#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 -1.17 0.25 3.03 0.00 -2.05 -1.65 103.07 101.47 3cae h GLY 18 Ca 0.00 0.64 0.15 0.00 0.00 0.00 0.00 47.33 48.12 3cae h GLY 18 CO 0.00 -0.29 0.52 -2.00 0.00 0.00 0.00 176.54 174.77 3cae h LEU 19 N -0.67 0.67 -0.20 3.11 5.85 -2.05 0.13 115.31 122.16 3cae h LEU 19 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3cae h LEU 19 Cb 0.67 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3cae h LEU 19 CO -0.26 0.29 0.12 -0.33 -0.34 0.00 0.00 178.44 177.92 3cae h GLU 20 N 0.73 0.26 -0.57 1.25 5.08 -1.88 0.65 114.58 120.10 3cae h GLU 20 Ca 0.50 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.78 3cae h GLU 20 Cb 0.69 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3cae h GLU 20 CO -0.35 0.21 0.15 0.22 -1.00 0.00 0.00 179.01 178.23 3cae h ASP 21 N 0.24 0.86 -0.45 1.42 1.82 -0.29 0.20 116.42 120.22 3cae h ASP 21 Ca 0.07 -0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.44 3cae h ASP 21 Cb 0.01 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 3cae h ASP 21 CO -0.01 0.87 0.14 0.11 -1.61 0.00 0.00 179.24 178.73 3cae h LYS 22 N 0.82 0.77 -0.02 0.28 1.57 -0.54 -1.67 116.57 117.78 3cae h LYS 22 Ca 0.18 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.57 3cae h LYS 22 Cb 0.34 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.54 3cae h LYS 22 CO 0.00 0.69 -0.97 0.28 -0.57 0.00 0.00 179.45 178.87 3cae h VAL 23 N 0.75 1.32 -0.09 0.50 2.07 -0.49 -2.74 116.25 117.56 3cae h VAL 23 Ca 0.17 -2.27 -0.13 0.00 0.82 0.00 0.00 66.70 65.29 3cae h VAL 23 Cb 0.26 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3cae h VAL 23 CO -0.00 0.70 -0.51 0.77 0.02 0.00 0.00 177.57 178.54 3cae h SER 24 N 0.36 0.27 0.22 0.57 4.64 -0.40 -2.33 113.55 116.87 3cae h SER 24 Ca -0.10 -0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 60.92 3cae h SER 24 Cb 1.62 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 3cae h SER 24 CO 0.18 0.73 -0.65 0.11 -0.87 0.00 0.00 176.83 176.34 3cae h LYS 25 N 0.19 0.41 0.16 4.77 1.57 -1.36 -1.17 116.57 121.13 3cae h LYS 25 Ca 0.01 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3cae h LYS 25 Cb 0.96 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3cae h LYS 25 CO 0.08 0.92 -0.12 0.37 -0.57 0.00 0.00 179.45 180.13 3cae h GLN 26 N 0.30 -0.27 0.49 3.15 4.15 -1.26 1.01 115.11 122.67 3cae h GLN 26 Ca -0.01 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3cae h GLN 26 Cb 1.19 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3cae h GLN 26 CO 0.11 -0.18 -0.41 -0.07 -1.93 0.00 0.00 178.83 176.35 3cae h LEU 27 N -0.28 -1.10 -1.42 -2.39 3.38 -1.37 -2.09 115.31 110.05 3cae h LEU 27 Ca -0.01 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.20 3cae h LEU 27 Cb 0.25 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3cae h LEU 27 CO -0.01 -0.59 0.56 -0.33 0.09 0.00 0.00 178.44 178.17 3cae h GLU 28 N -0.90 0.53 0.00 1.13 5.08 -0.98 0.28 114.58 119.71 3cae h GLU 28 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3cae h GLU 28 Cb 0.77 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3cae h GLU 28 CO -0.02 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.21 3cae n SER 29 N -4.53 0.37 -0.16 1.42 3.41 0.35 -1.49 113.62 112.99 3cae n SER 29 Ca 0.17 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.43 3cae n SER 29 Cb 0.54 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3cae n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cae n LYS 30 N -1.92 2.62 -2.62 4.33 5.02 0.82 -5.00 118.16 121.42 3cae n LYS 30 Ca 0.02 -0.43 -0.10 0.00 -2.02 0.00 0.00 58.31 55.79 3cae n LYS 30 Cb 0.18 -1.03 0.02 0.00 -0.02 0.00 0.00 35.03 34.17 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 0.97 0.19 3.66 0.72 0.00 -0.34 -4.98 105.19 105.39 3cae n GLY 31 Ca 0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.84 4.40 -1.08 -0.61 -1.09 -0.94 -4.94 121.20 114.09 3cae s ILE 32 Ca 0.14 1.68 -0.22 0.00 -2.23 0.00 0.00 60.65 60.02 3cae s ILE 32 Cb -0.06 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3cae s ILE 32 CO 0.17 -0.21 1.63 -0.75 -1.23 0.00 0.00 174.94 174.56 3cae s LYS 33 N 3.49 3.47 0.42 2.79 2.20 -1.26 -4.71 119.74 126.13 3cae s LYS 33 Ca 0.51 -1.23 0.07 0.00 -0.36 0.00 0.00 55.97 54.97 3cae s LYS 33 Cb -0.19 -5.35 -0.04 0.00 -1.51 0.00 0.00 37.83 30.74 3cae s LYS 33 CO 0.13 -2.51 0.25 -0.59 -0.36 0.00 0.00 175.35 172.27 3cae s PHE 34 N 5.94 2.62 -0.11 4.03 -0.12 -1.26 -5.13 117.98 123.95 3cae