#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 4.09 -0.27 2.03 2.01 -1.26 -4.93 115.64 117.31 1t0y s THR 2 Ca 0.00 1.16 -0.04 0.00 0.31 0.00 0.00 61.69 63.12 1t0y s THR 2 Cb 0.00 -4.31 0.15 0.00 0.01 0.00 0.00 72.50 68.35 1t0y s THR 2 CO 0.00 -0.73 0.52 -0.70 -0.69 0.00 0.00 174.62 173.03 1t0y s GLU 3 N 4.50 0.48 0.14 4.92 2.12 -1.26 -5.09 118.70 124.51 1t0y s GLU 3 Ca 0.55 0.97 0.09 0.00 0.36 0.00 0.00 54.97 56.94 1t0y s GLU 3 Cb -0.13 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 1t0y s GLU 3 CO 0.28 -0.49 -0.21 0.14 -0.54 0.00 0.00 175.26 174.44 1t0y s VAL 4 N 2.75 1.88 -0.07 3.70 -7.23 -1.26 -0.47 120.40 119.68 1t0y s VAL 4 Ca 0.10 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1t0y s VAL 4 Cb -0.14 -1.78 0.01 0.00 0.56 0.00 0.00 36.38 35.03 1t0y s VAL 4 CO -0.18 -0.16 -0.18 -0.47 -0.31 0.00 0.00 175.10 173.80 1t0y s TYR 5 N -1.58 1.91 -0.34 2.82 6.14 0.12 -4.69 117.35 121.73 1t0y s TYR 5 Ca 0.13 -0.72 -0.18 0.00 0.64 0.00 0.00 57.07 56.94 1t0y s TYR 5 Cb -0.08 -1.32 -0.01 0.00 0.42 0.00 0.00 41.96 40.97 1t0y s TYR 5 CO 0.06 -0.31 0.50 -0.51 0.64 0.00 0.00 175.55 175.93 1t0y s ASP 6 N 0.43 6.32 0.12 4.32 1.01 -1.26 -1.08 116.67 126.53 1t0y s ASP 6 Ca -0.14 0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.18 1t0y s ASP 6 Cb -0.16 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1t0y s ASP 6 CO 0.05 -0.45 0.09 -0.76 0.21 0.00 0.00 175.17 174.31 1t0y s LEU 7 N 2.35 3.72 -0.29 1.23 1.02 0.32 -1.42 118.68 125.62 1t0y s LEU 7 Ca 0.18 -0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.17 1t0y s LEU 7 Cb -0.16 -2.37 0.02 0.00 0.02 0.00 0.00 46.19 43.70 1t0y s LEU 7 CO 0.13 0.12 0.04 -0.70 0.02 0.00 0.00 176.35 175.96 1t0y s GLU 8 N -2.72 2.98 -0.09 1.70 2.12 -1.06 -0.46 118.70 121.16 1t0y s GLU 8 Ca 0.29 -0.92 -0.14 0.00 0.36 0.00 0.00 54.97 54.57 1t0y s GLU 8 Cb -0.11 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1t0y s GLU 8 CO 0.22 -0.45 0.33 0.42 -0.54 0.00 0.00 175.26 175.24 1t0y s ILE 9 N 1.44 5.22 0.06 -3.70 -1.09 0.22 -0.05 121.20 123.30 1t0y s ILE 9 Ca 0.01 0.65 0.01 0.00 -2.23 0.00 0.00 60.65 59.09 1t0y s ILE 9 Cb -0.17 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1t0y s ILE 9 CO 0.01 0.49 -0.06 0.42 -1.23 0.00 0.00 174.94 174.57 1t0y s THR 10 N -0.33 0.47 0.20 2.92 -4.23 -0.13 -1.81 115.64 112.73 1t0y s THR 10 Ca 0.20 -1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 1t0y s THR 10 Cb -0.14 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 1t0y s THR 10 CO 0.08 -0.71 0.36 -0.89 -0.54 0.00 0.00 174.62 172.92 1t0y s THR 11 N -2.75 0.03 0.09 3.99 2.01 -1.25 0.23 115.64 117.99 1t0y s THR 11 Ca 0.01 -1.41 0.33 0.00 0.31 0.00 0.00 61.69 60.93 1t0y s THR 11 Cb -0.01 -2.03 0.37 0.00 0.01 0.00 0.00 72.50 70.84 1t0y s THR 11 CO -0.04 -0.13 1.99 -0.55 -0.69 0.00 0.00 174.62 175.20 1t0y h ASN 12 N 2.41 0.00 -0.02 3.53 -1.07 -1.92 -2.30 115.58 116.20 1t0y h ASN 