#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aza n GLN 2 N 0.00 0.00 -1.77 0.00 10.64 -1.26 -3.98 117.38 121.01 2aza n GLN 2 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2aza n GLN 2 Cb 0.00 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.45 2aza n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2aza s GLU 4 N -2.32 0.55 -0.02 0.00 2.02 -1.26 -1.46 118.70 116.22 2aza s GLU 4 Ca 0.36 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 54.52 2aza s GLU 4 Cb 0.37 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.84 2aza s GLU 4 CO -0.08 -0.13 0.32 0.00 0.02 0.00 0.00 175.26 175.39 2aza s ALA 5 N -2.31 -0.81 -0.13 5.21 0.00 -0.78 -2.62 121.76 120.32 2aza s ALA 5 Ca -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 2aza s ALA 5 Cb -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2aza s ALA 5 CO -0.03 -0.26 -0.12 0.99 0.00 0.00 0.00 175.76 176.34 2aza s THR 6 N -1.29 3.19 -0.02 0.00 2.01 -1.26 -0.66 115.64 117.61 2aza s THR 6 Ca -0.13 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.31 2aza s THR 6 Cb -0.05 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2aza s THR 6 CO 0.04 0.52 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.79 2aza s ILE 7 N 0.31 1.56 -0.03 1.82 2.07 -0.03 -4.97 121.20 121.93 2aza s ILE 7 Ca -0.09 -0.83 0.03 0.00 -1.41 0.00 0.00 60.65 58.35 2aza s ILE 7 Cb -0.15 -1.30 -0.03 0.00 0.13 0.00 0.00 42.46 41.10 2aza s ILE 7 CO 0.05 0.44 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.80 2aza s GLU 8 N -0.37 2.51 -0.00 3.50 2.02 -1.26 -1.54 118.70 123.55 2aza s GLU 8 Ca 0.05 -0.71 0.08 0.00 0.02 0.00 0.00 54.97 54.42 2aza s GLU 8 Cb -0.08 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 2aza s GLU 8 CO -0.00 0.62 -0.25 -1.54 0.02 0.00 0.00 175.26 174.11 2aza s SER 9 N -1.01 2.95 0.00 -0.19 1.04 0.18 -1.49 113.70 115.17 2aza s SER 9 Ca 0.13 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2aza s SER 9 Cb -0.11 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2aza s SER 9 CO 0.03 0.29 0.00 -0.46 0.98 0.00 0.00 173.24 174.08 2aza n ASN 10 N 2.32 1.18 -0.07 7.02 0.23 -1.00 -0.14 115.26 124.80 2aza n ASN 10 Ca -0.16 -0.83 0.15 0.00 -0.53 0.00 0.00 54.58 53.21 2aza n ASN 10 Cb 0.52 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.02 2aza n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2aza n ASP 11 N -1.51 0.24 -1.07 0.53 8.00 -1.26 -3.20 116.55 118.29 2aza n ASP 11 Ca 0.00 -0.79 0.12 0.00 0.71 0.00 0.00 54.79 54.82 2aza n ASP 11 Cb 0.00 -0.07 0.23 0.00 -0.02 0.00 0.00 41.12 41.26 2aza n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aza n ALA 12 N -0.93 2.44 -3.02 2.24 0.00 -1.26 -4.95 120.51 115.02 2aza n ALA 12 Ca 0.20 -0.91 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 2aza n ALA 12 Cb 0.19 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.80 2aza n ALA 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2aza n MET 13 N 1.33 -4.57 -4.16 0.00 1.56 -1.19 -5.03 117.12 105.06 2aza n MET 13 Ca 0.19 0.54 -0.14 0.00 -0.27 0.00 0.00 57.70 58.02 2aza n MET 13 Cb 0.57 -4.68 -0.11 0.00 2.15 0.00 0.00 33.22 31.16 2aza n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2aza s GLN 14 N -5.20 0.80 0.21 2.12 -0.21 -1.26 -4.28 119.66 111.84 2aza s GLN 14 Ca 0.13 -1.11 0.07 0.00 0.02 0.00 0.00 55.36 54.47 2aza s GLN 14 Cb -0.06 -0.50 -0.04 0.00 1.00 0.00 0.00 33.01 33.41 2aza s GLN 14 CO 0.47 0.08 0.07 0.71 -2.12 0.00 0.00 175.29 174.50 2aza s TYR 15 N -2.32 2.94 -1.07 0.91 2.02 -1.26 -2.37 117.35 116.20 2aza s TYR 15 Ca 0.03 -0.12 0.23 0.00 -0.37 0.00 0.00 57.07 56.84 2aza s TYR 15 Cb -0.04 -1.37 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 2aza s TYR 15 CO -0.00 0.54 1.11 -0.40 -1.57 0.00 0.00 175.55 175.22 2aza n ASP 16 N -0.57 0.88 -4.33 2.29 3.85 -0.56 -4.91 116.55 113.21 2aza n ASP 16 Ca -0.08 -0.77 -0.32 0.00 -0.71 0.00 0.00 54.79 52.91 2aza n ASP 16 Cb 0.56 0.69 -0.15 0.00 -1.35 0.00 0.00 41.12 40.87 2aza n ASP 16 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2aza s LEU 17 N -2.96 2.33 -0.02 -2.12 1.43 -1.26 -5.00 118.68 111.08 2aza s LEU 17 Ca 0.10 -0.41 0.19 0.00 -1.03 0.00 0.00 54.13 52.98 2aza s LEU 17 Cb 0.17 -1.46 -0.26 0.00 0.03 0.00 0.00 46.19 44.67 2aza s LEU 17 CO 0.79 0.25 0.58 0.29 0.23 0.00 0.00 176.35 