s PHE 34 Ca 0.53 -0.56 -0.01 0.00 -0.05 0.00 0.00 56.93 56.84 3cae s PHE 34 Cb -0.00 -2.03 -0.03 0.00 -0.63 0.00 0.00 43.02 40.33 3cae s PHE 34 CO -0.03 0.07 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.94 3cae s GLU 35 N -3.99 3.17 -0.22 1.99 2.02 -1.26 -5.11 118.70 115.30 3cae s GLU 35 Ca 0.43 -0.56 -0.05 0.00 0.02 0.00 0.00 54.97 54.81 3cae s GLU 35 Cb 0.01 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 3cae s GLU 35 CO 0.24 0.44 0.00 -0.47 0.02 0.00 0.00 175.26 175.50 3cae s TYR 36 N -0.21 3.02 -0.87 1.61 5.04 -1.26 -4.73 117.35 119.95 3cae s TYR 36 Ca 0.03 -0.62 -0.18 0.00 -2.44 0.00 0.00 57.07 53.86 3cae s TYR 36 Cb -0.13 -2.14 0.02 0.00 0.35 0.00 0.00 41.96 40.07 3cae s TYR 36 CO 0.03 -0.39 0.34 0.39 -1.34 0.00 0.00 175.55 174.57 3cae n GLU 37 N 4.65 -0.60 -0.09 4.97 1.02 -1.26 -4.84 120.64 124.48 3cae n GLU 37 Ca -0.17 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.75 3cae n GLU 37 Cb 0.51 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 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 -3.63 0.61 -4.79 3.49 4.07 -1.26 -5.03 120.64 114.10 3cae n GLU 38 Ca -0.11 0.10 -0.33 0.00 -0.06 0.00 0.00 57.16 56.76 3cae n GLU 38 Cb 0.40 -1.39 -0.13 0.00 -0.06 0.00 0.00 31.44 30.26 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 -2.39 2.73 -0.32 4.31 0.52 -1.26 -5.10 118.94 117.43 3cae s TRP 39 Ca -0.24 -0.13 -0.09 0.00 0.02 0.00 0.00 56.10 55.65 3cae s TRP 39 Cb 0.06 -1.62 -0.00 0.00 -1.15 0.00 0.00 33.47 30.77 3cae s TRP 39 CO 0.47 0.23 0.15 0.15 0.02 0.00 0.00 176.95 177.98 3cae s LYS 40 N -0.90 3.23 -0.35 4.98 1.02 -1.26 -5.07 119.74 121.38 3cae s LYS 40 Ca 0.13 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 55.08 3cae s LYS 40 Cb -0.11 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3cae s LYS 40 CO 0.02 -0.46 0.85 0.08 -0.92 0.00 0.00 175.35 174.92 3cae s VAL 41 N 1.59 4.68 0.43 3.17 1.01 -1.26 -5.04 120.40 124.98 3cae s VAL 41 Ca 0.04 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.91 3cae s VAL 41 Cb -0.17 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 3cae s VAL 41 CO 0.06 -0.44 0.97 -2.84 0.00 0.00 0.00 175.10 172.85 3cae s PRO 42 N 3.24 4.16 0.26 2.72 0.02 -1.26 -5.06 135.00 139.08 3cae s PRO 42 Ca 0.35 1.20 -0.20 0.00 0.02 0.00 0.00 61.00 62.37 3cae s PRO 42 Cb -0.13 -2.22 0.07 0.00 0.02 0.00 0.00 34.50 32.24 3cae s PRO 42 CO 0.17 -0.10 0.94 1.52 -0.33 0.00 0.00 177.00 179.20 3cae s TYR 43 N -2.08 0.08 -0.12 6.54 -0.85 -1.26 -5.15 117.35 114.50 3cae s TYR 43 Ca 0.62 -0.57 -0.00 0.00 -0.52 0.00 0.00 57.07 56.59 3cae s TYR 43 Cb -0.12 0.75 0.03 0.00 0.38 0.00 0.00 41.96 43.00 3cae s TYR 43 CO 0.16 -1.15 -0.07 -1.54 -1.52 0.00 0.00 175.55 171.42 3cae s SER 44 N -3.26 2.30 0.11 -0.18 1.04 -1.26 -5.11 113.70 107.33 3cae s SER 44 Ca 0.19 -0.37 -0.25 0.00 0.48 0.00 0.00 55.95 56.00 3cae s SER 44 Cb -0.03 -0.84 -0.07 0.00 0.10 0.00 0.00 66.02 65.17 3cae s SER 44 CO 0.07 -0.13 0.76 0.21 0.98 0.00 0.00 173.24 175.13 3cae s ASN 45 N 1.70 7.30 0.05 7.02 3.84 -1.26 -5.07 114.94 128.52 3cae s ASN 45 Ca 0.04 1.54 0.07 0.00 0.21 0.00 0.00 52.86 54.72 3cae s ASN 45 Cb -0.13 -2.48 -0.03 0.00 -0.55 0.00 0.00 41.25 38.06 3cae s ASN 45 CO -0.08 0.13 -0.15 0.54 -2.79 0.00 0.00 177.10 174.74 3cae s ASN 46 N -0.65 4.00 0.40 -4.21 4.22 -1.26 -5.12 114.94 112.32 3cae s ASN 46 Ca 0.37 -0.39 0.04 0.00 -2.14 0.00 0.00 52.86 50.74 3cae s ASN 46 Cb -0.22 -0.71 -0.05 0.00 1.28 0.00 0.00 41.25 41.56 3cae s ASN 46 CO 0.24 0.24 0.05 -1.10 -2.04 0.00 0.00 177.10 174.50 3cae s GLN 47 N -1.58 1.88 -0.14 3.55 1.11 -1.26 -5.14 119.66 118.08 3cae s GLN 47 Ca 0.16 -2.10 0.00 0.00 0.01 0.00 0.00 55.36 53.43 3cae s GLN 47 Cb -0.11 -1.14 0.02 0.00 -1.01 0.00 0.00 33.01 30.78 3cae s GLN 47 CO 0.07 -0.24 -0.12 1.14 0.01 0.00 0.00 175.29 176.15 3cae s GLN 48 N -3.81 2.06 0.55 2.91 1.03 -1.26 -5.11 119.66 116.03 3cae s GLN 48 Ca 0.28 -0.46 -0.13 0.00 0.04 0.00 0.00 55.36 55.09 3cae s GLN 48 Cb 0.07 -1.95 -0.06 0.00 0.03 0.00 0.00 33.01 31.10 3cae s GLN 48 CO 0.14 -0.25 0.98 -0.80 -2.54 0.00 0.00 175.29 172.82 3cae s ASN 49 N 1.55 6.42 -0.17 12.60 0.02 -1.26 -5.05 114.94 129.05 3cae s ASN 49 Ca 0.05 1.44 -0.01 0.00 -1.02 0.00 0.00 52.86 53.31 3cae s ASN 49 Cb -0.13 -2.46 0.05 0.00 0.02 0.00 0.00 41.25 38.73 3cae s ASN 49 CO -0.10 -0.70 -0.01 -0.31 0.02 0.00 0.00 177.10 176.00 3cae s TYR 50 N -2.86 1.36 -0.24 2.20 1.51 -1.26 -5.10 117.35 112.96 3cae s TYR 50 Ca 0.56 -0.95 