#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 4.69 -0.27 2.03 2.01 -1.26 -4.78 115.64 118.06 1t0y s THR 2 Ca 0.00 0.81 -0.24 0.00 0.31 0.00 0.00 61.69 62.56 1t0y s THR 2 Cb 0.00 -4.26 0.07 0.00 0.01 0.00 0.00 72.50 68.32 1t0y s THR 2 CO 0.00 -0.53 0.72 -0.70 -0.69 0.00 0.00 174.62 173.43 1t0y s GLU 3 N 3.22 0.83 0.04 4.92 2.12 -1.26 -5.07 118.70 123.49 1t0y s GLU 3 Ca 0.32 1.00 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 1t0y s GLU 3 Cb -0.13 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 1t0y s GLU 3 CO 0.19 -0.10 -0.03 0.14 -0.54 0.00 0.00 175.26 174.92 1t0y s VAL 4 N 0.45 0.18 -0.02 3.70 -7.23 -1.26 0.22 120.40 116.44 1t0y s VAL 4 Ca -0.00 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1t0y s VAL 4 Cb -0.05 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 1t0y s VAL 4 CO -0.00 -0.81 -0.19 -0.31 -0.31 0.00 0.00 175.10 173.47 1t0y s TYR 5 N -2.99 1.76 -0.27 2.82 2.02 0.10 -4.77 117.35 116.02 1t0y s TYR 5 Ca -0.02 -0.35 -0.23 0.00 -0.37 0.00 0.00 57.07 56.10 1t0y s TYR 5 Cb 0.01 -1.14 -0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1t0y s TYR 5 CO -0.07 -0.04 0.78 -0.51 -1.57 0.00 0.00 175.55 174.14 1t0y s ASP 6 N -0.41 6.72 0.21 2.29 1.01 -1.26 -0.93 116.67 124.30 1t0y s ASP 6 Ca 0.06 0.82 0.11 0.00 0.71 0.00 0.00 52.55 54.26 1t0y s ASP 6 Cb -0.08 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1t0y s ASP 6 CO -0.00 -0.54 -0.18 -0.76 0.21 0.00 0.00 175.17 173.90 1t0y s LEU 7 N 2.84 2.63 -0.20 1.23 1.43 0.26 0.30 118.68 127.18 1t0y s LEU 7 Ca 0.32 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1t0y s LEU 7 Cb -0.15 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1t0y s LEU 7 CO 0.10 0.09 -0.01 -0.70 0.23 0.00 0.00 176.35 176.06 1t0y s GLU 8 N -2.95 3.55 -0.15 1.70 2.12 -0.36 0.37 118.70 122.98 1t0y s GLU 8 Ca 0.24 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 1t0y s GLU 8 Cb -0.07 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 1t0y s GLU 8 CO 0.13 -0.04 0.30 0.42 -0.54 0.00 0.00 175.26 175.53 1t0y s ILE 9 N 1.12 5.29 0.05 -3.70 -1.09 0.10 0.34 121.20 123.31 1t0y s ILE 9 Ca 0.02 0.57 0.04 0.00 -2.23 0.00 0.00 60.65 59.05 1t0y s ILE 9 Cb -0.14 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1t0y s ILE 9 CO 0.01 0.40 -0.11 0.42 -1.23 0.00 0.00 174.94 174.43 1t0y s THR 10 N 0.34 0.82 0.06 2.92 -4.23 0.13 -2.09 115.64 113.58 1t0y s THR 10 Ca 0.17 -1.15 -0.15 0.00 -1.18 0.00 0.00 61.69 59.39 1t0y s THR 10 Cb -0.13 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 72.90 1t0y s THR 10 CO 0.05 -0.27 0.33 -0.89 -0.54 0.00 0.00 174.62 173.29 1t0y s THR 11 N -1.26 0.08 -0.47 3.99 2.01 -1.26 -0.48 115.64 118.25 1t0y s THR 11 Ca -0.05 -0.66 0.25 0.00 0.31 0.00 0.00 61.69 61.54 1t0y s THR 11 Cb -0.10 -1.00 0.27 0.00 0.01 0.00 0.00 72.50 71.69 1t0y s THR 11 CO 0.01 -0.36 1.75 -0.55 -0.69 0.00 0.00 174.62 174.78 1t0y h ASN 12 N 3.03 