#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cae n GLY 18 N 0.00 -3.14 0.37 -5.12 0.00 -1.26 0.17 105.19 96.21 3cae n GLY 18 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3cae n GLY 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cae h LEU 19 N 0.00 0.67 0.67 0.99 5.85 -2.05 -1.55 115.31 119.89 3cae h LEU 19 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3cae h LEU 19 Cb 0.00 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3cae h LEU 19 CO 0.00 0.33 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.97 3cae h GLU 20 N 0.70 -0.94 -0.45 1.25 4.81 -1.98 -1.97 114.58 115.99 3cae h GLU 20 Ca 0.46 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.80 3cae h GLU 20 Cb 0.73 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 3cae h GLU 20 CO -0.22 -0.63 -0.40 0.22 -0.73 0.00 0.00 179.01 177.25 3cae h ASP 21 N -0.98 -1.39 -0.89 1.04 1.82 0.27 0.37 116.42 116.66 3cae h ASP 21 Ca -0.09 0.20 0.24 0.00 -0.39 0.00 0.00 57.03 56.99 3cae h ASP 21 Cb 0.78 0.59 -0.15 0.00 0.68 0.00 0.00 39.33 41.23 3cae h ASP 21 CO 0.11 -0.24 0.15 0.11 -1.61 0.00 0.00 179.24 177.76 3cae h LYS 22 N -0.17 0.13 0.07 0.28 1.57 -1.22 0.23 116.57 117.46 3cae h LYS 22 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3cae h LYS 22 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3cae h LYS 22 CO -0.51 0.09 -0.03 0.28 -0.57 0.00 0.00 179.45 178.70 3cae h VAL 23 N 0.13 1.02 -0.94 0.50 2.07 -0.19 0.12 116.25 118.97 3cae h VAL 23 Ca 0.55 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.76 3cae h VAL 23 Cb 1.11 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3cae h VAL 23 CO -0.73 0.08 0.61 0.77 0.02 0.00 0.00 177.57 178.33 3cae h SER 24 N -0.24 1.09 -0.43 0.57 4.64 0.34 0.64 113.55 120.16 3cae h SER 24 Ca -0.01 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3cae h SER 24 Cb 0.20 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3cae h SER 24 CO 0.02 0.80 0.05 0.11 -0.87 0.00 0.00 176.83 176.93 3cae h LYS 25 N 1.28 0.73 -0.27 4.77 1.57 -0.42 0.43 116.57 124.67 3cae h LYS 25 Ca 0.34 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3cae h LYS 25 Cb -0.13 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 3cae h LYS 25 CO -0.07 0.78 -0.13 0.37 -0.57 0.00 0.00 179.45 179.82 3cae h GLN 26 N 0.58 -0.09 -0.64 3.15 4.15 0.30 0.41 115.11 122.97 3cae h GLN 26 Ca 0.13 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.61 3cae h GLN 26 Cb 0.41 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3cae h GLN 26 CO 0.01 -0.06 0.35 -0.07 -1.93 0.00 0.00 178.83 177.13 3cae h LEU 27 N -0.09 0.51 -0.67 -2.39 3.38 -0.45 -2.11 115.31 113.48 3cae h LEU 27 Ca 0.14 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3cae h LEU 27 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3cae h LEU 27 CO -0.33 0.33 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 3cae h GLU 28 N 0.65 1.03 -0.78 1.13 5.08 0.12 -0.58 114.58 121.23 3cae h GLU 28 Ca 0.29 -0.32 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3cae h GLU 28 Cb 0.18 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3cae h GLU 28 CO -0.18 1.01 0.51 0.66 -1.00 0.00 0.00 179.01 180.00 3cae h SER 29 N 0.94 0.67 -0.21 1.42 4.64 0.44 0.35 113.55 121.81 3cae h SER 29 Ca 0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3cae h SER 29 Cb 0.54 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3cae h SER 29 CO 0.03 0.41 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 3cae n LYS 30 N -4.50 1.79 -1.57 4.77 5.02 -0.99 -4.92 118.16 117.76 3cae n LYS 30 Ca 0.12 -1.19 -0.16 0.00 -2.02 0.00 0.00 58.31 55.06 3cae n LYS 30 Cb 0.29 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 3cae n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cae n GLY 31 N 1.14 1.41 3.70 0.72 0.00 0.12 -4.95 105.19 107.34 3cae n GLY 31 Ca 0.16 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3cae n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cae s ILE 32 N -2.63 4.05 -0.43 -0.61 -1.09 -0.26 -4.98 121.20 115.24 3cae s ILE 32 Ca 0.00 1.43 -0.21 0.00 -2.23 0.00 0.00 60.65 59.64 3cae s ILE 32 Cb 0.00 -3.92 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3cae s ILE 32 CO 0.00 0.04 0.65 -0.75 -1.23 0.00 0.00 174.94 173.65 3cae s LYS 33 N 1.78 3.35 0.50 2.79 2.20 -1.26 -4.46 119.74 124.64 3cae s LYS 33 Ca 0.59 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 3cae s LYS 33 Cb -0.28 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.10 3cae s LYS 33 CO 0.26 -0.97 0.09 -0.59 -0.36 0.00 0.00 175.35 173.78 3cae s PHE 34 N 2.83 