#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 -1.19 0.62 -5.12 0.00 -2.04 0.80 103.07 96.14 3cae h GLY 18 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.97 3cae h GLY 18 CO 0.00 -0.35 -0.01 -2.00 0.00 0.00 0.00 176.54 174.18 3cae h LEU 19 N -0.43 -0.10 -0.59 3.11 5.85 -2.05 0.92 115.31 122.02 3cae h LEU 19 Ca -0.00 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3cae h LEU 19 Cb 0.43 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3cae h LEU 19 CO -0.16 -0.02 0.23 -0.08 -0.34 0.00 0.00 178.44 178.07 3cae h GLU 20 N 0.07 0.41 -0.05 1.25 4.81 -1.94 -0.59 114.58 118.54 3cae h GLU 20 Ca 0.11 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3cae h GLU 20 Cb 0.15 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3cae h GLU 20 CO -0.20 0.27 -0.04 0.22 -0.73 0.00 0.00 179.01 178.54 3cae h ASP 21 N 0.42 0.12 -0.99 1.04 1.82 0.13 -2.30 116.42 116.65 3cae h ASP 21 Ca 0.29 -0.45 0.22 0.00 -0.39 0.00 0.00 57.03 56.70 3cae h ASP 21 Cb 0.33 -0.03 -0.09 0.00 0.68 0.00 0.00 39.33 40.22 3cae h ASP 21 CO -0.28 0.54 0.63 0.11 -1.61 0.00 0.00 179.24 178.63 3cae h LYS 22 N -0.31 0.50 -0.19 0.28 1.57 0.13 -0.56 116.57 117.99 3cae h LYS 22 Ca 0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3cae h LYS 22 Cb 0.50 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3cae h LYS 22 CO 0.01 0.33 -0.17 0.28 -0.57 0.00 0.00 179.45 179.33 3cae h VAL 23 N 0.52 1.33 -0.44 0.50 2.07 -0.92 -1.45 116.25 117.85 3cae h VAL 23 Ca 0.56 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3cae h VAL 23 Cb 1.22 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3cae h VAL 23 CO -0.30 0.40 0.26 0.77 0.02 0.00 0.00 177.57 178.72 3cae h SER 24 N 0.13 0.42 -0.71 0.57 4.64 -0.64 -0.29 113.55 117.66 3cae h SER 24 Ca 0.03 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.45 3cae h SER 24 Cb 0.70 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.64 3cae h SER 24 CO 0.04 0.30 0.35 0.11 -0.87 0.00 0.00 176.83 176.76 3cae h LYS 25 N 0.52 0.57 -0.88 4.77 1.57 -1.10 0.60 116.57 122.64 3cae h LYS 25 Ca 0.18 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3cae h LYS 25 Cb 0.02 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 3cae h LYS 25 CO -0.08 0.38 0.54 0.37 -0.57 0.00 0.00 179.45 180.09 3cae h GLN 26 N 0.59 0.95 -0.28 3.15 4.15 -0.04 0.39 115.11 124.03 3cae h GLN 26 Ca 0.35 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.55 3cae h GLN 26 Cb 0.38 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 3cae h GLN 26 CO -0.28 0.63 -0.48 -0.07 -1.93 0.00 0.00 178.83 176.70 3cae h LEU 27 N 0.98 0.91 -0.73 -2.39 3.38 0.77 -2.92 115.31 115.30 3cae h LEU 27 Ca 0.39 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3cae h LEU 27 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3cae h LEU 27 CO -0.18 1.26 0.14 -0.33 0.09 0.00 0.00 178.44 179.41 3cae h GLU 28 N 0.58 1.10 -0.03 1.13 5.08 0.82 -0.11 114.58 123.15 3cae h GLU 28 Ca 0.02 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3cae h GLU 28 Cb 1.09 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3cae h GLU 28 CO 0.11 0.99 -0.04 0.66 -1.00 0.00 0.00 179.01 179.73 3cae h SER 29 N 1.04 0.04 -0.55 1.42 4.64 -0.21 0.23 113.55 120.16 3cae h SER 29 Ca 0.21 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3cae h SER 29 Cb 0.40 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3cae h SER 29 CO 0.01 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 3cae n LYS 30 N -4.46 2.52 -3.77 4.77 5.02 -0.94 -4.92 118.16 116.39 3cae n LYS 30 Ca -0.02 -2.08 -0.29 0.00 -2.02 0.00 0.00 58.31 53.90 3cae n LYS 30 Cb 0.14 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.28 -0.50 3.65 0.72 0.00 0.82 -4.94 105.19 106.22 3cae n GLY 31 Ca 0.19 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.24 4.89 -1.07 -0.61 -1.09 -0.10 -4.98 121.20 115.00 3cae s ILE 32 Ca 0.61 1.47 -0.19 0.00 -2.23 0.00 0.00 60.65 60.30 3cae s ILE 32 Cb -0.30 -4.07 0.10 0.00 -1.58 0.00 0.00 42.46 36.61 3cae s ILE 32 CO 0.75 -0.02 1.39 -0.75 -1.23 0.00 0.00 174.94 175.08 3cae s LYS 33 N 2.56 3.75 0.49 2.79 2.20 -1.26 -4.57 119.74 125.68 3cae s LYS 33 Ca 0.33 -1.73 0.08 0.00 -0.36 0.00 0.00 55.97 54.30 3cae s LYS 33 Cb -0.16 -5.19 0.04 0.00 -1.51 0.00 0.00 37.83 31.00 3cae s LYS 33 CO 0.09 -2.00 0.60 -0.59 -0.36 0.00 0.00 175.35 173.09 3cae s PHE 34 N 3.52 2.17 -0.12 4.03 -0.12 -1.26 -5.12 117.98 121.08 3cae s PHE 34 Ca 0.42 -0.58 