#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cae h GLY 18 N 0.00 0.38 0.79 3.03 0.00 -2.05 0.11 103.07 105.34 3cae h GLY 18 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3cae h GLY 18 CO 0.00 0.27 -0.24 -2.00 0.00 0.00 0.00 176.54 174.57 3cae h LEU 19 N 0.32 0.49 -0.03 3.11 5.85 -2.05 -1.44 115.31 121.55 3cae h LEU 19 Ca 0.05 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3cae h LEU 19 Cb 0.60 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3cae h LEU 19 CO 0.04 0.92 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.89 3cae h GLU 20 N 0.07 -0.13 0.21 1.25 4.81 -1.89 -0.31 114.58 118.58 3cae h GLU 20 Ca 0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3cae h GLU 20 Cb 0.81 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3cae h GLU 20 CO 0.06 -0.09 -0.36 0.22 -0.73 0.00 0.00 179.01 178.11 3cae h ASP 21 N -0.14 -1.02 -0.31 1.04 -0.00 -0.78 -2.18 116.42 113.03 3cae h ASP 21 Ca 0.04 0.11 0.07 0.00 -0.00 0.00 0.00 57.03 57.25 3cae h ASP 21 Cb 0.19 0.37 -0.07 0.00 -0.00 0.00 0.00 39.33 39.83 3cae h ASP 21 CO -0.11 -0.46 -0.12 0.11 -0.00 0.00 0.00 179.24 178.66 3cae h LYS 22 N -0.64 -0.06 -0.75 0.28 1.57 -1.06 -0.58 116.57 115.32 3cae h LYS 22 Ca 0.01 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 3cae h LYS 22 Cb 0.64 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 3cae h LYS 22 CO -0.16 -0.04 0.38 0.28 -0.57 0.00 0.00 179.45 179.35 3cae h VAL 23 N -0.06 0.83 -0.31 0.50 2.07 -0.79 -1.20 116.25 117.29 3cae h VAL 23 Ca 0.16 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 3cae h VAL 23 Cb 0.30 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3cae h VAL 23 CO -0.36 0.11 -0.43 0.77 0.02 0.00 0.00 177.57 177.69 3cae h SER 24 N 0.63 0.92 -0.07 0.57 4.64 -1.00 -2.15 113.55 117.10 3cae h SER 24 Ca 0.38 -0.50 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3cae h SER 24 Cb 0.42 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3cae h SER 24 CO -0.29 1.24 -0.26 0.11 -0.87 0.00 0.00 176.83 176.76 3cae h LYS 25 N 0.63 -0.36 -0.70 4.77 1.57 -0.26 0.69 116.57 122.91 3cae h LYS 25 Ca 0.04 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3cae h LYS 25 Cb 1.03 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 3cae h LYS 25 CO 0.10 -0.24 0.46 0.37 -0.57 0.00 0.00 179.45 179.58 3cae h GLN 26 N -0.37 0.75 -0.62 3.15 4.15 -1.25 0.73 115.11 121.65 3cae h GLN 26 Ca 0.08 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3cae h GLN 26 Cb 0.49 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3cae h GLN 26 CO -0.28 0.49 0.19 -0.07 -1.93 0.00 0.00 178.83 177.24 3cae h LEU 27 N 0.77 0.91 0.13 -2.39 3.38 -0.17 -2.70 115.31 115.23 3cae h LEU 27 Ca 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3cae h LEU 27 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3cae h LEU 27 CO -0.09 0.88 -0.06 -0.33 0.09 0.00 0.00 178.44 178.92 3cae h GLU 28 N 0.89 -0.17 -1.01 1.13 5.08 0.23 -0.54 114.58 120.21 3cae h GLU 28 Ca 0.20 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.71 3cae h GLU 28 Cb 0.30 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 3cae h GLU 28 CO -0.01 0.12 0.63 0.66 -1.00 0.00 0.00 179.01 179.41 3cae h SER 29 N -0.45 0.90 0.91 1.42 4.64 -0.95 0.79 113.55 120.82 3cae h SER 29 Ca -0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3cae h SER 29 Cb 0.36 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3cae h SER 29 CO 0.03 0.45 0.00 0.29 -0.87 0.00 0.00 176.83 176.73 3cae n LYS 30 N -4.65 0.05 -2.82 4.77 5.02 -1.02 -4.92 118.16 114.60 3cae n LYS 30 Ca 0.20 0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.55 3cae n LYS 30 Cb 0.40 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.95 0.48 3.66 0.72 0.00 0.27 -5.02 105.19 106.25 3cae n GLY 31 Ca 0.05 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.10 4.97 -1.04 -0.61 -1.09 -0.27 -4.98 121.20 115.08 3cae s ILE 32 Ca 0.17 1.33 -0.22 0.00 -2.23 0.00 0.00 60.65 59.70 3cae s ILE 32 Cb -0.08 -4.01 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 3cae s ILE 32 CO 0.23 0.07 1.43 -0.75 -1.23 0.00 0.00 174.94 174.68 3cae s LYS 33 N 2.11 3.64 0.44 2.79 2.20 -1.26 -4.67 119.74 124.99 3cae s LYS 33 Ca 0.31 -1.32 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 3cae s LYS 33 Cb -0.16 -5.30 0.01 0.00 -1.51 0.00 0.00 37.83 30.87 3cae s LYS 33 CO 0.10 -2.14 0.55 -0.59 -0.36 0.00 0.00 175.35 172.91 3cae s PHE 34 N 4.50 2.55 -0.18 4.03 -0.12 -1.26 -5.11 117.98 122.38 3cae s PHE 34 Ca 0.45 -0.48 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 3cae s PHE 34 Cb -0.00 -2.29 0.01 0.00 -0.63 0.00 0.00 43.02 40.11 3cae s PHE 34 CO -0.08 -0.45 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.26 3cae s GLU 35 N -4.34 3.08 -0.19 1.99 2.02 -1.26 -5.10 118.70 114.89 3cae s GLU 35 Ca 0.53 -0.79 -0.17 0.00 0.02 0.00 0.00 54.97 54.57 3cae s GLU 35 Cb -0.07 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3cae s GLU 35 CO 0.32 -0.18 0.44 -0.47 0.02 0.00 0.00 175.26 175.39 3cae s TYR 36 N 1.27 3.39 -0.91 1.61 5.04 -1.26 -4.48 117.35 122.01 3cae s TYR 36 Ca 0.04 0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 3cae s TYR 36 Cb -0.14 -2.57 0.02 0.00 0.35 0.00 0.00 41.96 39.63 3cae s TYR 36 CO -0.10 -0.02 0.06 0.39 -1.34 0.00 0.00 175.55 174.54 3cae n GLU 37 N 4.49 -0.94 0.01 4.97 1.02 -1.26 -4.80 120.64 124.13 3cae n GLU 37 Ca -0.07 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 3cae n GLU 37 Cb 0.51 -2.13 -0.03 0.00 -0.02 0.00 0.00 31.44 29.78 3cae n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3cae n GLU 38 N -2.93 0.20 -4.19 3.49 4.07 -1.26 -4.95 120.64 115.08 3cae n GLU 38 Ca -0.14 -0.03 -0.16 0.00 -0.06 0.00 0.00 57.16 56.77 3cae n GLU 38 Cb 0.37 -1.54 -0.15 0.00 -0.06 0.00 0.00 31.44 30.06 3cae n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3cae s TRP 39 N -3.15 0.53 -0.05 4.31 0.52 -1.26 -5.14 118.94 114.71 3cae s TRP 39 Ca 0.05 -0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.06 3cae s TRP 39 Cb 0.15 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 32.09 3cae s TRP 39 CO 0.83 -0.02 0.02 0.15 0.02 0.00 0.00 176.95 177.95 3cae s LYS 40 N -0.10 2.95 -0.36 4.98 1.02 -1.26 -5.09 119.74 121.89 3cae s LYS 40 Ca 0.02 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 3cae s LYS 40 Cb -0.03 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3cae s LYS 40 CO -0.00 0.67 0.20 0.08 -0.92 0.00 0.00 175.35 175.38 3cae s VAL 41 N -1.01 4.73 -0.11 3.17 1.01 -1.26 -5.05 120.40 121.89 3cae s VAL 41 Ca 0.17 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3cae s VAL 41 Cb -0.12 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3cae s VAL 41 CO 0.07 -0.13 1.31 -2.84 0.00 0.00 0.00 175.10 173.51 3cae s PRO 42 N 1.60 4.26 0.17 2.72 0.02 -1.26 -5.00 135.00 137.51 3cae s PRO 42 Ca 0.04 1.76 -0.00 0.00 0.02 0.00 0.00 61.00 62.82 3cae s PRO 42 Cb -0.18 -3.72 -0.04 0.00 0.02 0.00 0.00 34.50 30.57 3cae s PRO 42 CO 0.07 -0.65 0.06 1.52 -0.33 0.00 0.00 177.00 177.67 3cae s TYR 43 N 3.15 1.07 -0.17 6.54 -0.85 -1.26 -5.14 117.35 120.69 3cae s TYR 43 Ca 0.58 -1.20 -0.01 0.00 -0.52 0.00 0.00 57.07 55.93 3cae s TYR 43 Cb -0.25 -0.59 0.04 0.00 0.38 0.00 0.00 41.96 41.54 3cae s TYR 43 CO 0.19 -0.44 -0.05 -1.54 -1.52 0.00 0.00 175.55 172.19 3cae s SER 44 N -3.13 2.87 0.12 -0.18 1.04 -1.26 -5.10 113.70 108.06 3cae s SER 44 Ca 0.28 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.88 3cae s SER 44 Cb 0.07 -0.91 -0.07 0.00 0.10 0.00 0.00 66.02 65.22 3cae s SER 44 CO 0.05 -0.19 0.52 0.21 0.98 0.00 0.00 173.24 174.81 3cae s ASN 45 N 1.63 6.81 -0.11 7.02 3.84 -1.26 -5.07 114.94 127.81 3cae s ASN 45 Ca 0.00 1.04 -0.00 0.00 0.21 0.00 0.00 52.86 54.11 3cae s ASN 45 Cb -0.15 -2.27 -0.02 0.00 -0.55 0.00 0.00 41.25 38.25 3cae s ASN 45 CO -0.08 0.14 -0.10 0.54 -2.79 0.00 0.00 177.10 174.81 3cae s ASN 46 N -1.65 4.32 0.55 -4.21 4.22 -1.26 -5.11 114.94 111.80 3cae s ASN 46 Ca 0.36 -0.20 -0.00 0.00 -2.14 0.00 0.00 52.86 50.87 3cae s ASN 46 Cb -0.15 -1.46 0.03 0.00 1.28 0.00 0.00 41.25 40.95 3cae s ASN 46 CO 0.19 0.23 0.79 -1.10 -2.04 0.00 0.00 177.10 175.17 3cae s GLN 47 N -0.02 2.59 -0.06 3.55 1.11 -1.26 -5.10 119.66 120.47 3cae s GLN 47 Ca -0.02 -0.65 0.05 0.00 0.01 0.00 0.00 55.36 54.76 3cae s GLN 47 Cb -0.14 -2.45 -0.01 0.00 -1.01 0.00 0.00 33.01 29.40 3cae s GLN 47 CO 0.03 -0.71 -0.23 -1.14 0.01 0.00 0.00 175.29 173.26 3cae s GLN 48 N -4.80 2.48 0.21 2.91 0.74 -1.26 -5.13 119.66 114.81 3cae s GLN 48 Ca 0.56 -0.82 0.11 0.00 0.05 0.00 0.00 55.36 55.26 3cae s GLN 48 Cb -0.10 -2.05 -0.05 0.00 1.10 0.00 0.00 33.01 31.92 3cae s GLN 48 CO 0.39 0.29 -0.22 -0.80 -0.55 0.00 0.00 175.29 174.41 3cae s ASN 49 N 0.02 3.53 0.02 6.67 0.02 -1.26 -5.14 114.94 118.81 3cae s ASN 49 Ca -0.08 -0.88 0.06 0.00 -1.02 0.00 0.00 52.86 50.94 3cae s ASN 49 Cb -0.14 -0.30 -0.02 0.00 0.02 0.00 0.00 41.25 40.81 3cae s ASN 49 CO 0.05 0.10 -0.17 -0.31 0.02 0.00 0.00 177.10 176.79 3cae s TYR 50 N -1.84 1.49 -0.14 2.20 1.51 -1.26 -5.12 117.35 114.19 3cae s TYR 50 Ca 0.23 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.93 3cae s TYR 50 Cb -0.07 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 3cae s TYR 50 CO 0.11 0.04 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.42 3cae s SER 51 N -0.91 4.77 -0.81 2.29 0.01 -1.26 -5.03 113.70 112.75 3cae s SER 51 Ca 0.05 -0.10 -0.26 0.00 1.31 0.00 0.00 55.95 56.95 3cae s SER 51 Cb -0.08 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.52 3cae s SER 51 CO 0.01 0.21 1.38 -0.94 0.41 0.00 0.00 173.24 174.31 3cae s SER 52 N 0.09 6.17 0.39 2.44 1.04 -1.26 -4.95 113.70 117.62 3cae s SER 52 Ca -0.01 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 55.82 3cae s SER 52 Cb -0.14 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 3cae s SER 52 CO 0.03 -1.81 0.27 -1.00 0.98 0.00 0.00 173.24 171.71 3cae s HIS 53 N 5.86 2.72 -0.00 5.02 3.76 -1.26 -5.14 115.29 126.24 3cae s HIS 53 Ca 0.41 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 3cae s HIS 53 Cb -0.06 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3cae s HIS 53 CO 0.08 0.09 -0.01 0.95 -0.85 0.00 0.00 174.74 175.00 3cae s THR 54 N -2.47 0.09 0.39 1.30 -4.23 -1.26 -5.16 115.64 104.31 3cae s THR 54 Ca 0.43 -0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 3cae s THR 54 Cb -0.02 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.68 3cae s THR 54 CO 0.25 0.04 0.25 -0.47 -0.54 0.00 0.00 174.62 174.15 3cae s TYR 55 N 0.09 2.69 -0.32 3.99 5.04 -1.26 -5.13 117.35 122.45 3cae s TYR 55 Ca -0.01 -0.48 0.03 0.00 -2.44 0.00 0.00 57.07 54.18 3cae s TYR 55 Cb -0.02 -1.94 0.16 0.00 0.35 0.00 0.00 41.96 40.51 3cae s TYR 55 CO -0.00 0.11 0.44 0.99 -1.34 0.00 0.00 175.55 175.75 3cae s THR 56 N -2.49 -0.63 0.96 4.34 2.01 -1.26 -5.09 115.64 113.48 3cae s THR 56 Ca 0.43 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 3cae s THR 56 Cb -0.01 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.73 3cae s THR 56 CO 0.25 -0.30 0.35 -2.65 -0.69 0.00 0.00 174.62 171.58 3cae n PRO 57 N 5.01 -0.33 -0.01 4.92 -0.02 -1.26 -4.95 135.00 138.36 3cae n PRO 57 Ca 0.04 -0.06 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 3cae n PRO 57 Cb 0.50 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3cae n PRO 57 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3cae h ASP 58 N -1.57 -0.09 -3.75 2.55 3.32 -1.85 -3.48 116.42 111.55 3cae h ASP 58 Ca -0.44 -0.33 -0.62 0.00 0.02 0.00 0.00 57.03 55.67 3cae h ASP 58 Cb 1.28 0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.65 3cae h ASP 58 CO 0.34 0.54 -0.83 -0.36 -1.72 0.00 0.00 179.24 177.21 3cae s PHE 59 N -2.32 2.08 -0.39 4.55 0.40 0.10 -4.99 117.98 117.41 3cae s PHE 59 Ca -0.08 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 3cae s PHE 59 Cb -0.01 -1.09 0.11 0.00 0.51 0.00 0.00 43.02 42.55 3cae s PHE 59 CO 0.30 0.34 0.13 -1.17 0.70 0.00 0.00 175.22 175.52 3cae s LEU 60 N -2.27 4.13 0.64 -0.37 2.96 -1.26 -0.79 118.68 121.72 3cae s LEU 60 Ca 0.14 -2.36 -0.17 0.00 -0.22 0.00 0.00 54.13 51.52 3cae s LEU 60 Cb -0.09 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3cae s LEU 60 CO 0.07 -0.33 1.16 -0.76 -1.32 0.00 0.00 176.35 175.16 3cae s LEU 61 N 0.62 3.50 0.41 -0.68 1.43 -0.46 -4.93 118.68 118.58 3cae s LEU 61 Ca 0.13 2.21 0.16 0.00 -1.03 0.00 0.00 54.13 55.60 3cae s LEU 61 Cb -0.21 -4.58 1.04 0.00 0.03 0.00 0.00 46.19 42.47 3cae s LEU 61 CO -0.07 -1.70 1.85 -0.65 0.23 0.00 0.00 176.35 176.01 3cae h PRO 62 N 0.37 0.44 -0.01 1.29 0.11 -1.95 -1.00 132.00 131.25 3cae h PRO 62 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3cae h PRO 62 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cae h PRO 62 CO 0.54 0.29 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 3cae n ASN 63 N -4.53 0.12 0.00 -2.05 0.23 -1.26 -4.80 115.26 102.96 3cae n ASN 63 Ca 0.19 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 3cae n ASN 63 Cb 0.67 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 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 0.75 3.10 3.45 4.83 0.00 -0.38 -1.89 105.19 115.05 3cae n GLY 64 Ca 0.11 -0.88 -0.55 0.00 0.00 0.00 0.00 46.02 44.71 3cae n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cae n ILE 65 N 0.00 0.74 -3.73 -0.61 5.41 -1.26 -4.59 119.36 115.32 3cae n ILE 65 Ca 0.00 -0.19 -0.37 0.00 1.00 0.00 0.00 62.75 63.19 3cae n ILE 65 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 3cae n ILE 65 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3cae s