0.00 -0.01 3.53 -0.00 -1.56 -2.73 115.58 117.83 1t0y h ASN 12 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 1t0y h ASN 12 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1t0y h ASN 12 CO 0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 177.43 177.75 1t0y n ALA 13 N -1.82 2.76 -2.40 4.14 0.00 -1.26 -4.95 120.51 116.98 1t0y n ALA 13 Ca 0.03 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 1t0y n ALA 13 Cb 0.29 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.10 1t0y n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t0y s THR 14 N -1.47 2.53 -0.18 0.00 -4.23 -1.03 -5.03 115.64 106.23 1t0y s THR 14 Ca 0.15 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1t0y s THR 14 Cb 0.12 -1.99 -0.22 0.00 1.34 0.00 0.00 72.50 71.76 1t0y s THR 14 CO 0.27 0.47 0.19 -0.67 -0.54 0.00 0.00 174.62 174.34 1t0y n ASP 15 N 2.01 2.01 -4.64 3.99 2.03 -1.26 -4.40 116.55 116.29 1t0y n ASP 15 Ca -0.16 0.26 -0.42 0.00 0.52 0.00 0.00 54.79 54.98 1t0y n ASP 15 Cb 0.52 -0.85 -0.04 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.49 3.28 0.00 -0.67 5.36 -1.26 -5.02 117.98 117.18 1t0y s PHE 16 Ca -0.27 1.07 -0.30 0.00 -0.96 0.00 0.00 56.93 56.47 1t0y s PHE 16 Cb 0.07 -3.13 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1t0y s PHE 16 CO 0.67 -0.46 1.03 -2.14 -1.46 0.00 0.00 175.22 172.86 1t0y s PRO 17 N 2.92 4.52 -0.03 10.12 0.02 -1.26 -4.90 135.00 146.39 1t0y s PRO 17 Ca 0.35 1.50 0.04 0.00 0.02 0.00 0.00 61.00 62.91 1t0y s PRO 17 Cb -0.15 -3.45 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 1t0y s PRO 17 CO 0.09 -0.13 -0.16 1.41 -0.33 0.00 0.00 177.00 177.88 1t0y s MET 18 N 1.15 1.56 -0.18 5.54 1.75 -0.89 -4.93 119.30 123.30 1t0y s MET 18 Ca 0.53 -0.58 -0.21 0.00 -1.25 0.00 0.00 55.69 54.18 1t0y s MET 18 Cb -0.23 -1.41 -0.03 0.00 2.84 0.00 0.00 34.83 36.01 1t0y s MET 18 CO 0.27 0.27 0.64 -1.83 -0.65 0.00 0.00 175.02 173.73 1t0y s GLU 19 N -0.10 4.25 0.02 4.11 1.03 -1.26 0.00 118.70 126.75 1t0y s GLU 19 Ca -0.00 0.66 0.01 0.00 0.03 0.00 0.00 54.97 55.67 1t0y s GLU 19 Cb -0.09 -3.56 -0.01 0.00 -0.80 0.00 0.00 34.13 29.67 1t0y s GLU 19 CO 0.01 -0.19 -0.04 0.21 -1.33 0.00 0.00 175.26 173.92 1t0y s LYS 20 N 1.74 0.31 -0.16 -4.83 2.20 0.16 -4.94 119.74 114.22 1t0y s LYS 20 Ca 0.30 -0.44 -0.15 0.00 -0.36 0.00 0.00 55.97 55.32 1t0y s LYS 20 Cb -0.16 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 1t0y s LYS 20 CO 0.11 0.01 0.35 0.21 -0.36 0.00 0.00 175.35 175.67 1t0y s LYS 21 N -0.95 4.27 0.08 4.03 2.20 -1.26 -0.57 119.74 127.54 1t0y s LYS 21 Ca -0.08 0.19 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 1t0y s LYS 21 Cb -0.06 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1t0y s LYS 21 CO -0.00 0.19 -0.14 0.71 -0.36 0.00 0.00 175.35 175.75 1t0y s TYR 22 N 0.60 1.24 0.32 4.03 2.02 -0.10 -4.96 117.35 120.49 1t0y s TYR 22 Ca 0.19 -0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 