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 3cae s PHE 34 Cb -0.01 -2.24 -0.01 0.00 -0.63 0.00 0.00 43.02 40.12 3cae s PHE 34 CO -0.05 -0.64 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.13 3cae s GLU 35 N -4.42 3.28 -0.27 1.99 2.02 -1.26 -5.11 118.70 114.92 3cae s GLU 35 Ca 0.54 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.70 3cae s GLU 35 Cb -0.07 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 3cae s GLU 35 CO 0.33 0.24 0.23 -0.47 0.02 0.00 0.00 175.26 175.61 3cae s TYR 36 N 0.26 3.23 -1.04 1.61 5.04 -1.26 -4.61 117.35 120.59 3cae s TYR 36 Ca -0.10 0.20 -0.06 0.00 -2.44 0.00 0.00 57.07 54.66 3cae s TYR 36 Cb -0.16 -2.41 0.06 0.00 0.35 0.00 0.00 41.96 39.80 3cae s TYR 36 CO 0.06 -0.16 0.15 0.39 -1.34 0.00 0.00 175.55 174.66 3cae n GLU 37 N 5.05 -0.90 -0.10 4.97 1.02 -1.26 -4.78 120.64 124.64 3cae n GLU 37 Ca -0.13 0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 3cae n GLU 37 Cb 0.52 -2.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.34 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 -2.98 0.64 -3.93 3.49 4.07 -1.26 -4.99 120.64 115.68 3cae n GLU 38 Ca -0.09 0.27 -0.31 0.00 -0.06 0.00 0.00 57.16 56.97 3cae n GLU 38 Cb 0.36 -1.58 -0.04 0.00 -0.06 0.00 0.00 31.44 30.12 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 -2.50 3.49 -0.01 4.31 0.52 -1.26 -5.11 118.94 118.37 3cae s TRP 39 Ca -0.33 0.23 0.07 0.00 0.02 0.00 0.00 56.10 56.10 3cae s TRP 39 Cb 0.10 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3cae s TRP 39 CO 0.60 0.58 -0.24 0.15 0.02 0.00 0.00 176.95 178.06 3cae s LYS 40 N -2.49 1.90 -0.33 4.98 1.02 -1.26 -5.12 119.74 118.45 3cae s LYS 40 Ca 0.34 -0.87 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 3cae s LYS 40 Cb -0.13 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 3cae s LYS 40 CO 0.27 0.51 0.19 0.08 -0.92 0.00 0.00 175.35 175.48 3cae s VAL 41 N -0.58 4.91 -0.12 3.17 1.01 -1.26 -5.06 120.40 122.47 3cae s VAL 41 Ca 0.09 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 3cae s VAL 41 Cb -0.09 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3cae s VAL 41 CO -0.01 0.02 1.03 -2.84 0.00 0.00 0.00 175.10 173.31 3cae s PRO 42 N 1.66 4.39 0.07 2.72 0.02 -1.26 -5.03 135.00 137.58 3cae s PRO 42 Ca 0.05 1.41 -0.04 0.00 0.02 0.00 0.00 61.00 62.44 3cae s PRO 42 Cb -0.17 -3.56 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 3cae s PRO 42 CO 0.08 -0.37 0.06 1.52 -0.33 0.00 0.00 177.00 177.97 3cae s TYR 43 N 2.19 0.39 -0.12 6.54 -0.85 -1.26 -5.15 117.35 119.09 3cae s TYR 43 Ca 0.48 -0.89 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 3cae s TYR 43 Cb -0.18 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 41.88 3cae s TYR 43 CO 0.17 -0.46 -0.13 -1.54 -1.52 0.00 0.00 175.55 172.07 3cae s SER 44 N -2.90 4.00 -0.30 -0.18 1.04 -1.26 -5.08 113.70 109.01 3cae s SER 44 Ca 0.07 -0.32 -0.18 0.00 0.48 0.00 0.00 55.95 56.00 3cae s SER 44 Cb 0.07 -1.56 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 3cae s SER 44 CO -0.10 0.18 0.51 0.21 0.98 0.00 0.00 173.24 175.02 3cae s ASN 45 N 0.27 6.38 -0.60 7.02 3.84 -1.26 -5.03 114.94 125.57 3cae s ASN 45 Ca -0.10 0.30 -0.23 0.00 0.21 0.00 0.00 52.86 53.05 3cae s ASN 45 Cb -0.16 -2.27 0.06 0.00 -0.55 0.00 0.00 41.25 38.33 3cae s ASN 45 CO 0.05 -0.36 0.92 0.54 -2.79 0.00 0.00 177.10 175.46 3cae s ASN 46 N 1.64 6.25 0.41 -4.21 4.22 -1.26 -5.02 114.94 116.97 3cae s ASN 46 Ca 0.20 -0.71 -0.17 0.00 -2.14 0.00 0.00 52.86 50.04 3cae s ASN 46 Cb -0.15 -2.41 -0.09 0.00 1.28 0.00 0.00 41.25 39.87 3cae s ASN 46 CO 0.11 -1.29 0.87 -1.10 -2.04 0.00 0.00 177.10 173.65 3cae s GLN 47 N 3.86 4.03 -0.44 3.55 -0.21 -1.26 -5.03 119.66 124.16 3cae s GLN 47 Ca 0.25 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.48 3cae s GLN 47 Cb -0.15 -2.28 0.12 0.00 1.00 0.00 0.00 33.01 31.70 3cae s GLN 47 CO 0.14 -0.03 0.21 -0.65 -2.12 0.00 0.00 175.29 172.84 3cae s GLN 48 N -3.42 1.94 -0.02 2.91 -0.21 -1.26 -5.07 119.66 114.52 3cae s GLN 48 Ca 0.57 -2.06 -0.21 0.00 0.02 0.00 0.00 55.36 53.68 3cae s GLN 48 Cb -0.10 -3.46 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 3cae s GLN 48 CO 0.21 -1.06 0.60 -0.80 -2.12 0.00 0.00 175.29 172.12 3cae s ASN 49 N 1.08 6.95 -0.33 5.90 0.02 -1.26 -5.03 114.94 122.27 3cae s ASN 49 Ca 0.12 1.13 -0.08 0.00 -1.02 0.00 0.00 52.86 53.01 3cae s ASN 49 Cb -0.22 -2.36 0.03 0.00 0.02 0.00 0.00 41.25 38.72 3cae s ASN 49 CO -0.05 0.07 0.12 -0.31 0.02 0.00 0.00 177.10 176.96 3cae s TYR 50 N -0.00 3.22 -0.17 2.20 1.51 -1.26 -5.06 117.35 117.79 3cae s TYR 50 Ca 0.31 -1.