#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 -1.22 0.60 -5.12 0.00 -2.04 0.78 103.07 96.07 3cae h GLY 18 Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.98 3cae h GLY 18 CO 0.00 -0.37 0.01 -2.00 0.00 0.00 0.00 176.54 174.18 3cae h LEU 19 N -0.38 -0.08 -0.57 3.11 5.85 -2.05 0.90 115.31 122.09 3cae h LEU 19 Ca 0.00 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3cae h LEU 19 Cb 0.39 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 3cae h LEU 19 CO -0.17 -0.01 0.23 -0.08 -0.34 0.00 0.00 178.44 178.07 3cae h GLU 20 N 0.10 0.41 -0.03 1.25 4.81 -1.93 -0.74 114.58 118.45 3cae h GLU 20 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3cae h GLU 20 Cb 0.16 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3cae h GLU 20 CO -0.21 0.27 -0.02 0.22 -0.73 0.00 0.00 179.01 178.55 3cae h ASP 21 N 0.43 0.06 -1.01 1.04 1.82 0.12 -2.26 116.42 116.62 3cae h ASP 21 Ca 0.28 -0.44 0.24 0.00 -0.39 0.00 0.00 57.03 56.72 3cae h ASP 21 Cb 0.30 -0.02 -0.10 0.00 0.68 0.00 0.00 39.33 40.19 3cae h ASP 21 CO -0.26 0.49 0.64 0.11 -1.61 0.00 0.00 179.24 178.60 3cae h LYS 22 N -0.36 0.49 -0.17 0.28 1.57 0.12 -0.41 116.57 118.09 3cae h LYS 22 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3cae h LYS 22 Cb 0.47 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3cae h LYS 22 CO 0.00 0.32 -0.13 0.28 -0.57 0.00 0.00 179.45 179.36 3cae h VAL 23 N 0.50 1.33 -0.55 0.50 2.07 -0.95 -1.57 116.25 117.58 3cae h VAL 23 Ca 0.59 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3cae h VAL 23 Cb 1.29 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 3cae h VAL 23 CO -0.33 0.37 0.33 0.77 0.02 0.00 0.00 177.57 178.73 3cae h SER 24 N 0.04 0.52 -0.73 0.57 4.64 -0.59 -0.34 113.55 117.66 3cae h SER 24 Ca 0.03 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3cae h SER 24 Cb 0.64 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.56 3cae h SER 24 CO 0.03 0.37 0.40 0.11 -0.87 0.00 0.00 176.83 176.87 3cae h LYS 25 N 0.65 0.67 -0.86 4.77 1.57 -1.07 0.48 116.57 122.78 3cae h LYS 25 Ca 0.23 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3cae h LYS 25 Cb 0.04 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 3cae h LYS 25 CO -0.11 0.44 0.54 0.37 -0.57 0.00 0.00 179.45 180.12 3cae h GLN 26 N 0.69 0.96 -0.31 3.15 4.15 -0.08 0.38 115.11 124.04 3cae h GLN 26 Ca 0.35 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.53 3cae h GLN 26 Cb 0.31 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3cae h GLN 26 CO -0.24 0.63 -0.51 -0.07 -1.93 0.00 0.00 178.83 176.72 3cae h LEU 27 N 0.99 0.98 -0.67 -2.39 3.38 0.57 -2.92 115.31 115.25 3cae h LEU 27 Ca 0.37 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3cae h LEU 27 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3cae h LEU 27 CO -0.17 1.31 -0.00 -0.33 0.09 0.00 0.00 178.44 179.34 3cae h GLU 28 N 0.70 1.03 -0.11 1.13 5.08 0.61 0.05 114.58 123.07 3cae h GLU 28 Ca 0.03 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3cae h GLU 28 Cb 1.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3cae h GLU 28 CO 0.12 1.01 0.00 0.66 -1.00 0.00 0.00 179.01 179.80 3cae h SER 29 N 0.94 0.13 -0.53 1.42 4.64 -0.23 0.20 113.55 120.12 3cae h SER 29 Ca 0.17 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3cae h SER 29 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3cae h SER 29 CO 0.03 0.16 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 3cae n LYS 30 N -4.45 2.39 -3.66 4.77 5.02 -0.98 -4.92 118.16 116.34 3cae n LYS 30 Ca -0.01 -1.98 -0.27 0.00 -2.02 0.00 0.00 58.31 54.02 3cae n LYS 30 Cb 0.14 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.69 -4.94 105.19 106.09 3cae n GLY 31 Ca 0.18 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.21 4.86 -1.01 -0.61 -1.09 -0.03 -4.98 121.20 115.13 3cae s ILE 32 Ca 0.56 1.53 -0.20 0.00 -2.23 0.00 0.00 60.65 60.31 3cae s ILE 32 Cb -0.28 -4.10 0.09 0.00 -1.58 0.00 0.00 42.46 36.60 3cae s ILE 32 CO 0.70 -0.04 1.33 -0.75 -1.23 0.00 0.00 174.94 174.94 3cae s LYS 33 N 2.65 3.64 0.50 2.79 2.20 -1.26 -4.58 119.74 125.68 3cae s LYS 33 Ca 0.34 -1.52 0.08 0.00 -0.36 0.00 0.00 55.97 54.51 3cae s LYS 33 Cb -0.16 -5.16 0.03 0.00 -1.51 0.00 0.00 37.83 31.03 3cae s LYS 33 CO 0.08 -2.00 0.54 -0.59 -0.36 0.00 0.00 175.35 173.02 3cae s PHE 34 N 3.78 