1t0y s TYR 22 Cb -0.14 -0.68 -0.10 0.00 -0.40 0.00 0.00 41.96 40.64 1t0y s TYR 22 CO 0.06 0.07 1.20 -2.14 -1.57 0.00 0.00 175.55 173.17 1t0y s PRO 23 N -1.99 4.43 0.15 -1.71 0.02 -1.26 0.00 135.00 134.65 1t0y s PRO 23 Ca 0.00 2.00 -0.13 0.00 0.02 0.00 0.00 61.00 62.90 1t0y s PRO 23 Cb -0.09 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.40 1t0y s PRO 23 CO 0.02 -0.04 1.64 0.00 -0.33 0.00 0.00 177.00 178.29 1t0y h ALA 24 N 3.45 0.67 -0.00 -1.55 0.00 -0.53 -2.91 119.26 118.39 1t0y h ALA 24 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1t0y h ALA 24 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1t0y h ALA 24 CO 0.66 0.40 -0.01 0.41 0.00 0.00 0.00 179.25 180.70 1t0y n GLY 25 N -0.54 -1.05 3.79 0.00 0.00 -1.26 -1.44 105.19 104.69 1t0y n GLY 25 Ca 0.01 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.25 3.59 0.41 1.61 0.00 -1.10 -4.78 119.30 116.78 1t0y s MET 26 Ca 0.39 1.39 -0.16 0.00 0.00 0.00 0.00 55.69 57.31 1t0y s MET 26 Cb 0.21 -2.06 -0.09 0.00 0.00 0.00 0.00 34.83 32.89 1t0y s MET 26 CO 0.41 -0.61 0.86 -1.54 0.00 0.00 0.00 175.02 174.14 1t0y s SER 27 N -2.09 6.73 0.49 1.11 1.04 -1.26 -1.41 113.70 118.31 1t0y s SER 27 Ca 0.68 1.43 0.16 0.00 0.48 0.00 0.00 55.95 58.70 1t0y s SER 27 Cb -0.18 -2.44 1.18 0.00 0.10 0.00 0.00 66.02 64.68 1t0y s SER 27 CO 0.25 -0.37 2.08 0.25 0.98 0.00 0.00 173.24 176.43 1t0y h LEU 28 N 1.65 0.00 -0.65 2.42 7.12 -1.70 -2.23 115.31 121.92 1t0y h LEU 28 Ca -0.48 0.00 -0.02 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 41.28 1t0y h LEU 28 CO 0.63 0.09 0.33 0.78 -0.13 0.00 0.00 178.44 180.14 1t0y h ASN 29 N 0.00 0.84 0.74 1.25 2.35 -1.85 0.92 115.58 119.82 1t0y h ASN 29 Ca -0.00 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.51 1t0y h ASN 29 Cb 0.16 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1t0y h ASN 29 CO 0.01 0.71 -0.59 -0.78 -1.65 0.00 0.00 177.43 175.14 1t0y h ASP 30 N 0.90 0.00 -0.14 5.81 1.82 -1.84 -0.70 116.42 122.28 1t0y h ASP 30 Ca 0.23 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1t0y h ASP 30 Cb 0.08 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 1t0y h ASP 30 CO -0.03 0.59 0.07 0.25 -1.61 0.00 0.00 179.24 178.51 1t0y h LEU 31 N 0.00 0.18 0.05 2.28 7.12 -0.82 0.28 115.31 124.40 1t0y h LEU 31 Ca -0.01 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.90 1t0y h LEU 31 Cb 1.12 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1t0y h LEU 31 CO 0.08 0.23 -0.02 0.11 -0.13 0.00 0.00 178.44 178.71 1t0y h LYS 32 N 0.11 -0.06 -0.03 1.25 1.57 -0.59 -1.11 116.57 117.71 1t0y h LYS 32 Ca 0.05 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1t0y h LYS 32 Cb 0.10 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1t0y h LYS 32 CO -0.01 -0.03 0.03 0.87 -0.57 0.00 0.00 179.45 179.74 1t0y h LYS 33 N -0.07 0.00 -0.17 3.15 1.57 -0.79 0.73 116.57 120.99 1t0y h LYS 33 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1t0y