12 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.07 1t0y h ASN 12 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1t0y h ASN 12 CO 0.43 0.00 -0.14 0.00 0.07 0.00 0.00 177.43 177.79 1t0y n ALA 13 N -2.02 2.78 -2.95 4.14 0.00 -1.26 -4.91 120.51 116.29 1t0y n ALA 13 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 53.44 52.43 1t0y n ALA 13 Cb 0.24 -0.76 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.04 4.16 -0.11 0.00 -4.23 -0.87 -4.94 115.64 107.60 1t0y s THR 14 Ca 0.24 -0.26 0.16 0.00 -1.18 0.00 0.00 61.69 60.65 1t0y s THR 14 Cb 0.18 -2.85 -0.22 0.00 1.34 0.00 0.00 72.50 70.95 1t0y s THR 14 CO 0.36 0.47 0.48 -0.67 -0.54 0.00 0.00 174.62 174.72 1t0y n ASP 15 N 3.71 0.51 -4.63 3.99 2.03 -1.26 -4.55 116.55 116.34 1t0y n ASP 15 Ca -0.17 0.23 -0.37 0.00 0.52 0.00 0.00 54.79 55.00 1t0y n ASP 15 Cb 0.52 0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 41.32 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 -2.69 3.28 0.05 -0.67 5.36 -1.26 -5.06 117.98 116.98 1t0y s PHE 16 Ca -0.06 0.21 -0.31 0.00 -0.96 0.00 0.00 56.93 55.81 1t0y s PHE 16 Cb 0.08 -2.33 -0.06 0.00 -0.34 0.00 0.00 43.02 40.37 1t0y s PHE 16 CO 0.83 -0.03 1.29 -2.14 -1.46 0.00 0.00 175.22 173.71 1t0y s PRO 17 N 1.37 4.36 -0.16 10.12 0.02 -1.26 -4.91 135.00 144.54 1t0y s PRO 17 Ca 0.08 1.88 -0.03 0.00 0.02 0.00 0.00 61.00 62.95 1t0y s PRO 17 Cb -0.15 -3.39 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 1t0y s PRO 17 CO 0.07 -0.39 -0.05 1.41 -0.33 0.00 0.00 177.00 177.71 1t0y s MET 18 N 1.48 3.60 -0.23 5.54 1.75 -0.75 -4.90 119.30 125.80 1t0y s MET 18 Ca 0.61 -0.55 -0.16 0.00 -1.25 0.00 0.00 55.69 54.34 1t0y s MET 18 Cb -0.31 -2.90 -0.04 0.00 2.84 0.00 0.00 34.83 34.43 1t0y s MET 18 CO 0.28 0.18 0.42 -1.83 -0.65 0.00 0.00 175.02 173.43 1t0y s GLU 19 N 0.50 4.12 -0.03 4.11 1.03 -1.26 0.68 118.70 127.86 1t0y s GLU 19 Ca -0.04 0.21 -0.02 0.00 0.03 0.00 0.00 54.97 55.15 1t0y s GLU 19 Cb -0.14 -3.59 0.02 0.00 -0.80 0.00 0.00 34.13 29.62 1t0y s GLU 19 CO 0.03 -0.16 0.07 0.21 -1.33 0.00 0.00 175.26 174.08 1t0y s LYS 20 N 1.70 0.04 -0.17 -4.83 2.47 0.39 -4.95 119.74 114.39 1t0y s LYS 20 Ca 0.19 0.18 -0.09 0.00 -1.56 0.00 0.00 55.97 54.68 1t0y s LYS 20 Cb -0.15 -0.10 -0.05 0.00 -1.46 0.00 0.00 37.83 36.07 1t0y s LYS 20 CO 0.09 -0.09 0.15 0.21 0.16 0.00 0.00 175.35 175.87 1t0y s LYS 21 N 0.59 3.96 0.07 4.03 2.20 -1.26 -0.52 119.74 128.82 1t0y s LYS 21 Ca -0.05 -0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1t0y s LYS 21 Cb -0.07 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1t0y s LYS 21 CO -0.02 0.45 -0.07 0.71 -0.36 0.00 0.00 175.35 176.06 1t0y s TYR 22 N -0.08 0.77 0.21 4.03 2.02 -0.24 -4.96 117.35 119.11 1t0y s TYR 22 Ca 0.11 -0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 55.72 1t0y s TYR 22 Cb -0.12 -0.46 -0.09 0.00 -0.40 0.00 0.00 41.96 40.89 1t0y s TYR 22 CO 0.01 -0.15 1.35 -2.14 -1.57 0.00 0.00 175.55 