1.95 -0.16 4.03 -0.12 -1.26 -5.13 117.98 120.12 3cae s PHE 34 Ca 0.23 -0.87 -0.02 0.00 -0.05 0.00 0.00 56.93 56.22 3cae s PHE 34 Cb -0.14 -1.72 -0.01 0.00 -0.63 0.00 0.00 43.02 40.52 3cae s PHE 34 CO 0.19 0.12 -0.10 -1.21 -0.05 0.00 0.00 175.22 174.17 3cae s GLU 35 N -3.94 3.40 -0.69 1.99 2.02 -1.26 -5.08 118.70 115.14 3cae s GLU 35 Ca 0.17 -0.65 -0.16 0.00 0.02 0.00 0.00 54.97 54.35 3cae s GLU 35 Cb 0.02 -2.77 0.16 0.00 0.10 0.00 0.00 34.13 31.64 3cae s GLU 35 CO 0.10 0.08 0.70 -0.47 0.02 0.00 0.00 175.26 175.69 3cae s TYR 36 N 0.71 3.38 -1.38 1.61 5.04 -1.26 -4.50 117.35 120.95 3cae s TYR 36 Ca -0.05 -1.50 -0.07 0.00 -2.44 0.00 0.00 57.07 53.02 3cae s TYR 36 Cb -0.15 -3.89 0.01 0.00 0.35 0.00 0.00 41.96 38.27 3cae s TYR 36 CO 0.02 -1.11 0.88 0.39 -1.34 0.00 0.00 175.55 174.39 3cae n GLU 37 N 5.10 -6.27 0.08 4.97 1.02 -1.26 -4.92 120.64 119.36 3cae n GLU 37 Ca 0.01 0.83 -0.20 0.00 -0.02 0.00 0.00 57.16 57.78 3cae n GLU 37 Cb 0.44 -5.69 -0.11 0.00 -0.02 0.00 0.00 31.44 26.06 3cae n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3cae h GLU 38 N -2.01 0.57 -6.82 3.49 4.57 -2.01 -3.46 114.58 108.90 3cae h GLU 38 Ca -0.53 -0.72 -0.69 0.00 -1.18 0.00 0.00 59.36 56.24 3cae h GLU 38 Cb 1.35 0.23 -0.23 0.00 -0.16 0.00 0.00 28.75 29.94 3cae h GLU 38 CO 0.54 1.31 -0.86 -1.58 -1.18 0.00 0.00 179.01 177.24 3cae s TRP 39 N -3.05 2.35 -0.10 0.92 0.52 -1.26 -5.13 118.94 113.19 3cae s TRP 39 Ca -0.08 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 3cae s TRP 39 Cb 0.06 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 3cae s TRP 39 CO 0.92 0.27 0.02 0.15 0.02 0.00 0.00 176.95 178.33 3cae s LYS 40 N -1.78 3.13 -0.31 4.98 1.02 -1.26 -5.10 119.74 120.42 3cae s LYS 40 Ca 0.14 -0.39 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 3cae s LYS 40 Cb -0.10 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3cae s LYS 40 CO 0.05 0.65 0.21 0.08 -0.92 0.00 0.00 175.35 175.42 3cae s VAL 41 N -0.73 5.20 0.31 3.17 1.01 -1.26 -5.07 120.40 123.02 3cae s VAL 41 Ca 0.12 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 3cae s VAL 41 Cb -0.12 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3cae s VAL 41 CO 0.02 0.10 1.01 -2.84 0.00 0.00 0.00 175.10 173.40 3cae s PRO 42 N 1.72 4.56 0.11 2.72 0.02 -1.26 -5.05 135.00 137.83 3cae s PRO 42 Ca 0.06 1.55 -0.23 0.00 0.02 0.00 0.00 61.00 62.40 3cae s PRO 42 Cb -0.17 -2.96 0.06 0.00 0.02 0.00 0.00 34.50 31.46 3cae s PRO 42 CO 0.10 0.21 0.57 1.52 -0.33 0.00 0.00 177.00 179.07 3cae s TYR 43 N -1.40 -0.48 -0.09 6.54 -0.85 -1.26 -5.15 117.35 114.66 3cae s TYR 43 Ca 0.48 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.42 3cae s TYR 43 Cb -0.25 0.46 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 3cae s TYR 43 CO 0.32 -0.77 -0.08 -1.54 -1.52 0.00 0.00 175.55 171.96 3cae s SER 44 N -2.45 4.55 -0.36 -0.18 1.04 -1.26 -5.07 113.70 109.97 3cae s SER 44 Ca -0.01 -0.09 -0.22 0.00 0.48 0.00 0.00 55.95 56.11 3cae s SER 44 Cb -0.00 -1.29 0.01 0.00 0.10 0.00 0.00 66.02 64.83 3cae s SER 44 CO -0.08 0.31 0.72 0.21 0.98 0.00 0.00 173.24 175.38 3cae s ASN 45 N -0.47 6.50 -0.76 7.02 3.84 -1.26 -4.97 114.94 124.83 3cae s ASN 45 Ca 0.07 0.25 -0.26 0.00 0.21 0.00 0.00 52.86 53.13 3cae s ASN 45 Cb -0.12 -2.37 0.01 0.00 -0.55 0.00 0.00 41.25 38.22 3cae s ASN 45 CO 0.02 -0.69 1.53 0.54 -2.79 0.00 0.00 177.10 175.71 3cae s ASN 46 N 1.83 5.88 0.10 -4.21 4.22 -1.26 -4.95 114.94 116.55 3cae s ASN 46 Ca 0.28 -0.41 -0.17 0.00 -2.14 0.00 0.00 52.86 50.42 3cae s ASN 46 Cb -0.14 -2.55 -0.07 0.00 1.28 0.00 0.00 41.25 39.77 3cae s ASN 46 CO 0.16 -2.02 0.56 -1.10 -2.04 0.00 0.00 177.10 172.66 3cae s GLN 47 N 6.09 4.11 -0.39 3.55 -0.21 -1.26 -5.04 119.66 126.52 3cae s GLN 47 Ca 0.49 0.64 -0.06 0.00 0.02 0.00 0.00 55.36 56.45 3cae s GLN 47 Cb -0.08 -3.12 0.08 0.00 1.00 0.00 0.00 33.01 30.89 3cae s GLN 47 CO 0.11 0.58 0.18 -0.65 -2.12 0.00 0.00 175.29 173.39 3cae s GLN 48 N -1.42 2.41 0.08 2.91 -0.21 -1.26 -5.07 119.66 117.09 3cae s GLN 48 Ca 0.32 -1.49 -0.07 0.00 0.02 0.00 0.00 55.36 54.13 3cae s GLN 48 Cb -0.18 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.19 3cae s GLN 48 CO 0.19 -0.90 0.35 1.21 -2.12 0.00 0.00 175.29 174.03 3cae s ASN 49 N 1.80 6.55 -0.38 5.90 3.84 -1.26 -5.05 114.94 126.35 3cae s ASN 49 Ca 0.02 0.66 0.02 0.00 0.21 0.00 0.00 52.86 53.78 3cae s ASN 49 Cb -0.22 -2.13 0.11 0.00 -0.55 0.00 0.00 41.25 38.47 3cae s ASN 49 CO -0.00 0.16 0.13 -0.31 -2.79 0.00 0.00 177.10 174.29 3cae s TYR 50 N -1.44 2.83 0.47 0.43 1.51 -1.26 -5.10 117.35 114.79 3cae s TYR 50 Ca 0.34 -2.60 -0.03 0.00 -1.01 0.00 0.00 57.07 53.77 3cae s TYR 50 Cb -0.13 -2.42 -0.02 0.00 -0.11 0.00 0.00 41.96 39.28 3cae s TYR 50 CO 0.19 -0.87 0.74 -1.12 -1.11 0.00 0.00 175.55 173.38 3cae s SER 51 N 0.80 6.00 0.04 2.29 0.01 -1.26 -5.09 113.70 116.49 3cae s SER 51 Ca 0.13 0.61 0.07 0.00 1.31 0.00 0.00 55.95 58.07 3cae s SER 51 Cb -0.21 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3cae s SER 51 CO -0.10 -0.67 -0.19 -0.94 0.41 0.00 0.00 173.24 171.75 3cae s SER 52 N -4.17 2.29 0.31 2.44 1.04 -1.26 -5.13 113.70 109.22 3cae s SER 52 Ca 0.48 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 3cae s SER 52 Cb -0.10 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 3cae s SER 52 CO 0.41 0.14 0.37 -1.00 0.98 0.00 0.00 173.24 174.14 3cae s HIS 53 N -0.78 1.20 0.19 5.02 3.76 -1.26 -5.18 115.29 118.24 3cae s HIS 53 Ca 0.06 -1.35 0.10 0.00 -0.15 0.00 0.00 55.06 53.72 3cae s HIS 53 Cb -0.08 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 3cae s HIS 53 CO 0.01 -0.98 -0.17 0.95 -0.85 0.00 0.00 174.74 173.70 3cae s THR 54 N -3.41 2.73 -0.11 1.30 -4.23 -1.26 -5.13 115.64 105.53 3cae s THR 54 Ca 0.34 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3cae s THR 54 Cb 0.01 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3cae s THR 54 CO 0.20 -0.14 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.56 3cae s TYR 55 N -1.75 1.73 -0.43 3.99 5.04 -1.26 -5.11 117.35 119.55 3cae s TYR 55 Ca 0.23 -0.84 -0.06 0.00 -2.44 0.00 0.00 57.07 53.96 3cae s TYR 55 Cb -0.08 -1.32 0.11 0.00 0.35 0.00 0.00 41.96 41.02 3cae s TYR 55 CO 0.13 -0.49 0.27 0.99 -1.34 0.00 0.00 175.55 175.10 3cae s THR 56 N 1.29 3.78 0.56 4.34 2.01 -1.26 -5.08 115.64 121.29 3cae s THR 56 Ca -0.02 -1.85 -0.21 0.00 0.31 0.00 0.00 61.69 59.92 3cae s THR 56 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3cae s THR 56 CO -0.05 -0.69 1.34 -2.84 -0.69 0.00 0.00 174.62 171.69 3cae s PRO 57 N 1.27 3.04 0.09 4.92 0.02 -1.26 -4.94 135.00 138.14 3cae s PRO 57 Ca 0.06 2.19 -0.20 0.00 0.02 0.00 0.00 61.00 63.08 3cae s PRO 57 Cb -0.24 -2.18 -0.08 0.00 0.02 0.00 0.00 34.50 32.02 3cae s PRO 57 CO -0.02 -1.26 1.63 -0.44 -0.33 0.00 0.00 177.00 176.59 3cae h ASP 58 N 1.29 0.29 -4.64 2.53 3.32 -1.71 -3.46 116.42 114.05 3cae h ASP 58 Ca -0.51 -0.17 -0.32 0.00 0.02 0.00 0.00 57.03 56.06 3cae h ASP 58 Cb 1.31 -0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.56 3cae h ASP 58 CO 0.56 0.38 -0.75 -0.36 -1.72 0.00 0.00 179.24 177.36 3cae s PHE 59 N -5.54 0.82 -0.24 4.55 0.40 -0.36 -5.00 117.98 112.61 3cae s PHE 59 Ca -0.14 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 3cae s PHE 59 Cb 0.07 -0.48 0.06 0.00 0.51 0.00 0.00 43.02 43.18 3cae s PHE 59 CO 0.71 -0.04 -0.07 -1.17 0.70 0.00 0.00 175.22 175.35 3cae s LEU 60 N -1.55 2.85 0.53 -0.37 2.96 -1.26 -0.89 118.68 120.94 3cae s LEU 60 Ca -0.07 -1.25 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 3cae s LEU 60 Cb -0.10 -1.30 -0.07 0.00 0.50 0.00 0.00 46.19 45.23 3cae s LEU 60 CO 0.01 -0.22 1.03 -0.76 -1.32 0.00 0.00 176.35 175.09 3cae s LEU 61 N 1.30 3.68 0.45 -0.68 1.43 -0.11 -4.94 118.68 119.82 3cae s LEU 61 Ca -0.07 1.81 0.25 0.00 -1.03 0.00 0.00 54.13 55.09 3cae s LEU 61 Cb -0.19 -4.54 1.36 0.00 0.03 0.00 0.00 46.19 42.85 3cae s LEU 61 CO -0.06 -0.87 1.74 -0.65 0.23 0.00 0.00 176.35 176.74 3cae h PRO 62 N 1.04 0.00 -0.01 1.29 0.11 -1.96 0.11 132.00 132.58 3cae h PRO 62 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3cae h PRO 62 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cae h PRO 62 CO 0.59 0.00 -0.40 0.27 -0.21 0.00 0.00 178.00 178.25 3cae n ASN 63 N -2.47 1.19 0.00 -2.05 0.23 -1.26 -4.84 115.26 106.06 3cae n ASN 63 Ca -0.02 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.07 3cae n ASN 63 Cb 0.19 0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3cae n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cae n GLY 64 N 1.39 0.61 3.71 4.83 0.00 0.36 0.44 105.19 116.55 3cae n GLY 64 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3cae n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cae s ILE 65 N -2.00 4.57 -0.08 -0.61 1.01 -1.25 -4.59 121.20 118.24 3cae s ILE 65 Ca 0.00 1.88 -0.10 0.00 0.00 0.00 0.00 60.65 62.43 3cae s ILE 65 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3cae s ILE 65 CO 0.00 0.17 0.24 -0.36 0.00 0.00 0.00 174.94 174.98 3cae s PHE 66 N 0.88 3.63 -0.01 3.97 0.40 0.46 -0.93 117.98 126.37 3cae s PHE 66 Ca 0.53 0.68 0.03 0.00 -0.60 0.00 0.00 56.93 57.58 3cae s PHE 66 Cb -0.24 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 