#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilu s GLU 2 N 0.00 4.32 0.00 0.00 2.12 -1.26 -3.65 118.70 120.23 1ilu s GLU 2 Ca 0.00 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1ilu s GLU 2 Cb 0.00 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1ilu s GLU 2 CO 0.00 -0.04 0.00 0.00 -0.54 0.00 0.00 175.26 174.68 1ilu s SER 4 N -2.00 0.17 0.06 0.00 1.04 -1.24 -0.65 113.70 111.07 1ilu s SER 4 Ca 0.00 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1ilu s SER 4 Cb 0.00 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 1ilu s SER 4 CO 0.00 -0.58 0.01 0.54 0.98 0.00 0.00 173.24 174.20 1ilu s VAL 5 N -3.01 0.20 -0.08 5.02 0.11 -0.14 0.11 120.40 122.62 1ilu s VAL 5 Ca -0.02 -1.65 0.04 0.00 -2.93 0.00 0.00 61.98 57.42 1ilu s VAL 5 Cb 0.01 -1.43 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1ilu s VAL 5 CO -0.06 -0.91 -0.19 -1.81 -3.33 0.00 0.00 175.10 168.79 1ilu s ASP 6 N -2.85 3.57 -0.06 3.54 1.01 -1.26 -1.65 116.67 118.98 1ilu s ASP 6 Ca 0.06 -0.38 -0.04 0.00 0.71 0.00 0.00 52.55 52.90 1ilu s ASP 6 Cb 0.07 -1.06 0.02 0.00 1.01 0.00 0.00 42.92 42.96 1ilu s ASP 6 CO -0.10 0.25 0.14 -0.51 0.21 0.00 0.00 175.17 175.16 1ilu s ILE 7 N -0.17 -0.02 -0.01 0.77 2.07 -0.30 -4.95 121.20 118.58 1ilu s ILE 7 Ca -0.02 0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1ilu s ILE 7 Cb -0.14 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1ilu s ILE 7 CO 0.04 0.03 -0.12 -1.10 -1.91 0.00 0.00 174.94 171.87 1ilu s GLN 8 N 0.56 2.44 -0.18 3.50 1.11 -1.26 -1.49 119.66 124.33 1ilu s GLN 8 Ca -0.04 -0.76 0.01 0.00 0.01 0.00 0.00 55.36 54.58 1ilu s GLN 8 Cb -0.06 -2.39 0.02 0.00 -1.01 0.00 0.00 33.01 29.58 1ilu s GLN 8 CO -0.03 0.60 -0.18 0.20 0.01 0.00 0.00 175.29 175.90 1ilu s GLY 9 N -1.10 1.34 0.22 3.09 0.00 -0.77 -1.74 107.32 108.36 1ilu s GLY 9 Ca 0.14 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1ilu s GLY 9 CO 0.04 0.38 0.31 1.16 0.00 0.00 0.00 173.10 174.98 1ilu n ASN 10 N 4.64 0.80 -0.04 1.64 0.23 -0.91 -3.51 115.26 118.11 1ilu n ASN 10 Ca -0.19 -1.58 0.14 0.00 -0.53 0.00 0.00 54.58 52.42 1ilu n ASN 10 Cb 0.49 -0.16 0.84 0.00 -2.08 0.00 0.00 39.78 38.87 1ilu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ilu n ASP 11 N -2.75 0.12 -1.61 0.53 8.00 -1.23 -3.11 116.55 116.50 1ilu n ASP 11 Ca 0.06 -1.12 -0.13 0.00 0.71 0.00 0.00 54.79 54.31 1ilu n ASP 11 Cb 0.23 -0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.50 1ilu n ASP 11 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1ilu n GLN 12 N -0.87 2.11 -2.76 -1.24 -0.06 -1.26 -4.95 117.38 108.35 1ilu n GLN 12 Ca 0.22 -3.21 -0.04 0.00 -2.00 0.00 0.00 57.00 51.97 1ilu n GLN 12 Cb 0.12 -1.98 0.00 0.00 -4.06 0.00 0.00 30.24 24.32 1ilu n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ilu n MET 13 N -1.10 -0.26 -4.55 3.69 0.00 -1.18 -4.99 117.12 108.73 1ilu n MET 13 Ca 0.44 0.05 -0.21 0.00 0.00 0.00 0.00 57.70 57.98 1ilu n MET 13 Cb 1.19 -0.23 -0.15 0.00 0.00 0.00 0.00 33.22 34.03 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ilu s GLN 14 N -2.63 1.07 0.26 3.17 -0.21 -1.26 -4.42 119.66 115.64 1ilu s GLN 14 Ca 0.01 -0.43 -0.11 0.00 0.02 0.00 0.00 55.36 54.84 1ilu s GLN 14 Cb -0.00 -1.01 -0.08 0.00 1.00 0.00 0.00 33.01 32.92 1ilu s GLN 14 CO 0.12 0.23 0.61 -0.06 -2.12 0.00 0.00 175.29 174.07 1ilu s PHE 15 N -0.16 3.41 -0.30 0.91 0.08 -1.26 -2.15 117.98 118.52 1ilu s PHE 15 Ca 0.02 0.98 0.25 0.00 0.12 0.00 0.00 56.93 58.31 1ilu s PHE 15 Cb -0.06 -2.35 0.57 0.00 -0.57 0.00 0.00 43.02 40.61 1ilu s PHE 15 CO -0.00 0.22 1.69 -2.95 -0.10 0.00 0.00 175.22 174.08 1ilu h ASN 16 N 2.47 0.00 -3.85 1.36 -1.07 -1.73 -3.45 115.58 109.32 1ilu h ASN 16 Ca -0.47 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.52 1ilu h ASN 16 Cb 1.17 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 37.26 1ilu h ASN 16 CO 0.68 0.03 -0.73 0.28 0.07 0.00 0.00 177.43 177.75 1ilu s THR 17 N -3.31 1.34 0.00 6.14 -1.32 -1.26 -5.05 115.64 112.18 1ilu s THR 17 Ca 0.05 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 1ilu s THR 17 Cb 0.06 -1.76 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1ilu s THR 17 CO 0.64 -0.59 0.36 -0.46 -2.21 0.00 0.00 174.62 172.36 1ilu n ASN 18 N 0.05 0.71 -3.71 8.08 6.94 -1.26 -4.94 