2.03 -0.12 4.03 -0.12 -1.26 -5.12 117.98 121.20 3cae s PHE 34 Ca 0.41 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 3cae s PHE 34 Cb -0.02 -2.14 -0.01 0.00 -0.63 0.00 0.00 43.02 40.22 3cae s PHE 34 CO -0.08 -0.58 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.13 3cae s GLU 35 N -4.37 3.25 -0.27 1.99 2.02 -1.26 -5.12 118.70 114.95 3cae s GLU 35 Ca 0.49 -0.75 -0.12 0.00 0.02 0.00 0.00 54.97 54.61 3cae s GLU 35 Cb -0.05 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 3cae s GLU 35 CO 0.30 0.21 0.23 -0.47 0.02 0.00 0.00 175.26 175.56 3cae s TYR 36 N 0.31 3.25 -1.01 1.61 5.04 -1.26 -4.61 117.35 120.68 3cae s TYR 36 Ca -0.13 0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 54.65 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 0.07 -0.13 0.15 0.39 -1.34 0.00 0.00 175.55 174.69 3cae n GLU 37 N 4.98 -0.91 -0.10 4.97 1.02 -1.26 -4.77 120.64 124.57 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 -2.42 -0.12 0.00 -0.02 0.00 0.00 31.44 29.40 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 -2.91 0.64 -3.93 3.49 4.07 -1.26 -4.99 120.64 115.75 3cae n GLU 38 Ca -0.08 0.28 -0.31 0.00 -0.06 0.00 0.00 57.16 57.00 3cae n GLU 38 Cb 0.35 -1.59 -0.04 0.00 -0.06 0.00 0.00 31.44 30.10 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 3.50 -0.02 4.31 0.52 -1.26 -5.11 118.94 118.39 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 -0.22 0.15 0.02 0.00 0.00 176.95 178.08 3cae s LYS 40 N -2.55 1.82 -0.33 4.98 1.02 -1.26 -5.12 119.74 118.30 3cae s LYS 40 Ca 0.35 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 3cae s LYS 40 Cb -0.13 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.41 3cae s LYS 40 CO 0.28 0.48 0.20 0.08 -0.92 0.00 0.00 175.35 175.47 3cae s VAL 41 N -0.53 4.95 -0.13 3.17 1.01 -1.26 -5.06 120.40 122.55 3cae s VAL 41 Ca 0.09 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3cae s VAL 41 Cb -0.09 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3cae s VAL 41 CO -0.01 0.01 1.04 -2.84 0.00 0.00 0.00 175.10 173.30 3cae s PRO 42 N 1.67 4.38 0.08 2.72 0.02 -1.26 -5.03 135.00 137.57 3cae s PRO 42 Ca 0.05 1.43 -0.04 0.00 0.02 0.00 0.00 61.00 62.46 3cae s PRO 42 Cb -0.17 -3.57 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 3cae s PRO 42 CO 0.08 -0.40 0.07 1.52 -0.33 0.00 0.00 177.00 177.94 3cae s TYR 43 N 2.31 0.43 -0.12 6.54 -0.85 -1.26 -5.15 117.35 119.25 3cae s TYR 43 Ca 0.49 -0.91 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 3cae s TYR 43 Cb -0.19 -0.27 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 3cae s TYR 43 CO 0.16 -0.47 -0.15 -1.54 -1.52 0.00 0.00 175.55 172.03 3cae s SER 44 N -2.92 3.84 -0.29 -0.18 1.04 -1.26 -5.08 113.70 108.85 3cae s SER 44 Ca 0.09 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 3cae s SER 44 Cb 0.07 -1.52 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 3cae s SER 44 CO -0.09 0.18 0.51 0.21 0.98 0.00 0.00 173.24 175.03 3cae s ASN 45 N 0.27 6.38 -0.53 7.02 3.84 -1.26 -5.03 114.94 125.63 3cae s ASN 45 Ca -0.11 0.31 -0.23 0.00 0.21 0.00 0.00 52.86 53.04 3cae s ASN 45 Cb -0.16 -2.27 0.04 0.00 -0.55 0.00 0.00 41.25 38.31 3cae s ASN 45 CO 0.06 -0.35 0.86 0.54 -2.79 0.00 0.00 177.10 175.41 3cae s ASN 46 N 1.64 6.33 0.33 -4.21 4.22 -1.26 -5.02 114.94 116.97 3cae s ASN 46 Ca 0.20 -0.43 -0.15 0.00 -2.14 0.00 0.00 52.86 50.34 3cae s ASN 46 Cb -0.15 -2.40 -0.09 0.00 1.28 0.00 0.00 41.25 39.89 3cae s ASN 46 CO 0.11 -1.11 0.74 -1.10 -2.04 0.00 0.00 177.10 173.70 3cae s GLN 47 N 3.59 4.00 -0.46 3.55 -0.21 -1.26 -5.04 119.66 123.83 3cae s GLN 47 Ca 0.27 0.67 -0.01 0.00 0.02 0.00 0.00 55.36 56.32 3cae s GLN 47 Cb -0.14 -2.42 0.12 0.00 1.00 0.00 0.00 33.01 31.57 3cae s GLN 47 CO 0.18 0.14 0.24 -0.65 -2.12 0.00 0.00 175.29 173.08 3cae s GLN 48 N -3.02 2.03 -0.02 2.91 -0.21 -1.26 -5.07 119.66 115.01 3cae s GLN 48 Ca 0.54 -2.10 -0.22 0.00 0.02 0.00 0.00 55.36 53.61 3cae s GLN 48 Cb -0.10 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 3cae s GLN 48 CO 0.18 -1.07 0.63 -0.80 -2.12 0.00 0.00 175.29 172.10 3cae s ASN 49 N 1.11 6.99 -0.32 5.90 0.02 -1.26 -5.03 114.94 122.35 3cae s ASN 49 Ca 0.12 1.18 -0.08 0.00 -1.02 0.00 0.00 52.86 53.06 3cae s ASN 49 Cb -0.22 -2.38 0.02 0.00 0.02 0.00 0.00 41.25 38.69 3cae s ASN 49 CO -0.04 0.04 0.12 -0.31 