h LYS 33 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1t0y h LYS 33 CO 0.01 0.00 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.26 1t0y h LYS 34 N 0.00 0.57 -0.22 3.15 1.63 0.10 -1.68 116.57 120.12 1t0y h LYS 34 Ca 0.02 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.40 1t0y h LYS 34 Cb 0.07 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1t0y h LYS 34 CO -0.00 1.01 0.06 -0.07 -3.45 0.00 0.00 179.45 177.00 1t0y h LEU 35 N 0.22 0.33 -1.93 5.20 3.38 0.11 -2.86 115.31 119.76 1t0y h LEU 35 Ca -0.00 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1t0y h LEU 35 Cb 1.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1t0y h LEU 35 CO 0.09 0.46 0.10 -0.33 0.09 0.00 0.00 178.44 178.86 1t0y h GLU 36 N 0.18 0.08 -0.13 1.13 4.39 0.41 0.44 114.58 121.09 1t0y h GLU 36 Ca 0.07 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1t0y h GLU 36 Cb 0.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1t0y h GLU 36 CO -0.00 0.06 -0.22 1.25 -1.16 0.00 0.00 179.01 178.94 1t0y h LEU 37 N 0.09 0.21 0.11 1.33 5.85 -1.06 0.41 115.31 122.25 1t0y h LEU 37 Ca 0.06 -0.06 -0.34 0.00 0.84 0.00 0.00 57.88 58.39 1t0y h LEU 37 Cb 0.15 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1t0y h LEU 37 CO -0.01 0.44 -1.80 0.58 -0.34 0.00 0.00 178.44 177.31 1t0y h VAL 38 N 0.20 0.74 0.00 1.05 2.07 -0.85 -3.38 116.25 116.07 1t0y h VAL 38 Ca 0.04 -2.34 -0.18 0.00 0.82 0.00 0.00 66.70 65.03 1t0y h VAL 38 Cb 0.50 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1t0y h VAL 38 CO 0.03 0.79 -0.90 0.58 0.02 0.00 0.00 177.57 178.09 1t0y h VAL 39 N -0.12 1.39 0.00 2.57 2.07 -0.22 -3.47 116.25 118.46 1t0y h VAL 39 Ca -0.39 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.13 1t0y h VAL 39 Cb 1.91 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 34.36 1t0y h VAL 39 CO 0.05 0.79 0.00 0.61 0.02 0.00 0.00 177.57 179.04 1t0y n GLY 40 N 1.33 0.76 3.65 2.17 0.00 0.14 -5.03 105.19 108.22 1t0y n GLY 40 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.45 0.00 -4.26 2.61 -1.04 -1.25 -5.05 114.28 102.84 1t0y n THR 41 Ca 0.00 -0.99 -0.31 0.00 -2.04 0.00 0.00 64.05 60.71 1t0y n THR 41 Cb 0.00 -1.47 -0.09 0.00 -1.82 0.00 0.00 70.33 66.95 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 -3.66 3.97 0.24 12.58 -4.23 -1.26 -4.86 115.64 118.42 1t0y s THR 42 Ca 0.70 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 1t0y s THR 42 Cb -0.02 -2.81 0.23 0.00 1.34 0.00 0.00 72.50 71.23 1t0y s THR 42 CO 0.49 0.27 1.87 0.58 -0.54 0.00 0.00 174.62 177.29 1t0y h VAL 43 N 3.32 1.08 0.00 2.29 2.07 -1.95 -1.21 116.25 121.85 1t0y h VAL 43 Ca -0.48 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1t0y h VAL 43 Cb 1.17 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1t0y h VAL 43 CO 0.57 0.19 -0.41 -0.78 0.02 0.00 0.00 177.57 177.16 1t0y h ASP 44 N 1.05 0.00 -0.10 0.57 3.58 -2.03 -2.97 