PHE 66 N -0.37 3.12 -0.21 1.39 0.40 0.20 -1.35 117.98 121.16 3cae s PHE 66 Ca 0.81 -0.60 -0.07 0.00 -0.60 0.00 0.00 56.93 56.47 3cae s PHE 66 Cb -1.14 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 40.08 3cae s PHE 66 CO 0.56 -0.44 0.06 0.08 0.70 0.00 0.00 175.22 176.19 3cae s VAL 67 N 1.59 4.53 -0.16 -0.44 1.01 0.03 0.47 120.40 127.42 3cae s VAL 67 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3cae s VAL 67 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3cae s VAL 67 CO 0.04 0.40 -0.12 -0.70 0.00 0.00 0.00 175.10 174.72 3cae s GLU 68 N 0.97 3.32 0.18 2.72 2.56 0.11 0.01 118.70 128.57 3cae s GLU 68 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 54.97 54.15 3cae s GLU 68 Cb -0.14 -2.71 -0.07 0.00 2.00 0.00 0.00 34.13 33.20 3cae s GLU 68 CO 0.03 0.04 0.61 0.95 -0.56 0.00 0.00 175.26 176.33 3cae s THR 69 N 0.79 4.76 -0.10 -1.70 -4.23 -1.26 -0.75 115.64 113.16 3cae s THR 69 Ca -0.05 0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 3cae s THR 69 Cb -0.15 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.98 3cae s THR 69 CO 0.01 0.20 0.21 -0.75 -0.54 0.00 0.00 174.62 173.75 3cae s LYS 70 N -2.04 0.11 0.00 3.99 2.47 0.34 -4.87 119.74 119.74 3cae s LYS 70 Ca 0.40 0.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 3cae s LYS 70 Cb -0.15 -0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.07 3cae s LYS 70 CO 0.20 -0.25 0.00 0.41 0.16 0.00 0.00 175.35 175.86 3cae n GLY 71 N 4.98 1.67 3.64 5.54 0.00 -1.26 -2.12 105.19 117.63 3cae n GLY 71 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 3.97 -0.82 0.99 2.96 -1.26 -4.60 118.68 119.92 3cae s LEU 72 Ca 0.00 1.02 -0.16 0.00 -0.22 0.00 0.00 54.13 54.77 3cae s LEU 72 Cb 0.00 -3.48 0.18 0.00 0.50 0.00 0.00 46.19 43.40 3cae s LEU 72 CO 0.00 -0.83 0.84 0.86 -1.32 0.00 0.00 176.35 175.90 3cae s TRP 73 N 3.52 3.51 0.56 5.38 -0.00 -1.26 -5.04 118.94 125.60 3cae s TRP 73 Ca 0.43 -1.71 -0.21 0.00 -0.00 0.00 0.00 56.10 54.61 3cae s TRP 73 Cb -0.13 -3.95 -0.04 0.00 -0.00 0.00 0.00 33.47 29.35 3cae s TRP 73 CO 0.14 -1.14 1.33 -1.21 -0.00 0.00 0.00 176.95 176.06 3cae s GLU 74 N 1.10 3.10 0.59 5.86 0.41 -1.26 -4.85 118.70 123.64 3cae s GLU 74 Ca 0.20 2.15 0.33 0.00 -0.41 0.00 0.00 54.97 57.25 3cae s GLU 74 Cb -0.11 -2.19 1.85 0.00 -1.78 0.00 0.00 34.13 31.89 3cae s GLU 74 CO -0.07 -1.20 2.22 1.03 -0.49 0.00 0.00 175.26 176.75 3cae h SER 75 N 1.35 0.00 0.64 -0.19 0.87 -1.97 -1.61 113.55 112.64 3cae h SER 75 Ca -0.51 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 3cae h SER 75 Cb 1.30 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.27 3cae h SER 75 CO 0.57 0.04 -0.31 0.44 -0.53 0.00 0.00 176.83 177.03 3cae h ASP 76 N 0.00 -0.73 -0.64 6.23 3.32 -2.00 -1.16 116.42 121.44 3cae h ASP 76 Ca -0.00 0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.22 3cae h ASP 76 Cb 0.13 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3cae h ASP 76 CO 0.00 -0.51 0.44 -0.78 -1.72 0.00 0.00 179.24 176.67 3cae h ASP 77 N -0.88 0.24 -0.87 6.45 -0.00 -1.85 0.41 116.42 119.91 3cae h ASP 77 Ca -0.09 0.01 0.03 0.00 -0.00 0.00 0.00 57.03 56.98 3cae h ASP 77 Cb 0.66 -0.04 -0.05 0.00 -0.00 0.00 0.00 39.33 39.91 3cae h ASP 77 CO 0.14 0.13 0.57 0.03 -0.00 0.00 0.00 179.24 180.12 3cae h ARG 78 N 0.25 1.08 -0.08 0.28 3.08 -0.81 -1.15 114.38 117.04 3cae h ARG 78 Ca 0.31 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3cae h ARG 78 Cb 0.86 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3cae h ARG 78 CO -0.07 0.72 0.01 0.87 -1.07 0.00 0.00 179.97 180.43 3cae h LYS 79 N 1.11 0.13 -0.36 0.04 1.57 0.10 -2.72 116.57 116.46 3cae h LYS 79 Ca 0.34 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 3cae h LYS 79 Cb -0.02 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.20 3cae h LYS 79 CO -0.09 0.37 -0.15 0.87 -0.57 0.00 0.00 179.45 179.88 3cae h LYS 80 N -0.12 -0.08 -0.89 3.15 1.57 -0.77 0.12 116.57 119.56 3cae h LYS 80 Ca 0.02 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3cae h LYS 80 Cb 0.31 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 3cae h LYS 80 CO 0.00 -0.05 0.57 0.45 -0.57 0.00 0.00 179.45 179.85 3cae h HIS 81 N -0.08 0.88 -0.08 -1.35 3.86 -1.17 0.22 115.15 117.42 3cae h HIS 81 Ca 0.18 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3cae h HIS 81 Cb 0.36 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3cae h HIS 81 CO -0.38 0.37 0.04 -0.07 0.86 0.00 0.00 177.93 178.75 3cae h LEU 82 N 0.78 0.10 0.43 2.43 3.38 -0.54 -1.06 