0.02 0.00 0.00 177.10 176.93 3cae s TYR 50 N 0.09 3.19 -0.19 2.20 1.51 -1.26 -5.06 117.35 117.83 3cae s TYR 50 Ca 0.33 -1.01 -0.11 0.00 -1.01 0.00 0.00 57.07 55.27 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 0.18 -0.61 0.15 -1.12 -1.11 0.00 0.00 175.55 173.04 3cae s SER 51 N 1.50 6.24 0.02 2.29 0.01 -1.26 -5.06 113.70 117.45 3cae s SER 51 Ca 0.02 0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.31 3cae s SER 51 Cb -0.18 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 3cae s SER 51 CO 0.04 0.17 0.70 -0.94 0.41 0.00 0.00 173.24 173.62 3cae s SER 52 N 0.39 7.12 0.34 2.44 1.04 -1.26 -5.05 113.70 118.71 3cae s SER 52 Ca 0.09 1.34 0.05 0.00 0.48 0.00 0.00 55.95 57.91 3cae s SER 52 Cb -0.11 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 3cae s SER 52 CO -0.01 0.04 0.20 -1.00 0.98 0.00 0.00 173.24 173.45 3cae s HIS 53 N -0.06 1.69 0.15 5.02 3.76 -1.26 -5.18 115.29 119.41 3cae s HIS 53 Ca 0.36 -1.47 0.07 0.00 -0.15 0.00 0.00 55.06 53.87 3cae s HIS 53 Cb -0.20 -0.86 -0.04 0.00 1.11 0.00 0.00 32.58 32.59 3cae s HIS 53 CO 0.21 -0.62 -0.16 0.95 -0.85 0.00 0.00 174.74 174.27 3cae s THR 54 N -3.46 1.61 -0.04 1.30 -4.23 -1.26 -5.15 115.64 104.41 3cae s THR 54 Ca 0.35 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3cae s THR 54 Cb 0.03 -1.72 0.03 0.00 1.34 0.00 0.00 72.50 72.18 3cae s THR 54 CO 0.21 -0.37 0.05 -0.47 -0.54 0.00 0.00 174.62 173.50 3cae s TYR 55 N -2.12 0.09 -0.30 3.99 5.04 -1.26 -5.14 117.35 117.65 3cae s TYR 55 Ca 0.13 0.21 -0.07 0.00 -2.44 0.00 0.00 57.07 54.90 3cae s TYR 55 Cb -0.05 -0.45 0.01 0.00 0.35 0.00 0.00 41.96 41.82 3cae s TYR 55 CO 0.05 -0.18 0.08 0.99 -1.34 0.00 0.00 175.55 175.16 3cae s THR 56 N 1.94 3.95 0.95 4.34 2.01 -1.26 -5.09 115.64 122.49 3cae s THR 56 Ca 0.02 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 3cae s THR 56 Cb -0.12 -3.06 0.16 0.00 0.01 0.00 0.00 72.50 69.49 3cae s THR 56 CO -0.03 0.05 1.09 -2.84 -0.69 0.00 0.00 174.62 172.20 3cae s PRO 57 N 1.49 0.77 -0.01 4.92 0.02 -1.26 -4.95 135.00 135.97 3cae s PRO 57 Ca 0.02 1.03 -0.13 0.00 0.02 0.00 0.00 61.00 61.94 3cae s PRO 57 Cb -0.17 -1.74 -0.33 0.00 0.02 0.00 0.00 34.50 32.28 3cae s PRO 57 CO 0.03 -2.63 0.81 -0.44 -0.33 0.00 0.00 177.00 174.43 3cae h ASP 58 N -1.85 0.71 -3.96 2.53 3.32 -1.62 -3.47 116.42 112.08 3cae h ASP 58 Ca -0.50 -0.91 -0.34 0.00 0.02 0.00 0.00 57.03 55.30 3cae h ASP 58 Cb 1.29 -0.23 -0.28 0.00 0.22 0.00 0.00 39.33 40.32 3cae h ASP 58 CO 0.50 1.75 -0.76 -0.36 -1.72 0.00 0.00 179.24 178.65 3cae s PHE 59 N -2.59 0.54 -0.33 4.55 0.40 0.14 -4.99 117.98 115.70 3cae s PHE 59 Ca -0.13 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3cae s PHE 59 Cb 0.05 -0.35 0.07 0.00 0.51 0.00 0.00 43.02 43.30 3cae s PHE 59 CO 0.89 -0.01 0.05 -1.17 0.70 0.00 0.00 175.22 175.68 3cae s LEU 60 N -0.20 4.35 0.64 -0.37 2.96 -1.26 0.07 118.68 124.87 3cae s LEU 60 Ca 0.02 -1.61 -0.16 0.00 -0.22 0.00 0.00 54.13 52.16 3cae s LEU 60 Cb -0.03 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3cae s LEU 60 CO -0.00 -0.35 1.13 -0.76 -1.32 0.00 0.00 176.35 175.05 3cae s LEU 61 N 1.16 3.46 0.50 -0.68 1.43 0.45 -4.92 118.68 120.09 3cae s LEU 61 Ca 0.00 2.09 0.20 0.00 -1.03 0.00 0.00 54.13 55.40 3cae s LEU 61 Cb -0.20 -4.56 1.27 0.00 0.03 0.00 0.00 46.19 42.72 3cae s LEU 61 CO -0.03 -1.62 2.02 -0.65 0.23 0.00 0.00 176.35 176.30 3cae h PRO 62 N 0.26 0.11 -0.49 1.29 0.11 -1.94 -1.13 132.00 130.20 3cae h PRO 62 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3cae h PRO 62 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3cae h PRO 62 CO 0.54 0.07 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 3cae n ASN 63 N -4.44 0.68 0.00 -2.05 6.94 -1.26 -4.85 115.26 110.29 3cae n ASN 63 Ca 0.07 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.61 3cae n ASN 63 Cb 0.44 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 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 2.57 3.77 4.83 0.00 -0.43 -2.08 105.19 114.15 3cae n GLY 64 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.16 2.90 -0.07 -0.61 1.01 -1.25 -4.66 121.20 116.35 3cae s ILE 65 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.37 3cae s ILE 65 Cb 0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3cae s ILE 65 CO 0.00 0.02 -0.09 -0.36 