3cae s PHE 66 CO 0.29 0.67 -0.12 0.08 0.70 0.00 0.00 175.22 176.84 3cae s VAL 67 N -0.93 0.95 -0.13 -0.44 1.01 -0.07 -0.59 120.40 120.20 3cae s VAL 67 Ca 0.18 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3cae s VAL 67 Cb -0.14 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3cae s VAL 67 CO 0.07 0.27 -0.17 -0.70 0.00 0.00 0.00 175.10 174.58 3cae s GLU 68 N -0.17 2.47 0.46 2.72 2.56 0.37 -1.23 118.70 125.88 3cae s GLU 68 Ca 0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 54.97 54.19 3cae s GLU 68 Cb -0.06 -2.11 -0.09 0.00 2.00 0.00 0.00 34.13 33.87 3cae s GLU 68 CO -0.00 -0.11 0.92 0.95 -0.56 0.00 0.00 175.26 176.46 3cae s THR 69 N 1.11 4.54 -0.28 -1.70 -4.23 -1.26 -1.48 115.64 112.33 3cae s THR 69 Ca -0.03 1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.63 3cae s THR 69 Cb -0.14 -3.68 0.16 0.00 1.34 0.00 0.00 72.50 70.18 3cae s THR 69 CO -0.05 -0.53 0.56 -0.75 -0.54 0.00 0.00 174.62 173.32 3cae s LYS 70 N -3.71 0.52 0.00 3.99 2.47 -0.31 -4.86 119.74 117.84 3cae s LYS 70 Ca 0.58 1.03 0.00 0.00 -1.56 0.00 0.00 55.97 56.02 3cae s LYS 70 Cb -0.10 0.45 0.00 0.00 -1.46 0.00 0.00 37.83 36.72 3cae s LYS 70 CO 0.25 -0.52 0.02 0.41 0.16 0.00 0.00 175.35 175.67 3cae n GLY 71 N 5.42 1.08 3.73 5.54 0.00 -1.26 -2.72 105.19 116.98 3cae n GLY 71 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3cae n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cae s LEU 72 N -1.75 4.27 -0.30 0.99 2.96 -1.26 -4.45 118.68 119.15 3cae s LEU 72 Ca 0.00 0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 54.57 3cae s LEU 72 Cb 0.00 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.14 3cae s LEU 72 CO 0.00 0.05 0.05 0.86 -1.32 0.00 0.00 176.35 175.98 3cae s TRP 73 N 0.51 3.17 0.86 5.38 -0.00 -1.26 -5.10 118.94 122.51 3cae s TRP 73 Ca 0.23 -1.33 -0.11 0.00 -0.00 0.00 0.00 56.10 54.89 3cae s TRP 73 Cb -0.14 -2.20 0.16 0.00 -0.00 0.00 0.00 33.47 31.29 3cae s TRP 73 CO 0.08 -0.68 1.20 -1.21 -0.00 0.00 0.00 176.95 176.34 3cae s GLU 74 N 1.41 1.12 -0.01 5.86 0.41 -1.26 -4.96 118.70 121.27 3cae s GLU 74 Ca -0.00 -0.59 -0.24 0.00 -0.41 0.00 0.00 54.97 53.73 3cae s GLU 74 Cb -0.18 -2.02 -0.19 0.00 -1.78 0.00 0.00 34.13 29.96 3cae s GLU 74 CO 0.01 -2.01 1.24 1.03 -0.49 0.00 0.00 175.26 175.04 3cae h SER 75 N -1.21 0.16 -0.05 -0.19 0.87 -1.99 -2.65 113.55 108.49 3cae h SER 75 Ca -0.42 -0.55 0.04 0.00 -1.23 0.00 0.00 61.79 59.63 3cae h SER 75 Cb 1.25 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.12 3cae h SER 75 CO 0.41 0.67 -0.26 0.44 -0.53 0.00 0.00 176.83 177.57 3cae h ASP 76 N -0.36 -0.77 -0.82 6.23 3.32 -2.00 -1.31 116.42 120.71 3cae h ASP 76 Ca 0.00 0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.36 3cae h ASP 76 Cb 0.64 0.32 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 3cae h ASP 76 CO 0.02 -0.32 0.01 -0.78 -1.72 0.00 0.00 179.24 176.45 3cae h ASP 77 N -0.37 -0.37 0.85 6.45 -0.00 -1.95 0.14 116.42 121.17 3cae h ASP 77 Ca 0.08 0.21 -0.04 0.00 -0.00 0.00 0.00 57.03 57.28 3cae h ASP 77 Cb 0.48 0.38 0.01 0.00 -0.00 0.00 0.00 39.33 40.19 3cae h ASP 77 CO -0.26 -0.21 -0.41 0.03 -0.00 0.00 0.00 179.24 178.39 3cae h ARG 78 N 0.09 -1.10 -0.66 0.28 3.08 -0.89 -0.08 114.38 115.10 3cae h ARG 78 Ca 0.46 0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.72 3cae h ARG 78 Cb 0.84 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 3cae h ARG 78 CO -0.73 -0.73 0.09 0.87 -1.07 0.00 0.00 179.97 178.40 3cae h LYS 79 N -1.24 0.19 -0.14 0.04 1.57 -0.54 0.39 116.57 116.84 3cae h LYS 79 Ca -0.12 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3cae h LYS 79 Cb 0.89 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 3cae h LYS 79 CO 0.19 0.13 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.87 3cae h LYS 80 N 0.20 -0.11 -0.28 3.15 3.64 -0.64 0.99 116.57 123.51 3cae h LYS 80 Ca 0.36 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 3cae h LYS 80 Cb 0.58 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3cae h LYS 80 CO -0.50 -0.07 0.20 1.25 -2.27 0.00 0.00 179.45 178.05 3cae h HIS 81 N -0.11 0.11 0.02 1.91 2.76 0.99 -1.78 115.15 119.06 3cae h HIS 81 Ca 0.09 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.04 3cae h HIS 81 Cb 0.25 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 3cae h HIS 81 CO -0.24 0.06 -0.96 -0.07 -1.30 0.00 0.00 177.93 175.42 3cae h LEU 82 N 0.11 0.39 -0.15 0.26 3.38 0.35 -2.71 115.31 116.94 3cae h LEU 82 Ca 0.13 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3cae h LEU 82 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3cae