173.04 1t0y s PRO 23 N -3.08 4.35 0.27 -1.71 0.02 -1.26 0.12 135.00 133.72 1t0y s PRO 23 Ca 0.04 2.13 0.25 0.00 0.02 0.00 0.00 61.00 63.44 1t0y s PRO 23 Cb 0.00 -3.17 0.90 0.00 0.02 0.00 0.00 34.50 32.26 1t0y s PRO 23 CO -0.03 -0.30 1.75 0.00 -0.33 0.00 0.00 177.00 178.09 1t0y h ALA 24 N 5.25 1.00 -0.31 -1.55 0.00 -1.05 -2.53 119.26 120.07 1t0y h ALA 24 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1t0y h ALA 24 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1t0y h ALA 24 CO 0.77 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1t0y n GLY 25 N 0.61 1.23 3.93 0.00 0.00 -1.26 -1.71 105.19 107.99 1t0y n GLY 25 Ca 0.04 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.61 2.73 0.24 1.61 0.00 -0.96 -4.80 119.30 116.52 1t0y s MET 26 Ca 0.36 -0.19 -0.24 0.00 0.00 0.00 0.00 55.69 55.62 1t0y s MET 26 Cb 0.21 -2.30 -0.09 0.00 0.00 0.00 0.00 34.83 32.65 1t0y s MET 26 CO 0.30 -0.78 0.82 -1.54 0.00 0.00 0.00 175.02 173.82 1t0y s SER 27 N -4.36 7.29 0.41 1.11 1.04 -1.26 -3.25 113.70 114.67 1t0y s SER 27 Ca 0.55 1.65 0.08 0.00 0.48 0.00 0.00 55.95 58.71 1t0y s SER 27 Cb -0.10 -2.51 0.87 0.00 0.10 0.00 0.00 66.02 64.37 1t0y s SER 27 CO 0.44 0.07 2.03 0.25 0.98 0.00 0.00 173.24 177.01 1t0y h LEU 28 N 3.68 0.49 -1.77 2.42 7.12 -1.73 -1.77 115.31 123.75 1t0y h LEU 28 Ca -0.47 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.52 1t0y h LEU 28 Cb 1.20 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 1t0y h LEU 28 CO 0.66 0.34 0.03 0.78 -0.13 0.00 0.00 178.44 180.11 1t0y h ASN 29 N 0.57 0.15 0.00 1.25 2.35 -1.82 0.10 115.58 118.19 1t0y h ASN 29 Ca 0.19 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 1t0y h ASN 29 Cb 0.08 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.42 1t0y h ASN 29 CO -0.05 0.16 -0.59 -0.78 -1.65 0.00 0.00 177.43 174.52 1t0y h ASP 30 N 0.17 0.52 -0.16 5.81 3.58 -1.67 -2.50 116.42 122.16 1t0y h ASP 30 Ca 0.04 -0.77 -0.01 0.00 0.42 0.00 0.00 57.03 56.72 1t0y h ASP 30 Cb 0.08 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1t0y h ASP 30 CO -0.00 1.22 0.08 0.25 -2.88 0.00 0.00 179.24 177.91 1t0y h LEU 31 N -0.13 0.21 -1.20 2.28 6.46 -1.13 -0.98 115.31 120.82 1t0y h LEU 31 Ca -0.08 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1t0y h LEU 31 Cb 1.31 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 1t0y h LEU 31 CO 0.12 0.27 0.25 0.07 -0.62 0.00 0.00 178.44 178.52 1t0y h LYS 32 N 0.14 0.80 0.00 1.25 2.10 -0.90 0.14 116.57 120.10 1t0y h LYS 32 Ca 0.06 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1t0y h LYS 32 Cb 0.11 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1t0y h LYS 32 CO -0.01 0.64 -0.10 -0.22 -2.00 0.00 0.00 179.45 177.77 1t0y h LYS 33 N 0.80 0.00 0.20 0.07 1.63 -0.92 0.75 116.57 119.11 1t0y h LYS 33 Ca 0.19 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.65 1t0y h LYS 33 Cb 0.12 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1t0y