116.42 116.51 1t0y h ASP 44 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1t0y h ASP 44 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1t0y h ASP 44 CO -0.15 0.41 0.00 -1.20 -2.88 0.00 0.00 179.24 175.42 1t0y n SER 45 N -3.76 2.48 -4.17 2.28 7.64 -0.51 -4.87 113.62 112.72 1t0y n SER 45 Ca -0.01 -1.82 -0.32 0.00 1.01 0.00 0.00 58.87 57.73 1t0y n SER 45 Cb 0.48 -0.06 -0.17 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.89 2.95 0.02 1.43 -2.45 -0.90 0.13 119.30 118.60 1t0y s MET 46 Ca 0.33 -0.83 0.07 0.00 -1.25 0.00 0.00 55.69 54.01 1t0y s MET 46 Cb 0.20 -2.36 -0.03 0.00 1.25 0.00 0.00 34.83 33.89 1t0y s MET 46 CO 0.31 0.01 -0.20 1.03 1.05 0.00 0.00 175.02 177.22 1t0y s ARG 47 N 0.75 2.09 -0.15 4.11 0.52 0.23 -4.90 118.95 121.61 1t0y s ARG 47 Ca -0.09 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.14 1t0y s ARG 47 Cb -0.16 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 1t0y s ARG 47 CO -0.00 0.55 -0.07 0.42 0.02 0.00 0.00 175.30 176.22 1t0y s ILE 48 N -0.84 3.63 0.11 1.52 1.09 -1.26 -0.24 121.20 125.21 1t0y s ILE 48 Ca 0.13 -0.45 0.08 0.00 -1.10 0.00 0.00 60.65 59.30 1t0y s ILE 48 Cb -0.10 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.68 1t0y s ILE 48 CO 0.03 0.50 -0.12 -1.10 -0.10 0.00 0.00 174.94 174.15 1t0y s GLN 49 N 0.35 2.03 -0.17 2.79 1.11 0.22 0.23 119.66 126.22 1t0y s GLN 49 Ca -0.06 -1.07 -0.02 0.00 0.01 0.00 0.00 55.36 54.22 1t0y s GLN 49 Cb -0.15 -2.25 -0.01 0.00 -1.01 0.00 0.00 33.01 29.59 1t0y s GLN 49 CO 0.04 0.50 -0.10 -1.17 0.01 0.00 0.00 175.29 174.57 1t0y s LEU 50 N -2.21 2.74 0.07 2.90 0.20 -0.20 0.27 118.68 122.45 1t0y s LEU 50 Ca 0.21 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.69 1t0y s LEU 50 Cb -0.11 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1t0y s LEU 50 CO 0.13 0.07 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.83 1t0y s PHE 51 N 0.93 2.84 0.27 5.38 0.40 0.63 -0.37 117.98 128.06 1t0y s PHE 51 Ca -0.02 -0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1t0y s PHE 51 Cb -0.15 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 41.93 1t0y s PHE 51 CO -0.00 0.42 0.37 -0.40 0.70 0.00 0.00 175.22 176.31 1t0y n ASP 52 N 0.94 0.25 -0.03 1.36 5.68 -0.63 -1.19 116.55 122.93 1t0y n ASP 52 Ca -0.13 -1.27 0.14 0.00 -0.50 0.00 0.00 54.79 53.03 1t0y n ASP 52 Cb 0.52 -0.26 0.66 0.00 -1.14 0.00 0.00 41.12 40.90 1t0y n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t0y n GLY 53 N 2.39 -1.22 0.03 6.12 0.00 -1.26 -3.84 105.19 107.39 1t0y n GLY 53 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1t0y n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1t0y h ASP 54 N 0.16 0.00 0.00 1.61 5.19 -1.98 -3.50 116.42 117.91 1t0y h ASP 54 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1t0y h ASP 54 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1t0y h ASP 54 CO 0.00 0.28 0.00 -0.67 -3.12 0.00 0.00 179.24 175.73 