178.48 2aza n LYS 18 N 2.94 0.67 -3.81 1.70 4.01 -1.26 -4.80 118.16 117.61 2aza n LYS 18 Ca -0.18 -0.10 -0.12 0.00 -0.51 0.00 0.00 58.31 57.40 2aza n LYS 18 Cb 0.52 -1.43 -0.09 0.00 -0.51 0.00 0.00 35.03 33.52 2aza n LYS 18 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2aza s GLU 19 N -3.11 0.57 -0.02 1.97 -1.05 -1.26 -0.70 118.70 115.10 2aza s GLU 19 Ca -0.01 -0.25 0.05 0.00 -0.15 0.00 0.00 54.97 54.61 2aza s GLU 19 Cb 0.13 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 34.06 2aza s GLU 19 CO 0.79 -0.15 -0.17 -1.64 0.95 0.00 0.00 175.26 175.04 2aza s MET 20 N -1.28 1.47 -0.11 -4.83 -1.94 0.81 -4.95 119.30 108.48 2aza s MET 20 Ca -0.13 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2aza s MET 20 Cb -0.06 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.39 2aza s MET 20 CO 0.03 0.34 -0.19 0.08 -0.01 0.00 0.00 175.02 175.28 2aza s VAL 21 N -0.31 2.56 -0.26 -6.03 1.01 -1.26 -1.90 120.40 114.22 2aza s VAL 21 Ca 0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 2aza s VAL 21 Cb -0.08 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2aza s VAL 21 CO -0.00 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.12 2aza s VAL 22 N 0.29 5.28 0.41 2.92 1.01 0.75 -4.94 120.40 126.12 2aza s VAL 22 Ca -0.14 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2aza s VAL 22 Cb -0.17 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 2aza s VAL 22 CO 0.07 0.31 1.16 -0.62 0.00 0.00 0.00 175.10 176.02 2aza s ASP 23 N 1.36 6.45 0.46 3.32 -1.08 -1.26 -1.26 116.67 124.65 2aza s ASP 23 Ca 0.07 2.32 0.31 0.00 -0.52 0.00 0.00 52.55 54.73 2aza s ASP 23 Cb -0.15 -2.61 1.59 0.00 -1.46 0.00 0.00 42.92 40.29 2aza s ASP 23 CO 0.07 -0.72 1.95 0.11 0.52 0.00 0.00 175.17 177.10 2aza h LYS 24 N 2.48 0.00 -0.00 4.34 1.57 -1.92 -0.85 116.57 122.19 2aza h LYS 24 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2aza h LYS 24 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2aza h LYS 24 CO 0.62 0.00 -0.08 -1.13 -0.57 0.00 0.00 179.45 178.29 2aza n SER 25 N -2.64 0.11 -4.74 0.86 3.41 -1.26 -4.84 113.62 104.52 2aza n SER 25 Ca -0.01 0.18 -0.39 0.00 -0.26 0.00 0.00 58.87 58.38 2aza n SER 25 Cb 0.11 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2aza n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aza n LYS 27 N 3.09 0.66 -4.61 0.00 3.00 -1.26 -4.77 118.16 114.26 2aza n LYS 27 Ca -0.03 0.16 -0.24 0.00 -0.00 0.00 0.00 58.31 58.20 2aza n LYS 27 Cb 0.51 -1.67 -0.14 0.00 0.00 0.00 0.00 35.03 33.72 2aza n LYS 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2aza s GLN 28 N -2.55 1.30 -0.03 1.64 -1.52 -1.26 -1.90 119.66 115.34 2aza s GLN 28 Ca -0.07 -0.86 0.05 0.00 -1.95 0.00 0.00 55.36 52.53 2aza s GLN 28 Cb 0.07 -1.37 -0.01 0.00 -0.22 0.00 0.00 33.01 31.48 2aza s GLN 28 CO 0.83 0.35 -0.18 0.12 -0.25 0.00 0.00 175.29 176.16 2aza s PHE 29 N -0.76 1.70 -0.14 0.91 2.19 0.15 -4.82 117.98 117.22 2aza s PHE 29 Ca 0.06 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.94 2aza s PHE 29 Cb -0.08 -1.12 0.01 0.00 -1.31 0.00 0.00 43.02 40.51 2aza s PHE 29 CO 0.01 -0.09 -0.21 0.99 1.83 0.00 0.00 175.22 177.74 2aza s THR 30 N -0.22 2.14 -0.15 0.12 2.01 -0.53 0.99 115.64 120.00 2aza s THR 30 Ca 0.02 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2aza s THR 30 Cb -0.09 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2aza s THR 30 CO 0.01 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.74 2aza s VAL 31 N 0.76 3.77 -0.33 3.82 1.01 0.12 -1.87 120.40 127.67 2aza s VAL 31 Ca -0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2aza s VAL 31 Cb -0.16 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2aza s VAL 31 CO -0.00 0.50 0.12 -1.00 0.00 0.00 0.00 175.10 174.71 2aza s HIS 32 N 0.37 3.22 -0.11 5.22 3.76 0.17 -0.84 115.29 127.07 2aza s HIS 32 Ca -0.05 -1.19 -0.12 0.00 -0.15 0.00 0.00 55.06 53.54 2aza s HIS 32 Cb -0.14 -2.30 -0.05 0.00 1.11 0.00 0.00 32.58 31.20 2aza s HIS 32 CO 0.03 -0.67 0.28 -1.17 -0.85 0.00 0.00 174.74 172.37 2aza s LEU 33 N 1.46 4.33 -0.03 0.89 2.96 0.17 -0.85 118.68 127.61 2aza s LEU 33 Ca 0.00 0.60 0.06 0.00 -0.22 0.00 0.00 54.13 54.57 2aza s LEU 33 Cb -0.19 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 2aza s LEU 33 CO 0.04 0.22 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.53 