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 3cae s TYR 50 Cb -0.10 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 3cae s TYR 50 CO 0.42 -0.59 0.18 -1.12 -1.11 0.00 0.00 175.55 173.33 3cae s SER 51 N 1.75 6.13 0.40 2.29 0.01 -1.26 -5.06 113.70 117.97 3cae s SER 51 Ca -0.00 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.14 3cae s SER 51 Cb -0.16 -2.12 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 3cae s SER 51 CO -0.07 0.04 1.21 -0.94 0.41 0.00 0.00 173.24 173.89 3cae s SER 52 N 1.11 6.45 0.25 2.44 1.04 -1.26 -5.01 113.70 118.72 3cae s SER 52 Ca 0.08 2.44 -0.06 0.00 0.48 0.00 0.00 55.95 58.90 3cae s SER 52 Cb -0.14 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.34 3cae s SER 52 CO 0.05 -0.73 0.33 -1.00 0.98 0.00 0.00 173.24 172.87 3cae s HIS 53 N -1.36 0.84 -0.01 5.02 3.76 -1.26 -5.18 115.29 117.10 3cae s HIS 53 Ca 0.57 -1.11 -0.06 0.00 -0.15 0.00 0.00 55.06 54.31 3cae s HIS 53 Cb -0.33 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3cae s HIS 53 CO 0.42 -0.87 0.13 0.95 -0.85 0.00 0.00 174.74 174.52 3cae s THR 54 N -3.91 0.06 -0.11 1.30 -4.23 -1.26 -5.14 115.64 102.35 3cae s THR 54 Ca 0.31 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 3cae s THR 54 Cb 0.03 -0.36 0.02 0.00 1.34 0.00 0.00 72.50 73.52 3cae s THR 54 CO 0.13 -0.27 -0.13 -0.47 -0.54 0.00 0.00 174.62 173.33 3cae s TYR 55 N -0.95 1.83 -0.40 3.99 5.04 -1.26 -5.11 117.35 120.49 3cae s TYR 55 Ca -0.10 -0.87 -0.15 0.00 -2.44 0.00 0.00 57.07 53.50 3cae s TYR 55 Cb -0.06 -1.36 0.02 0.00 0.35 0.00 0.00 41.96 40.91 3cae s TYR 55 CO 0.01 -0.48 0.33 0.99 -1.34 0.00 0.00 175.55 175.06 3cae s THR 56 N 1.14 5.21 0.76 4.34 2.01 -1.26 -5.06 115.64 122.78 3cae s THR 56 Ca -0.04 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 3cae s THR 56 Cb -0.14 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.48 3cae s THR 56 CO -0.03 -0.31 1.15 -2.84 -0.69 0.00 0.00 174.62 171.90 3cae s PRO 57 N 1.82 2.11 -0.04 4.92 0.02 -1.26 -4.97 135.00 137.59 3cae s PRO 57 Ca 0.07 1.51 -0.23 0.00 0.02 0.00 0.00 61.00 62.37 3cae s PRO 57 Cb -0.18 -1.85 -0.18 0.00 0.02 0.00 0.00 34.50 32.31 3cae s PRO 57 CO 0.11 -1.81 1.01 -0.44 -0.33 0.00 0.00 177.00 175.55 3cae h ASP 58 N -0.68 -0.14 -3.66 2.53 3.32 -1.85 -3.47 116.42 112.47 3cae h ASP 58 Ca -0.46 -0.41 -0.39 0.00 0.02 0.00 0.00 57.03 55.79 3cae h ASP 58 Cb 1.27 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3cae h ASP 58 CO 0.49 0.40 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.33 3cae s PHE 59 N -3.71 1.48 -0.31 4.55 0.40 0.19 -5.00 117.98 115.59 3cae s PHE 59 Ca -0.14 -0.64 -0.02 0.00 -0.60 0.00 0.00 56.93 55.52 3cae s PHE 59 Cb 0.01 -0.72 0.10 0.00 0.51 0.00 0.00 43.02 42.92 3cae s PHE 59 CO 0.55 0.21 0.12 -1.17 0.70 0.00 0.00 175.22 175.63 3cae s LEU 60 N -3.10 1.39 0.86 -0.37 2.96 -1.26 -0.88 118.68 118.28 3cae s LEU 60 Ca 0.18 -1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 52.44 3cae s LEU 60 Cb -0.00 -0.60 0.11 0.00 0.50 0.00 0.00 46.19 46.20 3cae s LEU 60 CO 0.04 -0.42 1.10 -0.76 -1.32 0.00 0.00 176.35 174.99 3cae s LEU 61 N 1.77 2.63 0.60 -0.68 1.43 -0.49 -4.92 118.68 119.03 3cae s LEU 61 Ca 0.10 1.77 0.31 0.00 -1.03 0.00 0.00 54.13 55.29 3cae s LEU 61 Cb -0.17 -4.28 1.85 0.00 0.03 0.00 0.00 46.19 43.62 3cae s LEU 61 CO -0.29 -2.55 2.21 -0.65 0.23 0.00 0.00 176.35 175.30 3cae h PRO 62 N -1.49 0.00 -0.01 1.29 0.11 -1.94 -1.97 132.00 127.99 3cae h PRO 62 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cae h PRO 62 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3cae h PRO 62 CO 0.50 0.00 -0.18 0.27 -0.21 0.00 0.00 178.00 178.39 3cae n ASN 63 N -3.70 0.89 0.00 -2.05 0.23 -1.26 -4.80 115.26 104.58 3cae n ASN 63 Ca -0.02 -0.87 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 3cae n ASN 63 Cb 0.17 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 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 1.30 1.48 3.64 4.83 0.00 -0.74 -0.80 105.19 114.89 3cae n GLY 64 Ca 0.14 -0.08 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 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 0.29 -3.77 -0.61 5.41 -1.26 -4.69 119.36 114.73 3cae n ILE 65 Ca 0.00 -0.07 -0.36 0.00 1.00 0.00 0.00 62.75 63.32 3cae n ILE 65 Cb 0.00 -1.27 -0.10 0.00 -0.71 0.00 0.00 39.64 37.56 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 0.49 3.29 -0.07 1.39 0.40 0.46 -1.39 117.98 122.55 3cae s PHE 66 Ca 0.77 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 