h LEU 82 CO -0.02 1.15 0.07 -0.07 0.09 0.00 0.00 178.44 179.66 3cae h LEU 83 N 0.15 0.21 -0.87 1.67 3.38 -0.02 -2.86 115.31 116.96 3cae h LEU 83 Ca -0.07 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.79 3cae h LEU 83 Cb 1.62 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.26 3cae h LEU 83 CO 0.16 0.30 0.56 0.40 0.09 0.00 0.00 178.44 179.94 3cae h ILE 84 N 0.11 1.11 -0.87 1.22 2.04 -1.51 0.20 117.51 119.80 3cae h ILE 84 Ca 0.05 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3cae h ILE 84 Cb 0.15 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 3cae h ILE 84 CO -0.01 0.19 0.57 0.03 0.00 0.00 0.00 178.15 178.94 3cae h ARG 85 N 1.06 1.02 0.01 2.37 3.08 -1.32 0.42 114.38 121.02 3cae h ARG 85 Ca 0.36 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3cae h ARG 85 Cb 0.06 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3cae h ARG 85 CO -0.13 0.67 -0.00 0.93 -1.07 0.00 0.00 179.97 180.37 3cae h GLU 86 N 1.05 -0.01 0.00 0.04 5.08 -1.06 -3.20 114.58 116.48 3cae h GLU 86 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3cae h GLU 86 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3cae h GLU 86 CO -0.11 0.76 0.00 1.96 -1.00 0.00 0.00 179.01 180.62 3cae h GLN 87 N -0.81 0.00 -1.81 2.33 4.20 -0.55 -3.37 115.11 115.11 3cae h GLN 87 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3cae h GLN 87 Cb 0.77 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.19 3cae h GLN 87 CO 0.00 0.00 -1.05 0.72 -0.67 0.00 0.00 178.83 177.83 3cae n HIS 88 N -2.80 -0.67 -0.04 2.96 8.25 0.15 -4.98 115.22 118.08 3cae n HIS 88 Ca 0.02 -3.38 0.01 0.00 -0.26 0.00 0.00 57.72 54.11 3cae n HIS 88 Cb 0.32 -0.15 0.32 0.00 1.12 0.00 0.00 29.99 31.59 3cae n HIS 88 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3cae h PRO 89 N 4.02 0.63 -0.58 -0.41 0.13 -1.73 -2.91 132.00 131.15 3cae h PRO 89 Ca 0.05 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 65.16 3cae h PRO 89 Cb 0.90 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 3cae h PRO 89 CO 0.45 0.52 0.39 1.05 -0.23 0.00 0.00 178.00 180.17 3cae h GLU 90 N 0.63 0.53 -6.55 0.86 9.09 -1.93 -3.42 114.58 113.78 3cae h GLU 90 Ca 0.15 -0.03 -0.53 0.00 0.05 0.00 0.00 59.36 59.01 3cae h GLU 90 Cb 0.13 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3cae h GLU 90 CO -0.02 0.35 0.48 -0.51 0.05 0.00 0.00 179.01 179.36 3cae s LEU 91 N -9.49 4.43 -0.58 3.06 1.43 -1.10 -5.01 118.68 111.42 3cae s LEU 91 Ca -0.08 1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 54.83 3cae s LEU 91 Cb 0.19 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.96 3cae s LEU 91 CO 0.75 -0.29 0.54 -0.62 0.23 0.00 0.00 176.35 176.95 3cae s ASP 92 N 0.47 6.27 -0.17 2.29 -1.08 -1.26 -5.03 116.67 118.14 3cae s ASP 92 Ca 0.53 -1.91 -0.02 0.00 -0.52 0.00 0.00 52.55 50.62 3cae s ASP 92 Cb -0.27 -2.21 -0.01 0.00 -1.46 0.00 0.00 42.92 38.96 3cae s ASP 92 CO 0.31 -0.82 -0.08 -0.63 0.52 0.00 0.00 175.17 174.48 3cae s ILE 93 N 1.41 3.34 0.10 4.11 1.01 -1.26 -0.40 121.20 129.50 3cae s ILE 93 Ca 0.05 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.24 3cae s ILE 93 Cb -0.27 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3cae s ILE 93 CO 0.01 0.48 -0.20 -0.13 0.00 0.00 0.00 174.94 175.10 3cae s ARG 94 N 0.83 1.09 0.02 2.79 0.52 0.24 -4.68 118.95 119.76 3cae s ARG 94 Ca -0.02 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.05 3cae s ARG 94 Cb -0.15 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 3cae s ARG 94 CO 0.01 0.30 0.07 0.42 0.02 0.00 0.00 175.30 176.13 3cae s ILE 95 N -1.21 4.60 -0.22 1.52 1.01 -1.05 -0.48 121.20 125.37 3cae s ILE 95 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3cae s ILE 95 Cb -0.10 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.30 3cae s ILE 95 CO 0.04 0.29 -0.07 -0.69 0.00 0.00 0.00 174.94 174.51 3cae s VAL 96 N -1.23 1.56 0.23 2.92 1.01 -0.55 -1.45 120.40 122.89 3cae s VAL 96 Ca 0.24 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3cae s VAL 96 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3cae s VAL 96 CO 0.16 -0.00 0.42 -0.36 0.00 0.00 0.00 175.10 175.31 3cae s PHE 97 N 1.40 3.48 0.25 5.22 0.40 0.10 -1.16 117.98 127.69 3cae s PHE 97 Ca -0.04 0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 3cae s PHE 97 Cb -0.18 -1.85 0.32 0.00 0.51 0.00 0.00 43.02 41.83 3cae s PHE 97 CO -0.07 0.34 1.67 0.77 0.70 0.00 0.00 175.22 178.63 3cae h SER 98 N 1.74 0.54 -1.34 1.36 0.02 -1.73 0.25 113.55 114.39 3cae h SER 98 Ca -0.49 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 3cae