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.09 3cae s TYR 50 Cb -0.18 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 3cae s TYR 50 CO 0.17 -0.66 0.23 -1.12 -1.11 0.00 0.00 175.55 173.06 3cae s SER 51 N 1.47 6.37 0.01 2.29 0.01 -1.26 -5.06 113.70 117.53 3cae s SER 51 Ca 0.01 0.42 -0.22 0.00 1.31 0.00 0.00 55.95 57.47 3cae s SER 51 Cb -0.19 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 3cae s SER 51 CO 0.04 0.15 0.66 -0.94 0.41 0.00 0.00 173.24 173.56 3cae s SER 52 N 0.30 7.06 0.35 2.44 1.04 -1.26 -5.06 113.70 118.57 3cae s SER 52 Ca 0.14 1.26 0.05 0.00 0.48 0.00 0.00 55.95 57.88 3cae s SER 52 Cb -0.12 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 3cae s SER 52 CO 0.02 0.06 0.21 -1.00 0.98 0.00 0.00 173.24 173.51 3cae s HIS 53 N -0.09 1.72 0.14 5.02 3.76 -1.26 -5.18 115.29 119.40 3cae s HIS 53 Ca 0.34 -1.49 0.07 0.00 -0.15 0.00 0.00 55.06 53.83 3cae s HIS 53 Cb -0.19 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 3cae s HIS 53 CO 0.19 -0.62 -0.16 0.95 -0.85 0.00 0.00 174.74 174.25 3cae s THR 54 N -3.41 1.52 -0.04 1.30 -4.23 -1.26 -5.14 115.64 104.38 3cae s THR 54 Ca 0.34 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3cae s THR 54 Cb 0.03 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.23 3cae s THR 54 CO 0.21 -0.38 0.04 -0.47 -0.54 0.00 0.00 174.62 173.49 3cae s TYR 55 N -2.12 0.16 -0.30 3.99 5.04 -1.26 -5.14 117.35 117.72 3cae s TYR 55 Ca 0.12 0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 54.85 3cae s TYR 55 Cb -0.05 -0.49 0.01 0.00 0.35 0.00 0.00 41.96 41.78 3cae s TYR 55 CO 0.04 -0.19 0.08 0.99 -1.34 0.00 0.00 175.55 175.13 3cae s THR 56 N 1.92 3.94 0.97 4.34 2.01 -1.26 -5.09 115.64 122.47 3cae s THR 56 Ca 0.02 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 3cae s THR 56 Cb -0.12 -3.05 0.17 0.00 0.01 0.00 0.00 72.50 69.52 3cae s THR 56 CO -0.03 0.06 1.09 -2.84 -0.69 0.00 0.00 174.62 172.21 3cae s PRO 57 N 1.49 0.62 -0.02 4.92 0.02 -1.26 -4.95 135.00 135.81 3cae s PRO 57 Ca 0.02 0.98 -0.12 0.00 0.02 0.00 0.00 61.00 61.90 3cae s PRO 57 Cb -0.17 -1.72 -0.32 0.00 0.02 0.00 0.00 34.50 32.30 3cae s PRO 57 CO 0.02 -2.73 0.79 -0.44 -0.33 0.00 0.00 177.00 174.32 3cae h ASP 58 N -1.91 0.69 -3.91 2.53 3.32 -1.62 -3.47 116.42 112.04 3cae h ASP 58 Ca -0.51 -0.91 -0.33 0.00 0.02 0.00 0.00 57.03 55.30 3cae h ASP 58 Cb 1.29 -0.22 -0.28 0.00 0.22 0.00 0.00 39.33 40.34 3cae h ASP 58 CO 0.51 1.75 -0.76 -0.36 -1.72 0.00 0.00 179.24 178.66 3cae s PHE 59 N -2.59 0.48 -0.32 4.55 0.40 0.08 -4.99 117.98 115.59 3cae s PHE 59 Ca -0.13 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3cae s PHE 59 Cb 0.05 -0.31 0.07 0.00 0.51 0.00 0.00 43.02 43.34 3cae s PHE 59 CO 0.89 -0.01 0.03 -1.17 0.70 0.00 0.00 175.22 175.66 3cae s LEU 60 N -0.13 4.22 0.63 -0.37 2.96 -1.26 0.11 118.68 124.84 3cae s LEU 60 Ca 0.02 -1.54 -0.16 0.00 -0.22 0.00 0.00 54.13 52.22 3cae s LEU 60 Cb -0.02 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3cae s LEU 60 CO -0.00 -0.32 1.12 -0.76 -1.32 0.00 0.00 176.35 175.06 3cae s LEU 61 N 1.17 3.49 0.49 -0.68 1.43 0.37 -4.92 118.68 120.03 3cae s LEU 61 Ca -0.01 2.07 0.20 0.00 -1.03 0.00 0.00 54.13 55.36 3cae s LEU 61 Cb -0.20 -4.56 1.26 0.00 0.03 0.00 0.00 46.19 42.71 3cae s LEU 61 CO -0.03 -1.54 2.00 -0.65 0.23 0.00 0.00 176.35 176.36 3cae h PRO 62 N 0.34 0.14 -0.52 1.29 0.11 -1.94 -1.10 132.00 130.32 3cae h PRO 62 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cae h PRO 62 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cae h PRO 62 CO 0.55 0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 3cae n ASN 63 N -4.43 0.76 0.00 -2.05 6.94 -1.26 -4.85 115.26 110.37 3cae n ASN 63 Ca 0.09 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 3cae n ASN 63 Cb 0.48 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3cae n ASN 63 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cae n GLY 64 N 0.30 2.64 3.77 4.83 0.00 -0.42 -2.13 105.19 114.17 3cae n GLY 64 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.14 2.83 -0.07 -0.61 1.01 -1.25 -4.67 121.20 116.30 3cae s ILE 65 Ca 0.00 0.66 0.01 0.00 0.00 0.00 0.00 60.65 61.32 3cae s ILE 65 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3cae s ILE 65 CO 0.00 0.03 -0.09 -0.36 0.00 0.00 0.00 174.94 174.52 3cae s PHE 66 N -1.42 2.87 -0.06 3.97 0.40 