57.27 3cae s PHE 66 Cb -0.76 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 40.55 3cae s PHE 66 CO 0.44 0.09 -0.13 0.08 0.70 0.00 0.00 175.22 176.40 3cae s VAL 67 N 0.81 3.18 -0.14 -0.44 1.01 -0.06 0.48 120.40 125.25 3cae s VAL 67 Ca 0.06 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3cae s VAL 67 Cb -0.13 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.01 3cae s VAL 67 CO 0.02 0.58 -0.09 -0.70 0.00 0.00 0.00 175.10 174.92 3cae s GLU 68 N -0.58 1.72 0.47 2.72 2.56 0.11 -0.64 118.70 125.07 3cae s GLU 68 Ca 0.08 -0.43 -0.19 0.00 0.00 0.00 0.00 54.97 54.43 3cae s GLU 68 Cb -0.11 -1.87 -0.09 0.00 2.00 0.00 0.00 34.13 34.05 3cae s GLU 68 CO 0.01 -0.31 0.98 0.95 -0.56 0.00 0.00 175.26 176.34 3cae s THR 69 N 1.62 4.25 -0.24 -1.70 -4.23 -1.26 -1.15 115.64 112.93 3cae s THR 69 Ca 0.03 1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 61.67 3cae s THR 69 Cb -0.14 -3.58 0.07 0.00 1.34 0.00 0.00 72.50 70.19 3cae s THR 69 CO -0.09 -0.40 0.62 -0.75 -0.54 0.00 0.00 174.62 173.47 3cae s LYS 70 N -3.46 0.68 0.00 3.99 2.47 -0.00 -4.85 119.74 118.56 3cae s LYS 70 Ca 0.63 1.00 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 3cae s LYS 70 Cb -0.11 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 3cae s LYS 70 CO 0.20 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.00 3cae n GLY 71 N 3.56 -0.08 3.74 5.54 0.00 -1.26 -0.85 105.19 115.84 3cae n GLY 71 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 3.05 -0.47 0.99 2.96 -1.26 -4.67 118.68 119.28 3cae s LEU 72 Ca 0.00 1.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.94 3cae s LEU 72 Cb 0.00 -4.54 0.21 0.00 0.50 0.00 0.00 46.19 42.36 3cae s LEU 72 CO 0.00 -2.29 0.86 1.87 -1.32 0.00 0.00 176.35 175.47 3cae n TRP 73 N -3.51 -3.01 -1.63 5.38 -0.00 -1.26 -5.10 117.44 108.31 3cae n TRP 73 Ca 0.10 -1.31 -0.30 0.00 -0.00 0.00 0.00 57.50 56.00 3cae n TRP 73 Cb 0.52 1.42 0.09 0.00 -0.00 0.00 0.00 31.31 33.34 3cae n TRP 73 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3cae s GLU 74 N 0.79 2.10 0.45 5.87 2.02 -1.26 -4.71 118.70 123.96 3cae s GLU 74 Ca 0.29 0.53 0.31 0.00 0.02 0.00 0.00 54.97 56.12 3cae s GLU 74 Cb 0.09 -1.93 1.42 0.00 0.10 0.00 0.00 34.13 33.82 3cae s GLU 74 CO -0.11 -1.58 1.64 1.03 0.02 0.00 0.00 175.26 176.26 3cae h SER 75 N -1.06 0.23 0.06 -0.19 0.87 -1.99 0.94 113.55 112.41 3cae h SER 75 Ca -0.47 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3cae h SER 75 Cb 1.28 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3cae h SER 75 CO 0.61 -0.13 -0.03 0.44 -0.53 0.00 0.00 176.83 177.19 3cae h ASP 76 N 0.11 -0.06 0.31 6.23 3.32 -2.00 -0.03 116.42 124.29 3cae h ASP 76 Ca 0.79 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 57.50 3cae h ASP 76 Cb 2.54 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 42.10 3cae h ASP 76 CO -0.36 0.20 -0.45 -0.78 -1.72 0.00 0.00 179.24 176.14 3cae h ASP 77 N -0.33 0.18 0.04 6.45 -0.00 -1.24 -2.55 116.42 118.97 3cae h ASP 77 Ca -0.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.03 56.94 3cae h ASP 77 Cb 0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 3cae h ASP 77 CO 0.01 0.61 -0.02 0.03 -0.00 0.00 0.00 179.24 179.87 3cae h ARG 78 N 0.14 -0.05 -0.17 0.28 3.08 -0.91 -2.14 114.38 114.61 3cae h ARG 78 Ca 0.01 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3cae h ARG 78 Cb 0.85 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 3cae h ARG 78 CO 0.07 0.16 -0.12 0.87 -1.07 0.00 0.00 179.97 179.87 3cae h LYS 79 N -0.26 -0.12 -0.99 0.04 1.57 -0.89 -0.96 116.57 114.97 3cae h LYS 79 Ca -0.01 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3cae h LYS 79 Cb 0.23 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 3cae h LYS 79 CO 0.01 -0.08 0.60 -0.22 -0.57 0.00 0.00 179.45 179.19 3cae h LYS 80 N -0.12 0.82 -0.10 3.15 3.64 -1.42 0.21 116.57 122.74 3cae h LYS 80 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3cae h LYS 80 Cb 0.27 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3cae h LYS 80 CO -0.24 0.54 0.03 1.25 -2.27 0.00 0.00 179.45 178.76 3cae h HIS 81 N 0.84 0.17 -0.62 1.91 2.76 -0.52 -0.72 115.15 118.97 3cae h HIS 81 Ca 0.54 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.66 3cae h HIS 81 Cb 0.72 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 3cae h HIS 81 CO -0.01 0.32 0.27 -0.07 -1.30 0.00 0.00 177.93 177.14 3cae h LEU 82 N -0.03 0.80 0.80 0.26 3.38 -0.29 -0.86 115.31 119.37 3cae h LEU 82 Ca 