0.57 0.00 0.00 34.95 31.39 1t0y s ARG 78 CO 0.19 0.40 0.09 0.42 -1.08 0.00 0.00 175.30 175.32 1t0y s ILE 79 N -0.09 4.72 -0.16 4.99 1.09 0.51 -0.27 121.20 131.99 1t0y s ILE 79 Ca 0.02 -0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.49 1t0y s ILE 79 Cb -0.13 -3.18 -0.02 0.00 -1.06 0.00 0.00 42.46 38.07 1t0y s ILE 79 CO 0.03 0.38 -0.04 -2.28 -0.10 0.00 0.00 174.94 172.92 1t0y s HIS 80 N 1.05 3.00 -0.04 3.97 5.65 0.78 -0.35 115.29 129.36 1t0y s HIS 80 Ca 0.05 -0.38 0.06 0.00 0.25 0.00 0.00 55.06 55.04 1t0y s HIS 80 Cb -0.14 -1.97 -0.02 0.00 -1.18 0.00 0.00 32.58 29.27 1t0y s HIS 80 CO 0.03 -0.10 -0.21 0.00 -0.65 0.00 0.00 174.74 173.82 1t0y s ALA 81 N 0.48 2.37 -0.08 1.58 0.00 0.85 0.56 121.76 127.53 1t0y s ALA 81 Ca -0.04 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1t0y s ALA 81 Cb -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1t0y s ALA 81 CO 0.03 0.53 -0.20 0.54 0.00 0.00 0.00 175.76 176.66 1t0y s VAL 82 N -0.63 1.74 -0.43 0.00 0.11 0.16 -0.67 120.40 120.70 1t0y s VAL 82 Ca 0.10 -0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 58.00 1t0y s VAL 82 Cb -0.10 -1.51 0.02 0.00 -1.53 0.00 0.00 36.38 33.25 1t0y s VAL 82 CO -0.00 0.49 1.18 -1.81 -3.33 0.00 0.00 175.10 171.63 1t0y s ASP 83 N 0.28 6.65 -0.00 3.54 1.11 -1.26 -0.73 116.67 126.26 1t0y s ASP 83 Ca -0.13 0.68 -0.14 0.00 0.18 0.00 0.00 52.55 53.14 1t0y s ASP 83 Cb -0.16 -2.55 -0.34 0.00 1.07 0.00 0.00 42.92 40.95 1t0y s ASP 83 CO 0.06 -1.20 0.86 0.58 1.18 0.00 0.00 175.17 176.65 1t0y h VAL 84 N 6.16 1.14 -0.02 -1.27 2.07 -1.40 -2.99 116.25 119.94 1t0y h VAL 84 Ca -0.23 -2.62 -0.16 0.00 0.82 0.00 0.00 66.70 64.51 1t0y h VAL 84 Cb 1.07 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.76 1t0y h VAL 84 CO 1.10 0.83 -0.71 0.00 0.02 0.00 0.00 177.57 178.80 1t0y h THR 85 N 0.13 1.47 -0.01 2.57 1.03 -1.83 -3.05 112.91 113.22 1t0y h THR 85 Ca -0.30 -2.33 0.00 0.00 -0.01 0.00 0.00 66.41 63.77 1t0y h THR 85 Cb 2.14 2.25 0.00 0.00 -1.07 0.00 0.00 68.15 71.48 1t0y h THR 85 CO 0.24 0.68 -0.21 0.61 -0.01 0.00 0.00 175.52 176.83 1t0y n GLY 86 N 0.51 -0.50 0.72 2.99 0.00 -1.25 -5.05 105.19 102.61 1t0y n GLY 86 Ca -0.02 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 1.31 -2.20 3.67 -0.02 0.00 -1.13 -4.47 105.19 102.35 1t0y n GLY 87 Ca 0.13 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -5.90 7.01 -0.40 1.61 3.04 -1.26 -4.43 114.94 114.60 1t0y s ASN 88 Ca 0.00 1.25 -0.23 0.00 0.04 0.00 0.00 52.86 53.91 1t0y s ASN 88 Cb 0.00 -2.48 0.03 0.00 -1.54 0.00 0.00 41.25 37.26 1t0y s ASN 88 CO 0.00 -0.46 0.54 -0.62 -3.04 0.00 0.00 177.10 173.52 1t0y n GLU 89 N 5.45 -2.14 0.00 0.43 1.02 -1.26 -5.12 120.64 119.03 1t0y n GLU 89 Ca 0.06 1.80 0.00 0.00 -0.02 0.00 0.00 57.16 59.00 1t0y n GLU 89 Cb 0.48 -3.82 0.00 0.00 -0.02 0.00 0.00 31.44 28.08 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84