0.14 -0.48 117.98 123.41 3cae s PHE 66 Ca 0.62 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 3cae s PHE 66 Cb -0.33 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.50 3cae s PHE 66 CO 0.41 0.25 -0.13 0.08 0.70 0.00 0.00 175.22 176.52 3cae s VAL 67 N -0.68 1.19 -0.20 -0.44 1.01 0.12 -0.12 120.40 121.28 3cae s VAL 67 Ca 0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3cae s VAL 67 Cb -0.11 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3cae s VAL 67 CO 0.01 0.36 -0.14 -0.70 0.00 0.00 0.00 175.10 174.63 3cae s GLU 68 N 0.43 3.09 0.21 2.72 2.56 0.12 -0.74 118.70 127.09 3cae s GLU 68 Ca -0.10 -0.78 -0.27 0.00 0.00 0.00 0.00 54.97 53.81 3cae s GLU 68 Cb -0.14 -2.73 -0.09 0.00 2.00 0.00 0.00 34.13 33.17 3cae s GLU 68 CO 0.03 -0.22 0.86 0.95 -0.56 0.00 0.00 175.26 176.32 3cae s THR 69 N 1.35 4.23 -0.11 -1.70 -4.23 -1.26 -0.38 115.64 113.55 3cae s THR 69 Ca 0.05 1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 62.38 3cae s THR 69 Cb -0.14 -4.21 0.05 0.00 1.34 0.00 0.00 72.50 69.55 3cae s THR 69 CO -0.09 0.48 0.24 -0.75 -0.54 0.00 0.00 174.62 173.95 3cae s LYS 70 N -1.24 0.18 0.00 3.99 2.47 0.24 -4.90 119.74 120.48 3cae s LYS 70 Ca 0.39 0.56 0.00 0.00 -1.56 0.00 0.00 55.97 55.36 3cae s LYS 70 Cb -0.24 -0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.01 3cae s LYS 70 CO 0.28 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 176.01 3cae n GLY 71 N 4.50 -0.39 3.84 5.54 0.00 -1.26 -2.87 105.19 114.54 3cae n GLY 71 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.34 4.41 -0.52 0.99 2.96 -1.26 -4.60 118.68 116.32 3cae s LEU 72 Ca 0.00 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.66 3cae s LEU 72 Cb 0.00 -2.37 0.14 0.00 0.50 0.00 0.00 46.19 44.47 3cae s LEU 72 CO 0.00 0.33 0.31 0.86 -1.32 0.00 0.00 176.35 176.53 3cae s TRP 73 N -0.85 2.61 1.02 5.38 -0.00 -1.26 -5.11 118.94 120.73 3cae s TRP 73 Ca 0.20 -2.84 -0.12 0.00 -0.00 0.00 0.00 56.10 53.34 3cae s TRP 73 Cb -0.14 -2.25 0.20 0.00 -0.00 0.00 0.00 33.47 31.27 3cae s TRP 73 CO 0.09 -0.72 1.08 -1.21 -0.00 0.00 0.00 176.95 176.19 3cae s GLU 74 N -0.28 0.25 0.31 5.86 0.41 -1.26 -4.77 118.70 119.21 3cae s GLU 74 Ca 0.21 1.06 -0.00 0.00 -0.41 0.00 0.00 54.97 55.83 3cae s GLU 74 Cb -0.18 -1.67 0.50 0.00 -1.78 0.00 0.00 34.13 31.00 3cae s GLU 74 CO -0.06 -3.00 1.94 1.03 -0.49 0.00 0.00 175.26 174.68 3cae h SER 75 N -2.11 0.82 0.53 -0.19 0.87 -1.99 -0.76 113.55 110.72 3cae h SER 75 Ca -0.53 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 59.95 3cae h SER 75 Cb 1.30 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 3cae h SER 75 CO 0.49 0.65 -0.26 0.44 -0.53 0.00 0.00 176.83 177.62 3cae h ASP 76 N 0.93 -0.61 -0.64 6.23 3.32 -1.99 -1.07 116.42 122.59 3cae h ASP 76 Ca 0.24 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.41 3cae h ASP 76 Cb 0.00 0.16 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 3cae h ASP 76 CO -0.04 -0.38 0.11 -0.78 -1.72 0.00 0.00 179.24 176.43 3cae h ASP 77 N -0.79 -0.06 0.80 6.45 -0.00 -1.81 -0.39 116.42 120.62 3cae h ASP 77 Ca -0.07 0.13 -0.04 0.00 -0.00 0.00 0.00 57.03 57.05 3cae h ASP 77 Cb 0.58 0.19 0.01 0.00 -0.00 0.00 0.00 39.33 40.11 3cae h ASP 77 CO 0.12 -0.03 -0.39 0.03 -0.00 0.00 0.00 179.24 178.97 3cae h ARG 78 N 0.23 -1.04 -0.57 0.28 3.08 -0.91 -0.50 114.38 114.95 3cae h ARG 78 Ca 0.34 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.57 3cae h ARG 78 Cb 0.54 0.24 -0.11 0.00 0.08 0.00 0.00 29.97 30.72 3cae h ARG 78 CO -0.46 -0.69 -0.32 0.87 -1.07 0.00 0.00 179.97 178.29 3cae h LYS 79 N -1.10 -0.16 -0.99 0.04 1.57 -0.87 0.46 116.57 115.52 3cae h LYS 79 Ca -0.11 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.84 3cae h LYS 79 Cb 0.83 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.07 3cae h LYS 79 CO 0.18 -0.11 0.60 -0.22 -0.57 0.00 0.00 179.45 179.33 3cae h LYS 80 N -0.17 0.80 0.77 3.15 3.64 -1.02 0.47 116.57 124.21 3cae h LYS 80 Ca 0.23 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3cae h LYS 80 Cb 0.54 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3cae h LYS 80 CO -0.66 0.53 -0.49 1.25 -2.27 0.00 0.00 179.45 177.81 3cae h HIS 81 N 0.82 -1.32 -1.02 1.91 2.76 0.16 -1.24 115.15 117.23 3cae h HIS 81 Ca 0.54 -0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.97 3cae h HIS 81 Cb 0.74 0.47 -0.13 0.00 1.55 0.00 0.00 27.41 30.05 3cae h HIS 81 CO -0.01 -0.73 0.61 -0.07 -1.30 0.00 0.00 177.93 176.43 3cae h LEU 82 N -1.19 0.60 -0.01 0.26 3.38 0.02 0.11 115.31 118.49 3cae h LEU 82 Ca -0.10 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cae h LEU 82 Cb 0.96 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3cae h LEU 82 CO 0.09 0.04 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 3cae h LEU 83 N 0.48 0.01 -1.72 1.67 3.38 -0.54 -1.46 115.31 117.12 3cae h LEU 83 Ca 0.66 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.58 3cae h LEU 83 Cb 1.41 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 3cae h LEU 83 CO -0.48 0.14 0.33 0.40 0.09 0.00 0.00 178.44 178.92 3cae h ILE 84 N -0.12 0.92 0.22 1.22 2.04 0.38 -0.85 117.51 121.32 3cae h ILE 84 Ca 0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3cae h ILE 84 Cb 0.13 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3cae h ILE 84 CO -0.00 0.06 -0.11 0.03 0.00 0.00 0.00 178.15 178.13 3cae h ARG 85 N 0.33 -0.28 -0.26 2.37 3.08 -0.85 -1.63 114.38 117.14 3cae h ARG 85 Ca 0.22 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.35 3cae h ARG 85 Cb 0.45 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 3cae h ARG 85 CO -0.05 0.10 -0.15 0.93 -1.07 0.00 0.00 179.97 179.72 3cae h GLU 86 N -0.81 -0.13 0.00 0.04 5.08 -0.76 -2.50 114.58 115.50 3cae h GLU 86 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3cae h GLU 86 Cb 0.51 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3cae h GLU 86 CO 0.05 -0.08 0.00 1.96 -1.00 0.00 0.00 179.01 179.93 3cae h GLN 87 N -0.13 0.00 -2.02 2.33 4.20 -1.26 -3.38 115.11 114.85 3cae h GLN 87 Ca 0.14 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.33 3cae h GLN 87 Cb 0.34 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.73 3cae h GLN 87 CO -0.34 0.00 -1.12 0.72 -0.67 0.00 0.00 178.83 177.42 3cae n HIS 88 N -2.82 0.35 0.19 2.96 8.25 -0.61 -4.93 115.22 118.61 3cae n HIS 88 Ca 0.03 -3.76 0.02 0.00 -0.26 0.00 0.00 57.72 53.75 3cae n HIS 88 Cb 0.38 -0.41 0.10 0.00 1.12 0.00 0.00 29.99 31.18 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 0.63 0.05 0.00 -0.41 -0.04 -1.09 -1.43 135.00 132.72 3cae n PRO 89 Ca 0.24 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 3cae n PRO 89 Cb 0.59 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.32 0.23 -4.02 0.54 0.00 -1.26 -4.86 120.64 109.94 3cae n GLU 90 Ca 0.02 -0.11 -0.35 0.00 0.00 0.00 0.00 57.16 56.73 3cae n GLU 90 Cb 0.04 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.91 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 -2.85 4.13 -0.43 -1.84 1.43 -0.51 -4.95 118.68 113.67 3cae s LEU 91 Ca 0.16 0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 3cae s LEU 91 Cb 0.18 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.25 3cae s LEU 91 CO 0.61 0.33 0.29 -0.62 0.23 0.00 0.00 176.35 177.18 3cae s ASP 92 N -1.45 5.72 -0.22 2.29 -1.08 -1.26 -5.04 116.67 115.63 3cae s ASP 92 Ca 0.20 -1.52 0.01 0.00 -0.52 0.00 0.00 52.55 50.72 3cae s ASP 92 Cb -0.12 -2.02 0.03 0.00 -1.46 0.00 0.00 42.92 39.35 3cae s ASP 92 CO 0.10 -0.57 -0.14 -0.63 0.52 0.00 0.00 175.17 174.45 3cae s ILE 93 N 1.45 2.31 0.27 4.11 1.01 -1.26 0.25 121.20 129.34 3cae s ILE 93 Ca 0.03 -1.12 0.11 0.00 0.00 0.00 0.00 60.65 59.67 3cae s ILE 93 Cb -0.24 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 3cae s ILE 93 CO 0.02 0.32 -0.11 -0.13 0.00 0.00 0.00 174.94 175.04 3cae s ARG 94 N 1.26 1.96 -0.10 2.79 0.52 0.82 -4.68 118.95 121.52 3cae s ARG 94 Ca 0.00 -1.60 0.04 0.00 -0.52 0.00 0.00 55.73 53.65 3cae s ARG 94 Cb -0.16 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.36 3cae s ARG 94 CO -0.09 0.35 -0.22 0.42 0.02 0.00 0.00 175.30 175.78 3cae s ILE 95 N -2.40 2.26 -0.22 1.52 1.01 -0.13 0.12 121.20 123.36 3cae s ILE 95 Ca 0.30 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 3cae s ILE 95 Cb -0.06 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3cae s ILE 95 CO 0.17 0.56 0.07 -0.69 0.00 0.00 0.00 174.94 175.05 3cae s VAL 96 N 0.26 4.53 0.29 2.92 1.01 0.49 -0.78 120.40 129.12 3cae s VAL 96 Ca -0.15 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3cae s VAL 96 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3cae s VAL 96 CO 0.08 0.38 0.26 -0.36 0.00 0.00 0.00 175.10 175.46 3cae s PHE 97 N 1.10 3.04 -0.04 5.22 2.99 0.46 -0.59 117.98 130.16 3cae s PHE 97 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 56.93 56.77 3cae s PHE 97 Cb -0.14 -1.61 -0.26 0.00 0.00 0.00 0.00 43.02 41.01 3cae s PHE 97 CO 0.03 0.35 0.68 0.77 -0.00 0.00 