0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3cae h LEU 82 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3cae h LEU 82 CO -0.00 0.70 -0.42 0.25 0.09 0.00 0.00 178.44 179.06 3cae h LEU 83 N 0.88 -1.03 -1.47 1.67 6.46 -0.38 -0.70 115.31 120.75 3cae h LEU 83 Ca 0.21 0.05 0.20 0.00 -0.12 0.00 0.00 57.88 58.22 3cae h LEU 83 Cb 0.14 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.28 3cae h LEU 83 CO -0.02 -0.69 0.60 0.40 -0.62 0.00 0.00 178.44 178.10 3cae h ILE 84 N -1.12 0.69 -0.18 4.05 2.04 -0.88 0.79 117.51 122.89 3cae h ILE 84 Ca -0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3cae h ILE 84 Cb 0.88 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3cae h ILE 84 CO 0.15 0.08 0.08 -0.09 0.00 0.00 0.00 178.15 178.37 3cae h ARG 85 N 0.44 0.27 0.62 2.37 2.43 -0.45 -0.47 114.38 119.59 3cae h ARG 85 Ca 0.48 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.57 3cae h ARG 85 Cb 1.13 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3cae h ARG 85 CO -0.19 0.33 -0.30 0.93 -1.51 0.00 0.00 179.97 179.23 3cae h GLU 86 N 0.15 -0.80 0.00 0.20 5.08 0.62 -2.81 114.58 117.02 3cae h GLU 86 Ca 0.06 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3cae h GLU 86 Cb 0.16 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cae h GLU 86 CO -0.01 -0.53 -0.15 1.96 -1.00 0.00 0.00 179.01 179.28 3cae h GLN 87 N -0.84 0.00 -2.11 2.33 4.20 -1.35 -3.32 115.11 114.02 3cae h GLN 87 Ca -0.09 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.05 3cae h GLN 87 Cb 0.64 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.01 3cae h GLN 87 CO 0.14 0.15 -0.82 0.72 -0.67 0.00 0.00 178.83 178.35 3cae n HIS 88 N -3.93 1.96 0.23 2.96 8.25 -0.19 -4.91 115.22 119.59 3cae n HIS 88 Ca -0.02 -3.90 0.07 0.00 -0.26 0.00 0.00 57.72 53.61 3cae n HIS 88 Cb 0.24 -0.47 0.54 0.00 1.12 0.00 0.00 29.99 31.42 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 4.01 0.00 0.00 -0.41 0.13 -1.61 -2.55 132.00 131.56 3cae h PRO 89 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3cae h PRO 89 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3cae h PRO 89 CO 0.68 0.22 0.00 -0.85 -0.23 0.00 0.00 178.00 177.82 3cae n GLU 90 N -3.93 0.38 -4.21 0.86 0.00 -1.26 -4.74 120.64 107.74 3cae n GLU 90 Ca -0.02 0.05 -0.34 0.00 0.00 0.00 0.00 57.16 56.85 3cae n GLU 90 Cb 0.31 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.13 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 -2.21 3.43 -0.56 -1.84 1.43 -0.96 -4.90 118.68 113.06 3cae s LEU 91 Ca 0.19 -0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 3cae s LEU 91 Cb 0.10 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.53 3cae s LEU 91 CO 0.19 0.15 0.82 -0.62 0.23 0.00 0.00 176.35 177.12 3cae s ASP 92 N 0.52 6.25 -0.22 2.29 -1.08 -1.26 -5.01 116.67 118.16 3cae s ASP 92 Ca -0.01 -0.76 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 3cae s ASP 92 Cb -0.14 -2.37 0.05 0.00 -1.46 0.00 0.00 42.92 39.00 3cae s ASP 92 CO 0.02 -1.15 -0.07 -0.63 0.52 0.00 0.00 175.17 173.85 3cae s ILE 93 N 3.43 1.60 0.41 4.11 1.01 -1.26 -0.40 121.20 130.10 3cae s ILE 93 Ca 0.22 -1.16 0.08 0.00 0.00 0.00 0.00 60.65 59.78 3cae s ILE 93 Cb -0.17 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3cae s ILE 93 CO 0.14 0.00 0.34 -0.13 0.00 0.00 0.00 174.94 175.29 3cae s ARG 94 N 1.38 2.52 -0.02 2.79 0.52 0.18 -4.58 118.95 121.73 3cae s ARG 94 Ca -0.04 -1.54 0.06 0.00 -0.52 0.00 0.00 55.73 53.68 3cae s ARG 94 Cb -0.18 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 3cae s ARG 94 CO -0.07 -0.15 -0.19 0.42 0.02 0.00 0.00 175.30 175.34 3cae s ILE 95 N -2.47 1.50 -0.36 1.52 1.01 -0.75 -0.71 121.20 120.94 3cae s ILE 95 Ca 0.46 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3cae s ILE 95 Cb -0.03 -1.25 0.09 0.00 0.01 0.00 0.00 42.46 41.28 3cae s ILE 95 CO 0.27 0.43 0.12 -0.69 0.00 0.00 0.00 174.94 175.06 3cae s VAL 96 N -0.39 3.02 0.41 2.92 1.01 -0.30 -0.79 120.40 126.29 3cae s VAL 96 Ca 0.06 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.02 3cae s VAL 96 Cb -0.08 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 3cae s VAL 96 CO -0.00 -0.50 0.79 -0.36 0.00 0.00 0.00 175.10 175.03 3cae s PHE 97 N 1.13 3.46 0.28 5.22 0.40 -0.37 -0.82 117.98 127.29 3cae s PHE 97 Ca 0.05 1.