115.31 120.83 3cae h LEU 82 Ca 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3cae h LEU 82 Cb 0.56 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3cae h LEU 82 CO -0.19 0.17 -0.38 -0.07 0.09 0.00 0.00 178.44 178.06 3cae h LEU 83 N 0.02 -1.03 -0.93 1.67 3.38 0.12 -2.84 115.31 115.70 3cae h LEU 83 Ca 0.03 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3cae h LEU 83 Cb 0.10 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3cae h LEU 83 CO -0.00 -0.54 0.56 0.40 0.09 0.00 0.00 178.44 178.95 3cae h ILE 84 N -0.82 0.88 -0.10 1.22 2.04 -0.66 0.50 117.51 120.58 3cae h ILE 84 Ca -0.04 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3cae h ILE 84 Cb 0.72 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 3cae h ILE 84 CO -0.04 0.16 -0.43 0.03 0.00 0.00 0.00 178.15 177.87 3cae h ARG 85 N 0.88 -0.50 0.75 2.37 3.08 -0.97 0.18 114.38 120.17 3cae h ARG 85 Ca 0.47 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.52 3cae h ARG 85 Cb 0.49 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.66 3cae h ARG 85 CO -0.28 -0.33 -0.36 0.93 -1.07 0.00 0.00 179.97 178.86 3cae h GLU 86 N -0.52 -0.97 -0.09 0.04 5.08 -1.06 -2.10 114.58 114.96 3cae h GLU 86 Ca 0.07 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3cae h GLU 86 Cb 0.64 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3cae h GLU 86 CO -0.38 -0.65 0.12 1.96 -1.00 0.00 0.00 179.01 179.06 3cae h GLN 87 N -1.04 0.00 -2.05 2.33 4.20 0.02 -3.23 115.11 115.34 3cae h GLN 87 Ca -0.10 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.08 3cae h GLN 87 Cb 0.77 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.15 3cae h GLN 87 CO 0.17 0.00 -1.06 0.72 -0.67 0.00 0.00 178.83 177.99 3cae n HIS 88 N -3.71 0.67 0.24 2.96 8.25 0.63 -4.91 115.22 119.35 3cae n HIS 88 Ca -0.01 -3.78 0.05 0.00 -0.26 0.00 0.00 57.72 53.72 3cae n HIS 88 Cb 0.22 -0.41 0.21 0.00 1.12 0.00 0.00 29.99 31.12 3cae n HIS 88 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3cae n PRO 89 N 0.65 0.03 0.00 -0.41 -0.04 -0.80 -1.38 135.00 133.06 3cae n PRO 89 Ca 0.25 0.41 0.15 0.00 -0.04 0.00 0.00 63.50 64.27 3cae n PRO 89 Cb 0.57 -1.57 0.73 0.00 -0.04 0.00 0.00 33.50 33.18 3cae n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3cae n GLU 90 N -1.63 0.32 -4.31 0.54 0.00 -1.26 -4.82 120.64 109.48 3cae n GLU 90 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.86 3cae n GLU 90 Cb 0.09 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.93 3cae n GLU 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3cae s LEU 91 N -2.68 3.25 -0.31 -1.84 1.43 -0.48 -4.88 118.68 113.17 3cae s LEU 91 Ca 0.25 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3cae s LEU 91 Cb 0.20 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3cae s LEU 91 CO 0.48 0.23 0.10 -0.62 0.23 0.00 0.00 176.35 176.76 3cae s ASP 92 N -1.84 5.21 -0.17 2.29 -1.08 -1.26 -5.03 116.67 114.80 3cae s ASP 92 Ca 0.21 -0.76 -0.00 0.00 -0.52 0.00 0.00 52.55 51.47 3cae s ASP 92 Cb -0.11 -1.90 0.04 0.00 -1.46 0.00 0.00 42.92 39.49 3cae s ASP 92 CO 0.12 -0.22 -0.07 -0.63 0.52 0.00 0.00 175.17 174.89 3cae s ILE 93 N 1.50 1.26 0.37 4.11 1.01 -1.26 0.63 121.20 128.82 3cae s ILE 93 Ca 0.02 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.06 3cae s ILE 93 Cb -0.18 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 3cae s ILE 93 CO 0.03 0.19 0.16 -0.13 0.00 0.00 0.00 174.94 175.19 3cae s ARG 94 N 1.57 2.30 0.01 2.79 0.52 0.18 -4.67 118.95 121.65 3cae s ARG 94 Ca 0.01 -1.68 0.06 0.00 -0.52 0.00 0.00 55.73 53.59 3cae s ARG 94 Cb -0.15 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.21 3cae s ARG 94 CO -0.08 0.00 -0.17 0.42 0.02 0.00 0.00 175.30 175.49 3cae s ILE 95 N -2.51 1.38 -0.14 1.52 1.01 -0.22 -0.71 121.20 121.53 3cae s ILE 95 Ca 0.40 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3cae s ILE 95 Cb 0.00 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.32 3cae s ILE 95 CO 0.23 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 3cae s VAL 96 N -0.59 1.28 0.41 2.92 1.01 0.07 0.17 120.40 125.67 3cae s VAL 96 Ca 0.06 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.59 3cae s VAL 96 Cb -0.07 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3cae s VAL 96 CO 0.00 0.35 0.39 -0.36 0.00 0.00 0.00 175.10 175.48 3cae s PHE 97 N 1.59 2.74 -0.87 5.22 0.40 0.17 0.13 117.98 127.35 3cae s PHE 97 Ca 0.04 -0.47 0.26 0.00 -0.60 0.00 0.00 56.93 56.16 3cae s PHE 97 Cb -0.13 -2.16 1.01 0.00 0.51 0.00 0.00 43.02 42.24 