h LYS 33 CO -0.02 0.10 -1.68 0.87 -3.45 0.00 0.00 179.45 175.27 1t0y h LYS 34 N 0.00 0.43 -0.01 1.90 1.79 0.19 -2.93 116.57 117.94 1t0y h LYS 34 Ca -0.00 -0.73 -0.19 0.00 -2.18 0.00 0.00 60.65 57.54 1t0y h LYS 34 Cb 0.40 0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1t0y h LYS 34 CO 0.01 1.35 -0.84 1.25 -1.08 0.00 0.00 179.45 180.14 1t0y h LEU 35 N 0.12 0.28 -1.03 2.94 5.85 -0.51 -2.84 115.31 120.11 1t0y h LEU 35 Ca -0.32 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.30 1t0y h LEU 35 Cb 2.12 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.98 1t0y h LEU 35 CO 0.20 0.99 0.63 -0.33 -0.34 0.00 0.00 178.44 179.60 1t0y h GLU 36 N 0.13 0.97 -0.53 1.25 5.08 0.46 0.63 114.58 122.58 1t0y h GLU 36 Ca -0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1t0y h GLU 36 Cb 1.44 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1t0y h GLU 36 CO 0.13 0.64 0.15 1.25 -1.00 0.00 0.00 179.01 180.18 1t0y h LEU 37 N 1.00 0.73 0.19 1.33 5.85 -1.31 0.52 115.31 123.63 1t0y h LEU 37 Ca 0.49 -0.12 -0.27 0.00 0.84 0.00 0.00 57.88 58.82 1t0y h LEU 37 Cb 0.46 -0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.33 1t0y h LEU 37 CO -0.25 0.70 -1.18 0.58 -0.34 0.00 0.00 178.44 177.96 1t0y h VAL 38 N 0.77 1.38 0.00 1.05 2.07 -1.14 -3.35 116.25 117.02 1t0y h VAL 38 Ca 0.17 -2.60 -0.21 0.00 0.82 0.00 0.00 66.70 64.89 1t0y h VAL 38 Cb 0.25 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 1t0y h VAL 38 CO -0.01 0.76 -1.36 0.58 0.02 0.00 0.00 177.57 177.56 1t0y h VAL 39 N -0.05 0.79 0.00 2.57 2.07 -0.84 -3.48 116.25 117.31 1t0y h VAL 39 Ca -0.20 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 64.91 1t0y h VAL 39 Cb 1.92 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1t0y h VAL 39 CO 0.22 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.87 1t0y n GLY 40 N 1.42 0.66 3.71 2.17 0.00 0.18 -5.06 105.19 108.27 1t0y n GLY 40 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.54 2.02 0.30 2.61 2.01 -1.14 -4.99 115.64 113.90 1t0y s THR 41 Ca 0.00 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1t0y s THR 41 Cb 0.00 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 1t0y s THR 41 CO 0.00 -0.01 -0.05 -0.89 -0.69 0.00 0.00 174.62 172.98 1t0y s THR 42 N -3.08 1.76 0.11 -0.82 2.01 -1.26 -4.68 115.64 109.68 1t0y s THR 42 Ca 0.65 -2.13 -0.21 0.00 0.31 0.00 0.00 61.69 60.31 1t0y s THR 42 Cb -0.17 -2.55 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 1t0y s THR 42 CO 0.56 -0.24 1.75 0.58 -0.69 0.00 0.00 174.62 176.58 1t0y h VAL 43 N 2.18 0.99 0.00 3.82 2.07 -1.96 -2.06 116.25 121.29 1t0y h VAL 43 Ca -0.41 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1t0y h VAL 43 Cb 1.24 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1t0y h VAL 43 CO 0.69 0.02 -0.38 -0.78 0.02 0.00 0.00 177.57 177.13 1t0y h ASP 44 N 0.09 0.00 -0.06 0.57 3.58 -2.02 -2.59 116.42 115.98 1t0y h ASP 44 