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.51 3cae s PHE 97 Cb -0.21 -2.49 0.41 0.00 0.51 0.00 0.00 43.02 41.24 3cae s PHE 97 CO -0.04 -0.12 1.71 0.77 0.70 0.00 0.00 175.22 178.24 3cae h SER 98 N 1.27 0.45 -0.95 1.36 0.02 -1.27 0.21 113.55 114.65 3cae h SER 98 Ca -0.47 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.36 3cae h SER 98 Cb 1.19 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.40 3cae h SER 98 CO 0.64 0.72 -0.36 -0.55 -1.14 0.00 0.00 176.83 176.14 3cae s SER 99 N -6.83 -1.56 0.39 3.07 0.15 -1.26 -4.05 113.70 103.60 3cae s SER 99 Ca -0.06 0.18 0.26 0.00 0.70 0.00 0.00 55.95 57.02 3cae s SER 99 Cb 0.14 1.99 1.41 0.00 -1.71 0.00 0.00 66.02 67.84 3cae s SER 99 CO 0.79 -0.28 1.81 0.77 1.20 0.00 0.00 173.24 177.52 3cae h SER 100 N 7.94 0.00 0.67 5.45 4.64 -1.84 0.32 113.55 130.73 3cae h SER 100 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3cae h SER 100 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3cae h SER 100 CO 0.13 0.00 -0.05 0.03 -0.87 0.00 0.00 176.83 176.08 3cae h ARG 101 N 0.00 0.00 -6.41 4.77 3.08 -1.96 -2.08 114.38 111.78 3cae h ARG 101 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3cae h ARG 101 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.10 3cae h ARG 101 CO 0.00 0.05 1.09 0.99 -1.07 0.00 0.00 179.97 181.02 3cae s THR 102 N -3.87 3.04 0.75 2.04 2.01 0.10 -4.76 115.64 114.96 3cae s THR 102 Ca -0.01 0.35 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 3cae s THR 102 Cb 0.11 -3.22 0.05 0.00 0.01 0.00 0.00 72.50 69.45 3cae s THR 102 CO 0.53 -0.01 1.21 -0.54 -0.69 0.00 0.00 174.62 175.12 3cae s LYS 103 N 3.30 1.98 0.31 4.92 -0.14 -1.26 -1.04 119.74 127.82 3cae s LYS 103 Ca 0.78 1.75 0.07 0.00 -1.36 0.00 0.00 55.97 57.21 3cae s LYS 103 Cb -0.40 -1.82 0.81 0.00 -1.68 0.00 0.00 37.83 34.74 3cae s LYS 103 CO 0.34 -1.95 1.73 -0.07 -0.76 0.00 0.00 175.35 174.64 3cae h LEU 104 N -0.50 0.60 -7.00 3.17 3.38 -1.37 -3.43 115.31 110.16 3cae h LEU 104 Ca -0.47 0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.68 3cae h LEU 104 Cb 1.30 0.05 -0.19 0.00 0.09 0.00 0.00 40.66 41.91 3cae h LEU 104 CO 0.49 0.10 0.42 -0.72 0.09 0.00 0.00 178.44 178.82 3cae s TYR 105 N -5.82 -0.44 -0.06 1.13 -0.85 -1.26 -4.76 117.35 105.28 3cae s TYR 105 Ca -0.11 0.59 -0.37 0.00 -0.52 0.00 0.00 57.07 56.66 3cae s TYR 105 Cb 0.26 0.48 -0.15 0.00 0.38 0.00 0.00 41.96 42.93 3cae s TYR 105 CO 0.79 -0.51 1.60 1.63 -1.52 0.00 0.00 175.55 177.54 3cae n LYS 106 N 0.37 1.44 0.00 -3.49 4.76 -1.26 -1.20 118.16 118.78 3cae n LYS 106 Ca -0.12 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 3cae n LYS 106 Cb 0.60 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 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 3.53 2.75 3.75 0.72 0.00 -1.26 -5.06 105.19 109.63 3cae n GLY 107 Ca 0.22 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3cae n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cae n SER 108 N 0.33 3.43 -0.05 1.61 2.88 -0.34 -4.86 113.62 116.62 3cae n SER 108 Ca 0.00 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.88 3cae n SER 108 Cb 0.00 -1.59 0.68 0.00 -0.75 0.00 0.00 64.21 62.55 3cae n SER 108 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3cae n PRO 109 N 0.30 0.51 -3.88 -1.46 -0.04 -1.26 -4.83 135.00 124.33 3cae n PRO 109 Ca 0.03 -0.09 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 3cae n PRO 109 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.56 5.29 0.34 0.52 2.01 -1.26 -5.05 115.64 114.93 3cae s THR 110 Ca 0.28 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3cae s THR 110 Cb 0.20 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 3cae s THR 110 CO 0.48 -0.12 0.05 -0.94 -0.69 0.00 0.00 174.62 173.39 3cae s SER 111 N -3.24 2.63 0.26 3.53 1.04 -1.26 -1.14 113.70 115.52 3cae s SER 111 Ca 0.35 -1.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 3cae s SER 111 Cb -0.11 -0.14 0.47 0.00 0.10 0.00 0.00 66.02 66.34 3cae s SER 111 CO 0.29 -0.57 1.83 1.88 0.98 0.00 0.00 173.24 177.65 3cae h TYR 112 N 2.07 1.03 0.69 5.02 0.99 -0.85 -0.07 116.97 125.85 3cae h TYR 112 Ca -0.41 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.31 3cae h TYR 112 Cb 1.24 -0.32 0.01 0.00 1.00 0.00 0.00 36.73 38.66 3cae h TYR 112 CO 0.61 0.42 -0.33 0.78 -0.00 0.00 0.00 178.16 179.64 3cae h GLY 113 N 0.93 -0.97 0.77 3.88 0.00 -1.65 -0.96 103.07 105.06 3cae h GLY 113 Ca 0.45 0.36 0.05 0.00 0.00 0.00 0.00 47.33 48.19 3cae h GLY 113 CO -0.25 -0.35 0.44 0.83 0.00 0.00 0.00 176.54 177.20 3cae h GLU 114 N -1.02 0.80 0.08 4.80 5.08 -1.78 0.23 114.58 122.77 3cae h GLU 114 Ca -0.10 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3cae h GLU 114 Cb 0.74 