3cae s PHE 97 CO -0.09 -0.13 1.81 0.43 0.70 0.00 0.00 175.22 177.94 3cae n SER 98 N -1.57 0.32 -3.20 1.36 7.64 -0.90 -1.16 113.62 116.11 3cae n SER 98 Ca 0.04 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.50 3cae n SER 98 Cb 0.61 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3cae n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3cae s SER 99 N -3.59 -0.46 0.00 6.43 0.15 -1.26 -4.66 113.70 110.31 3cae s SER 99 Ca 0.11 0.37 0.12 0.00 0.70 0.00 0.00 55.95 57.25 3cae s SER 99 Cb 0.15 1.42 0.54 0.00 -1.71 0.00 0.00 66.02 66.42 3cae s SER 99 CO 0.51 -0.09 1.37 -1.54 1.20 0.00 0.00 173.24 174.69 3cae n SER 100 N 5.30 0.67 -0.05 5.45 3.41 -1.26 -3.18 113.62 123.95 3cae n SER 100 Ca -0.07 -1.77 -0.14 0.00 -0.26 0.00 0.00 58.87 56.63 3cae n SER 100 Cb 0.54 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.24 0.68 -1.38 4.33 5.12 -1.26 -1.84 116.66 122.07 3cae n ARG 101 Ca 0.10 0.20 -0.46 0.00 -1.93 0.00 0.00 57.85 55.76 3cae n ARG 101 Cb 0.14 -1.67 -0.02 0.00 -1.16 0.00 0.00 32.46 29.75 3cae n ARG 101 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3cae n THR 102 N -3.13 1.59 -3.13 0.55 -1.04 -1.19 -4.40 114.28 103.52 3cae n THR 102 Ca -0.29 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 60.86 3cae n THR 102 Cb 1.06 -0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 69.44 3cae n THR 102 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3cae s LYS 103 N -1.06 4.22 0.37 -2.82 -0.14 -1.26 0.04 119.74 119.08 3cae s LYS 103 Ca 0.62 0.82 0.19 0.00 -1.36 0.00 0.00 55.97 56.24 3cae s LYS 103 Cb -0.82 -2.89 1.19 0.00 -1.68 0.00 0.00 37.83 33.63 3cae s LYS 103 CO 0.58 0.41 1.65 -0.07 -0.76 0.00 0.00 175.35 177.16 3cae h LEU 104 N 3.45 0.43 -7.97 3.17 3.38 -1.06 -3.44 115.31 113.27 3cae h LEU 104 Ca -0.48 0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.72 3cae h LEU 104 Cb 1.19 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3cae h LEU 104 CO 0.65 -0.18 0.31 -0.72 0.09 0.00 0.00 178.44 178.59 3cae s TYR 105 N -5.57 0.00 0.23 1.13 -0.85 -1.26 -4.77 117.35 106.26 3cae s TYR 105 Ca -0.09 -0.56 -0.31 0.00 -0.52 0.00 0.00 57.07 55.58 3cae s TYR 105 Cb 0.30 0.77 -0.14 0.00 0.38 0.00 0.00 41.96 43.28 3cae s TYR 105 CO 0.79 -1.35 1.39 1.63 -1.52 0.00 0.00 175.55 176.48 3cae n LYS 106 N -0.52 1.95 -0.95 -3.49 4.76 -1.26 -0.66 118.16 117.99 3cae n LYS 106 Ca -0.06 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 3cae n LYS 106 Cb 0.60 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 3cae n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cae n GLY 107 N 2.17 0.09 3.69 0.72 0.00 -1.26 -4.94 105.19 105.66 3cae n GLY 107 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.02 6.88 -0.03 1.61 0.15 0.17 -4.88 113.70 115.58 3cae s SER 108 Ca 0.00 2.06 0.02 0.00 0.70 0.00 0.00 55.95 58.73 3cae s SER 108 Cb 0.00 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 61.86 3cae s SER 108 CO 0.00 -0.70 0.78 -0.81 1.20 0.00 0.00 173.24 173.70 3cae n PRO 109 N 5.41 1.48 -4.36 5.44 -0.04 -1.26 -4.77 135.00 136.90 3cae n PRO 109 Ca 0.13 -0.43 -0.21 0.00 -0.04 0.00 0.00 63.50 62.94 3cae n PRO 109 Cb 0.44 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 3cae n PRO 109 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3cae s THR 110 N -1.40 0.78 0.09 0.52 2.01 -1.26 -5.10 115.64 111.28 3cae s THR 110 Ca 0.08 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 3cae s THR 110 Cb 0.05 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 3cae s THR 110 CO 0.03 0.27 0.32 -0.94 -0.69 0.00 0.00 174.62 173.60 3cae s SER 111 N 0.61 6.48 0.32 3.53 1.04 -1.26 -0.45 113.70 123.96 3cae s SER 111 Ca -0.10 0.54 0.04 0.00 0.48 0.00 0.00 55.95 56.91 3cae s SER 111 Cb -0.13 -2.07 0.84 0.00 0.10 0.00 0.00 66.02 64.76 3cae s SER 111 CO 0.01 0.13 1.57 -1.22 0.98 0.00 0.00 173.24 174.71 3cae n TYR 112 N 0.45 0.71 -0.09 5.02 0.53 0.11 0.65 117.16 124.54 3cae n TYR 112 Ca -0.06 1.20 -0.07 0.00 -1.02 0.00 0.00 57.90 57.96 3cae n TYR 112 Cb 0.52 -1.29 0.00 0.00 -1.03 0.00 0.00 39.34 37.54 3cae n TYR 112 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3cae h GLY 113 N 0.00 0.37 0.43 2.72 0.00 -1.62 -1.59 103.07 103.38 3cae h GLY 113 Ca 0.64 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 48.01 3cae h GLY 113 CO -0.92 -0.00 0.07 0.83 0.00 0.00 0.00 176.54 176.52 3cae h GLU 114 N 0.19 0.19 -0.45 4.80 5.08 -0.05 -1.50 114.58 122.84 3cae h GLU 114 Ca 0.14 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3cae