2aza s LYS 34 N -0.23 1.89 -0.42 1.98 1.02 -0.59 -0.85 119.74 122.54 2aza s LYS 34 Ca 0.18 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 2aza s LYS 34 Cb -0.14 -1.75 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 2aza s LYS 34 CO 0.06 0.41 0.23 -1.58 -0.92 0.00 0.00 175.35 173.56 2aza s HIS 35 N -0.36 3.49 -2.15 3.18 2.46 0.34 -0.65 115.29 121.60 2aza s HIS 35 Ca 0.04 -2.11 0.17 0.00 0.47 0.00 0.00 55.06 53.63 2aza s HIS 35 Cb -0.10 -3.17 0.65 0.00 -0.13 0.00 0.00 32.58 29.84 2aza s HIS 35 CO 0.00 -0.95 1.47 1.33 -2.47 0.00 0.00 174.74 174.13 2aza n VAL 36 N 4.72 0.23 -1.87 0.89 0.24 0.80 -1.40 118.33 121.94 2aza n VAL 36 Ca -0.06 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2aza n VAL 36 Cb 0.42 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 2aza n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aza n GLY 37 N 1.02 0.21 0.00 7.63 0.00 -1.25 -4.80 105.19 108.01 2aza n GLY 37 Ca 0.14 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2aza n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aza n LYS 38 N -0.99 0.46 -2.77 1.61 2.85 -1.26 -2.20 118.16 115.86 2aza n LYS 38 Ca 0.00 -0.68 -0.33 0.00 -1.05 0.00 0.00 58.31 56.24 2aza n LYS 38 Cb 0.00 -0.83 -0.06 0.00 -0.65 0.00 0.00 35.03 33.49 2aza n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2aza s MET 39 N -0.28 4.16 0.57 -1.58 -1.94 -1.26 -4.73 119.30 114.25 2aza s MET 39 Ca 0.00 1.17 -0.17 0.00 -1.71 0.00 0.00 55.69 54.98 2aza s MET 39 Cb 0.00 -2.18 -0.04 0.00 2.01 0.00 0.00 34.83 34.61 2aza s MET 39 CO 0.00 -0.09 1.08 0.00 -0.01 0.00 0.00 175.02 176.00 2aza s ALA 40 N -2.12 2.71 0.47 3.03 0.00 -1.26 -0.77 121.76 123.81 2aza s ALA 40 Ca 0.63 0.57 0.24 0.00 0.00 0.00 0.00 51.96 53.39 2aza s ALA 40 Cb -0.11 -3.28 1.42 0.00 0.00 0.00 0.00 23.12 21.15 2aza s ALA 40 CO 0.15 -0.78 2.10 1.57 0.00 0.00 0.00 175.76 178.80 2aza h LYS 41 N 0.78 0.00 -0.03 0.00 2.10 -1.86 0.56 116.57 118.11 2aza h LYS 41 Ca -0.48 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.05 2aza h LYS 41 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2aza h LYS 41 CO 0.57 0.10 -0.55 0.77 -2.00 0.00 0.00 179.45 178.34 2aza h SER 42 N 0.00 0.10 0.13 7.07 0.02 -1.95 -2.05 113.55 116.86 2aza h SER 42 Ca -0.00 -0.05 -0.37 0.00 -0.84 0.00 0.00 61.79 60.53 2aza h SER 42 Cb 0.23 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2aza h SER 42 CO 0.01 0.63 -2.06 0.00 -1.14 0.00 0.00 176.83 174.27 2aza n ALA 43 N -2.45 1.00 -2.72 3.77 0.00 -0.67 -4.76 120.51 114.68 2aza n ALA 43 Ca -0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 2aza n ALA 43 Cb 0.56 -0.60 0.08 0.00 0.00 0.00 0.00 19.45 19.50 2aza n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2aza n MET 44 N -3.42 1.15 -2.45 0.00 0.00 0.10 -5.00 117.12 107.51 2aza n MET 44 Ca -0.33 -2.30 -0.38 0.00 -0.00 0.00 0.00 57.70 54.69 2aza n MET 44 Cb 1.04 -0.58 -0.03 0.00 0.00 0.00 0.00 33.22 33.64 2aza n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2aza s GLY 45 N -1.78 2.84 0.03 -5.12 0.00 -0.77 -4.79 107.32 97.73 2aza s GLY 45 Ca 0.24 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.82 2aza s GLY 45 CO -0.05 1.31 -0.09 0.30 0.00 0.00 0.00 173.10 174.57 2aza s HIS 46 N -1.49 0.82 0.35 1.90 3.76 -0.68 -4.72 115.29 115.23 2aza s HIS 46 Ca 0.55 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.16 2aza s HIS 46 Cb -0.27 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 2aza s HIS 46 CO 0.34 -0.02 0.21 0.54 -0.85 0.00 0.00 174.74 174.95 2aza s ASN 47 N -1.11 1.99 -0.05 1.40 2.20 -1.26 -0.19 114.94 117.91 2aza s ASN 47 Ca -0.03 -1.70 -0.02 0.00 -0.94 0.00 0.00 52.86 50.17 2aza s ASN 47 Cb -0.07 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.73 2aza s ASN 47 CO 0.01 -0.99 0.05 0.86 -2.94 0.00 0.00 177.10 174.08 2aza s TRP 48 N -3.41 0.18 -0.05 1.54 -0.00 -1.26 -4.26 118.94 111.68 2aza s TRP 48 Ca 0.34 0.15 0.03 0.00 -0.00 0.00 0.00 56.10 56.62 2aza s TRP 48 Cb 0.03 -0.55 0.00 0.00 -0.00 0.00 0.00 33.47 32.95 2aza s TRP 48 CO 0.21 -0.23 -0.15 0.08 -0.00 0.00 0.00 176.95 176.86 2aza s VAL 49 N 2.13 1.32 -0.27 5.86 1.01 -0.40 -1.74 120.40 128.32 2aza s VAL 49 Ca 0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2aza s VAL 49 Cb -0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2aza s