0.00 175.22 177.05 3cae h SER 98 N 1.34 0.31 -1.86 1.36 0.02 -1.78 1.49 113.55 114.44 3cae h SER 98 Ca -0.47 -0.54 -0.37 0.00 -0.84 0.00 0.00 61.79 59.56 3cae h SER 98 Cb 1.25 -0.10 -0.30 0.00 0.14 0.00 0.00 62.40 63.39 3cae h SER 98 CO 0.59 1.47 -0.71 -0.55 -1.14 0.00 0.00 176.83 176.49 3cae s SER 99 N -6.81 0.71 0.27 3.07 0.15 -1.26 -4.38 113.70 105.45 3cae s SER 99 Ca -0.12 -1.93 0.15 0.00 0.70 0.00 0.00 55.95 54.75 3cae s SER 99 Cb 0.07 0.60 0.79 0.00 -1.71 0.00 0.00 66.02 65.77 3cae s SER 99 CO 0.82 -0.20 1.39 -1.54 1.20 0.00 0.00 173.24 174.91 3cae n SER 100 N 3.71 0.38 0.17 5.45 3.41 -1.26 0.32 113.62 125.80 3cae n SER 100 Ca 0.17 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 3cae n SER 100 Cb 0.48 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 64.04 3cae n SER 100 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3cae h ARG 101 N 0.00 0.00 -6.62 4.33 3.08 -1.97 -0.58 114.38 112.62 3cae h ARG 101 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3cae h ARG 101 Cb 0.27 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.44 3cae h ARG 101 CO 0.00 0.00 0.29 2.41 -1.07 0.00 0.00 179.97 181.60 3cae n THR 102 N -2.79 2.09 -3.17 2.04 -1.04 0.15 -4.69 114.28 106.88 3cae n THR 102 Ca 0.04 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.16 3cae n THR 102 Cb 0.50 -1.26 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 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 -1.78 4.33 0.17 -2.82 -0.14 -1.26 -1.00 119.74 117.24 3cae s LYS 103 Ca 0.58 0.86 -0.28 0.00 -1.36 0.00 0.00 55.97 55.78 3cae s LYS 103 Cb -0.62 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.27 3cae s LYS 103 CO 0.60 0.55 1.55 -0.07 -0.76 0.00 0.00 175.35 177.22 3cae h LEU 104 N 4.75 -1.87 -8.16 3.17 3.38 -0.86 -3.40 115.31 112.32 3cae h LEU 104 Ca -0.48 0.30 -0.46 0.00 0.09 0.00 0.00 57.88 57.34 3cae h LEU 104 Cb 1.21 0.85 -0.29 0.00 0.09 0.00 0.00 40.66 42.52 3cae h LEU 104 CO 0.66 -0.28 -0.80 -0.31 0.09 0.00 0.00 178.44 177.79 3cae s TYR 105 N -5.67 1.12 0.03 1.13 2.02 -1.26 -4.96 117.35 109.77 3cae s TYR 105 Ca -0.13 -0.22 -0.37 0.00 -0.37 0.00 0.00 57.07 55.99 3cae s TYR 105 Cb 0.13 -0.72 -0.16 0.00 -0.40 0.00 0.00 41.96 40.81 3cae s TYR 105 CO 0.65 -0.02 1.48 1.17 -1.57 0.00 0.00 175.55 177.26 3cae n LYS 106 N 2.75 1.39 0.00 -0.62 0.00 -1.26 -0.57 118.16 119.85 3cae n LYS 106 Ca -0.14 0.50 0.00 0.00 0.00 0.00 0.00 58.31 58.67 3cae n LYS 106 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.40 3cae n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cae n GLY 107 N 3.05 3.31 3.76 3.14 0.00 -1.26 -5.05 105.19 112.14 3cae n GLY 107 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.51 5.36 0.00 1.61 0.15 0.27 -4.94 113.70 115.64 3cae s SER 108 Ca 0.00 2.25 0.27 0.00 0.70 0.00 0.00 55.95 59.17 3cae s SER 108 Cb 0.00 -2.58 0.81 0.00 -1.71 0.00 0.00 66.02 62.54 3cae s SER 108 CO 0.00 -1.47 1.61 -0.81 1.20 0.00 0.00 173.24 173.78 3cae n PRO 109 N -1.61 0.27 -4.10 5.44 -0.04 -1.26 -4.83 135.00 128.87 3cae n PRO 109 Ca 0.12 -0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 3cae n PRO 109 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.82 4.59 0.56 0.52 2.01 -1.26 -5.04 115.64 114.19 3cae s THR 110 Ca 0.17 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.11 3cae s THR 110 Cb 0.19 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.70 3cae s THR 110 CO 0.60 0.47 0.77 -0.94 -0.69 0.00 0.00 174.62 174.83 3cae s SER 111 N 0.33 5.15 0.21 3.53 1.04 -1.26 -0.21 113.70 122.49 3cae s SER 111 Ca 0.02 -0.41 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 3cae s SER 111 Cb -0.13 -0.34 0.15 0.00 0.10 0.00 0.00 66.02 65.80 3cae s SER 111 CO 0.01 -1.24 1.82 1.88 0.98 0.00 0.00 173.24 176.69 3cae h TYR 112 N 0.13 1.06 0.80 5.02 0.99 -0.98 -1.75 116.97 122.24 3cae h TYR 112 Ca -0.37 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.29 3cae h TYR 112 Cb 1.28 -0.34 0.01 0.00 1.00 0.00 0.00 36.73 38.68 3cae h TYR 112 CO 0.28 0.75 -0.38 0.78 -0.00 0.00 0.00 178.16 179.59 3cae h GLY 113 N 1.07 -1.12 0.31 3.88 0.00 -1.36 -1.08 103.07 104.77 3cae h GLY 113 Ca 0.27 0.41 0.04 0.00 0.00 0.00 0.00 47.33 48.05 3cae h GLY 113 CO -0.04 -0.41 -0.30 0.83 0.00 0.00 0.00 176.54 176.63 3cae h GLU 114 N -1.09 -0.41 -0.85 4.80 5.08 -1.78 0.56 114.58 120.89 3cae h GLU 114 Ca -0.11 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.52 3cae h GLU 114 Cb 0.82 