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1t0y h ASP 44 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1t0y h ASP 44 CO -0.04 0.38 0.00 -1.20 -2.88 0.00 0.00 179.24 175.50 1t0y n SER 45 N -3.41 1.85 -4.25 2.28 7.64 -1.03 -4.81 113.62 111.89 1t0y n SER 45 Ca 0.00 -1.64 -0.36 0.00 1.01 0.00 0.00 58.87 57.88 1t0y n SER 45 Cb 0.56 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.94 2.75 0.02 1.43 -2.45 -0.81 0.10 119.30 118.40 1t0y s MET 46 Ca 0.35 -1.07 -0.08 0.00 -1.25 0.00 0.00 55.69 53.65 1t0y s MET 46 Cb 0.20 -3.25 -0.05 0.00 1.25 0.00 0.00 34.83 32.98 1t0y s MET 46 CO 0.32 -0.53 0.30 1.03 1.05 0.00 0.00 175.02 177.19 1t0y s ARG 47 N 1.37 3.64 -0.18 4.11 0.52 0.36 -4.93 118.95 123.85 1t0y s ARG 47 Ca -0.01 0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 1t0y s ARG 47 Cb -0.18 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.24 1t0y s ARG 47 CO 0.00 0.64 -0.19 0.42 0.02 0.00 0.00 175.30 176.18 1t0y s ILE 48 N -1.29 2.06 0.03 1.52 -1.09 -1.26 -0.69 121.20 120.47 1t0y s ILE 48 Ca 0.28 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1t0y s ILE 48 Cb -0.14 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1t0y s ILE 48 CO 0.16 0.51 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.16 1t0y s GLN 49 N 1.28 2.32 -0.28 2.79 1.11 0.20 0.46 119.66 127.54 1t0y s GLN 49 Ca 0.04 -0.85 -0.07 0.00 0.01 0.00 0.00 55.36 54.49 1t0y s GLN 49 Cb -0.13 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 29.51 1t0y s GLN 49 CO -0.13 0.57 0.07 -1.17 0.01 0.00 0.00 175.29 174.64 1t0y s LEU 50 N -1.50 3.71 -0.22 2.90 0.20 -0.44 -0.19 118.68 123.14 1t0y s LEU 50 Ca 0.17 -0.60 -0.08 0.00 0.69 0.00 0.00 54.13 54.30 1t0y s LEU 50 Cb -0.11 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1t0y s LEU 50 CO 0.07 -0.15 0.10 -0.36 -0.29 0.00 0.00 176.35 175.72 1t0y s PHE 51 N 1.52 3.21 0.00 5.38 0.08 0.43 -0.68 117.98 127.92 1t0y s PHE 51 Ca 0.03 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1t0y s PHE 51 Cb -0.17 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 1t0y s PHE 51 CO 0.02 -0.04 0.00 -3.47 -0.10 0.00 0.00 175.22 171.63 1t0y n ASP 52 N 4.24 0.00 0.11 1.36 -0.08 -1.22 0.29 116.55 121.25 1t0y n ASP 52 Ca -0.16 -0.05 -0.02 0.00 -1.51 0.00 0.00 54.79 53.06 1t0y n ASP 52 Cb 0.52 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.03 1t0y n ASP 52 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1t0y h GLY 53 N 0.00 0.00 -2.98 0.27 0.00 -1.91 -3.41 103.07 95.04 1t0y h GLY 53 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1t0y h GLY 53 CO 0.00 0.00 0.36 -0.35 0.00 0.00 0.00 176.54 176.55 1t0y s ASP 54 N -6.65 7.23 0.33 0.19 -1.08 -1.26 -4.97 116.67 110.46 1t0y s ASP 54 Ca 0.01 1.89 0.03 0.00 -0.52 0.00 0.00 52.55 53.95 1t0y s ASP 54 Cb 0.10 -2.58 0.62 0.00 -1.46 0.00 0.00 42.92 39.60 1t0y s ASP 54 CO 0.77 -0.15 1.93 -0.78 0.52 0.00 0.00 175.17 177.46 1t0y h ASP 55 N 3.06 0.81 -4.33 -0.34 3.58 -1.98 -3.44 116.42 113.77 1t0y h ASP 55 Ca -0.47 0.01 -0.51 0.00 0.42 0.00 0.00 57.03 56.48 1t0y h ASP 55 Cb 1.20 -0.17 0.09 0.00 1.72 0.00 0.00 39.33 42.17 1t0y h ASP 55 CO 0.64 0.51 0.37 0.00 -2.88 0.00 0.00 179.24 177.89 1t0y s GLN 56 N -5.81 2.98 -0.05 0.28 -2.07 -1.26 -4.71 119.66 109.02 1t0y s GLN 56 Ca -0.11 0.97 -0.30 0.00 -1.82 0.00 0.00 55.36 54.10 1t0y s GLN 56 Cb 0.20 -1.99 -0.03 0.00 -1.09 0.00 0.00 33.01 30.09 1t0y s GLN 56 CO 0.79 -1.07 1.11 -1.17 -1.32 0.00 0.00 175.29 173.63 1t0y s LEU 57 N -5.47 4.29 -0.04 2.60 0.20 -1.26 -3.42 118.68 115.58 1t0y s LEU 57 Ca 0.58 1.73 -0.16 0.00 0.69 0.00 0.00 54.13 56.98 1t0y s LEU 57 Cb -0.14 -3.56 -0.32 0.00 -0.43 0.00 0.00 46.19 41.74 1t0y s LEU 57 CO 0.54 -0.48 0.79 0.11 -0.29 0.00 0.00 176.35 177.02 1t0y h LYS 58 N 7.17 0.39 0.00 1.98 1.79 -1.28 -3.49 116.57 123.12 1t0y h LYS 58 Ca -0.35 -0.67 0.00 0.00 -2.18 0.00 0.00 60.65 57.45 1t0y h LYS 58 Cb 1.17 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1t0y h LYS 58 CO 0.85 1.32 0.00 0.41 -1.08 0.00 0.00 179.45 180.95 1t0y n GLY 59 N 1.75 -1.33 3.41 3.86 0.00 -1.25 -5.03 105.19 106.60 1t0y n GLY 59 Ca -0.20 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.56 3.51 0.00 1.61 2.12 -1.26 -1.32 118.70 121.80 1t0y s GLU 60 Ca 0.00 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1t0y s GLU 60 Cb 0.00 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.52 1t0y s GLU 60 CO 0.00 0.11 0.00 1.28 -0.54 0.00 0.00 175.26 176.11 1t0y n LEU 61 N 3.90 0.00 0.00 2.70 4.32 0.17 -4.93 117.00 123.17 1t0y n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1t0y n LEU 61 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1t0y n LEU 61 CO 0.31 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.55 1t0y n THR 62 N 0.00 0.00 -2.89 -5.08 5.66 -1.26 -4.48 114.28 106.23 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 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 6.52 0.00 1.09 1.01 -1.26 -4.79 116.67 116.96 1t0y s ASP 63 Ca 0.00 0.21 0.17 0.00 0.71 0.00 0.00 52.55 53.64 1t0y s ASP 63 Cb 0.00 -2.42 0.37 0.00 1.01 0.00 0.00 42.92 41.88 1t0y s ASP 63 CO 0.00 -0.89 1.29 0.61 0.21 0.00 0.00 175.17 176.39 1t0y n GLY 64 N 4.73 1.92 0.00 0.21 0.00 -1.26 -4.11 105.19 106.69 1t0y n GLY 64 Ca 0.04 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 1.03 2.26 -2.20 4.61 0.00 -1.26 -4.22 120.51 120.73 1t0y n ALA 65 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1t0y n ALA 65 Cb 0.49 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.60 1.03 0.67 0.00 -2.85 -1.26 -5.09 119.74 109.65 1t0y s LYS 66 Ca 0.23 -1.49 -0.07 0.00 -1.00 0.00 0.00 55.97 53.64 1t0y s LYS 66 Cb 0.17 -0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.90 1t0y s LYS 66 CO 0.39 -0.17 0.99 -1.12 0.10 0.00 0.00 175.35 175.54 1t0y s SER 67 N -3.12 5.08 0.42 0.03 0.01 -1.26 -3.43 113.70 111.43 1t0y s SER 67 Ca 0.23 0.59 0.10 0.00 1.31 0.00 