115.26 121.13 1ilu n ASN 18 Ca -0.12 -0.89 -0.13 0.00 -0.02 0.00 0.00 54.58 53.42 1ilu n ASN 18 Cb 0.59 0.17 -0.10 0.00 -2.36 0.00 0.00 39.78 38.08 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ilu s ALA 19 N -0.17 -1.18 -0.01 -2.53 0.00 -1.26 -1.91 121.76 114.71 1ilu s ALA 19 Ca 0.00 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.45 1ilu s ALA 19 Cb 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1ilu s ALA 19 CO 0.00 -0.24 -0.24 0.42 0.00 0.00 0.00 175.76 175.70 1ilu s ILE 20 N 0.49 1.94 -0.13 0.00 1.09 -0.48 -4.98 121.20 119.12 1ilu s ILE 20 Ca -0.02 -1.10 0.02 0.00 -1.10 0.00 0.00 60.65 58.45 1ilu s ILE 20 Cb -0.04 -1.62 0.01 0.00 -1.06 0.00 0.00 42.46 39.75 1ilu s ILE 20 CO -0.02 0.50 -0.20 -0.89 -0.10 0.00 0.00 174.94 174.23 1ilu s THR 21 N -0.62 1.87 -0.19 2.92 2.01 -1.26 -0.84 115.64 119.53 1ilu s THR 21 Ca 0.10 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 1ilu s THR 21 Cb -0.09 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1ilu s THR 21 CO -0.00 0.51 0.15 -0.69 -0.69 0.00 0.00 174.62 173.90 1ilu s VAL 22 N 0.87 5.40 0.04 3.82 1.01 0.20 -4.97 120.40 126.76 1ilu s VAL 22 Ca -0.07 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1ilu s VAL 22 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ilu s VAL 22 CO -0.02 0.45 0.93 -0.62 0.00 0.00 0.00 175.10 175.84 1ilu s ASP 23 N 0.24 7.37 0.51 3.32 2.15 -1.26 -0.75 116.67 128.23 1ilu s ASP 23 Ca 0.10 1.64 0.32 0.00 0.43 0.00 0.00 52.55 55.05 1ilu s ASP 23 Cb -0.11 -2.55 1.34 0.00 -0.30 0.00 0.00 42.92 41.29 1ilu s ASP 23 CO -0.01 -0.16 1.95 0.11 -0.17 0.00 0.00 175.17 176.90 1ilu h LYS 24 N 6.28 0.00 0.00 4.34 1.57 -1.49 -3.08 116.57 124.19 1ilu h LYS 24 Ca -0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1ilu h LYS 24 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ilu h LYS 24 CO 0.74 0.00 -0.04 0.77 -0.57 0.00 0.00 179.45 180.35 1ilu h SER 25 N 0.00 0.00 -3.52 0.86 0.02 -1.94 -3.44 113.55 105.53 1ilu h SER 25 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1ilu h SER 25 Cb 0.47 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.04 1ilu h SER 25 CO 0.00 0.04 0.60 0.00 -1.14 0.00 0.00 176.83 176.33 1ilu h LYS 27 N 4.93 0.27 -6.25 0.00 6.56 -1.90 -3.42 116.57 116.76 1ilu h LYS 27 Ca -0.45 -0.46 -0.57 0.00 -1.06 0.00 0.00 60.65 58.11 1ilu h LYS 27 Cb 1.22 0.17 -0.21 0.00 -0.57 0.00 0.00 32.23 32.83 1ilu h LYS 27 CO 0.74 1.22 -0.83 -0.65 -2.06 0.00 0.00 179.45 177.87 1ilu s GLN 28 N -2.51 1.19 -0.03 3.15 -0.21 -1.26 -1.20 119.66 118.80 1ilu s GLN 28 Ca -0.20 -1.22 0.05 0.00 0.02 0.00 0.00 55.36 54.00 1ilu s GLN 28 Cb 0.05 -1.46 -0.01 0.00 1.00 0.00 0.00 33.01 32.59 1ilu s GLN 28 CO 0.78 0.34 -0.17 0.12 -2.12 0.00 0.00 175.29 174.23 1ilu s PHE 29 N -1.27 1.64 -0.10 0.91 5.36 -0.00 -4.83 117.98 119.70 1ilu s PHE 29 Ca 0.09 -0.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 1ilu s PHE 29 Cb -0.09 -1.08 -0.02 0.00 -0.34 0.00 0.00 43.02 41.49 1ilu s PHE 29 CO 0.05 -0.09 -0.14 0.99 -1.46 0.00 0.00 175.22 174.56 1ilu s THR 30 N -0.20 2.97 -0.18 0.12 2.01 0.18 -1.96 115.64 118.58 1ilu s THR 30 Ca 0.02 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 1ilu s THR 30 Cb -0.09 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1ilu s THR 30 CO 0.01 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 1ilu s VAL 31 N -0.07 3.33 -0.28 3.82 1.01 -0.45 -0.97 120.40 126.79 1ilu s VAL 31 Ca -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1ilu s VAL 31 Cb -0.14 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1ilu s VAL 31 CO 0.04 0.46 0.02 0.20 0.00 0.00 0.00 175.10 175.82 1ilu s ASN 32 N 1.00 4.81 -0.14 3.32 0.01 -0.66 -1.99 114.94 121.29 1ilu s ASN 32 Ca -0.00 -0.90 -0.09 0.00 -0.71 0.00 0.00 52.86 51.16 1ilu s ASN 32 Cb -0.15 -1.77 -0.05 0.00 0.41 0.00 0.00 41.25 39.69 1ilu s ASN 32 CO -0.00 -0.19 0.17 -0.22 -1.51 0.00 0.00 177.10 175.35 1ilu s LEU 33 N 1.39 4.32 0.09 0.60 2.96 0.68 -1.15 118.68 127.56 1ilu s LEU 33 Ca 0.00 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 1ilu s LEU 33 Cb -0.18 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1ilu s LEU 33 CO -0.01 0.30 -0.17 -0.94 -1.32 0.00 0.00 176.35 174.21 1ilu s SER 34 N -0.42 2.07 -0.40 3.68 1.04 -0.56 -0.91 