h GLU 114 Cb 0.14 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 3cae h GLU 114 CO -0.18 0.12 -0.36 0.35 -1.00 0.00 0.00 179.01 177.95 3cae h PHE 115 N 0.19 -1.01 -0.03 4.33 3.57 -0.47 0.60 116.94 124.12 3cae h PHE 115 Ca 0.21 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3cae h PHE 115 Cb 0.27 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3cae h PHE 115 CO -0.22 -0.40 -0.12 0.00 -2.23 0.00 0.00 178.31 175.34 3cae h GLU 117 N 0.04 0.29 0.00 0.00 5.08 -0.08 0.98 114.58 120.89 3cae h GLU 117 Ca 0.01 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3cae h GLU 117 Cb 0.24 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cae h GLU 117 CO 0.02 1.01 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.67 3cae h LYS 118 N 0.16 0.00 -0.15 2.33 3.64 -0.31 -2.93 116.57 119.30 3cae h LYS 118 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3cae h LYS 118 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3cae h LYS 118 CO 0.15 0.15 0.00 0.72 -2.27 0.00 0.00 179.45 178.20 3cae n HIS 119 N -3.80 0.22 -2.39 1.91 8.25 -1.04 -5.01 115.22 113.34 3cae n HIS 119 Ca -0.02 -0.52 -0.12 0.00 -0.26 0.00 0.00 57.72 56.80 3cae n HIS 119 Cb 0.26 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.08 -0.09 3.64 -1.41 0.00 -0.17 -5.01 105.19 102.06 3cae n GLY 120 Ca 0.06 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.71 5.23 -0.05 -0.61 1.01 0.32 -5.00 121.20 119.39 3cae s ILE 121 Ca 0.06 0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.93 3cae s ILE 121 Cb -0.03 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3cae s ILE 121 CO 0.08 0.23 1.07 -0.54 0.00 0.00 0.00 174.94 175.78 3cae s LYS 122 N 1.59 4.44 0.36 2.79 1.02 -1.26 -4.40 119.74 124.27 3cae s LYS 122 Ca 0.14 1.51 0.03 0.00 0.02 0.00 0.00 55.97 57.68 3cae s LYS 122 Cb -0.15 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 3cae s LYS 122 CO 0.08 -0.28 0.08 -0.59 -0.92 0.00 0.00 175.35 173.72 3cae s PHE 123 N 1.74 1.87 0.08 3.18 -0.12 -1.25 -1.05 117.98 122.43 3cae s PHE 123 Ca 0.52 -1.08 -0.26 0.00 -0.05 0.00 0.00 56.93 56.06 3cae s PHE 123 Cb -0.22 -1.23 0.08 0.00 -0.63 0.00 0.00 43.02 41.03 3cae s PHE 123 CO 0.22 -0.11 0.72 0.00 -0.05 0.00 0.00 175.22 176.01 3cae s ALA 124 N -3.28 -1.70 -0.09 1.99 0.00 0.13 -4.90 121.76 113.90 3cae s ALA 124 Ca 0.31 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 3cae s ALA 124 Cb 0.06 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3cae s ALA 124 CO 0.15 -0.71 0.00 -0.51 0.00 0.00 0.00 175.76 174.69 3cae s ASP 125 N -2.54 5.25 0.00 0.00 -0.00 -1.26 -0.66 116.67 117.46 3cae s ASP 125 Ca 0.02 0.14 0.00 0.00 -0.00 0.00 0.00 52.55 52.70 3cae s ASP 125 Cb -0.01 -1.51 0.00 0.00 -0.00 0.00 0.00 42.92 41.40 3cae s ASP 125 CO -0.10 0.36 0.00 0.29 -0.00 0.00 0.00 175.17 175.72 3cae n LYS 126 N 2.25 0.00 -4.31 8.23 5.02 -0.31 -4.75 118.16 124.29 3cae n LYS 126 Ca -0.19 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.94 3cae n LYS 126 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.44 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 2.34 -0.21 -0.35 2.01 -1.26 -4.93 118.68 116.27 3cae s LEU 127 Ca 0.00 -1.14 -0.29 0.00 0.01 0.00 0.00 54.13 52.71 3cae s LEU 127 Cb 0.00 -0.35 -0.03 0.00 0.01 0.00 0.00 46.19 45.83 3cae s LEU 127 CO 0.00 -0.42 1.61 -0.63 1.01 0.00 0.00 176.35 177.92 3cae s ILE 128 N -3.33 3.70 0.41 -0.59 1.01 -1.26 -4.94 121.20 116.20 3cae s ILE 128 Ca 0.25 0.79 -0.23 0.00 0.00 0.00 0.00 60.65 61.46 3cae s ILE 128 Cb 0.04 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 3cae s ILE 128 CO 0.06 -0.28 0.72 -2.65 0.00 0.00 0.00 174.94 172.79 3cae n PRO 129 N 7.62 0.83 0.11 2.79 -0.02 -1.26 -4.84 135.00 140.23 3cae n PRO 129 Ca 0.19 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3cae n PRO 129 Cb 0.45 -1.68 0.24 0.00 -0.02 0.00 0.00 33.50 32.49 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 1.07 1.15 -0.86 3.55 0.00 -1.99 -2.59 119.26 119.59 3cae h ALA 130 Ca -0.41 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.19 3cae h ALA 130 Cb 1.38 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3cae h ALA 130 CO 0.54 0.58 0.50 0.93 0.00 0.00 0.00 179.25 181.80 3cae h GLU 131 N 0.16 0.81 -0.19 0.00 4.39 -1.97 0.17 114.58 117.94 3cae h GLU 131 Ca 0.01 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3cae h GLU 131 Cb 0.80 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3cae h GLU 131 CO 0.06 0.54 0.04 -1.49 -1.16 0.00 0.00 179.01 177.00 