0.00 55.95 58.19 1t0y s SER 67 Cb 0.07 -1.35 0.88 0.00 0.21 0.00 0.00 66.02 65.83 1t0y s SER 67 CO 0.03 -1.43 1.98 -0.07 0.41 0.00 0.00 173.24 174.16 1t0y h LEU 68 N -0.50 0.23 -0.14 2.44 4.07 -1.47 0.12 115.31 120.07 1t0y h LEU 68 Ca -0.45 -0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.32 1t0y h LEU 68 Cb 1.29 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 42.98 1t0y h LEU 68 CO 0.61 0.31 -0.55 0.50 -1.08 0.00 0.00 178.44 178.23 1t0y h LYS 69 N 0.25 0.62 0.00 1.13 3.64 -1.51 -1.16 116.57 119.53 1t0y h LYS 69 Ca 0.06 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1t0y h LYS 69 Cb 0.23 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1t0y h LYS 69 CO 0.01 1.10 -0.21 0.22 -2.27 0.00 0.00 179.45 178.30 1t0y h ASP 70 N 0.27 0.00 0.94 4.20 1.82 -1.64 -0.10 116.42 121.91 1t0y h ASP 70 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1t0y h ASP 70 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1t0y h ASP 70 CO 0.11 0.21 0.00 0.18 -1.61 0.00 0.00 179.24 178.13 1t0y n LEU 71 N -3.64 0.56 -0.22 2.28 4.77 0.37 -4.90 117.00 116.22 1t0y n LEU 71 Ca -0.01 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1t0y n LEU 71 Cb 0.34 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1t0y n LEU 71 CO 0.33 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1t0y n GLY 72 N 0.52 0.74 3.30 -0.72 0.00 -0.05 -5.05 105.19 103.93 1t0y n GLY 72 Ca 0.04 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.44 3.45 0.52 1.61 1.01 -0.46 -5.04 120.40 119.05 1t0y s VAL 73 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1t0y s VAL 73 Cb 0.00 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1t0y s VAL 73 CO 0.00 0.31 0.72 -0.13 0.00 0.00 0.00 175.10 176.01 1t0y s ARG 74 N 1.46 2.51 0.67 2.72 0.52 -1.26 -4.25 118.95 121.32 1t0y s ARG 74 Ca 0.04 -1.16 -0.14 0.00 -0.52 0.00 0.00 55.73 53.96 1t0y s ARG 74 Cb -0.15 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1t0y s ARG 74 CO -0.02 -0.66 1.08 0.16 0.02 0.00 0.00 175.30 175.89 1t0y s ASP 75 N -4.48 5.22 0.00 0.23 -4.77 -1.26 -3.60 116.67 108.01 1t0y s ASP 75 Ca 0.58 1.86 0.00 0.00 -3.30 0.00 0.00 52.55 51.70 1t0y s ASP 75 Cb -0.09 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1t0y s ASP 75 CO 0.37 -1.55 0.00 0.61 0.70 0.00 0.00 175.17 175.30 1t0y n GLY 76 N -0.98 1.17 3.91 2.12 0.00 -0.51 -4.95 105.19 105.95 1t0y n GLY 76 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.93 3.51 -0.24 1.61 2.02 -1.24 -4.69 117.35 115.40 1t0y s TYR 77 Ca 0.00 0.73 -0.08 0.00 -0.37 0.00 0.00 57.07 57.35 1t0y s TYR 77 Cb 0.00 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1t0y s TYR 77 CO 0.00 -0.06 0.09 1.03 -1.57 0.00 0.00 175.55 175.05 1t0y s ARG 78 N -4.18 3.79 -0.27 -0.62 0.52 0.15 -2.57 118.95 115.76 1t0y s ARG 78 Ca 0.46 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.15 1t0y s ARG 78 Cb -0.10 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 