113.70 118.20 1ilu s SER 34 Ca 0.13 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1ilu s SER 34 Cb -0.12 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.02 1ilu s SER 34 CO 0.03 -0.02 0.13 -2.28 0.98 0.00 0.00 173.24 172.08 1ilu s HIS 35 N -1.24 3.60 0.44 5.02 2.46 -0.92 -1.85 115.29 122.80 1ilu s HIS 35 Ca 0.02 -2.99 -0.26 0.00 0.47 0.00 0.00 55.06 52.31 1ilu s HIS 35 Cb -0.10 -2.94 -0.09 0.00 -0.13 0.00 0.00 32.58 29.32 1ilu s HIS 35 CO 0.03 -0.90 1.45 -1.25 -2.47 0.00 0.00 174.74 171.61 1ilu s PRO 36 N 0.61 3.72 0.00 2.88 0.04 -1.23 -1.93 135.00 139.09 1ilu s PRO 36 Ca 0.12 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1ilu s PRO 36 Cb -0.21 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1ilu s PRO 36 CO -0.06 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1ilu n GLY 37 N 0.55 0.66 0.00 0.56 0.00 -1.26 -3.48 105.19 102.22 1ilu n GLY 37 Ca 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1ilu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ilu n ASN 38 N 0.00 0.00 -4.85 1.61 4.13 -1.26 -4.63 115.26 110.26 1ilu n ASN 38 Ca 0.00 -0.81 -0.35 0.00 1.68 0.00 0.00 54.58 55.09 1ilu n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ilu s LEU 39 N 0.00 4.35 0.89 3.41 1.43 -1.26 -4.91 118.68 122.59 1ilu s LEU 39 Ca 0.00 0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 1ilu s LEU 39 Cb 0.00 -3.14 0.13 0.00 0.03 0.00 0.00 46.19 43.21 1ilu s LEU 39 CO 0.00 0.14 1.12 -2.16 0.23 0.00 0.00 176.35 175.68 1ilu s PRO 40 N -1.89 1.30 0.19 1.29 0.04 -1.26 -2.81 135.00 131.87 1ilu s PRO 40 Ca 0.35 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 1ilu s PRO 40 Cb -0.15 -1.85 0.21 0.00 0.04 0.00 0.00 34.50 32.76 1ilu s PRO 40 CO 0.19 -2.12 1.70 -0.22 0.04 0.00 0.00 177.00 176.59 1ilu h LYS 41 N -1.44 0.19 0.00 4.56 3.64 -1.85 0.59 116.57 122.26 1ilu h LYS 41 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1ilu h LYS 41 Cb 1.31 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1ilu h LYS 41 CO 0.60 0.13 0.00 0.27 -2.27 0.00 0.00 179.45 178.18 1ilu n ASN 42 N -5.16 0.00 -0.05 4.20 6.94 -1.26 -0.21 115.26 119.73 1ilu n ASN 42 Ca 0.06 -0.58 -0.10 0.00 -0.02 0.00 0.00 54.58 53.94 1ilu n ASN 42 Cb 0.27 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.57 1ilu n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ilu n VAL 43 N -1.08 0.62 -2.64 3.53 0.31 -0.48 -4.86 118.33 113.73 1ilu n VAL 43 Ca 0.17 -0.10 -0.19 0.00 -0.01 0.00 0.00 64.34 64.21 1ilu n VAL 43 Cb 0.12 -1.66 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1ilu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ilu n MET 44 N -3.49 2.25 -2.49 5.55 0.00 0.08 -5.00 117.12 114.02 1ilu n MET 44 Ca -0.19 -3.91 -0.37 0.00 -0.00 0.00 0.00 57.70 53.23 1ilu n MET 44 Cb 0.60 -1.77 -0.04 0.00 0.00 0.00 0.00 33.22 32.01 1ilu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ilu s GLY 45 N -3.28 2.81 0.06 -5.12 0.00 0.71 -4.74 107.32 97.77 1ilu s GLY 45 Ca 0.38 0.77 0.04 0.00 0.00 0.00 0.00 44.72 45.92 1ilu s GLY 45 CO -0.08 1.25 -0.11 0.30 0.00 0.00 0.00 173.10 174.45 1ilu s HIS 46 N -1.53 0.98 0.26 1.90 3.76 -0.24 -4.76 115.29 115.65 1ilu s HIS 46 Ca 0.55 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 1ilu s HIS 46 Cb -0.25 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 1ilu s HIS 46 CO 0.31 -0.01 0.18 0.54 -0.85 0.00 0.00 174.74 174.92 1ilu s ASN 47 N -1.73 0.93 -0.12 1.40 4.22 -1.26 -0.45 114.94 117.93 1ilu s ASN 47 Ca -0.05 -1.53 0.01 0.00 -2.14 0.00 0.00 52.86 49.14 1ilu s ASN 47 Cb -0.09 0.43 0.02 0.00 1.28 0.00 0.00 41.25 42.88 1ilu s ASN 47 CO 0.01 -0.91 -0.12 0.86 -2.04 0.00 0.00 177.10 174.90 1ilu s TRP 48 N -3.82 1.78 -0.06 1.54 -0.00 -1.26 -4.17 118.94 112.95 1ilu s TRP 48 Ca 0.39 -0.89 0.04 0.00 -0.00 0.00 0.00 56.10 55.63 1ilu s TRP 48 Cb 0.05 -1.36 0.00 0.00 -0.00 0.00 0.00 33.47 32.17 1ilu s TRP 48 CO 0.18 -0.52 -0.17 0.08 -0.00 0.00 0.00 176.95 176.52 1ilu s VAL 49 N 1.35 1.49 -0.03 5.86 1.01 0.69 -1.32 120.40 129.44 1ilu s VAL 49 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1ilu s VAL 49 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1ilu s VAL 49 CO -0.06 0.43 -0.03 -0.22 0.00 0.00 0.00 175.10 175.22 1ilu s LEU 50 N 0.33 3.35 0.33 3.92 2.96 -0.53 -1.48 118.68 127.55 1ilu s LEU 50 Ca -0.11 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1ilu s LEU 50 Cb -0.15 -1.84 0.05 0.00 0.50 0.00 0.00 46.19 44.75 1ilu s LEU 50 CO 0.04 0.32 0.80 -0.94 -1.32 0.00 0.00 176.35 175.26 1ilu s SER 51 N -1.21 -0.08 0.87 3.68 1.04 -0.89 -0.72 113.70 116.39 1ilu s SER 51 Ca 0.16 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 1ilu s SER 51 Cb -0.11 0.77 0.11 0.00 0.10 0.00 0.00 66.02 66.89 1ilu s SER 51 CO 0.06 -1.50 1.09 0.42 0.98 0.00 0.00 173.24 174.29 1ilu s THR 52 N -2.78 2.82 0.27 2.02 -4.23 -1.26 -0.94 115.64 111.53 1ilu s THR 52 Ca 0.15 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1ilu s THR 52 Cb -0.05 -2.75 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1ilu s THR 52 CO 0.09 -0.35 1.89 0.00 -0.54 0.00 0.00 174.62 175.71 1ilu h ALA 53 N -1.45 1.26 -0.06 3.99 0.00 -0.47 -2.55 119.26 119.97 1ilu h ALA 53 Ca -0.48 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 1ilu h ALA 53 Cb 1.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ilu h ALA 53 CO 0.54 0.60 -0.51 0.00 0.00 0.00 0.00 179.25 179.88 1ilu h ALA 54 N 1.36 1.04 0.00 0.00 0.00 -1.93 -3.21 119.26 116.52 1ilu h ALA 54 Ca 0.28 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ilu h ALA 54 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ilu h ALA 54 CO -0.04 0.65 -0.18 -0.25 0.00 0.00 0.00 179.25 179.43 1ilu n ASP 55 N -3.94 0.59 -0.10 0.00 8.00 -0.98 -4.45 116.55 115.67 1ilu n ASP 55 Ca -0.02 0.39 -0.05 0.00 0.71 0.00 0.00 54.79 55.82 1ilu n ASP 55 Cb 0.54 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1ilu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ilu h MET 56 N 0.00 -0.01 -0.27 -1.24 4.05 -1.51 -1.91 114.93 114.03 1ilu h MET 56 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1ilu h MET 56 Cb 0.67 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1ilu h MET 56 CO 0.00 -0.01 0.01 0.37 0.23 0.00 0.00 176.91 177.51 1ilu h GLN 57 N -0.01 0.41 -0.01 0.39 5.75 -1.82 -1.80 115.11 118.01 1ilu h GLN 57 Ca 0.18 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1ilu h GLN 57 Cb 0.28 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1ilu h GLN 57 CO -0.38 0.43 0.00 0.78 -2.65 0.00 0.00 178.83 177.00 1ilu h GLY 58 N 0.70 0.02 0.99 2.39 0.00 -1.65 -1.32 103.07 104.20 1ilu h GLY 58 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ilu h GLY 58 CO 0.00 0.01 0.22 -2.08 0.00 0.00 0.00 176.54 174.69 1ilu h VAL 59 N -0.26 1.10 0.09 4.60 2.07 -1.11 -1.78 116.25 120.96 1ilu h VAL 59 Ca 0.00 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1ilu h VAL 59 Cb 0.29 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ilu h VAL 59 CO 0.00 0.10 -0.10 0.58 0.02 0.00 0.00 177.57 178.16 1ilu h VAL 60 N 0.45 0.76 -0.06 2.57 2.07 -1.26 -0.19 116.25 120.59 1ilu h VAL 60 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1ilu h VAL 60 Cb -0.03 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1ilu h VAL 60 CO -0.03 0.00 -0.09 0.74 0.02 0.00 0.00 177.57 178.22 1ilu h THR 61 N -0.22 0.76 0.00 2.57 2.02 -1.14 -0.93 112.91 115.97 1ilu h THR 61 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1ilu h THR 61 Cb 0.22 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1ilu h THR 61 CO -0.04 0.00 -0.56 0.44 0.37 0.00 0.00 175.52 175.73 1ilu h ASP 62 N -0.13 0.00 -0.33 4.18 3.32 -1.27 -2.27 116.42 119.93 1ilu h ASP 62 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1ilu h ASP 62 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ilu h ASP 62 CO -0.13 0.56 0.04 1.23 -1.72 0.00 0.00 179.24 179.23 1ilu h GLY 63 N 1.69 0.60 0.74 2.75 0.00 -0.84 -0.16 103.07 107.85 1ilu h GLY 63 Ca -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1ilu h GLY 63 CO 0.07 0.38 0.27 1.98 0.00 0.00 0.00 176.54 179.24 1ilu h MET 64 N 0.38 0.52 0.00 4.80 1.85 -0.99 -1.01 114.93 120.48 1ilu h MET 64 Ca 0.10 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1ilu h MET 64 Cb 0.37 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.28 1ilu h MET 64 CO 0.01 0.34 -0.10 0.00 -0.40 0.00 0.00 176.91 176.76 1ilu h ALA 65 N 1.28 1.17 0.00 0.39 0.00 -1.09 -3.17 119.26 117.83 1ilu h ALA 65 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ilu h ALA 65 