3cae h TRP 132 N 0.83 0.33 -0.84 4.33 4.06 -1.83 -1.07 115.95 121.76 3cae h TRP 132 Ca 0.42 -0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.42 3cae h TRP 132 Cb 0.39 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 3cae h TRP 132 CO -0.05 0.44 0.55 0.82 -3.56 0.00 0.00 178.44 176.64 3cae h ILE 133 N 0.12 0.97 -0.01 1.49 2.04 -0.89 -1.30 117.51 119.93 3cae h ILE 133 Ca 0.06 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3cae h ILE 133 Cb 0.28 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3cae h ILE 133 CO 0.00 0.15 -0.20 0.29 0.00 0.00 0.00 178.15 178.39 3cae n LYS 134 N -4.51 1.12 -1.75 2.37 5.02 0.46 -4.89 118.16 115.98 3cae n LYS 134 Ca 0.14 -0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 3cae n LYS 134 Cb 0.30 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 3cae n LYS 134 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3cae n GLU 135 N -0.34 2.69 -1.63 1.97 1.02 -0.43 -4.90 120.64 119.02 3cae n GLU 135 Ca 0.14 0.95 -0.46 0.00 -0.02 0.00 0.00 57.16 57.77 3cae n GLU 135 Cb 0.37 -2.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.02 3cae n GLU 135 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3cae n PRO 136 N 2.01 1.63 -0.70 3.49 -0.04 -1.26 -4.71 135.00 135.41 3cae n PRO 136 Ca 0.08 0.58 -0.32 0.00 -0.04 0.00 0.00 63.50 63.80 3cae n PRO 136 Cb 0.37 -2.15 0.16 0.00 -0.04 0.00 0.00 33.50 31.84 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 1.75 -0.63 -3.63 0.54 4.81 -1.26 -4.91 118.16 114.83 3cae n LYS 137 Ca 0.12 -0.13 -0.05 0.00 -0.87 0.00 0.00 58.31 57.38 3cae n LYS 137 Cb 0.29 -2.11 -0.06 0.00 0.02 0.00 0.00 35.03 33.16 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 -4.15 0.62 0.38 1.64 -2.85 -0.79 -5.00 119.74 109.59 3cae s LYS 138 Ca 0.62 1.16 -0.23 0.00 -1.00 0.00 0.00 55.97 56.53 3cae s LYS 138 Cb -0.22 0.28 -0.14 0.00 -2.06 0.00 0.00 37.83 35.68 3cae s LYS 138 CO 0.63 -0.15 0.35 0.39 0.10 0.00 0.00 175.35 176.67 3cae n GLU 139 N 4.45 0.26 -3.94 1.78 -0.58 -1.26 -4.33 120.64 117.02 3cae n GLU 139 Ca -0.18 0.09 -0.29 0.00 -0.42 0.00 0.00 57.16 56.37 3cae n GLU 139 Cb 0.57 -1.22 -0.16 0.00 -0.57 0.00 0.00 31.44 30.05 3cae n GLU 139 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3cae s VAL 140 N -1.50 1.31 -0.81 2.62 1.01 -1.26 -5.00 120.40 116.78 3cae s VAL 140 Ca 0.61 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 3cae s VAL 140 Cb -0.66 -1.39 -0.16 0.00 0.00 0.00 0.00 36.38 34.17 3cae s VAL 140 CO 0.60 0.23 1.91 -0.81 0.00 0.00 0.00 175.10 177.02 3cae n PRO 141 N 4.82 1.43 0.20 2.72 -0.04 -1.26 -4.76 135.00 138.10 3cae n PRO 141 Ca -0.13 -1.92 0.10 0.00 -0.04 0.00 0.00 63.50 61.50 3cae n PRO 141 Cb 0.48 -3.06 0.53 0.00 -0.04 0.00 0.00 33.50 31.41 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 8.38 0.00 -0.13 0.54 -1.00 -1.97 0.11 116.94 122.87 3cae h PHE 142 Ca 0.37 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.92 3cae h PHE 142 Cb 0.72 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.30 3cae h PHE 142 CO 1.22 0.00 -0.81 -0.44 -1.61 0.00 0.00 178.31 176.67 3cae h ASP 143 N 0.00 0.93 0.00 2.17 3.32 -2.03 -2.80 116.42 118.01 3cae h ASP 143 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3cae h ASP 143 Cb 0.42 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3cae h ASP 143 CO 0.00 1.43 0.00 0.54 -1.72 0.00 0.00 179.24 179.49 3cae n ARG 144 N -3.94 0.69 -4.60 3.56 5.12 0.02 -4.79 116.66 112.73 3cae n ARG 144 Ca -0.08 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.56 3cae n ARG 144 Cb 0.76 -1.14 -0.09 0.00 -1.16 0.00 0.00 32.46 30.84 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 -1.27 2.28 0.06 0.55 1.43 -1.06 -5.12 118.68 115.56 3cae s LEU 145 Ca 0.09 -1.55 0.06 0.00 -1.03 0.00 0.00 54.13 51.70 3cae s LEU 145 Cb 0.04 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 3cae s LEU 145 CO 0.07 -0.75 -0.17 -0.54 0.23 0.00 0.00 176.35 175.18 3cae s LYS 146 N -3.80 1.07 0.09 1.70 1.02 -1.26 -5.00 119.74 113.55 3cae s LYS 146 Ca 0.23 -0.93 -0.14 0.00 0.02 0.00 0.00 55.97 55.14 3cae s LYS 146 Cb 0.05 -1.16 -0.06 0.00 -0.52 0.00 0.00 37.83 36.13 3cae s LYS 146 CO 0.12 0.28 0.50 0.50 -0.92 0.00 0.00 175.35 175.82 3cae s ARG 147 N -1.44 3.96 0.00 1.68 3.52 -1.26 -5.17 118.95 120.25 3cae s ARG 147 Ca 0.03 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 3cae s ARG 147 Cb -0.09 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3cae s ARG 147 CO 0.02 0.57 0.45 0.36 -0.81 0.00 0.00 175.30 175.89