VAL 49 CO -0.04 0.39 0.05 -0.22 0.00 0.00 0.00 175.10 175.28 2aza s LEU 50 N 0.31 3.53 0.21 3.92 2.96 -0.51 -0.77 118.68 128.33 2aza s LEU 50 Ca -0.09 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2aza s LEU 50 Cb -0.13 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2aza s LEU 50 CO 0.03 -0.11 0.18 0.42 -1.32 0.00 0.00 176.35 175.55 2aza s THR 51 N 1.52 0.00 0.37 3.68 -4.23 -0.36 -0.39 115.64 116.23 2aza s THR 51 Ca 0.04 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 2aza s THR 51 Cb -0.16 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 2aza s THR 51 CO 0.01 0.00 1.15 -0.54 -0.54 0.00 0.00 174.62 174.71 2aza s LYS 52 N -4.12 4.23 0.56 3.99 1.02 -1.26 -0.65 119.74 123.50 2aza s LYS 52 Ca 0.37 1.82 0.31 0.00 0.02 0.00 0.00 55.97 58.49 2aza s LYS 52 Cb 0.06 -2.81 1.47 0.00 -0.52 0.00 0.00 37.83 36.03 2aza s LYS 52 CO 0.12 -0.17 1.87 1.49 -0.92 0.00 0.00 175.35 177.74 2aza h GLU 53 N 2.95 0.00 -0.11 1.68 4.81 -1.88 0.56 114.58 122.58 2aza h GLU 53 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2aza h GLU 53 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2aza h GLU 53 CO 0.64 0.00 0.05 0.00 -0.73 0.00 0.00 179.01 178.97 2aza h ALA 54 N 1.48 0.15 -0.00 2.92 0.00 -1.92 -3.18 119.26 118.70 2aza h ALA 54 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2aza h ALA 54 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2aza h ALA 54 CO -0.00 -0.28 -0.01 -0.25 0.00 0.00 0.00 179.25 178.71 2aza n ASP 55 N -4.92 0.18 -0.03 0.00 8.00 0.20 -4.55 116.55 115.42 2aza n ASP 55 Ca -0.05 -0.90 -0.02 0.00 0.71 0.00 0.00 54.79 54.52 2aza n ASP 55 Cb 0.10 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 2aza n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2aza h LYS 56 N 0.27 -0.05 -0.72 -1.24 3.64 -1.52 -1.11 116.57 115.84 2aza h LYS 56 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2aza h LYS 56 Cb 0.11 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2aza h LYS 56 CO 0.00 -0.04 0.31 1.49 -2.27 0.00 0.00 179.45 178.94 2aza h GLU 57 N -0.05 1.06 -0.44 1.90 4.81 -1.84 -1.45 114.58 118.55 2aza h GLU 57 Ca 0.02 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2aza h GLU 57 Cb 0.10 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2aza h GLU 57 CO -0.12 0.86 0.14 0.78 -0.73 0.00 0.00 179.01 179.95 2aza h GLY 58 N 1.02 0.73 1.60 1.92 0.00 -1.85 0.06 103.07 106.54 2aza h GLY 58 Ca 0.24 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 2aza h GLY 58 CO -0.02 0.40 -0.41 -2.08 0.00 0.00 0.00 176.54 174.43 2aza h VAL 59 N 0.57 1.31 -0.36 4.60 2.07 -1.08 -1.51 116.25 121.84 2aza h VAL 59 Ca 0.14 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 2aza h VAL 59 Cb 0.25 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2aza h VAL 59 CO -0.01 0.48 0.02 0.00 0.02 0.00 0.00 177.57 178.09 2aza h ALA 60 N 1.19 0.48 -0.09 1.67 0.00 -1.11 0.44 119.26 121.84 2aza h ALA 60 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2aza h ALA 60 Cb 0.88 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2aza h ALA 60 CO 0.07 0.22 -0.04 1.15 0.00 0.00 0.00 179.25 180.66 2aza h THR 61 N 0.44 1.31 -0.72 0.00 2.02 -0.90 -1.82 112.91 113.23 2aza h THR 61 Ca 0.10 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 2aza h THR 61 Cb 0.42 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 2aza h THR 61 CO 0.01 0.29 0.36 0.44 0.37 0.00 0.00 175.52 176.99 2aza h ASP 62 N -0.18 0.92 -0.04 4.18 3.45 -1.25 -2.96 116.42 120.54 2aza h ASP 62 Ca 0.02 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 2aza h ASP 62 Cb 0.47 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 2aza h ASP 62 CO 0.01 0.76 0.02 1.23 -1.57 0.00 0.00 179.24 179.70 2aza h GLY 63 N 1.07 0.06 -0.04 2.75 0.00 -0.73 -2.42 103.07 103.77 2aza h GLY 63 Ca 0.25 -0.03 0.19 0.00 0.00 0.00 0.00 47.33 47.75 2aza h GLY 63 CO -0.04 0.03 0.42 1.98 0.00 0.00 0.00 176.54 178.93 2aza h MET 64 N -0.00 0.48 0.00 4.80 1.85 -1.21 0.18 114.93 121.03 2aza h MET 64 Ca 0.02 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2aza h MET 64 Cb 0.06 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2aza h MET 64 CO -0.00 0.32 0.00 0.09 -0.40 0.00 0.00 176.91 176.91 2aza n ASN 65 N -4.97 0.51 0.16 1.39 3.02 -0.95 -2.83 115.26 111.60 2aza n ASN 65 Ca 0.21 0.58 0.06 