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ilu h ALA 65 CO -0.15 0.12 0.00 0.77 0.00 0.00 0.00 179.25 179.99 1ilu h SER 66 N 0.00 0.00 -4.24 0.00 0.02 0.38 -3.50 113.55 106.21 1ilu h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ilu h SER 66 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1ilu h SER 66 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1ilu n GLY 67 N 0.91 -1.22 0.28 -3.77 0.00 -1.20 -3.87 105.19 96.34 1ilu n GLY 67 Ca 0.04 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.44 1ilu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ilu h LEU 68 N 0.00 0.59 -1.70 0.99 5.85 -1.91 0.22 115.31 119.35 1ilu h LEU 68 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1ilu h LEU 68 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1ilu h LEU 68 CO 0.00 0.63 0.20 -2.24 -0.34 0.00 0.00 178.44 176.68 1ilu h ASP 69 N 0.61 0.35 -0.60 1.25 2.03 -2.01 -0.04 116.42 118.01 1ilu h ASP 69 Ca 0.13 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1ilu h ASP 69 Cb 0.31 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1ilu h ASP 69 CO 0.01 0.25 0.00 0.29 -1.03 0.00 0.00 179.24 178.76 1ilu n LYS 70 N -4.49 2.64 -3.19 4.15 4.76 -0.43 -4.92 118.16 116.69 1ilu n LYS 70 Ca 0.01 -2.25 -0.23 0.00 -2.87 0.00 0.00 58.31 52.97 1ilu n LYS 70 Cb 0.07 -1.56 0.02 0.00 -1.84 0.00 0.00 35.03 31.73 1ilu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ilu n ASP 71 N 1.19 -5.27 -3.74 4.39 9.92 -0.03 -2.97 116.55 120.05 1ilu n ASP 71 Ca 0.21 -0.35 -0.24 0.00 -0.53 0.00 0.00 54.79 53.88 1ilu n ASP 71 Cb 0.58 -4.28 0.04 0.00 -0.64 0.00 0.00 41.12 36.82 1ilu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ilu n TYR 72 N -4.35 -2.11 -3.73 1.24 4.01 -0.07 -4.84 117.16 107.31 1ilu n TYR 72 Ca -0.07 0.88 -0.12 0.00 -0.16 0.00 0.00 57.90 58.43 1ilu n TYR 72 Cb 0.59 -4.37 -0.13 0.00 -0.31 0.00 0.00 39.34 35.13 1ilu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ilu s LEU 73 N -6.87 0.48 0.25 7.72 1.43 -1.16 -4.23 118.68 116.30 1ilu s LEU 73 Ca 0.23 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 1ilu s LEU 73 Cb -0.11 0.81 -0.11 0.00 0.03 0.00 0.00 46.19 46.81 1ilu s LEU 73 CO 0.81 -0.15 1.52 -0.75 0.23 0.00 0.00 176.35 178.01 1ilu s LYS 74 N 1.08 4.20 0.52 1.70 2.20 -1.26 -4.79 119.74 123.38 1ilu s LYS 74 Ca -0.08 2.43 -0.22 0.00 -0.36 0.00 0.00 55.97 57.73 1ilu s LYS 74 Cb -0.09 -3.08 -0.06 0.00 -1.51 0.00 0.00 37.83 33.09 1ilu s LYS 74 CO -0.07 -0.53 1.29 -2.30 -0.36 0.00 0.00 175.35 173.37 1ilu n PRO 75 N 2.52 1.68 -4.42 4.03 -0.02 -1.26 -3.48 135.00 134.05 1ilu n PRO 75 Ca 0.08 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 1ilu n PRO 75 Cb 0.39 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1ilu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ilu n ASP 76 N -0.63 -1.72 -4.64 2.55 8.00 -1.26 -4.86 116.55 114.00 1ilu n ASP 76 Ca 0.10 -1.19 -0.43 0.00 0.71 0.00 0.00 54.79 53.98 1ilu n ASP 76 Cb 0.43 -1.93 -0.02 0.00 -0.02 0.00 0.00 41.12 39.58 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ilu s ASP 77 N -3.47 6.59 0.59 -2.24 -1.08 -1.23 -4.89 116.67 110.95 1ilu s ASP 77 Ca 0.66 1.60 0.36 0.00 -0.52 0.00 0.00 52.55 54.65 1ilu s ASP 77 Cb -0.38 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.36 1ilu s ASP 77 CO 1.00 -1.08 2.16 0.77 0.52 0.00 0.00 175.17 178.54 1ilu h SER 78 N 9.75 0.00 1.46 -0.34 4.64 -1.94 -3.12 113.55 124.00 1ilu h SER 78 Ca -0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1ilu h SER 78 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ilu h SER 78 CO 1.00 0.03 -0.54 0.03 -0.87 0.00 0.00 176.83 176.48 1ilu h ARG 79 N 0.00 0.00 -6.60 4.77 3.08 -1.98 -3.44 114.38 110.21 1ilu h ARG 79 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1ilu h ARG 79 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1ilu h ARG 79 CO 0.00 0.01 1.02 0.08 -1.07 0.00 0.00 179.97 180.01 1ilu s VAL 80 N -3.28 4.02 0.11 2.04 1.01 -1.18 -4.49 120.40 118.62 1ilu s VAL 80 Ca 0.03 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 1ilu s VAL 80 Cb 0.07 -4.39 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 1ilu s VAL 80 CO 0.73 -0.90 1.32 0.40 0.00 0.00 0.00 175.10 176.65 1ilu h ILE 81 N 6.37 1.27 -2.86 2.22 2.04 -1.23 -3.48 117.51 121.85 1ilu