h SER 98 Cb 1.20 -0.15 -0.24 0.00 0.14 0.00 0.00 62.40 63.35 3cae h SER 98 CO 0.66 0.82 -0.36 -0.55 -1.14 0.00 0.00 176.83 176.26 3cae s SER 99 N -6.82 -0.76 0.07 3.07 0.15 -1.26 -4.30 113.70 103.85 3cae s SER 99 Ca -0.07 0.58 0.24 0.00 0.70 0.00 0.00 55.95 57.40 3cae s SER 99 Cb 0.13 1.76 0.96 0.00 -1.71 0.00 0.00 66.02 67.16 3cae s SER 99 CO 0.80 -0.28 1.75 -1.54 1.20 0.00 0.00 173.24 175.17 3cae n SER 100 N 5.40 0.24 0.00 5.45 3.41 -1.26 -2.51 113.62 124.36 3cae n SER 100 Ca -0.02 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 3cae n SER 100 Cb 0.51 -0.60 0.82 0.00 -0.26 0.00 0.00 64.21 64.68 3cae n SER 100 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cae n ARG 101 N -1.74 0.89 -2.60 4.33 1.74 -1.26 -1.75 116.66 116.27 3cae n ARG 101 Ca 0.05 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 3cae n ARG 101 Cb 0.30 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 3cae n ARG 101 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cae s THR 102 N -2.00 3.83 0.30 0.55 2.01 -1.04 -4.82 115.64 114.47 3cae s THR 102 Ca 0.41 1.46 -0.16 0.00 0.31 0.00 0.00 61.69 63.72 3cae s THR 102 Cb 0.19 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 3cae s THR 102 CO 0.32 0.07 0.73 -0.54 -0.69 0.00 0.00 174.62 174.51 3cae s LYS 103 N -2.29 4.04 0.33 4.92 -0.14 -1.26 0.12 119.74 125.46 3cae s LYS 103 Ca 0.55 0.69 0.05 0.00 -1.36 0.00 0.00 55.97 55.89 3cae s LYS 103 Cb -0.22 -2.51 0.60 0.00 -1.68 0.00 0.00 37.83 34.02 3cae s LYS 103 CO 0.28 0.20 1.85 -0.07 -0.76 0.00 0.00 175.35 176.85 3cae h LEU 104 N 2.45 0.44 -7.76 3.17 3.38 -1.71 -3.45 115.31 111.84 3cae h LEU 104 Ca -0.48 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 3cae h LEU 104 Cb 1.18 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 3cae h LEU 104 CO 0.65 0.56 -0.38 -0.31 0.09 0.00 0.00 178.44 179.05 3cae s TYR 105 N -4.84 0.08 0.10 1.13 1.51 -1.26 -4.99 117.35 109.08 3cae s TYR 105 Ca -0.07 -0.37 -0.35 0.00 -1.01 0.00 0.00 57.07 55.27 3cae s TYR 105 Cb 0.15 -0.04 -0.14 0.00 -0.11 0.00 0.00 41.96 41.82 3cae s TYR 105 CO 0.76 -0.47 1.57 1.17 -1.11 0.00 0.00 175.55 177.48 3cae n LYS 106 N 0.44 1.93 0.00 -0.62 4.81 -1.26 -0.62 118.16 122.85 3cae n LYS 106 Ca -0.18 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 3cae n LYS 106 Cb 0.60 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.20 3cae n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cae n GLY 107 N 3.38 2.99 3.71 3.14 0.00 -1.26 -4.98 105.19 112.17 3cae n GLY 107 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3cae n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cae s SER 108 N -2.70 6.41 0.29 1.61 0.15 0.21 -4.89 113.70 114.78 3cae s SER 108 Ca 0.00 2.82 0.09 0.00 0.70 0.00 0.00 55.95 59.56 3cae s SER 108 Cb 0.00 -2.59 0.43 0.00 -1.71 0.00 0.00 66.02 62.15 3cae s SER 108 CO 0.00 -0.97 1.66 1.55 1.20 0.00 0.00 173.24 176.68 3cae h PRO 109 N 7.21 0.08 -6.63 5.44 0.13 -1.94 -3.45 132.00 132.85 3cae h PRO 109 Ca -0.44 -0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 3cae h PRO 109 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 3cae h PRO 109 CO 0.95 0.59 0.67 0.99 -0.23 0.00 0.00 178.00 180.97 3cae s THR 110 N -3.84 3.27 0.27 1.56 2.01 -1.26 -4.99 115.64 112.66 3cae s THR 110 Ca -0.03 1.00 0.10 0.00 0.31 0.00 0.00 61.69 63.07 3cae s THR 110 Cb 0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3cae s THR 110 CO 0.76 0.12 -0.03 -0.94 -0.69 0.00 0.00 174.62 173.84 3cae s SER 111 N 0.60 4.36 0.09 3.53 1.04 -1.26 -2.02 113.70 120.04 3cae s SER 111 Ca 0.59 -0.73 -0.21 0.00 0.48 0.00 0.00 55.95 56.07 3cae s SER 111 Cb -0.36 -0.73 -0.07 0.00 0.10 0.00 0.00 66.02 64.96 3cae s SER 111 CO 0.35 -0.01 1.36 1.88 0.98 0.00 0.00 173.24 177.80 3cae h TYR 112 N 1.94 -1.17 -0.73 5.02 0.99 -0.29 0.32 116.97 123.05 3cae h TYR 112 Ca -0.43 0.06 0.14 0.00 2.00 0.00 0.00 58.73 60.50 3cae h TYR 112 Cb 1.25 0.56 -0.10 0.00 1.00 0.00 0.00 36.73 39.45 3cae h TYR 112 CO 0.71 -0.30 0.26 0.78 -0.00 0.00 0.00 178.16 179.60 3cae h GLY 113 N -0.19 1.08 0.80 3.88 0.00 -1.61 0.15 103.07 107.17 3cae h GLY 113 Ca 0.06 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.31 3cae h GLY 113 CO -0.46 -0.11 0.30 0.83 0.00 0.00 0.00 176.54 177.10 3cae h GLU 114 N 0.40 0.57 0.01 4.80 5.08 -1.29 0.26 114.58 124.40 3cae h GLU 114 Ca 0.40 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.74 3cae h GLU 114 Cb 0.62 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3cae h GLU 114 CO -0.42 0.38 -0.11 0.35 -1.00 0.00 0.00 179.01 178.21 3cae h PHE 115 N 0.59 -0.28 -0.21 4.33 3.57 0.21 0.42 116.94 125.58 3cae h PHE 115 Ca 0.23 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3cae h PHE 115 Cb 0.08 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3cae h PHE 115 CO -0.08 -0.17 -0.12 0.00 -2.23 0.00 0.00 178.31 175.71 3cae h GLU 117 N 0.32 0.62 0.00 0.00 4.57 0.14 0.65 114.58 120.88 3cae h GLU 117 Ca 0.06 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3cae h GLU 117 Cb 0.41 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3cae h GLU 117 CO 0.02 0.79 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.40 3cae h LYS 118 N 0.40 0.00 -0.15 1.92 3.64 1.00 -2.48 116.57 120.91 3cae h LYS 118 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3cae h LYS 118 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3cae h LYS 118 CO 0.03 0.02 0.00 0.72 -2.27 0.00 0.00 179.45 177.95 3cae n HIS 119 N -3.34 0.19 -2.31 1.91 8.25 -0.50 -5.00 115.22 114.42 3cae n HIS 119 Ca -0.02 -0.34 -0.06 0.00 -0.26 0.00 0.00 57.72 57.03 3cae n HIS 119 Cb 0.13 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3cae n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cae n GLY 120 N 0.20 0.23 3.43 -1.41 0.00 0.75 -5.01 105.19 103.38 3cae n GLY 120 Ca 0.06 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3cae n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cae s ILE 121 N -2.53 5.24 0.32 -0.61 1.01 0.19 -5.01 121.20 119.81 3cae s ILE 121 Ca 0.05 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3cae s ILE 121 Cb -0.02 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 3cae s ILE 121 CO 0.06 -0.45 1.41 -0.54 0.00 0.00 0.00 174.94 175.42 3cae s LYS 122 N 1.69 4.25 0.33 2.79 1.02 -1.26 -4.39 119.74 124.17 3cae s LYS 122 Ca 0.05 2.36 -0.04 0.00 0.02 0.00 0.00 55.97 58.36 3cae s LYS 122 Cb -0.21 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3cae s LYS 122 CO 0.09 -0.38 0.50 1.97 -0.92 0.00 0.00 175.35 176.61 3cae n PHE 123 N 1.26 -1.53 -3.87 3.18 1.16 -1.26 -2.52 117.46 113.88 3cae n PHE 123 Ca 0.03 -2.09 -0.03 0.00 -1.87 0.00 0.00 57.45 53.49 3cae n PHE 123 Cb 0.40 0.57 0.02 0.00 -1.61 0.00 0.00 39.48 38.86 3cae n PHE 123 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3cae s ALA 124 N -2.56 -1.60 -0.04 1.98 0.00 -0.52 -4.96 121.76 114.05 3cae s ALA 124 Ca 0.25 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.95 3cae s ALA 124 Cb -0.02 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3cae s ALA 124 CO 0.18 -1.06 -0.17 -0.51 0.00 0.00 0.00 175.76 174.19 3cae s ASP 125 N -3.38 3.78 0.00 0.00 1.01 -1.26 0.03 116.67 116.86 3cae s ASP 125 Ca 0.21 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.21 3cae s ASP 125 Cb -0.02 -0.73 0.00 0.00 1.01 0.00 0.00 42.92 43.17 3cae s ASP 125 CO 0.05 0.34 0.00 0.29 0.21 0.00 0.00 175.17 176.06 3cae n LYS 126 N 2.36 0.00 -3.94 8.23 5.02 0.87 -4.72 118.16 125.97 3cae n LYS 126 Ca -0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.04 3cae n LYS 126 Cb 0.52 -0.09 -0.09 0.00 -0.02 0.00 0.00 35.03 35.36 3cae n LYS 126 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cae s LEU 127 N 0.00 1.81 -0.16 -0.35 1.02 -1.26 -4.97 118.68 114.78 3cae s LEU 127 Ca 0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 54.13 53.15 3cae s LEU 127 Cb 0.00 0.69 -0.04 0.00 0.02 0.00 0.00 46.19 46.86 3cae s LEU 127 CO 0.00 -0.63 1.67 -0.63 0.02 0.00 0.00 176.35 176.78 3cae s ILE 128 N -3.50 3.60 0.11 -0.59 1.01 -1.26 -4.92 121.20 115.65 3cae s ILE 128 Ca 0.03 0.70 -0.36 0.00 0.00 0.00 0.00 60.65 61.01 3cae s ILE 128 Cb 0.04 -3.56 -0.16 0.00 0.01 0.00 0.00 42.46 38.79 3cae s ILE 128 CO -0.09 -0.19 1.41 -2.65 0.00 0.00 0.00 174.94 173.43 3cae n PRO 129 N 7.54 1.44 0.26 2.79 -0.02 -1.26 -4.79 135.00 140.95 3cae n PRO 129 Ca 0.19 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 3cae n PRO 129 Cb 0.44 -2.20 0.83 0.00 -0.02 0.00 0.00 33.50 32.55 3cae n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cae h ALA 130 N 4.97 1.73 -0.85 3.55 0.00 -2.00 0.59 119.26 127.26 3cae h ALA 130 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3cae h ALA 130 Cb 1.