0.00 -0.03 0.00 0.00 54.58 55.40 2aza n ASN 65 Cb 0.58 -0.71 0.07 0.00 -0.61 0.00 0.00 39.78 39.11 2aza n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aza h ALA 66 N 2.53 0.78 0.00 5.41 0.00 -0.25 -3.50 119.26 124.22 2aza h ALA 66 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2aza h ALA 66 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2aza h ALA 66 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2aza n GLY 67 N 1.19 -0.11 0.26 0.00 0.00 -1.13 -4.38 105.19 101.02 2aza n GLY 67 Ca 0.02 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 2aza n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aza h LEU 68 N 0.00 0.45 -1.86 0.99 5.85 -1.92 -1.63 115.31 117.20 2aza h LEU 68 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2aza h LEU 68 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2aza h LEU 68 CO 0.00 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 2aza h ALA 69 N 1.48 1.00 -0.60 1.25 0.00 -2.02 -1.09 119.26 119.29 2aza h ALA 69 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2aza h ALA 69 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2aza h ALA 69 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 2aza n GLN 70 N -2.86 2.81 -2.79 0.00 1.13 -1.06 -4.94 117.38 109.66 2aza n GLN 70 Ca -0.01 -2.48 -0.22 0.00 -1.94 0.00 0.00 57.00 52.36 2aza n GLN 70 Cb 0.18 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.07 2aza n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2aza n ASP 71 N 1.25 -6.06 -3.85 1.08 8.00 -0.41 -2.81 116.55 113.75 2aza n ASP 71 Ca 0.20 -0.19 -0.30 0.00 0.71 0.00 0.00 54.79 55.22 2aza n ASP 71 Cb 0.57 -4.95 0.02 0.00 -0.02 0.00 0.00 41.12 36.74 2aza n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2aza n TYR 72 N -4.33 -2.26 -3.71 1.24 4.01 -0.64 -4.62 117.16 106.85 2aza n TYR 72 Ca -0.16 0.86 -0.21 0.00 -0.16 0.00 0.00 57.90 58.23 2aza n TYR 72 Cb 0.65 -3.92 -0.18 0.00 -0.31 0.00 0.00 39.34 35.58 2aza n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2aza s VAL 73 N -3.27 0.07 0.11 -0.72 1.01 -1.12 -4.05 120.40 112.44 2aza s VAL 73 Ca 0.64 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 2aza s VAL 73 Cb -0.32 -0.29 -0.11 0.00 0.00 0.00 0.00 36.38 35.66 2aza s VAL 73 CO 0.79 0.21 1.85 1.17 0.00 0.00 0.00 175.10 179.12 2aza n LYS 74 N 5.23 2.79 -1.68 2.72 4.81 -1.26 -4.83 118.16 125.93 2aza n LYS 74 Ca -0.05 1.02 -0.44 0.00 -0.87 0.00 0.00 58.31 57.96 2aza n LYS 74 Cb 0.50 -2.92 -0.04 0.00 0.02 0.00 0.00 35.03 32.60 2aza n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2aza n ALA 75 N 5.80 1.75 -2.94 3.14 0.00 -1.26 -1.04 120.51 125.96 2aza n ALA 75 Ca 0.18 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.78 2aza n ALA 75 Cb 0.37 -2.51 0.03 0.00 0.00 0.00 0.00 19.45 17.35 2aza n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aza n GLY 76 N 4.04 -0.34 3.70 0.00 0.00 -1.26 -4.94 105.19 106.39 2aza n GLY 76 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2aza n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aza s ASP 77 N -2.79 6.93 0.11 1.61 -1.08 -0.21 -4.87 116.67 116.37 2aza s ASP 77 Ca 0.27 2.11 0.26 0.00 -0.52 0.00 0.00 52.55 54.67 2aza s ASP 77 Cb -0.12 -2.57 0.68 0.00 -1.46 0.00 0.00 42.92 39.45 2aza s ASP 77 CO 0.34 -0.62 1.59 0.35 0.52 0.00 0.00 175.17 177.35 2aza n THR 78 N 4.27 0.31 0.74 1.71 -2.24 -1.26 -3.45 114.28 114.36 2aza n THR 78 Ca 0.11 -0.19 0.10 0.00 -2.27 0.00 0.00 64.05 61.81 2aza n THR 78 Cb 0.44 -0.28 0.46 0.00 -2.10 0.00 0.00 70.33 68.85 2aza n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aza n ARG 79 N -1.96 0.01 -3.19 -0.78 1.74 -1.26 -4.70 116.66 106.52 2aza n ARG 79 Ca 0.05 0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.84 2aza n ARG 79 Cb 0.40 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 2aza n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2aza s VAL 80 N -3.01 4.93 0.05 1.55 1.01 -1.22 -4.34 120.40 119.38 2aza s VAL 80 Ca 0.10 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2aza s VAL 80 Cb 0.14 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 2aza s VAL 80 CO 0.40 -0.51 1.31 0.40 0.00 0.00 0.00 175.10 176.70 2aza h ILE 81 N 5.81 1.35 -2.50 2.22 2.04 -1.00 -3.48 117.51 121.95 2aza h ILE 81 Ca -0.26 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.07 