h ILE 81 Ca -0.26 -1.95 0.02 0.00 1.00 0.00 0.00 64.86 63.68 1ilu h ILE 81 Cb 1.09 1.94 -0.11 0.00 -0.74 0.00 0.00 36.82 38.99 1ilu h ILE 81 CO 1.11 0.62 0.27 0.00 0.00 0.00 0.00 178.15 180.15 1ilu s ALA 82 N -3.79 -1.59 -0.17 1.87 0.00 -1.24 -5.01 121.76 111.83 1ilu s ALA 82 Ca -0.10 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1ilu s ALA 82 Cb 0.09 0.80 0.11 0.00 0.00 0.00 0.00 23.12 24.11 1ilu s ALA 82 CO 0.91 -0.80 0.91 -3.38 0.00 0.00 0.00 175.76 173.40 1ilu s HIS 83 N -3.65 -0.49 0.73 0.00 -3.43 -1.26 -1.45 115.29 105.73 1ilu s HIS 83 Ca 0.03 0.95 -0.04 0.00 -0.80 0.00 0.00 55.06 55.20 1ilu s HIS 83 Cb -0.02 0.41 0.11 0.00 -1.43 0.00 0.00 32.58 31.65 1ilu s HIS 83 CO -0.09 -0.38 1.01 0.95 -2.00 0.00 0.00 174.74 174.23 1ilu s THR 84 N -0.72 2.24 1.03 -5.38 -4.23 -0.43 -4.81 115.64 103.33 1ilu s THR 84 Ca -0.03 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 59.94 1ilu s THR 84 Cb -0.02 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.22 1ilu s THR 84 CO 0.02 0.00 1.07 -0.75 -0.54 0.00 0.00 174.62 174.42 1ilu s LYS 85 N -5.22 0.20 -0.26 3.99 2.47 -1.26 -4.65 119.74 115.00 1ilu s LYS 85 Ca 0.64 0.78 -0.17 0.00 -1.56 0.00 0.00 55.97 55.67 1ilu s LYS 85 Cb -0.07 -1.69 -0.03 0.00 -1.46 0.00 0.00 37.83 34.58 1ilu s LYS 85 CO 0.45 -2.96 0.45 -1.17 0.16 0.00 0.00 175.35 172.28 1ilu s LEU 86 N -6.68 4.05 0.18 5.43 2.96 -1.26 -4.39 118.68 118.97 1ilu s LEU 86 Ca 0.66 0.42 0.11 0.00 -0.22 0.00 0.00 54.13 55.10 1ilu s LEU 86 Cb -0.21 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1ilu s LEU 86 CO 0.60 -0.24 -0.22 0.27 -1.32 0.00 0.00 176.35 175.44 1ilu s ILE 87 N 2.19 2.50 0.32 6.68 -4.36 0.41 -4.86 121.20 124.08 1ilu s ILE 87 Ca 0.18 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 58.68 1ilu s ILE 87 Cb -0.16 -2.20 0.06 0.00 1.25 0.00 0.00 42.46 41.41 1ilu s ILE 87 CO 0.09 -0.09 0.45 0.61 0.24 0.00 0.00 174.94 176.24 1ilu n GLY 88 N 0.29 1.69 3.77 6.27 0.00 -1.26 -1.08 105.19 114.87 1ilu n GLY 88 Ca -0.13 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 1ilu n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ilu s SER 89 N -2.96 5.85 0.00 1.61 1.04 -1.12 -2.64 113.70 115.48 1ilu s SER 89 Ca 0.33 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.12 1ilu s SER 89 Cb -0.02 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1ilu s SER 89 CO 0.21 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1ilu n GLY 90 N 0.44 2.62 3.90 7.32 0.00 -0.81 -4.99 105.19 113.67 1ilu n GLY 90 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ilu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilu s GLU 91 N -0.08 3.56 0.06 1.61 2.02 -1.08 -4.94 118.70 119.85 1ilu s GLU 91 Ca 0.00 -0.20 0.05 0.00 0.02 0.00 0.00 54.97 54.85 1ilu s GLU 91 Cb 0.00 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1ilu s GLU 91 CO 0.00 0.51 -0.15 0.21 0.02 0.00 0.00 175.26 175.85 1ilu s LYS 92 N -2.60 0.91 0.24 1.61 2.47 -1.26 -2.17 119.74 118.94 1ilu s LYS 92 Ca 0.39 -0.90 -0.13 0.00 -1.56 0.00 0.00 55.97 53.77 1ilu s LYS 92 Cb -0.12 -0.95 -0.00 0.00 -1.46 0.00 0.00 37.83 35.29 1ilu s LYS 92 CO 0.26 0.22 0.48 0.34 0.16 0.00 0.00 175.35 176.80 1ilu s ASP 93 N -1.50 -0.10 0.18 1.43 2.15 -0.09 -5.00 116.67 113.73 1ilu s ASP 93 Ca 0.01 -0.88 -0.05 0.00 0.43 0.00 0.00 52.55 52.06 1ilu s ASP 93 Cb -0.09 0.58 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 1ilu s ASP 93 CO 0.02 -1.12 0.20 -0.44 -0.17 0.00 0.00 175.17 173.65 1ilu s SER 94 N -3.00 0.13 -0.11 -0.34 0.01 -1.26 -0.23 113.70 108.90 1ilu s SER 94 Ca 0.21 -1.13 -0.09 0.00 1.31 0.00 0.00 55.95 56.25 1ilu s SER 94 Cb -0.01 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.66 1ilu s SER 94 CO 0.07 -0.86 0.29 0.54 0.41 0.00 0.00 173.24 173.69 1ilu s VAL 95 N -4.05 -0.01 -0.09 3.43 0.11 -0.84 -4.78 120.40 114.16 1ilu s VAL 95 Ca 0.26 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.38 1ilu s VAL 95 Cb 0.05 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1ilu s VAL 95 CO 0.05 0.01 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.77 1ilu s THR 96 N 0.46 2.70 0.20 5.04 2.01 -1.26 -1.35 115.64 123.45 1ilu s THR 96 Ca -0.03 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1ilu s THR 96 Cb -0.04 