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 3cae h GLU 114 CO 0.16 0.53 -0.38 0.35 -1.00 0.00 0.00 179.01 178.67 3cae h PHE 115 N 0.82 -1.05 -1.00 4.33 3.57 -0.91 0.12 116.94 122.83 3cae h PHE 115 Ca 0.31 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.91 3cae h PHE 115 Cb 0.11 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 3cae h PHE 115 CO -0.05 -0.47 0.64 0.00 -2.23 0.00 0.00 178.31 176.20 3cae h GLU 117 N 1.15 0.25 -0.50 0.00 5.08 0.37 -0.33 114.58 120.60 3cae h GLU 117 Ca 0.44 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 3cae h GLU 117 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3cae h GLU 117 CO -0.18 0.16 0.15 -0.22 -1.00 0.00 0.00 179.01 177.93 3cae h LYS 118 N 0.26 0.75 -0.29 2.33 3.64 0.10 -2.94 116.57 120.42 3cae h LYS 118 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3cae h LYS 118 Cb 0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3cae h LYS 118 CO -0.07 0.65 0.00 0.72 -2.27 0.00 0.00 179.45 178.49 3cae n HIS 119 N -4.31 0.37 -0.48 1.91 8.25 -0.49 -4.93 115.22 115.54 3cae n HIS 119 Ca 0.04 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3cae n HIS 119 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 1.20 1.97 3.66 -1.41 0.00 -0.32 -4.98 105.19 105.30 3cae n GLY 120 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.46 3.58 -0.34 -0.61 1.01 -0.29 -4.95 121.20 116.15 3cae s ILE 121 Ca 0.00 0.70 -0.28 0.00 0.00 0.00 0.00 60.65 61.07 3cae s ILE 121 Cb 0.00 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 39.03 3cae s ILE 121 CO 0.00 -0.07 1.04 -0.54 0.00 0.00 0.00 174.94 175.37 3cae s LYS 122 N 4.06 4.01 0.39 2.79 1.02 -1.26 -4.26 119.74 126.48 3cae s LYS 122 Ca 0.73 0.94 0.08 0.00 0.02 0.00 0.00 55.97 57.74 3cae s LYS 122 Cb -0.33 -3.76 -0.08 0.00 -0.52 0.00 0.00 37.83 33.15 3cae s LYS 122 CO 0.30 -0.93 -0.02 -0.59 -0.92 0.00 0.00 175.35 173.19 3cae s PHE 123 N 3.64 2.46 0.29 3.18 -0.12 -1.26 -1.81 117.98 124.36 3cae s PHE 123 Ca 0.44 -0.64 -0.12 0.00 -0.05 0.00 0.00 56.93 56.56 3cae s PHE 123 Cb -0.12 -1.65 0.01 0.00 -0.63 0.00 0.00 43.02 40.63 3cae s PHE 123 CO 0.17 0.47 0.54 0.00 -0.05 0.00 0.00 175.22 176.34 3cae s ALA 124 N -2.71 -0.18 -0.05 1.99 0.00 0.03 -4.93 121.76 115.91 3cae s ALA 124 Ca 0.34 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3cae s ALA 124 Cb 0.08 1.02 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 3cae s ALA 124 CO 0.17 -0.88 -0.15 -0.51 0.00 0.00 0.00 175.76 174.40 3cae s ASP 125 N -3.06 3.97 0.00 0.00 1.01 -1.26 -1.23 116.67 116.09 3cae s ASP 125 Ca 0.22 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.26 3cae s ASP 125 Cb -0.02 -0.85 0.00 0.00 1.01 0.00 0.00 42.92 43.06 3cae s ASP 125 CO 0.12 0.34 0.00 0.29 0.21 0.00 0.00 175.17 176.12 3cae n LYS 126 N 2.37 0.00 -4.14 8.23 5.02 0.75 -4.74 118.16 125.65 3cae n LYS 126 Ca -0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.03 3cae n LYS 126 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 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 2.09 -0.49 -0.35 2.01 -1.26 -4.95 118.68 115.73 3cae s LEU 127 Ca 0.00 -1.13 -0.28 0.00 0.01 0.00 0.00 54.13 52.73 3cae s LEU 127 Cb 0.00 0.20 0.00 0.00 0.01 0.00 0.00 46.19 46.41 3cae s LEU 127 CO 0.00 -0.65 1.56 -0.63 1.01 0.00 0.00 176.35 177.64 3cae s ILE 128 N -3.94 3.68 0.21 -0.59 1.01 -1.26 -4.94 121.20 115.37 3cae s ILE 128 Ca 0.18 0.62 -0.27 0.00 0.00 0.00 0.00 60.65 61.17 3cae s ILE 128 Cb 0.07 -4.14 -0.17 0.00 0.01 0.00 0.00 42.46 38.24 3cae s ILE 128 CO -0.02 -0.87 0.49 -2.65 0.00 0.00 0.00 174.94 171.89 3cae n PRO 129 N 8.55 0.00 0.22 2.79 -0.02 -1.26 -4.84 135.00 140.45 3cae n PRO 129 Ca 0.17 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.73 3cae n PRO 129 Cb 0.49 -0.99 0.53 0.00 -0.02 0.00 0.00 33.50 33.50 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 0.95 1.33 0.16 3.55 0.00 -1.99 -2.93 119.26 120.32 3cae h ALA 130 Ca -0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3cae h ALA 130 Cb 1.