2aza h ILE 81 Cb 1.10 1.95 -0.15 0.00 -0.74 0.00 0.00 36.82 38.98 2aza h ILE 81 CO 0.85 0.47 0.31 0.00 0.00 0.00 0.00 178.15 179.78 2aza s ALA 82 N -4.05 -1.72 0.08 1.87 0.00 -1.24 -4.97 121.76 111.73 2aza s ALA 82 Ca -0.13 0.88 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 2aza s ALA 82 Cb 0.06 0.47 0.07 0.00 0.00 0.00 0.00 23.12 23.72 2aza s ALA 82 CO 0.80 -0.64 0.63 -3.38 0.00 0.00 0.00 175.76 173.17 2aza s HIS 83 N -2.90 -0.59 0.57 0.00 -3.43 -1.26 -1.42 115.29 106.26 2aza s HIS 83 Ca -0.00 0.65 0.07 0.00 -0.80 0.00 0.00 55.06 54.98 2aza s HIS 83 Cb -0.01 0.50 0.10 0.00 -1.43 0.00 0.00 32.58 31.74 2aza s HIS 83 CO -0.07 -0.76 0.78 0.25 -2.00 0.00 0.00 174.74 172.95 2aza n THR 84 N 0.13 0.00 -1.96 -5.38 -2.24 -0.71 -4.86 114.28 99.25 2aza n THR 84 Ca -0.18 -1.75 -0.29 0.00 -2.27 0.00 0.00 64.05 59.57 2aza n THR 84 Cb 0.62 -0.62 0.07 0.00 -2.10 0.00 0.00 70.33 68.31 2aza n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2aza s LYS 85 N -4.54 2.23 -0.18 -0.78 1.02 -1.26 -4.65 119.74 111.57 2aza s LYS 85 Ca 0.58 0.13 -0.23 0.00 0.02 0.00 0.00 55.97 56.47 2aza s LYS 85 Cb -0.04 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2aza s LYS 85 CO 0.37 -1.39 0.73 0.08 -0.92 0.00 0.00 175.35 174.22 2aza s VAL 86 N -3.46 4.96 0.24 3.17 1.01 -1.26 -4.38 120.40 120.68 2aza s VAL 86 Ca 0.61 1.40 0.10 0.00 0.00 0.00 0.00 61.98 64.09 2aza s VAL 86 Cb -0.11 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2aza s VAL 86 CO 0.49 0.08 -0.08 0.27 0.00 0.00 0.00 175.10 175.85 2aza s ILE 87 N 1.97 3.13 0.52 2.22 -4.36 0.73 -4.88 121.20 120.53 2aza s ILE 87 Ca 0.33 -1.93 0.08 0.00 -0.26 0.00 0.00 60.65 58.87 2aza s ILE 87 Cb -0.16 -2.62 0.04 0.00 1.25 0.00 0.00 42.46 40.97 2aza s ILE 87 CO 0.12 -0.28 0.55 -0.83 0.24 0.00 0.00 174.94 174.73 2aza s GLY 88 N -3.32 2.08 0.31 6.27 0.00 -1.26 -1.69 107.32 109.71 2aza s GLY 88 Ca 0.28 -1.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 2aza s GLY 88 CO 0.17 -1.78 1.31 0.61 0.00 0.00 0.00 173.10 173.41 2aza n GLY 89 N -1.90 0.61 2.72 0.20 0.00 0.05 -2.32 105.19 104.56 2aza n GLY 89 Ca 0.06 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2aza n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aza n GLY 90 N 1.14 1.31 3.91 -0.02 0.00 -0.50 -4.87 105.19 106.16 2aza n GLY 90 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2aza n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aza s GLU 91 N -0.09 2.45 0.17 1.61 2.02 -0.98 -4.94 118.70 118.93 2aza s GLU 91 Ca 0.00 -1.66 -0.09 0.00 0.02 0.00 0.00 54.97 53.24 2aza s GLU 91 Cb 0.00 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 2aza s GLU 91 CO 0.00 -0.41 0.29 -1.54 0.02 0.00 0.00 175.26 173.63 2aza s SER 92 N -4.26 0.03 0.03 -0.19 1.04 -1.26 -0.51 113.70 108.58 2aza s SER 92 Ca 0.47 -0.86 -0.22 0.00 0.48 0.00 0.00 55.95 55.81 2aza s SER 92 Cb -0.04 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2aza s SER 92 CO 0.28 -0.90 0.51 -0.62 0.98 0.00 0.00 173.24 173.49 2aza s ASP 93 N -2.97 -0.42 0.02 7.02 2.15 -0.03 -5.01 116.67 117.44 2aza s ASP 93 Ca 0.17 0.22 0.03 0.00 0.43 0.00 0.00 52.55 53.40 2aza s ASP 93 Cb 0.03 0.47 -0.02 0.00 -0.30 0.00 0.00 42.92 43.11 2aza s ASP 93 CO 0.00 -0.67 -0.09 -0.44 -0.17 0.00 0.00 175.17 173.81 2aza s SER 94 N -1.79 1.02 0.01 -0.34 0.01 -1.26 0.41 113.70 111.76 2aza s SER 94 Ca -0.07 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.86 2aza s SER 94 Cb -0.01 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 2aza s SER 94 CO 0.01 -0.03 -0.07 0.54 0.41 0.00 0.00 173.24 174.09 2aza s VAL 95 N -0.75 0.57 -0.11 3.43 0.11 -0.02 -4.96 120.40 118.68 2aza s VAL 95 Ca -0.02 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 2aza s VAL 95 Cb -0.06 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2aza s VAL 95 CO 0.00 0.04 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.74 2aza s THR 96 N -0.42 2.56 0.09 5.04 2.01 -1.26 0.12 115.64 123.78 2aza s THR 96 Ca 0.00 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.19 2aza s THR 96 Cb -0.04 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2aza s THR 96 CO -0.00 0.55 -0.09 0.72 -0.69 0.00 0.00 174.62 175.11 2aza s PHE 97 N 0.24 0.98 -0.25 4.92 -0.71 0.28 -4.92 117.98 118.52 2aza s PHE 97 Ca -0.12 -0.70 -0.29 0.00 -1.04 0.00 0.00 56.93 54.77 2aza s PHE 97 Cb -0.16 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.11 2aza s PHE 97 CO 0.07 -0.04 1.14 0.34 -1.34 0.00 0.00 175.22 175.39 2aza s ASP 98 N -2.52 6.96 0.48 1.98 3.68 -1.26 0.34 116.67 126.33 2aza s ASP 98 Ca 0.06 1.35 0.25 0.00 2.13 0.00 0.00 52.55 56.33 2aza s ASP 98 Cb -0.02 -2.54 1.24 0.00 -1.45 0.00 0.00 42.92 40.15 2aza s ASP 98 CO -0.01 -0.81 1.99 0.58 0.13 0.00 0.00 175.17 177.05 2aza h VAL 99 N 5.61 0.66 0.00 1.11 2.07 -1.68 -2.59 116.25 121.42 2aza h VAL 99 Ca -0.22 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2aza h VAL 99 Cb 1.08 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2aza h VAL 99 CO 1.00 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.22 2aza n SER 100 N -3.65 0.00 0.06 0.57 3.41 -1.26 -1.39 113.62 111.35 2aza n SER 100 Ca -0.01 -0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 57.99 2aza n SER 100 Cb 0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 2aza n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2aza h LYS 101 N 0.00 0.04 -6.56 4.33 1.57 -1.86 -3.44 116.57 110.64 2aza h LYS 101 Ca 0.00 -0.07 -0.52 0.00 -1.87 0.00 0.00 60.65 58.19 2aza h LYS 101 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2aza h LYS 101 CO 0.00 0.97 0.06 -0.51 -0.57 0.00 0.00 179.45 179.40 2aza s LEU 102 N -6.70 4.25 -0.26 2.94 1.43 -0.49 -5.07 118.68 114.78 2aza s LEU 102 Ca -0.01 1.28 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 2aza s LEU 102 Cb 0.09 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2aza s LEU 102 CO 0.83 -0.03 0.06 -0.89 0.23 0.00 0.00 176.35 176.54 2aza s THR 103 N -1.67 4.10 0.35 5.49 2.01 -1.26 -5.02 115.64 119.64 2aza s THR 103 Ca 0.46 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 2aza s THR 103 Cb -0.14 -2.97 -0.13 0.00 0.01 0.00 0.00 72.50 69.28 2aza s THR 103 CO 0.20 0.28 0.98 -2.65 -0.69 0.00 0.00 174.62 172.74 2aza n PRO 104 N 4.90 1.32 -0.92 4.92 -0.02 -1.26 -2.30 135.00 141.64 2aza n PRO 104 Ca -0.16 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2aza n PRO 104 Cb 0.50 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2aza n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aza n GLY 105 N 1.23 0.40 3.79 -1.23 0.00 -1.26 -5.01 105.19 103.12 2aza n GLY 105 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2aza n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aza s GLU 106 N -0.69 3.57 0.06 1.61 2.12 -0.97 -5.04 118.70 119.35 2aza s GLU 106 Ca 0.00 -0.22 -0.17 0.00 0.36 0.00 0.00 54.97 54.94 2aza s GLU 106 Cb 0.00 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 2aza s GLU 106 CO 0.00 0.62 0.52 0.00 -0.54 0.00 0.00 175.26 175.86 2aza s ALA 107 N -0.59 3.62 0.15 6.30 0.00 -1.26 -4.43 121.76 125.56 2aza s ALA 107 Ca 0.12 -0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.12 2aza s ALA 107 Cb -0.12 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2aza s ALA 107 CO 0.02 0.43 -0.22 0.71 0.00 0.00 0.00 175.76 176.70 2aza s TYR 108 N -1.14 2.05 -0.12 0.00 2.02 0.22 -4.03 117.35 116.35 2aza s TYR 108 Ca 0.28 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 2aza s TYR 108 Cb -0.18 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 2aza s TYR 108 CO 0.17 0.36 0.07 0.00 -1.57 0.00 0.00 175.55 174.58 2aza s ALA 109 N -1.54 3.55 -0.02 3.71 0.00 0.18 0.01 121.76 127.64 2aza s ALA 109 Ca 0.15 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2aza s ALA 109 Cb -0.08 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 2aza s ALA 109 CO 0.07 0.52 -0.23 1.52 0.00 0.00 0.00 175.76 177.64 2aza s TYR 110 N -0.68 2.06 0.26 0.00 1.13 -0.50 -1.22 117.35 118.40 2aza s TYR 110 Ca 0.12 -0.43 -0.16 0.00 -1.41 0.00 0.00 57.07 55.19 2aza s TYR 110 Cb -0.12 -1.33 0.01 0.00 -1.10 0.00 0.00 41.96 39.42 2aza s TYR 110 CO 0.02 -0.06 0.57 -0.59 -2.51 0.00 0.00 175.55 172.98 2aza s PHE 111 N -0.45 0.16 -0.19 -3.49 -0.71 0.05 -0.12 117.98 113.22 2aza s PHE 111 Ca 0.07 -0.56 -0.08 0.00 -1.04 0.00 0.00 56.93 55.32 2aza s PHE 111 Cb -0.09 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 2aza s PHE 111 CO -0.00 -1.09 0.07 0.00 -1.34 0.00 0.00 175.22 172.86 2aza n SER 113 N 3.75 2.43 -4.75 0.00 3.41 -1.26 -2.03 113.62 115.16 2aza n SER 113 Ca -0.16 -1.82 -0.40 0.00 -0.26 0.00 0.00 58.87 