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1ilu s THR 96 CO -0.02 0.56 0.03 0.72 -0.69 0.00 0.00 174.62 175.21 1ilu s PHE 97 N -0.04 1.34 -0.06 4.92 -0.71 -0.83 -4.96 117.98 117.64 1ilu s PHE 97 Ca -0.05 -1.07 -0.22 0.00 -1.04 0.00 0.00 56.93 54.56 1ilu s PHE 97 Cb -0.14 -0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 1ilu s PHE 97 CO 0.04 -0.24 0.64 -0.51 -1.34 0.00 0.00 175.22 173.81 1ilu s ASP 98 N -3.23 6.93 0.45 1.98 1.11 -1.26 -0.82 116.67 121.83 1ilu s ASP 98 Ca 0.29 1.12 0.25 0.00 0.18 0.00 0.00 52.55 54.39 1ilu s ASP 98 Cb 0.07 -2.38 0.81 0.00 1.07 0.00 0.00 42.92 42.49 1ilu s ASP 98 CO 0.07 -0.05 1.78 0.58 1.18 0.00 0.00 175.17 178.73 1ilu h VAL 99 N 4.62 0.36 0.00 -1.27 2.07 -1.40 -2.79 116.25 117.83 1ilu h VAL 99 Ca -0.42 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1ilu h VAL 99 Cb 1.19 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1ilu h VAL 99 CO 0.74 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 176.95 1ilu n SER 100 N -3.24 0.00 -0.04 0.57 3.41 -1.26 -1.81 113.62 111.25 1ilu n SER 100 Ca 0.01 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1ilu n SER 100 Cb 0.46 -0.35 0.31 0.00 -0.26 0.00 0.00 64.21 64.37 1ilu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ilu n LYS 101 N -1.35 0.14 -4.12 4.33 5.02 -1.05 -4.84 118.16 116.29 1ilu n LYS 101 Ca 0.04 -0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 1ilu n LYS 101 Cb 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 1ilu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ilu s LEU 102 N -2.91 3.87 -0.05 -0.35 1.43 -0.75 -5.10 118.68 114.82 1ilu s LEU 102 Ca 0.14 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1ilu s LEU 102 Cb 0.18 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1ilu s LEU 102 CO 0.65 0.31 -0.10 -1.59 0.23 0.00 0.00 176.35 175.85 1ilu s LYS 103 N -0.47 2.59 0.17 1.70 0.00 -1.26 -5.03 119.74 117.42 1ilu s LYS 103 Ca 0.10 -0.65 -0.32 0.00 0.00 0.00 0.00 55.97 55.10 1ilu s LYS 103 Cb -0.12 -2.47 -0.11 0.00 0.00 0.00 0.00 37.83 35.13 1ilu s LYS 103 CO 0.02 0.63 1.73 -2.00 0.00 0.00 0.00 175.35 175.73 1ilu s GLU 104 N -0.89 4.15 -0.32 1.78 2.56 -1.26 -2.44 118.70 122.27 1ilu s GLU 104 Ca 0.13 2.55 -0.00 0.00 0.00 0.00 0.00 54.97 57.64 1ilu s GLU 104 Cb -0.11 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.74 1ilu s GLU 104 CO 0.02 -0.76 0.02 0.41 -0.56 0.00 0.00 175.26 174.39 1ilu n GLY 105 N 4.02 0.25 3.17 -1.50 0.00 -1.26 -5.05 105.19 104.82 1ilu n GLY 105 Ca 0.16 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 1ilu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilu s GLU 106 N -4.27 0.96 -0.20 1.61 -6.30 -1.02 -5.14 118.70 104.34 1ilu s GLU 106 Ca 0.01 -0.84 -0.05 0.00 -2.50 0.00 0.00 54.97 51.58 1ilu s GLU 106 Cb -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 34.13 33.11 1ilu s GLU 106 CO 0.01 0.24 0.01 -0.65 0.02 0.00 0.00 175.26 174.89 1ilu s GLN 107 N -1.32 3.66 0.25 4.30 -0.21 -1.26 -4.87 119.66 120.22 1ilu s GLN 107 Ca 0.02 -0.50 0.08 0.00 0.02 0.00 0.00 55.36 54.98 1ilu s GLN 107 Cb -0.09 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.77 1ilu s GLN 107 CO 0.02 0.03 0.09 0.71 -2.12 0.00 0.00 175.29 174.02 1ilu s TYR 108 N 0.96 2.91 0.02 0.91 2.02 -1.26 0.23 117.35 123.14 1ilu s TYR 108 Ca 0.02 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1ilu s TYR 108 Cb -0.14 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1ilu s TYR 108 CO 0.02 0.57 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.88 1ilu s MET 109 N -3.71 0.38 0.05 -0.62 -1.94 -0.12 -3.52 119.30 109.82 1ilu s MET 109 Ca 0.32 -0.44 0.08 0.00 -1.71 0.00 0.00 55.69 53.94 1ilu s MET 109 Cb -0.07 -0.23 -0.03 0.00 2.01 0.00 0.00 34.83 36.51 1ilu s MET 109 CO 0.22 0.05 -0.20 -1.54 -0.01 0.00 0.00 175.02 173.54 1ilu s SER 110 N -0.86 3.68 0.16 3.03 1.04 0.07 -2.10 113.70 118.72 1ilu s SER 110 Ca -0.06 -0.48 -0.25 0.00 0.48 0.00 0.00 55.95 55.65 1ilu s SER 110 Cb -0.06 -0.53 0.06 0.00 0.10 0.00 0.00 66.02 65.59 1ilu s SER 110 CO -0.00 0.25 0.93 0.72 0.98 0.00 0.00 173.24 176.11 1ilu s PHE 111 N -0.93 -0.15 -0.15 5.02 -0.71 -0.55 -0.35 117.98 120.16 1ilu s PHE 111 Ca 0.14 -0.17 -0.06 0.00 -1.04 0.00 0.00 56.93 55.81 1ilu s PHE 111 Cb -0.10 