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3cae h ALA 130 CO 0.81 -0.09 0.48 0.93 0.00 0.00 0.00 179.25 181.38 3cae h GLU 131 N 0.00 1.17 0.63 0.00 4.39 -1.98 -1.45 114.58 117.34 3cae h GLU 131 Ca 0.03 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3cae h GLU 131 Cb 0.15 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3cae h GLU 131 CO -0.00 0.85 -0.31 -1.49 -1.16 0.00 0.00 179.01 176.90 3cae h TRP 132 N 1.18 -0.82 -0.27 4.33 4.06 -1.22 -1.93 115.95 121.29 3cae h TRP 132 Ca 0.30 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.31 3cae h TRP 132 Cb 0.01 0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3cae h TRP 132 CO 0.01 -0.50 0.32 0.82 -3.56 0.00 0.00 178.44 175.53 3cae h ILE 133 N -0.86 0.38 0.00 1.49 2.04 -1.39 -0.18 117.51 118.98 3cae h ILE 133 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3cae h ILE 133 Cb 0.67 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3cae h ILE 133 CO 0.13 0.00 -0.48 0.29 0.00 0.00 0.00 178.15 178.09 3cae n LYS 134 N -3.67 0.09 -1.97 2.37 5.02 -0.57 -4.91 118.16 114.52 3cae n LYS 134 Ca 0.04 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 3cae n LYS 134 Cb 0.46 -1.56 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3cae n LYS 134 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3cae s GLU 135 N -3.05 3.50 0.20 1.97 2.02 -0.08 -4.93 118.70 118.32 3cae s GLU 135 Ca 0.10 2.10 -0.32 0.00 0.02 0.00 0.00 54.97 56.87 3cae s GLU 135 Cb 0.16 -2.42 -0.13 0.00 0.10 0.00 0.00 34.13 31.85 3cae s GLU 135 CO 0.69 -0.86 1.66 -0.35 0.02 0.00 0.00 175.26 176.42 3cae n PRO 136 N -0.61 2.56 -1.55 0.39 -0.04 -1.26 -4.85 135.00 129.63 3cae n PRO 136 Ca 0.08 0.92 -0.44 0.00 -0.04 0.00 0.00 63.50 64.02 3cae n PRO 136 Cb 0.45 -2.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.17 3cae n PRO 136 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cae n LYS 137 N 3.61 1.07 -4.12 0.54 4.81 -1.26 -4.95 118.16 117.86 3cae n LYS 137 Ca 0.16 0.38 -0.15 0.00 -0.87 0.00 0.00 58.31 57.82 3cae n LYS 137 Cb 0.33 -1.71 -0.12 0.00 0.02 0.00 0.00 35.03 33.55 3cae n LYS 137 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3cae s LYS 138 N -1.54 0.68 0.66 1.64 -2.85 0.17 -5.01 119.74 113.49 3cae s LYS 138 Ca 0.60 -0.88 -0.16 0.00 -1.00 0.00 0.00 55.97 54.53 3cae s LYS 138 Cb -0.70 -0.52 0.00 0.00 -2.06 0.00 0.00 37.83 34.55 3cae s LYS 138 CO 0.59 0.10 1.18 -1.21 0.10 0.00 0.00 175.35 176.11 3cae s GLU 139 N -1.79 2.60 -0.08 1.78 0.41 -1.26 -4.28 118.70 116.08 3cae s GLU 139 Ca -0.05 1.68 0.01 0.00 -0.41 0.00 0.00 54.97 56.20 3cae s GLU 139 Cb -0.09 -1.90 0.02 0.00 -1.78 0.00 0.00 34.13 30.38 3cae s GLU 139 CO 0.01 -1.46 -0.11 0.08 -0.49 0.00 0.00 175.26 173.29 3cae s VAL 140 N -1.95 1.07 -1.23 2.63 1.01 -1.26 -4.99 120.40 115.68 3cae s VAL 140 Ca 0.73 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 3cae s VAL 140 Cb -0.27 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3cae s VAL 140 CO 0.40 0.35 2.09 -0.81 0.00 0.00 0.00 175.10 177.13 3cae n PRO 141 N 4.14 2.43 0.11 2.72 -0.04 -1.26 -4.77 135.00 138.33 3cae n PRO 141 Ca -0.20 -2.43 0.19 0.00 -0.04 0.00 0.00 63.50 61.02 3cae n PRO 141 Cb 0.51 -3.22 0.76 0.00 -0.04 0.00 0.00 33.50 31.52 3cae n PRO 141 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3cae h PHE 142 N 6.84 0.00 0.35 0.54 -1.00 -1.97 -1.13 116.94 120.57 3cae h PHE 142 Ca 0.50 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.28 3cae h PHE 142 Cb 0.68 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 3cae h PHE 142 CO 1.38 0.00 -0.30 -0.44 -1.61 0.00 0.00 178.31 177.34 3cae h ASP 143 N 0.00 -0.79 0.10 2.17 3.32 -2.02 -0.18 116.42 119.02 3cae h ASP 143 Ca 0.17 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3cae h ASP 143 Cb 0.86 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3cae h ASP 143 CO -0.00 -0.44 0.00 0.54 -1.72 0.00 0.00 179.24 177.62 3cae n ARG 144 N -5.42 0.15 -3.97 3.56 5.12 -0.45 -4.71 116.66 110.94 3cae n ARG 144 Ca -0.10 0.62 -0.24 0.00 -1.93 0.00 0.00 57.85 56.20 3cae n ARG 144 Cb 0.32 -1.96 -0.03 0.00 -1.16 0.00 0.00 32.46 29.63 3cae n ARG 144 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3cae s LEU 145 N -4.56 4.26 0.33 0.55 1.43 -0.08 -5.12 118.68 115.49 3cae s LEU 145 Ca -0.02 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3cae s LEU 145 Cb 0.07 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 3cae s LEU 145 CO 0.23 0.00 0.03 -0.54 0.23 0.00 0.00 176.35 176.30 3cae s LYS 146 N -3.52 2.14 0.48 1.70 1.02 -1.26 -4.93 119.74 115.37 3cae s LYS 146 Ca 0.34 -1.68 0.05 0.00 0.02 0.00 0.00 55.97 54.70 3cae s LYS 146 Cb -0.10 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3cae s LYS 146 CO 0.28 0.16 0.16 -0.98 -0.92 0.00 0.00 175.35 174.05 3cae s ARG 147 N -3.73 2.20 0.00 1.68 1.70 -1.26 -5.15 118.95 114.38 3cae s ARG 147 Ca 0.35 -2.12 0.26 0.00 -0.47 0.00 0.00 55.73 53.75 3cae s ARG 147 Cb -0.01 -1.82 0.62 0.00 -0.57 0.00 0.00 34.95 33.16 3cae s ARG 147 CO 0.20 -0.33 1.50 0.36 -1.08 0.00 0.00 175.30 175.95