0.00 0.00 0.00 174.94 174.51 3cae s PHE 66 N -1.44 2.86 -0.05 3.97 0.40 0.12 -0.41 117.98 123.42 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 -0.32 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.52 3cae s PHE 66 CO 0.39 0.25 -0.13 0.08 0.70 0.00 0.00 175.22 176.51 3cae s VAL 67 N -0.69 1.18 -0.19 -0.44 1.01 0.11 -0.26 120.40 121.11 3cae s VAL 67 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3cae s VAL 67 Cb -0.11 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.23 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 0.40 3.14 0.22 2.72 2.56 0.12 -0.68 118.70 127.17 3cae s GLU 68 Ca -0.10 -0.75 -0.27 0.00 0.00 0.00 0.00 54.97 53.85 3cae s GLU 68 Cb -0.13 -2.73 -0.09 0.00 2.00 0.00 0.00 34.13 33.18 3cae s GLU 68 CO 0.03 -0.20 0.85 0.95 -0.56 0.00 0.00 175.26 176.33 3cae s THR 69 N 1.35 4.25 -0.11 -1.70 -4.23 -1.26 -0.29 115.64 113.65 3cae s THR 69 Ca 0.05 1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 62.34 3cae s THR 69 Cb -0.13 -4.17 0.05 0.00 1.34 0.00 0.00 72.50 69.59 3cae s THR 69 CO -0.09 0.43 0.26 -0.75 -0.54 0.00 0.00 174.62 173.93 3cae s LYS 70 N -1.36 0.19 0.00 3.99 2.47 0.15 -4.90 119.74 120.29 3cae s LYS 70 Ca 0.40 0.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.42 3cae s LYS 70 Cb -0.23 -0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.05 3cae s LYS 70 CO 0.28 -0.20 0.00 0.41 0.16 0.00 0.00 175.35 175.99 3cae n GLY 71 N 4.58 -0.41 3.84 5.54 0.00 -1.26 -2.88 105.19 114.60 3cae n GLY 71 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.40 4.41 -0.53 0.99 2.96 -1.26 -4.60 118.68 116.25 3cae s LEU 72 Ca 0.00 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3cae s LEU 72 Cb 0.00 -2.35 0.15 0.00 0.50 0.00 0.00 46.19 44.49 3cae s LEU 72 CO 0.00 0.33 0.32 0.86 -1.32 0.00 0.00 176.35 176.54 3cae s TRP 73 N -0.87 2.60 1.03 5.38 -0.00 -1.26 -5.11 118.94 120.70 3cae s TRP 73 Ca 0.19 -2.84 -0.12 0.00 -0.00 0.00 0.00 56.10 53.33 3cae s TRP 73 Cb -0.14 -2.23 0.21 0.00 -0.00 0.00 0.00 33.47 31.30 3cae s TRP 73 CO 0.08 -0.72 1.08 -1.21 -0.00 0.00 0.00 176.95 176.19 3cae s GLU 74 N -0.31 0.15 0.30 5.86 0.41 -1.26 -4.77 118.70 119.08 3cae s GLU 74 Ca 0.21 1.08 -0.01 0.00 -0.41 0.00 0.00 54.97 55.84 3cae s GLU 74 Cb -0.17 -1.66 0.46 0.00 -1.78 0.00 0.00 34.13 30.98 3cae s GLU 74 CO -0.06 -3.07 1.94 1.03 -0.49 0.00 0.00 175.26 174.60 3cae h SER 75 N -2.17 0.87 0.63 -0.19 0.87 -1.99 -0.87 113.55 110.70 3cae h SER 75 Ca -0.53 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 59.94 3cae h SER 75 Cb 1.30 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 63.05 3cae h SER 75 CO 0.48 0.68 -0.30 0.44 -0.53 0.00 0.00 176.83 177.60 3cae h ASP 76 N 1.00 -0.71 -0.67 6.23 3.32 -1.99 -1.02 116.42 122.57 3cae h ASP 76 Ca 0.26 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.46 3cae h ASP 76 Cb -0.01 0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.62 3cae h ASP 76 CO -0.05 -0.48 0.10 -0.78 -1.72 0.00 0.00 179.24 176.31 3cae h ASP 77 N -0.89 -0.11 0.75 6.45 -0.00 -1.82 -0.34 116.42 120.47 3cae h ASP 77 Ca -0.09 0.14 -0.04 0.00 -0.00 0.00 0.00 57.03 57.05 3cae h ASP 77 Cb 0.66 0.22 0.01 0.00 -0.00 0.00 0.00 39.33 40.22 3cae h ASP 77 CO 0.14 -0.06 -0.36 0.03 -0.00 0.00 0.00 179.24 178.99 3cae h ARG 78 N 0.20 -0.97 -0.58 0.28 3.08 -0.90 -0.61 114.38 114.88 3cae h ARG 78 Ca 0.36 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.58 3cae h ARG 78 Cb 0.60 0.22 -0.11 0.00 0.08 0.00 0.00 29.97 30.75 3cae h ARG 78 CO -0.50 -0.65 -0.34 0.87 -1.07 0.00 0.00 179.97 178.28 3cae h LYS 79 N -1.04 -0.16 -1.00 0.04 1.57 -0.85 0.53 116.57 115.67 3cae h LYS 79 Ca -0.10 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.87 3cae h LYS 79 Cb 0.77 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.02 3cae h LYS 79 CO 0.17 -0.11 0.62 -0.22 -0.57 0.00 0.00 179.45 179.34 3cae h LYS 80 N -0.17 0.76 0.83 3.15 3.64 -1.02 0.45 116.57 124.21 3cae h LYS 80 Ca 0.23 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3cae h LYS 80 Cb 0.55 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3cae h LYS 80 CO -0.67 0.50 -0.45 1.25 -2.27 0.00 0.00 179.45 177.80 3cae h HIS 81 N 0.78 -1.20 -1.02 1.91 2.76 0.17 -1.38 115.15 117.16 3cae h HIS 81 Ca 0.56 -0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.97 3cae h HIS 81 Cb 0.85 0.41 -0.12 0.00 1.55 0.00 0.00 27.41 30.11 3cae h HIS 81 CO -0.00 -0.70 0.63 -0.07 -1.30 0.00 0.00 177.93 176.48 3cae h LEU 82 N -1.18 0.59 0.00 0.26 3.38 0.13 0.71 115.31 119.20 3cae h LEU 82 Ca -0.11 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cae h LEU 82 Cb 0.93 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3cae h LEU 82 CO 0.15 0.08 -0.00 -0.07 0.09 0.00 0.00 178.44 178.69 3cae h LEU 83 N 0.50 -0.00 -1.74 1.67 3.38 -0.59 -1.50 115.31 117.02 3cae h LEU 83 Ca 0.64 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.52 3cae h LEU 83 Cb 1.