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3cae h GLU 114 CO 0.18 -0.27 0.60 0.35 -1.00 0.00 0.00 179.01 178.87 3cae h PHE 115 N -0.43 0.08 -0.14 4.33 3.57 -1.31 0.29 116.94 123.34 3cae h PHE 115 Ca 0.07 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3cae h PHE 115 Cb 0.53 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3cae h PHE 115 CO -0.34 0.02 -0.43 0.00 -2.23 0.00 0.00 178.31 175.33 3cae h GLU 117 N 0.15 0.41 -0.33 0.00 5.08 0.21 0.26 114.58 120.37 3cae h GLU 117 Ca -0.01 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3cae h GLU 117 Cb 1.05 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 3cae h GLU 117 CO 0.09 0.28 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.68 3cae h LYS 118 N 0.42 -0.39 -0.82 2.33 3.64 -0.75 0.46 116.57 121.46 3cae h LYS 118 Ca 0.11 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3cae h LYS 118 Cb -0.04 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3cae h LYS 118 CO -0.02 -0.26 0.09 0.72 -2.27 0.00 0.00 179.45 177.71 3cae n HIS 119 N -5.41 1.31 -3.60 1.91 8.25 -1.14 -4.93 115.22 111.60 3cae n HIS 119 Ca -0.03 -0.61 -0.27 0.00 -0.26 0.00 0.00 57.72 56.55 3cae n HIS 119 Cb 0.36 -0.41 0.04 0.00 1.12 0.00 0.00 29.99 31.09 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 0.16 -1.07 3.35 -1.41 0.00 0.15 -5.00 105.19 101.38 3cae n GLY 120 Ca 0.20 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.36 2.98 -0.10 -0.61 1.01 0.84 -5.01 121.20 116.95 3cae s ILE 121 Ca 0.38 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 3cae s ILE 121 Cb -0.13 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3cae s ILE 121 CO 0.85 0.52 1.03 -0.54 0.00 0.00 0.00 174.94 176.80 3cae s LYS 122 N 0.39 4.42 0.19 2.79 1.02 -1.26 -4.46 119.74 122.82 3cae s LYS 122 Ca -0.11 1.43 -0.01 0.00 0.02 0.00 0.00 55.97 57.30 3cae s LYS 122 Cb -0.16 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 3cae s LYS 122 CO 0.05 -0.33 0.12 -0.59 -0.92 0.00 0.00 175.35 173.69 3cae s PHE 123 N 2.02 1.08 0.22 3.18 -0.12 -1.26 -0.96 117.98 122.15 3cae s PHE 123 Ca 0.49 -1.33 -0.21 0.00 -0.05 0.00 0.00 56.93 55.83 3cae s PHE 123 Cb -0.19 -0.53 0.04 0.00 -0.63 0.00 0.00 43.02 41.71 3cae s PHE 123 CO 0.19 -0.62 0.63 0.00 -0.05 0.00 0.00 175.22 175.37 3cae s ALA 124 N -4.13 -1.28 -0.06 1.99 0.00 0.04 -4.94 121.76 113.37 3cae s ALA 124 Ca 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 3cae s ALA 124 Cb 0.07 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 3cae s ALA 124 CO 0.10 -0.89 0.05 -0.51 0.00 0.00 0.00 175.76 174.50 3cae s ASP 125 N -2.85 5.55 0.00 0.00 -0.00 -1.26 0.17 116.67 118.29 3cae s ASP 125 Ca 0.07 0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 3cae s ASP 125 Cb -0.03 -1.61 0.00 0.00 -0.00 0.00 0.00 42.92 41.28 3cae s ASP 125 CO -0.02 0.35 0.00 0.29 -0.00 0.00 0.00 175.17 175.79 3cae n LYS 126 N 1.78 0.00 -3.95 8.23 5.02 0.51 -4.75 118.16 125.00 3cae n LYS 126 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 3cae n LYS 126 Cb 0.54 -0.17 -0.10 0.00 -0.02 0.00 0.00 35.03 35.28 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 1.97 0.03 -0.35 2.01 -1.26 -4.96 118.68 116.11 3cae s LEU 127 Ca 0.00 -0.47 -0.30 0.00 0.01 0.00 0.00 54.13 53.37 3cae s LEU 127 Cb 0.00 0.38 -0.08 0.00 0.01 0.00 0.00 46.19 46.50 3cae s LEU 127 CO 0.00 -0.39 1.87 -0.63 1.01 0.00 0.00 176.35 178.21 3cae s ILE 128 N -1.90 3.09 0.34 -0.59 1.01 -1.26 -4.92 121.20 116.97 3cae s ILE 128 Ca -0.11 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 3cae s ILE 128 Cb -0.06 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 39.17 3cae s ILE 128 CO -0.02 -0.01 1.50 -2.65 0.00 0.00 0.00 174.94 173.76 3cae n PRO 129 N 7.15 2.61 -0.34 2.79 -0.02 -1.26 -4.88 135.00 141.04 3cae n PRO 129 Ca 0.19 0.92 0.06 0.00 -2.02 0.00 0.00 63.50 62.65 3cae n PRO 129 Cb 0.41 -2.65 0.22 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.56 1.42 -0.29 3.55 0.00 -2.00 -1.56 119.26 123.93 3cae h ALA 130 Ca -0.49 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.50 3cae h ALA 130 Cb 1.24 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3cae h ALA 130 CO 0.69 0.19 -0.49 0.93 0.00 0.00 0.00 179.25 180.57 3cae h GLU 131 N 0.94 -0.43 -0.65 0.00 4.39 -1.97 -0.53 114.58 116.33 3cae h GLU 131 Ca 0.47 0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.33 3cae h GLU 131 Cb 0.45 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 29.07 3cae h GLU 131 CO -0.26 -0.29 -0.15 -1.49 -1.16 0.00 0.00 179.01 175.66 3cae h TRP 132 N -0.44 -0.33 -0.69 4.33 4.06 -1.66 0.17 115.95 121.39 3cae h TRP 132 Ca 0.08 0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.14 3cae h TRP 132 Cb 0.62 0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 28.98 3cae h TRP 132 CO -0.62 -0.28 0.41 0.82 -3.56 0.00 0.00 178.44 175.22 3cae h ILE 133 N 0.01 1.03 0.00 1.49 2.04 -1.07 -1.80 117.51 119.20 3cae h ILE 133 Ca 0.32 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3cae h ILE 133 Cb 0.48 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3cae h ILE 133 CO -0.67 0.14 0.00 0.29 0.00 0.00 0.00 178.15 177.92 3cae n LYS 134 N -4.72 0.84 -2.35 2.37 5.02 -0.01 -4.83 118.16 114.48 3cae n LYS 134 Ca 0.08 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 3cae n LYS 134 Cb 0.13 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.00 4.23 0.05 1.97 2.02 -0.68 -4.95 118.70 119.33 3cae s GLU 135 Ca 0.29 1.83 -0.34 0.00 0.02 0.00 0.00 54.97 56.77 3cae s GLU 135 Cb 0.13 -2.81 -0.13 0.00 0.10 0.00 0.00 34.13 31.42 3cae s GLU 135 CO 0.22 -0.17 1.74 -0.35 0.02 0.00 0.00 175.26 176.72 3cae n PRO 136 N 0.37 2.23 -1.49 0.39 -0.04 -1.26 -4.78 135.00 130.41 3cae n PRO 136 Ca 0.03 0.81 -0.40 0.00 -0.04 0.00 0.00 63.50 63.90 3cae n PRO 136 Cb 0.46 -2.63 0.03 0.00 -0.04 0.00 0.00 33.50 31.32 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 5.09 0.66 -3.79 0.54 4.81 -1.26 -4.97 118.16 119.24 3cae n LYS 137 Ca 0.20 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.76 3cae n LYS 137 Cb 0.30 -1.71 -0.12 0.00 0.02 0.00 0.00 35.03 33.52 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 -1.95 0.24 0.45 1.64 -2.85 -0.91 -5.01 119.74 111.35 3cae s LYS 138 Ca 0.67 0.33 -0.25 0.00 -1.00 0.00 0.00 55.97 55.72 3cae s LYS 138 Cb -0.51 0.07 -0.08 0.00 -2.06 0.00 0.00 37.83 35.25 3cae s LYS 138 CO 0.55 -0.05 1.37 0.39 0.10 0.00 0.00 175.35 177.71 3cae n GLU 139 N 3.19 2.08 -4.11 1.78 -0.58 -1.26 -4.15 120.64 117.60 3cae n GLU 139 Ca -0.15 0.74 -0.33 0.00 -0.42 0.00 0.00 57.16 57.01 3cae n GLU 139 Cb 0.57 -2.54 -0.16 0.00 -0.57 0.00 0.00 31.44 28.74 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 -1.21 2.09 -0.89 2.62 1.01 -1.26 -5.03 120.40 117.73 3cae s VAL 140 Ca 0.62 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3cae s VAL 140 Cb -0.46 -1.97 -0.17 0.00 0.00 0.00 0.00 36.38 33.78 3cae s VAL 140 CO 0.57 0.38 1.91 -0.81 0.00 0.00 0.00 175.10 177.15 3cae n PRO 141 N 4.57 1.17 -0.24 2.72 -0.04 -1.26 -4.73 135.00 137.18 3cae n PRO 141 Ca -0.19 -1.98 -0.00 0.00 -0.04 0.00 0.00 63.50 61.29 3cae n PRO 141 Cb 0.48 -3.34 0.22 0.00 -0.04 0.00 0.00 33.50 30.81 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 9.42 1.01 -0.47 0.54 -1.00 -1.96 -0.28 116.94 124.19 3cae h PHE 142 Ca 0.26 0.02 0.12 0.00 2.81 0.00 0.00 57.97 61.18 3cae h PHE 142 Cb 0.83 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 3cae h PHE 142 CO 1.17 0.64 0.33 -0.44 -1.61 0.00 0.00 178.31 178.40 3cae h ASP 143 N 1.08 0.10 1.55 2.17 3.32 -2.05 0.68 116.42 123.26 3cae h ASP 143 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3cae h ASP 143 Cb -0.11 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3cae h ASP 143 CO -0.06 0.06 -0.06 0.03 -1.72 0.00 0.00 179.24 177.49 3cae h ARG 144 N 0.11 0.00 -6.87 3.56 2.47 -1.44 -3.46 114.38 108.76 3cae h ARG 144 Ca 0.22 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.50 3cae h ARG 144 Cb 0.74 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.12 3cae h ARG 144 CO -0.02 0.06 -0.02 -0.51 0.56 0.00 0.00 179.97 180.04 3cae s LEU 145 N -6.27 3.22 -0.14 3.04 1.43 0.24 -5.11 118.68 115.09 3cae s LEU 145 Ca 0.04 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3cae s LEU 145 Cb 0.07 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.71 3cae s LEU 145 CO 0.63 -1.29 -0.05 -0.54 0.23 0.00 0.00 176.35 175.34 3cae s LYS 146 N -4.82 1.30 0.69 1.70 1.02 -1.26 -4.98 119.74 113.39 3cae s LYS 146 Ca 0.59 -0.33 -0.11 0.00 0.02 0.00 0.00 55.97 56.14 3cae s LYS 146 Cb -0.09 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 3cae s LYS 146 CO 0.39 -0.37 1.06 -0.98 -0.92 0.00 0.00 175.35 174.53 3cae s ARG 147 N 1.72 3.01 0.00 1.68 1.70 -1.26 -5.11 118.95 120.69 3cae s ARG 147 Ca 0.03 0.78 0.25 0.00 -0.47 0.00 0.00 55.73 56.32 3cae s ARG 147 Cb -0.14 -2.01 1.47 0.00 -0.57 0.00 0.00 34.95 33.70 3cae s ARG 147 CO -0.08 -1.00 1.83 0.36 -1.08 0.00 0.00 175.30 175.34