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3cae h ALA 130 CO 0.56 0.29 -0.08 0.93 0.00 0.00 0.00 179.25 180.96 3cae h GLU 131 N 0.00 -0.21 0.15 0.00 4.39 -2.00 -2.13 114.58 114.79 3cae h GLU 131 Ca -0.00 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3cae h GLU 131 Cb 0.51 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 3cae h GLU 131 CO 0.03 0.01 -0.46 -1.49 -1.16 0.00 0.00 179.01 175.94 3cae h TRP 132 N -0.39 -1.32 -0.91 4.33 4.06 -1.88 -0.71 115.95 119.13 3cae h TRP 132 Ca -0.02 0.03 0.26 0.00 2.06 0.00 0.00 58.89 61.22 3cae h TRP 132 Cb 0.31 0.56 -0.04 0.00 -1.00 0.00 0.00 29.16 28.99 3cae h TRP 132 CO -0.01 -0.56 0.71 0.82 -3.56 0.00 0.00 178.44 175.84 3cae h ILE 133 N -0.71 0.44 0.01 1.49 2.04 -1.46 0.00 117.51 119.32 3cae h ILE 133 Ca 0.01 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.60 3cae h ILE 133 Cb 0.72 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3cae h ILE 133 CO -0.25 0.00 -1.43 0.11 0.00 0.00 0.00 178.15 176.58 3cae h LYS 134 N 0.00 0.02 -5.85 2.37 1.57 -0.47 -3.47 116.57 110.74 3cae h LYS 134 Ca 0.43 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 58.51 3cae h LYS 134 Cb 1.84 0.02 0.10 0.00 0.08 0.00 0.00 32.23 34.27 3cae h LYS 134 CO -0.00 0.75 -0.49 0.39 -0.57 0.00 0.00 179.45 179.52 3cae n GLU 135 N -3.20 0.00 -1.72 3.15 1.02 -0.02 -4.78 120.64 115.09 3cae n GLU 135 Ca -0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 3cae n GLU 135 Cb 1.01 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.40 3cae n GLU 135 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3cae s PRO 136 N -0.93 4.14 0.59 3.49 0.04 -1.26 -4.80 135.00 136.27 3cae s PRO 136 Ca 0.64 2.57 -0.18 0.00 0.04 0.00 0.00 61.00 64.07 3cae s PRO 136 Cb -0.92 -3.80 -0.09 0.00 0.04 0.00 0.00 34.50 29.74 3cae s PRO 136 CO 0.55 -0.87 0.43 1.17 0.04 0.00 0.00 177.00 178.31 3cae n LYS 137 N 6.34 0.41 -3.85 4.56 4.81 -1.26 -4.99 118.16 124.18 3cae n LYS 137 Ca 0.18 0.16 -0.12 0.00 -0.87 0.00 0.00 58.31 57.67 3cae n LYS 137 Cb 0.39 -1.62 -0.12 0.00 0.02 0.00 0.00 35.03 33.70 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 -2.05 0.26 0.67 1.64 -2.85 0.02 -5.02 119.74 112.42 3cae s LYS 138 Ca 0.66 -0.03 -0.17 0.00 -1.00 0.00 0.00 55.97 55.43 3cae s LYS 138 Cb -0.43 0.12 -0.00 0.00 -2.06 0.00 0.00 37.83 35.45 3cae s LYS 138 CO 0.57 -0.05 1.20 0.39 0.10 0.00 0.00 175.35 177.56 3cae n GLU 139 N 2.47 0.89 -5.14 1.78 -0.58 -1.26 -4.33 120.64 114.48 3cae n GLU 139 Ca -0.16 0.36 -0.32 0.00 -0.42 0.00 0.00 57.16 56.62 3cae n GLU 139 Cb 0.58 -2.44 -0.16 0.00 -0.57 0.00 0.00 31.44 28.85 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 -1.54 2.33 -1.48 2.62 1.01 -1.26 -5.02 120.40 117.05 3cae s VAL 140 Ca 0.80 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3cae s VAL 140 Cb -0.37 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3cae s VAL 140 CO 0.43 0.56 2.46 -0.81 0.00 0.00 0.00 175.10 177.75 3cae n PRO 141 N 3.11 3.47 0.27 2.72 -0.04 -1.26 -4.75 135.00 138.51 3cae n PRO 141 Ca -0.18 -2.69 0.16 0.00 -0.04 0.00 0.00 63.50 60.75 3cae n PRO 141 Cb 0.52 -2.99 0.76 0.00 -0.04 0.00 0.00 33.50 31.75 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 5.44 0.00 0.71 0.54 -1.00 -1.96 0.14 116.94 120.82 3cae h PHE 142 Ca 0.67 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.42 3cae h PHE 142 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 3cae h PHE 142 CO 1.60 0.00 -0.47 -0.44 -1.61 0.00 0.00 178.31 177.39 3cae h ASP 143 N 0.00 -1.20 -0.50 2.17 3.32 -2.04 -1.77 116.42 116.40 3cae h ASP 143 Ca 0.05 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.32 3cae h ASP 143 Cb 0.86 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3cae h ASP 143 CO -0.00 -0.71 0.47 0.03 -1.72 0.00 0.00 179.24 177.31 3cae h ARG 144 N -1.12 0.00 -5.98 3.56 2.47 -1.13 -3.42 114.38 108.76 3cae h ARG 144 Ca -0.09 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.02 3cae h ARG 144 Cb 0.91 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.19 3cae h ARG 144 CO 0.07 0.00 -0.41 -0.51 0.56 0.00 0.00 179.97 179.68 3cae s LEU 145 N -7.76 4.34 -0.11 3.04 1.43 -0.67 -5.10 118.68 113.85 3cae s LEU 145 Ca -0.04 0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3cae s LEU 145 Cb 0.17 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3cae s LEU 145 CO 0.60 0.16 0.07 -0.54 0.23 0.00 0.00 176.35 176.88 3cae s LYS 146 N -2.31 3.30 0.44 1.70 1.02 -1.26 -4.88 119.74 117.75 3cae s LYS 146 Ca 0.34 -0.27 -0.10 0.00 0.02 0.00 0.00 55.97 55.96 3cae s LYS 146 Cb -0.13 -3.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3cae s LYS 146 CO 0.23 0.70 0.80 -0.98 -0.92 0.00 0.00 175.35 175.18 3cae s ARG 147 N -0.82 3.74 0.00 1.68 1.70 -1.26 -5.14 118.95 118.84 3cae s ARG 147 Ca 0.13 0.47 0.12 0.00 -0.47 0.00 0.00 55.73 55.98 3cae s ARG 147 Cb -0.12 -2.35 0.72 0.00 -0.57 0.00 0.00 34.95 32.63 3cae s ARG 147 CO 0.03 -0.11 1.15 0.36 -1.08 0.00 0.00 175.30 175.65