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 3cae h LEU 83 CO -0.42 0.16 0.33 0.40 0.09 0.00 0.00 178.44 179.00 3cae h ILE 84 N -0.17 0.91 0.24 1.22 2.04 0.22 -1.08 117.51 120.89 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 0.17 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3cae h ILE 84 CO 0.00 0.06 -0.11 0.03 0.00 0.00 0.00 178.15 178.12 3cae h ARG 85 N 0.31 -0.31 -0.27 2.37 3.08 -0.86 -1.60 114.38 117.09 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 0.47 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 3cae h ARG 85 CO -0.05 0.06 -0.16 0.93 -1.07 0.00 0.00 179.97 179.68 3cae h GLU 86 N -0.83 -0.13 0.00 0.04 5.08 -0.80 -2.51 114.58 115.42 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 -0.09 0.00 1.96 -1.00 0.00 0.00 179.01 179.94 3cae h GLN 87 N -0.13 0.00 -2.03 2.33 4.20 -1.30 -3.38 115.11 114.79 3cae h GLN 87 Ca 0.15 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.34 3cae h GLN 87 Cb 0.36 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.74 3cae h GLN 87 CO -0.36 0.00 -1.11 0.72 -0.67 0.00 0.00 178.83 177.41 3cae n HIS 88 N -2.85 0.48 0.13 2.96 8.25 -0.60 -4.93 115.22 118.65 3cae n HIS 88 Ca 0.03 -3.78 0.02 0.00 -0.26 0.00 0.00 57.72 53.72 3cae n HIS 88 Cb 0.38 -0.41 0.07 0.00 1.12 0.00 0.00 29.99 31.15 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 0.55 0.03 0.00 -0.41 -0.04 -1.09 -1.44 135.00 132.60 3cae n PRO 89 Ca 0.25 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 3cae n PRO 89 Cb 0.59 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.37 0.20 -4.01 0.54 0.00 -1.26 -4.86 120.64 109.88 3cae n GLU 90 Ca 0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 57.16 56.74 3cae n GLU 90 Cb 0.03 -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 -2.86 4.14 -0.43 -1.84 1.43 -0.52 -4.94 118.68 113.65 3cae s LEU 91 Ca 0.16 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 3cae s LEU 91 Cb 0.18 -2.27 0.08 0.00 0.03 0.00 0.00 46.19 44.22 3cae s LEU 91 CO 0.60 0.32 0.27 -0.62 0.23 0.00 0.00 176.35 177.15 3cae s ASP 92 N -1.51 5.67 -0.21 2.29 -1.08 -1.26 -5.04 116.67 115.53 3cae s ASP 92 Ca 0.21 -1.53 0.01 0.00 -0.52 0.00 0.00 52.55 50.72 3cae s ASP 92 Cb -0.12 -2.00 0.03 0.00 -1.46 0.00 0.00 42.92 39.37 3cae s ASP 92 CO 0.11 -0.56 -0.15 -0.63 0.52 0.00 0.00 175.17 174.47 3cae s ILE 93 N 1.43 2.29 0.27 4.11 1.01 -1.26 0.11 121.20 129.15 3cae s ILE 93 Ca 0.03 -1.08 0.11 0.00 0.00 0.00 0.00 60.65 59.71 3cae s ILE 93 Cb -0.23 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3cae s ILE 93 CO 0.02 0.35 -0.12 -0.13 0.00 0.00 0.00 174.94 175.06 3cae s ARG 94 N 1.26 1.92 -0.10 2.79 0.52 0.65 -4.67 118.95 121.31 3cae s ARG 94 Ca 0.01 -1.62 0.03 0.00 -0.52 0.00 0.00 55.73 53.63 3cae s ARG 94 Cb -0.15 -1.93 -0.00 0.00 0.52 0.00 0.00 34.95 33.39 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 -2.41 2.29 -0.23 1.52 1.01 -0.03 0.11 121.20 123.46 3cae s ILE 95 Ca 0.30 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 3cae s ILE 95 Cb -0.06 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3cae s ILE 95 CO 0.17 0.55 0.08 -0.69 0.00 0.00 0.00 174.94 175.05 3cae s VAL 96 N 0.30 4.56 0.29 2.92 1.01 0.60 -0.82 120.40 129.26 3cae s VAL 96 Ca -0.16 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3cae s VAL 96 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3cae s VAL 96 CO 0.08 0.38 0.28 -0.36 0.00 0.00 0.00 175.10 175.47 3cae s PHE 97 N 1.15 3.06 -0.04 5.22 2.99 0.46 -0.67 117.98 130.15 3cae s PHE 97 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 56.93 56.77 3cae s PHE 97 Cb -0.14 -1.63 -0.27 0.00 0.00 0.00 0.00 43.02 40.99 3cae s PHE 97 CO 0.03 0.33 0.67 0.77 -0.00 0.00 