56.23 2aza n SER 113 Cb 0.52 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 2aza n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2aza n PHE 114 N 0.84 2.63 -1.63 7.33 -0.00 -1.26 -4.33 117.46 121.04 2aza n PHE 114 Ca 0.17 0.44 -0.59 0.00 -0.00 0.00 0.00 57.45 57.48 2aza n PHE 114 Cb 0.46 -2.45 -0.08 0.00 -0.00 0.00 0.00 39.48 37.42 2aza n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2aza n PRO 115 N -0.19 0.55 0.00 -7.13 -0.02 -1.26 -1.84 135.00 125.11 2aza n PRO 115 Ca 0.05 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2aza n PRO 115 Cb 0.41 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2aza n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aza n GLY 116 N 2.97 2.88 0.15 -1.23 0.00 -1.26 -4.92 105.19 103.79 2aza n GLY 116 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2aza n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2aza h HIS 117 N 0.00 0.00 -0.08 1.61 3.86 -1.59 -3.38 115.15 115.57 2aza h HIS 117 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2aza h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2aza h HIS 117 CO 0.00 0.20 0.11 0.11 0.86 0.00 0.00 177.93 179.21 2aza h TRP 118 N 0.00 0.00 0.00 2.45 5.08 -1.60 -1.11 115.95 120.77 2aza h TRP 118 Ca -0.03 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.85 2aza h TRP 118 Cb 1.18 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 2aza h TRP 118 CO 0.00 0.00 -0.44 0.00 -1.28 0.00 0.00 178.44 176.72 2aza h ALA 119 N 1.86 0.85 0.00 0.11 0.00 -1.88 -3.33 119.26 116.86 2aza h ALA 119 Ca 0.04 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2aza h ALA 119 Cb 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2aza h ALA 119 CO -0.00 0.55 -1.71 -1.33 0.00 0.00 0.00 179.25 176.77 2aza n MET 120 N -3.40 1.98 -3.73 0.00 2.81 -1.01 -4.93 117.12 108.85 2aza n MET 120 Ca 0.01 -0.02 -0.36 0.00 -1.81 0.00 0.00 57.70 55.52 2aza n MET 120 Cb 0.61 -1.28 -0.09 0.00 -0.71 0.00 0.00 33.22 31.75 2aza n MET 120 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 2aza s MET 121 N -2.34 2.66 0.09 0.03 -1.94 -0.45 -4.78 119.30 112.57 2aza s MET 121 Ca -0.05 -2.73 -0.21 0.00 -1.71 0.00 0.00 55.69 50.99 2aza s MET 121 Cb 0.04 -3.73 0.05 0.00 2.01 0.00 0.00 34.83 33.20 2aza s MET 121 CO 0.44 -1.19 0.50 -1.59 -0.01 0.00 0.00 175.02 173.17 2aza s LYS 122 N -0.41 1.09 0.37 2.03 0.00 -1.26 -1.29 119.74 120.27 2aza s LYS 122 Ca 0.19 -0.41 -0.15 0.00 0.00 0.00 0.00 55.97 55.61 2aza s LYS 122 Cb -0.17 0.49 0.06 0.00 0.00 0.00 0.00 37.83 38.21 2aza s LYS 122 CO -0.05 -0.42 0.78 0.41 0.00 0.00 0.00 175.35 176.07 2aza n GLY 123 N 0.10 0.99 3.50 0.59 0.00 0.83 -4.82 105.19 106.37 2aza n GLY 123 Ca -0.17 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 2aza n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aza s THR 124 N -2.13 2.96 -0.02 2.61 2.01 0.12 -1.41 115.64 119.78 2aza s THR 124 Ca 0.16 -1.30 0.05 0.00 0.31 0.00 0.00 61.69 60.91 2aza s THR 124 Cb -0.05 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2aza s THR 124 CO 0.11 0.21 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.85 2aza s LEU 125 N -1.85 2.00 0.05 4.42 0.20 0.10 -0.13 118.68 123.47 2aza s LEU 125 Ca 0.17 -0.34 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 2aza s LEU 125 Cb -0.11 -0.96 0.00 0.00 -0.43 0.00 0.00 46.19 44.70 2aza s LEU 125 CO 0.09 0.21 0.21 -1.59 -0.29 0.00 0.00 176.35 174.97 2aza s LYS 126 N -0.30 0.75 -0.08 1.98 -2.85 -0.80 -0.61 119.74 117.83 2aza s LYS 126 Ca 0.04 -0.69 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 2aza s LYS 126 Cb -0.08 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 2aza s LYS 126 CO 0.00 -0.23 0.71 -1.17 0.10 0.00 0.00 175.35 174.76 2aza s LEU 127 N -2.27 4.29 0.01 2.77 2.96 -1.26 -0.18 118.68 124.99 2aza s LEU 127 Ca -0.03 1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 2aza s LEU 127 Cb 0.00 -3.08 0.03 0.00 0.50 0.00 0.00 46.19 43.64 2aza s LEU 127 CO -0.06 -0.15 0.37 -0.55 -1.32 0.00 0.00 176.35 174.64 2aza s SER 128 N 0.86 -0.24 0.00 3.68 0.15 -0.39 -4.16 113.70 113.59 2aza s SER 128 Ca 0.37 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2aza s SER 128 Cb -0.17 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2aza s SER 128 CO 0.17 -0.54 0.25 -0.46 1.20 0.00 0.00 173.24 173.86