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1ilu s PHE 111 CO 0.05 -0.86 0.04 0.00 -1.34 0.00 0.00 175.22 173.11 1ilu n THR 113 N 3.09 0.03 -1.70 0.00 -2.24 -1.26 -3.33 114.28 108.87 1ilu n THR 113 Ca -0.17 -0.39 -0.44 0.00 -2.27 0.00 0.00 64.05 60.78 1ilu n THR 113 Cb 0.53 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1ilu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ilu n PHE 114 N 0.75 2.52 -1.70 4.78 -0.00 -1.26 -4.37 117.46 118.18 1ilu n PHE 114 Ca 0.17 0.23 -0.44 0.00 -0.00 0.00 0.00 57.45 57.42 1ilu n PHE 114 Cb 0.47 -2.58 -0.03 0.00 -0.00 0.00 0.00 39.48 37.34 1ilu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ilu n PRO 115 N 3.01 2.56 0.00 -7.13 -0.02 -1.26 -2.10 135.00 130.06 1ilu n PRO 115 Ca 0.14 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1ilu n PRO 115 Cb 0.33 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1ilu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ilu n GLY 116 N 3.82 2.92 0.42 -1.23 0.00 -1.26 -4.88 105.19 104.98 1ilu n GLY 116 Ca 0.17 -0.75 0.24 0.00 0.00 0.00 0.00 46.02 45.68 1ilu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ilu h HIS 117 N 0.00 0.60 -0.25 1.61 3.86 -1.72 -2.04 115.15 117.21 1ilu h HIS 117 Ca 0.00 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1ilu h HIS 117 Cb 0.00 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1ilu h HIS 117 CO 0.00 0.04 0.43 0.66 0.86 0.00 0.00 177.93 179.92 1ilu h SER 118 N 0.34 0.00 -0.67 2.45 4.64 -1.71 0.95 113.55 119.54 1ilu h SER 118 Ca 0.60 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.88 1ilu h SER 118 Cb 1.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.68 1ilu h SER 118 CO -0.28 0.00 0.24 0.00 -0.87 0.00 0.00 176.83 175.92 1ilu h ALA 119 N 1.36 0.88 0.00 5.18 0.00 -1.73 -3.32 119.26 121.64 1ilu h ALA 119 Ca 0.12 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1ilu h ALA 119 Cb 0.98 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1ilu h ALA 119 CO -0.00 0.52 -2.12 1.28 0.00 0.00 0.00 179.25 178.93 1ilu n LEU 120 N -4.37 0.73 -4.33 0.00 4.77 -1.01 -4.82 117.00 107.99 1ilu n LEU 120 Ca 0.05 -0.03 -0.46 0.00 -0.03 0.00 0.00 56.01 55.54 1ilu n LEU 120 Cb 0.19 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1ilu n LEU 120 CO 0.40 0.51 0.62 -0.04 -1.33 0.00 0.00 177.39 177.55 1ilu s MET 121 N -2.39 3.93 -0.20 3.23 -1.94 0.30 -4.68 119.30 117.54 1ilu s MET 121 Ca -0.13 -2.91 -0.27 0.00 -1.71 0.00 0.00 55.69 50.67 1ilu s MET 121 Cb 0.05 -4.49 0.10 0.00 2.01 0.00 0.00 34.83 32.51 1ilu s MET 121 CO 0.61 -1.26 0.89 0.21 -0.01 0.00 0.00 175.02 175.46 1ilu s LYS 122 N -0.68 0.71 0.21 2.03 2.20 -1.26 -1.82 119.74 121.13 1ilu s LYS 122 Ca 0.25 0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 56.15 1ilu s LYS 122 Cb -0.10 0.34 0.06 0.00 -1.51 0.00 0.00 37.83 36.62 1ilu s LYS 122 CO -0.08 -0.15 0.92 0.20 -0.36 0.00 0.00 175.35 175.87 1ilu s GLY 123 N -0.34 -0.04 0.20 5.54 0.00 0.53 -4.92 107.32 108.29 1ilu s GLY 123 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.50 1ilu s GLY 123 CO 0.00 0.51 0.42 -0.51 0.00 0.00 0.00 173.10 173.52 1ilu s THR 124 N -2.97 5.15 -0.22 0.90 -4.23 -0.80 -0.75 115.64 112.72 1ilu s THR 124 Ca 0.15 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1ilu s THR 124 Cb -0.03 -3.69 0.07 0.00 1.34 0.00 0.00 72.50 70.19 1ilu s THR 124 CO 0.05 -0.13 0.07 -0.22 -0.54 0.00 0.00 174.62 173.85 1ilu s LEU 125 N -3.13 1.02 -0.07 4.79 0.20 -1.23 -1.39 118.68 118.86 1ilu s LEU 125 Ca 0.40 -0.93 0.00 0.00 0.69 0.00 0.00 54.13 54.29 1ilu s LEU 125 Cb -0.11 -0.51 -0.03 0.00 -0.43 0.00 0.00 46.19 45.11 1ilu s LEU 125 CO 0.28 -0.35 -0.06 0.42 -0.29 0.00 0.00 176.35 176.35 1ilu s THR 126 N 1.93 3.78 -0.17 3.68 -4.23 -0.02 -4.13 115.64 116.48 1ilu s THR 126 Ca 0.02 -0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 59.95 1ilu s THR 126 Cb -0.17 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1ilu s THR 126 CO -0.14 0.60 0.28 -0.22 -0.54 0.00 0.00 174.62 174.59 1ilu s LEU 127 N -0.79 4.23 0.00 4.79 1.98 -1.26 -0.63 118.68 127.00 1ilu s LEU 127 Ca 0.12 0.47 0.00 0.00 -2.89 0.00 0.00 54.13 51.83 1ilu s LEU 127 Cb -0.11 -2.34 0.00 0.00 0.66 0.00 0.00 46.19 44.40 1ilu s LEU 127 CO 0.02 0.10 0.30 2.29 -1.89 0.00 0.00 176.35 177.17