0.00 175.22 177.03 3cae h SER 98 N 1.31 0.34 -1.87 1.36 0.02 -1.78 1.45 113.55 114.37 3cae h SER 98 Ca -0.47 -0.58 -0.38 0.00 -0.84 0.00 0.00 61.79 59.52 3cae h SER 98 Cb 1.25 -0.11 -0.30 0.00 0.14 0.00 0.00 62.40 63.37 3cae h SER 98 CO 0.59 1.50 -0.72 -0.55 -1.14 0.00 0.00 176.83 176.52 3cae s SER 99 N -6.85 0.75 0.25 3.07 0.15 -1.26 -4.38 113.70 105.43 3cae s SER 99 Ca -0.12 -1.95 0.14 0.00 0.70 0.00 0.00 55.95 54.71 3cae s SER 99 Cb 0.07 0.57 0.74 0.00 -1.71 0.00 0.00 66.02 65.69 3cae s SER 99 CO 0.82 -0.20 1.36 -1.54 1.20 0.00 0.00 173.24 174.88 3cae n SER 100 N 3.69 0.35 0.16 5.45 3.41 -1.26 0.40 113.62 125.82 3cae n SER 100 Ca 0.17 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3cae n SER 100 Cb 0.48 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 64.06 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 -6.64 4.33 3.08 -1.97 -0.60 114.38 112.58 3cae h ARG 101 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3cae h ARG 101 Cb 0.27 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.43 3cae h ARG 101 CO 0.00 0.00 0.33 2.41 -1.07 0.00 0.00 179.97 181.64 3cae n THR 102 N -2.69 2.09 -3.17 2.04 -1.04 0.16 -4.69 114.28 106.99 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 0.49 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 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 -1.81 4.34 0.17 -2.82 -0.14 -1.26 -0.98 119.74 117.23 3cae s LYS 103 Ca 0.58 0.87 -0.29 0.00 -1.36 0.00 0.00 55.97 55.77 3cae s LYS 103 Cb -0.61 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.25 3cae s LYS 103 CO 0.61 0.55 1.55 -0.07 -0.76 0.00 0.00 175.35 177.22 3cae h LEU 104 N 4.75 -1.95 -8.19 3.17 3.38 -0.85 -3.40 115.31 112.22 3cae h LEU 104 Ca -0.48 0.30 -0.47 0.00 0.09 0.00 0.00 57.88 57.32 3cae h LEU 104 Cb 1.21 0.87 -0.29 0.00 0.09 0.00 0.00 40.66 42.54 3cae h LEU 104 CO 0.66 -0.28 -0.81 -0.31 0.09 0.00 0.00 178.44 177.79 3cae s TYR 105 N -5.62 1.21 0.03 1.13 2.02 -1.26 -4.96 117.35 109.90 3cae s TYR 105 Ca -0.13 -0.23 -0.37 0.00 -0.37 0.00 0.00 57.07 55.98 3cae s TYR 105 Cb 0.12 -0.78 -0.16 0.00 -0.40 0.00 0.00 41.96 40.74 3cae s TYR 105 CO 0.64 -0.02 1.48 1.17 -1.57 0.00 0.00 175.55 177.24 3cae n LYS 106 N 2.74 1.38 0.00 -0.62 0.00 -1.26 -0.48 118.16 119.92 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 0.55 -2.18 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 3.06 3.32 3.76 3.14 0.00 -1.26 -5.05 105.19 112.15 3cae n GLY 107 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.53 5.30 0.00 1.61 0.15 0.37 -4.94 113.70 115.65 3cae s SER 108 Ca 0.00 2.23 0.26 0.00 0.70 0.00 0.00 55.95 59.14 3cae s SER 108 Cb 0.00 -2.58 0.78 0.00 -1.71 0.00 0.00 66.02 62.50 3cae s SER 108 CO 0.00 -1.51 1.59 -0.81 1.20 0.00 0.00 173.24 173.71 3cae n PRO 109 N -1.73 0.32 -4.10 5.44 -0.04 -1.26 -4.83 135.00 128.80 3cae n PRO 109 Ca 0.12 -0.16 -0.34 0.00 -0.04 0.00 0.00 63.50 63.08 3cae n PRO 109 Cb 0.51 -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 -2.79 4.58 0.56 0.52 2.01 -1.26 -5.05 115.64 114.21 3cae s THR 110 Ca 0.18 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.11 3cae s THR 110 Cb 0.19 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.71 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 0.34 5.14 0.21 3.53 1.04 -1.26 -0.20 113.70 122.50 3cae s SER 111 Ca 0.01 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.93 3cae s SER 111 Cb -0.13 -0.33 0.15 0.00 0.10 0.00 0.00 66.02 65.81 3cae s SER 111 CO 0.01 -1.24 1.81 1.88 0.98 0.00 0.00 173.24 176.68 3cae h TYR 112 N 0.13 1.06 0.74 5.02 0.99 -0.98 -1.83 116.97 122.10 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 -0.33 0.01 0.00 1.00 0.00 0.00 36.73 38.69 3cae h TYR 112 CO 0.28 0.75 -0.35 0.78 -0.00 0.00 0.00 178.16 179.62 3cae h GLY 113 N 1.05 -1.03 0.35 3.88 0.00 -1.36 -1.15 103.07 104.81 3cae h GLY 113 Ca 0.26 0.38 0.03 0.00 0.00 0.00 0.00 47.33 48.01 3cae h GLY 113 CO -0.04 -0.38 -0.29 0.83 0.00 0.00 0.00 176.54 176.67 3cae h GLU 114 N -1.02 -0.41 -0.87 4.80 5.08 -1.79 0.51 114.58 120.88 3cae h GLU 114 Ca -0.10 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.53 3cae h GLU 114 Cb 0.77 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3cae h GLU 114 CO 0.17 -0.28 0.62 0.35 -1.00 0.00 0.00 179.01 178.87 3cae h PHE 115 N -0.43 0.11 -0.14 4.33 3.57 -1.32 0.31 116.94 123.37 3cae h PHE 115 Ca 0.06 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.43 3cae h PHE 115 Cb 0.52 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3cae h PHE 115 CO -0.32 0.03 -0.46 0.00 -2.23 0.00 0.00 178.31 175.33 3cae h GLU 117 N 0.19 0.44 -0.30 0.00 5.08 0.22 0.31 114.58 120.53 3cae h GLU 117 Ca -0.02 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3cae h GLU 117 Cb 1.08 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 3cae h GLU 117 CO 0.10 0.31 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.73 3cae h LYS 118 N 0.44 -0.41 -0.84 2.33 3.64 -0.76 0.22 116.57 121.19 3cae h LYS 118 Ca 0.12 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3cae h LYS 118 Cb -0.03 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 3cae h LYS 118 CO -0.02 -0.27 0.13 0.72 -2.27 0.00 0.00 179.45 177.73 3cae n HIS 119 N -5.42 1.40 -3.62 1.91 8.25 -1.14 -4.93 115.22 111.67 3cae n HIS 119 Ca -0.03 -0.71 -0.27 0.00 -0.26 0.00 0.00 57.72 56.45 3cae n HIS 119 Cb 0.36 -0.45 0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 0.09 -1.07 3.35 -1.41 0.00 0.07 -5.00 105.19 101.21 3cae n GLY 120 Ca 0.22 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.35 2.95 -0.12 -0.61 1.01 1.00 -5.01 121.20 117.07 3cae s ILE 121 Ca 0.36 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 3cae s ILE 121 Cb -0.13 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3cae s ILE 121 CO 0.85 0.52 1.04 -0.54 0.00 0.00 0.00 174.94 176.82 3cae s LYS 122 N 0.43 4.38 0.17 2.79 1.02 -1.26 -4.47 119.74 122.81 3cae s LYS 122 Ca -0.10 1.43 -0.01 0.00 0.02 0.00 0.00 55.97 57.30 3cae s LYS 122 Cb -0.16 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3cae s LYS 122 CO 0.05 -0.39 0.10 -0.59 -0.92 0.00 0.00 175.35 173.60 3cae s PHE 123 N 2.26 1.05 0.21 3.18 -0.12 -1.26 -0.85 117.98 122.46 3cae s PHE 123 Ca 0.49 -1.32 -0.20 0.00 -0.05 0.00 0.00 56.93 55.85 3cae s PHE 123 Cb -0.19 -0.54 0.04 0.00 -0.63 0.00 0.00 43.02 41.71 3cae s PHE 123 CO 0.16 -0.58 0.61 0.00 -0.05 0.00 0.00 175.22 175.36 3cae s ALA 124 N -4.11 -1.24 -0.08 1.99 0.00 -0.00 -4.95 121.76 113.38 3cae s ALA 124 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 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 0.08 -0.87 0.05 -0.51 0.00 0.00 0.00 175.76 174.51 3cae s ASP 125 N -2.85 5.63 0.00 0.00 -0.00 -1.26 0.18 116.67 118.37 3cae s ASP 125 Ca 0.07 0.23 0.00 0.00 -0.00 0.00 0.00 52.55 52.85 3cae s ASP 125 Cb -0.03 -1.66 0.00 0.00 -0.00 0.00 0.00 42.92 41.23 3cae s ASP 125 CO -0.03 0.36 0.00 0.29 -0.00 0.00 0.00 175.17 175.80 3cae n LYS 126 N 1.89 0.00 -3.97 8.23 5.02 0.50 -4.76 118.16 125.07 3cae n LYS 126 Ca -0.18 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.02 3cae n LYS 126 Cb 0.54 -0.13 -0.10 0.00 -0.02 0.00 0.00 35.03 35.31 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 0.04 -0.35 2.01 -1.26 -4.96 118.68 116.24 3cae s LEU 127 Ca 0.00 -0.54 -0.30 0.00 0.01 0.00 0.00 54.13 53.29 3cae s LEU 127 Cb 0.00 0.31 -0.08 0.00 0.01 0.00 0.00 46.19 46.43 3cae s LEU 127 CO 0.00 -0.40 1.81 -0.63 1.01 0.00 0.00 176.35 178.14 3cae s ILE 128 N -2.09 3.07 0.34 -0.59 1.01 -1.26 -4.92 121.20 116.76 3cae s ILE 128 Ca -0.10 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3cae s ILE 128 Cb -0.05 -3.18 -0.11 0.00 0.01 0.00 0.00 42.46 39.13 3cae s ILE 128 CO -0.03 -0.02 1.54 -2.84 0.00 0.00 0.00 174.94 173.59 3cae s PRO 129 N 3.71 4.11 0.27 2.79 0.02 -1.26 -4.88 135.00 139.76 3cae s PRO 129 Ca 0.81 2.58 -0.00 0.00 0.02 0.00 0.00 61.00 64.41 3cae s PRO 129 Cb -0.41 -2.99 0.52 0.00 0.02 0.00 0.00 34.50 31.65 3cae s PRO 129 CO 0.36 -0.58 1.81 0.00 -0.33 0.00 0.00 177.00 178.26 3cae h ALA 130 N 3.82 1.39 -0.32 -1.55 0.00 -2.00 -1.25 119.26 119.35 3cae h ALA 130 Ca -0.49 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3cae h ALA 130 Cb 1.23 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3cae h ALA 130 CO 0.71 0.11 -0.49 0.93 0.00 0.00 0.00 179.25 180.51 3cae h GLU 131 N 0.85 -0.41 -0.64 0.00 4.39 -1.97 -0.64 114.58 116.17 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 0.52 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.14 3cae h GLU 131 CO -0.29 -0.27 -0.17 -1.49 -1.16 0.00 0.00 179.01 175.63 3cae h TRP 132 N -0.42 -0.36 -0.74 4.33 4.06 -1.60 0.08 115.95 121.30 3cae h TRP 132 Ca 0.09 0.06 0.05 0.00 2.06 0.00 0.00 58.89 61.15 3cae h TRP 132 Cb 0.62 0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.98 3cae h TRP 132 CO -0.63 -0.28 0.45 0.82 -3.56 0.00 0.00 178.44 175.24 3cae h ILE 133 N -0.01 1.05 0.00 1.49 2.04 -1.06 -1.88 117.51 119.15 3cae h ILE 133 Ca 0.31 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3cae h ILE 133 Cb 0.47 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3cae h ILE 133 CO -0.66 0.16 0.00 0.29 0.00 0.00 0.00 178.15 177.93 3cae n LYS 134 N -4.68 0.85 -2.34 2.37 5.02 -0.05 -4.83 118.16 114.51 3cae n LYS 134 Ca 0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 3cae n LYS 134 Cb 0.13 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 4.26 0.03 1.97 2.02 -0.71 -4.96 118.70 119.32 3cae s GLU 135 Ca 0.31 1.85 -0.34 0.00 0.02 0.00 0.00 54.97 56.81 3cae s GLU 135 Cb 0.14 -2.85 -0.13 0.00 0.10 0.00 0.00 34.13 31.40 3cae s GLU 135 CO 0.24 -0.15 1.73 -0.35 0.02 0.00 0.00 175.26 176.76 3cae n PRO 136 N 0.45 2.16 -1.48 0.39 -0.04 -1.26 -4.78 135.00 130.43 3cae n PRO 136 Ca 0.02 0.79 -0.40 0.00 -0.04 0.00 0.00 63.50 63.87 3cae n PRO 136 Cb 0.46 -2.60 0.02 0.00 -0.04 0.00 0.00 33.50 31.35 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 5.08 0.64 -3.79 0.54 4.81 -1.26 -4.97 118.16 119.21 3cae n LYS 137 Ca 0.20 0.24 -0.13 0.00 -0.87 0.00 0.00 58.31 57.75 3cae n LYS 137 Cb 0.29 -1.68 -0.12 0.00 0.02 0.00 0.00 35.03 33.53 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 -1.91 0.23 0.45 1.64 -2.85 -0.88 -5.01 119.74 111.40 3cae s LYS 138 Ca 0.66 0.33 -0.25 0.00 -1.00 0.00 0.00 55.97 55.71 3cae s LYS 138 Cb -0.51 0.06 -0.09 0.00 -2.06 0.00 0.00 37.83 35.23 3cae s LYS 138 CO 0.56 -0.06 1.36 0.39 0.10 0.00 0.00 175.35 177.70 3cae n GLU 139 N 3.24 2.07 -4.10 1.78 -0.58 -1.26 -4.15 120.64 117.64 3cae n GLU 139 Ca -0.15 0.74 -0.33 0.00 -0.42 0.00 0.00 57.16 57.00 3cae n GLU 139 Cb 0.57 -2.52 -0.16 0.00 -0.57 0.00 0.00 31.44 28.77 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 -1.20 2.13 -0.97 2.62 1.01 -1.26 -5.02 120.40 117.70 3cae s VAL 140 Ca 0.62 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3cae s VAL 140 Cb -0.47 -1.95 -0.14 0.00 0.00 0.00 0.00 36.38 33.81 3cae s VAL 140 CO 0.57 0.44 1.92 -0.81 0.00 0.00 0.00 175.10 177.23 3cae n PRO 141 N 4.60 1.34 -0.19 2.72 -0.04 -1.26 -4.74 135.00 137.43 3cae n PRO 141 Ca -0.20 -2.12 -0.00 0.00 -0.04 0.00 0.00 63.50 61.14 3cae n PRO 141 Cb 0.49 -3.42 0.23 0.00 -0.04 0.00 0.00 33.50 30.76 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 9.33 0.92 -0.43 0.54 -1.00 -1.96 -0.46 116.94 123.88 3cae h PHE 142 Ca 0.27 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.14 3cae h PHE 142 Cb 0.84 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 3cae h PHE 142 CO 1.19 0.62 0.30 -0.44 -1.61 0.00 0.00 178.31 178.37 3cae h ASP 143 N 0.96 0.09 1.60 2.17 3.32 -2.05 0.54 116.42 123.06 3cae h ASP 143 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3cae h ASP 143 Cb -0.01 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3cae h ASP 143 CO -0.04 0.06 -0.03 0.03 -1.72 0.00 0.00 179.24 177.53 3cae h ARG 144 N 0.10 0.00 -6.86 3.56 2.47 -1.47 -3.46 114.38 108.73 3cae h ARG 144 Ca 0.20 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.48 3cae h ARG 144 Cb 0.66 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.03 3cae h ARG 144 CO -0.02 0.03 -0.02 -0.51 0.56 0.00 0.00 179.97 180.01 3cae s LEU 145 N -6.23 3.23 -0.14 3.04 1.43 0.19 -5.11 118.68 115.09 3cae s LEU 145 Ca 0.05 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3cae s LEU 145 Cb 0.07 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.67 3cae s LEU 145 CO 0.63 -1.26 -0.05 -0.54 0.23 0.00 0.00 176.35 175.36 3cae s LYS 146 N -4.81 1.31 0.70 1.70 1.02 -1.26 -4.98 119.74 113.42 3cae s LYS 146 Ca 0.59 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 56.13 3cae s LYS 146 Cb -0.09 -1.74 0.01 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 2.93 0.00 1.68 1.70 -1.26 -5.11 118.95 120.61 3cae s ARG 147 Ca 0.03 0.77 0.25 0.00 -0.47 0.00 0.00 55.73 56.31 3cae s ARG 147 Cb -0.14 -2.00 1.51 0.00 -0.57 0.00 0.00 34.95 33.74 3cae s ARG 147 CO -0.08 -1.05 1.86 0.36 -1.08 0.00 0.00 175.30 175.31