1t0y n ASP 55 N -3.15 0.00 -4.75 6.45 2.03 -1.25 -5.16 116.55 110.72 1t0y n ASP 55 Ca -0.02 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.92 1t0y n ASP 55 Cb 0.09 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.53 1t0y n ASP 55 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1t0y s GLN 56 N 0.00 3.01 -0.27 -0.67 1.11 -1.26 -4.59 119.66 116.99 1t0y s GLN 56 Ca 0.00 2.00 -0.25 0.00 0.01 0.00 0.00 55.36 57.12 1t0y s GLN 56 Cb 0.00 -2.06 -0.00 0.00 -1.01 0.00 0.00 33.01 29.94 1t0y s GLN 56 CO 0.00 -1.22 0.86 -1.17 0.01 0.00 0.00 175.29 173.77 1t0y s LEU 57 N -3.86 4.07 0.02 2.90 0.20 -1.26 -1.60 118.68 119.14 1t0y s LEU 57 Ca 0.75 0.95 -0.01 0.00 0.69 0.00 0.00 54.13 56.52 1t0y s LEU 57 Cb -0.35 -3.22 -0.27 0.00 -0.43 0.00 0.00 46.19 41.93 1t0y s LEU 57 CO 0.39 -0.59 0.91 0.11 -0.29 0.00 0.00 176.35 176.88 1t0y h LYS 58 N 7.83 0.20 -1.22 1.98 1.79 -1.06 -3.49 116.57 122.61 1t0y h LYS 58 Ca -0.23 -0.34 0.34 0.00 -2.18 0.00 0.00 60.65 58.24 1t0y h LYS 58 Cb 1.09 0.13 -0.16 0.00 -1.58 0.00 0.00 32.23 31.71 1t0y h LYS 58 CO 0.90 1.06 0.92 0.20 -1.08 0.00 0.00 179.45 181.44 1t0y s GLY 59 N -4.91 -0.37 -0.25 3.86 0.00 -1.21 -5.02 107.32 99.41 1t0y s GLY 59 Ca -0.07 1.24 -0.07 0.00 0.00 0.00 0.00 44.72 45.82 1t0y s GLY 59 CO 0.85 0.34 0.06 1.85 0.00 0.00 0.00 173.10 176.20 1t0y s GLU 60 N -2.20 3.61 0.00 2.90 2.12 -1.26 -1.03 118.70 122.84 1t0y s GLU 60 Ca 0.13 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1t0y s GLU 60 Cb 0.03 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1t0y s GLU 60 CO -0.05 -0.20 0.00 1.28 -0.54 0.00 0.00 175.26 175.75 1t0y n LEU 61 N 4.92 0.00 0.00 2.70 7.99 0.14 -4.84 117.00 127.90 1t0y n LEU 61 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 1t0y n LEU 61 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1t0y n LEU 61 CO 0.31 0.00 0.00 1.07 -1.51 0.00 0.00 177.39 177.26 1t0y n THR 62 N 0.00 0.00 -2.69 -5.08 5.66 -1.26 -4.54 114.28 106.36 1t0y n THR 62 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 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 -2.28 6.38 0.00 1.09 1.11 -1.26 -4.83 116.67 116.88 1t0y s ASP 63 Ca 0.00 -0.15 0.15 0.00 0.18 0.00 0.00 52.55 52.74 1t0y s ASP 63 Cb 0.00 -2.50 0.13 0.00 1.07 0.00 0.00 42.92 41.62 1t0y s ASP 63 CO 0.00 -1.40 1.00 0.61 1.18 0.00 0.00 175.17 176.56 1t0y n GLY 64 N 5.11 0.21 0.06 0.21 0.00 -1.26 -4.18 105.19 105.34 1t0y n GLY 64 Ca 0.05 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.86 1.78 -2.47 4.61 0.00 -1.26 -4.03 120.51 120.00 1t0y n ALA 65 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 1t0y n ALA 65 Cb 0.39 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.14 1.25 0.87 0.00 -2.85 -1.26 -5.08 119.74 109.54 1t0y s LYS 66 Ca 0.07 -1.25 -0.13 0.00 -1.00 0.00 0.00 55.97 53.66 1t0y s LYS 66 Cb 0.11 -1.63 0.14 0.00 -2.06 0.00 0.00 37.83 34.38 1t0y s LYS 66 CO 0.37 0.38 1.22 -1.54 0.10 0.00 0.00 175.35 175.88 1t0y s SER 67 N -1.98 3.86 0.37 0.03 1.04 -1.26 -3.64 113.70 112.12 1t0y s SER 67 Ca 0.10 0.44 0.06 0.00 0.48 0.00 0.00 55.95 57.03 1t0y s SER 67 Cb -0.10 -0.72 0.72 0.00 0.10 0.00 0.00 66.02 66.01 1t0y s SER 67 CO 0.05 -2.27 1.95 -0.07 0.98 0.00 0.00 173.24 173.88 1t0y h LEU 68 N -1.26 0.46 -0.49 2.42 3.38 -0.99 0.84 115.31 119.67 1t0y h LEU 68 Ca -0.45 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.31 1t0y h LEU 68 Cb 1.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1t0y h LEU 68 CO 0.51 0.46 -0.43 0.50 0.09 0.00 0.00 178.44 179.57 1t0y h LYS 69 N 0.50 0.76 0.00 1.13 3.64 -1.45 0.23 116.57 121.40 1t0y h LYS 69 Ca 0.12 -0.41 -0.19 0.00 -1.27 0.00 0.00 60.65 58.89 1t0y h LYS 69 Cb 0.18 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1t0y h LYS 69 CO -0.01 1.04 -0.92 0.22 -2.27 0.00 0.00 179.45 177.52 1t0y h ASP 70 N 0.62 0.02 0.90 4.20 3.58 -1.68 -3.01 116.42 121.06 1t0y h ASP 70 Ca 0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1t0y h ASP 70 Cb 0.99 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1t0y h ASP 70 CO 0.09 0.93 0.00 0.18 -2.88 0.00 0.00 179.24 177.56 1t0y n LEU 71 N -3.47 0.49 0.00 2.28 4.77 0.23 -4.88 117.00 116.42 1t0y n LEU 71 Ca -0.01 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1t0y n LEU 71 Cb 0.86 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1t0y n LEU 71 CO 0.46 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1t0y n GLY 72 N 0.50 0.53 3.47 -0.72 0.00 -0.68 -4.98 105.19 103.31 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 4.34 0.15 1.61 1.01 0.72 -4.97 120.40 121.27 1t0y s VAL 73 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1t0y s VAL 73 Cb 0.00 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.62 1t0y s VAL 73 CO 0.00 -1.55 0.04 0.54 0.00 0.00 0.00 175.10 174.13 1t0y n ARG 74 N 7.65 1.52 -1.78 2.72 1.74 -1.26 -4.36 116.66 122.89 1t0y n ARG 74 Ca 0.08 -1.06 -0.41 0.00 -0.77 0.00 0.00 57.85 55.68 1t0y n ARG 74 Cb 0.47 0.23 -0.01 0.00 -1.02 0.00 0.00 32.46 32.14 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 -1.86 6.34 0.00 0.55 1.01 -1.26 -2.35 116.67 119.11 1t0y s ASP 75 Ca 0.03 3.01 0.00 0.00 0.71 0.00 0.00 52.55 56.30 1t0y s ASP 75 Cb -0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1t0y s ASP 75 CO 0.02 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.10 1t0y n GLY 76 N 1.40 1.57 3.82 0.21 0.00 0.15 -4.93 105.19 107.42 1t0y n GLY 76 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.09 3.28 -0.24 1.61 2.02 -0.99 -4.66 117.35 115.29 1t0y s TYR 77 Ca 0.00 1.52 -0.07 0.00 -0.37 0.00 0.00 57.07 58.15 1t0y s TYR 77 Cb 0.00 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.65 1t0y s TYR 77 CO 0.00 -0.50 0.07 1.03 -1.57 0.00 0.00 175.55 174.58 1t0y s ARG 78 N -3.78 3.71 -0.22 -0.62 0.52 -0.33 -1.22 118.95 117.01 1t0y s ARG 78 Ca 0.61 -0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 55.30 1t0y s ARG 78 Cb -0.12 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1t0y s ARG 78 CO 0.27 -0.10 0.07 0.42 0.02 0.00 0.00 175.30 175.97 1t0y s ILE 79 N 1.39 4.49 -0.12 1.52 1.09 0.15 -0.27 121.20 129.45 1t0y s ILE 79 Ca 0.05 -0.12 0.01 0.00 -1.10 0.00 0.00 60.65 59.49 1t0y s ILE 79 Cb -0.15 -3.07 -0.01 0.00 -1.06 0.00 0.00 42.46 38.17 1t0y s ILE 79 CO 0.04 0.38 -0.16 -2.28 -0.10 0.00 0.00 174.94 172.82 1t0y s HIS 80 N 1.17 2.75 -0.04 3.97 2.46 0.14 0.17 115.29 125.91 1t0y s HIS 80 Ca 0.04 -0.73 0.03 0.00 0.47 0.00 0.00 55.06 54.88 1t0y s HIS 80 Cb -0.14 -1.81 -0.03 0.00 -0.13 0.00 0.00 32.58 30.47 1t0y s HIS 80 CO 0.03 -0.25 -0.12 0.00 -2.47 0.00 0.00 174.74 171.93 1t0y s ALA 81 N 0.33 2.79 -0.00 1.58 0.00 0.37 0.70 121.76 127.52 1t0y s ALA 81 Ca -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1t0y s ALA 81 Cb -0.16 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 1t0y s ALA 81 CO 0.06 0.57 0.04 0.54 0.00 0.00 0.00 175.76 176.98 1t0y s VAL 82 N -0.79 0.06 -0.05 0.00 0.11 0.66 -1.19 120.40 119.20 1t0y s VAL 82 Ca 0.13 -0.49 -0.26 0.00 -2.93 0.00 0.00 61.98 58.42 1t0y s VAL 82 Cb -0.11 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1t0y s VAL 82 CO 0.02 -0.27 0.83 -0.62 -3.33 0.00 0.00 175.10 171.73 1t0y s ASP 83 N -0.83 7.15 -0.13 3.54 -1.08 -1.26 -0.60 116.67 123.46 1t0y s ASP 83 Ca -0.09 1.39 0.19 0.00 -0.52 0.00 0.00 52.55 53.52 1t0y s ASP 83 Cb -0.06 -2.48 -0.27 0.00 -1.46 0.00 0.00 42.92 38.65 1t0y s ASP 83 CO 0.00 -0.20 0.25 0.52 0.52 0.00 0.00 175.17 176.26 1t0y n VAL 84 N 3.90 0.95 0.10 1.11 0.31 0.12 -1.84 118.33 122.98 1t0y n VAL 84 Ca 0.02 -0.74 -0.05 0.00 -0.01 0.00 0.00 64.34 63.56 1t0y n VAL 84 Cb 0.51 -0.34 0.07 0.00 -0.91 0.00 0.00 33.84 33.17 1t0y n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t0y h THR 85 N 0.00 1.47 -0.01 2.52 1.03 -1.93 -2.44 112.91 113.56 1t0y h THR 85 Ca -0.36 -2.38 0.00 0.00 -0.01 0.00 0.00 66.41 63.66 1t0y h THR 85 Cb 1.82 2.28 0.00 0.00 -1.07 0.00 0.00 68.15 71.19 1t0y h THR 85 CO 0.02 0.69 -0.21 0.61 -0.01 0.00 0.00 175.52 176.62 1t0y n GLY 86 N 0.58 -0.50 2.16 2.99 0.00 -1.26 -4.93 105.19 104.23 1t0y n GLY 86 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 0.33 3.70 -0.02 0.00 -0.92 -4.98 105.19 104.60 1t0y n GLY 87 Ca 0.13 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.23 7.16 -1.85 1.61 -0.87 -0.77 -2.86 114.94 114.12 1t0y s ASN 88 Ca 0.15 1.75 0.00 0.00 -1.57 0.00 0.00 52.86 53.20 1t0y s ASN 88 Cb -0.07 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1t0y s ASN 88 CO 0.27 -0.47 0.00 -0.62 -2.57 0.00 0.00 177.10 173.70 1t0y n GLU 89 N 4.70 -1.28 0.00 -0.60 -0.58 -1.26 -4.65 120.64 116.97 1t0y n GLU 89 Ca 0.09 1.09 0.08 0.00 -0.42 0.00 0.00 57.16 58.00 1t0y n GLU 89 Cb 0.48 -5.39 0.06 0.00 -0.57 0.00 0.00 31.44 26.02 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18