1t0y s ARG 78 CO 0.37 -0.08 0.16 0.42 0.02 0.00 0.00 175.30 176.19 1t0y s ILE 79 N 1.35 5.10 -0.15 1.52 -1.09 0.93 -0.43 121.20 128.43 1t0y s ILE 79 Ca 0.06 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1t0y s ILE 79 Cb -0.15 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1t0y s ILE 79 CO 0.05 0.28 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.74 1t0y s HIS 80 N 1.65 3.07 0.03 3.97 5.65 0.74 -0.96 115.29 129.45 1t0y s HIS 80 Ca 0.07 -0.17 0.04 0.00 0.25 0.00 0.00 55.06 55.25 1t0y s HIS 80 Cb -0.16 -1.95 -0.03 0.00 -1.18 0.00 0.00 32.58 29.26 1t0y s HIS 80 CO 0.09 0.07 -0.08 0.00 -0.65 0.00 0.00 174.74 174.16 1t0y s ALA 81 N 0.19 2.97 -0.07 1.58 0.00 0.14 0.58 121.76 127.15 1t0y s ALA 81 Ca -0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1t0y s ALA 81 Cb -0.13 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.96 1t0y s ALA 81 CO 0.02 0.62 0.17 0.54 0.00 0.00 0.00 175.76 177.11 1t0y s VAL 82 N -1.04 -0.00 0.03 0.00 0.11 0.13 -2.74 120.40 116.89 1t0y s VAL 82 Ca 0.18 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.96 1t0y s VAL 82 Cb -0.11 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 1t0y s VAL 82 CO 0.09 0.01 0.93 -0.62 -3.33 0.00 0.00 175.10 172.18 1t0y s ASP 83 N 0.21 7.37 -0.02 3.54 -1.08 -1.26 -0.48 116.67 124.94 1t0y s ASP 83 Ca -0.01 1.65 -0.04 0.00 -0.52 0.00 0.00 52.55 53.63 1t0y s ASP 83 Cb -0.02 -2.55 -0.28 0.00 -1.46 0.00 0.00 42.92 38.61 1t0y s ASP 83 CO -0.01 -0.16 0.75 0.58 0.52 0.00 0.00 175.17 176.85 1t0y h VAL 84 N 4.49 1.03 0.00 1.11 2.07 -0.67 -3.17 116.25 121.10 1t0y h VAL 84 Ca -0.42 -2.68 -0.04 0.00 0.82 0.00 0.00 66.70 64.39 1t0y h VAL 84 Cb 1.21 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 1t0y h VAL 84 CO 0.74 0.81 -0.17 0.71 0.02 0.00 0.00 177.57 179.68 1t0y h THR 85 N 0.07 0.76 -0.01 2.57 1.35 -1.93 -0.18 112.91 115.54 1t0y h THR 85 Ca -0.29 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1t0y h THR 85 Cb 2.04 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1t0y h THR 85 CO 0.15 0.17 -0.16 0.61 -0.25 0.00 0.00 175.52 176.03 1t0y n GLY 86 N -0.68 -0.67 3.21 5.82 0.00 -1.26 -4.94 105.19 106.66 1t0y n GLY 86 Ca -0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 1.29 -0.30 3.69 -0.02 0.00 -0.08 -4.97 105.19 104.80 1t0y n GLY 87 Ca 0.14 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.96 6.55 -1.41 1.61 -0.87 -1.20 -4.53 114.94 111.14 1t0y s ASN 88 Ca 0.14 0.66 -0.11 0.00 -1.57 0.00 0.00 52.86 51.97 1t0y s ASN 88 Cb -0.06 -2.27 0.01 0.00 -0.02 0.00 0.00 41.25 38.92 1t0y s ASN 88 CO 0.65 -0.08 0.30 -1.84 -2.57 0.00 0.00 177.10 173.56 1t0y n GLU 89 N 4.27 -1.09 0.00 -0.60 0.28 -1.26 -4.79 120.64 117.45 1t0y n GLU 89 Ca -0.07 0.15 0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1t0y n GLU 89 Cb 0.51 -3.43 0.05 0.00 1.43 0.00 0.00 31.44 30.00 1t0y n GLU 89 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57