#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buk n MET 13 N 0.00 0.05 -0.00 1.09 0.00 -1.26 -3.18 117.12 113.82 2buk n MET 13 Ca 0.00 0.26 -0.19 0.00 0.00 0.00 0.00 57.70 57.77 2buk n MET 13 Cb 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 31.58 2buk n MET 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2buk h ARG 14 N 0.00 0.19 0.98 2.12 2.43 -2.07 -3.29 114.38 114.74 2buk h ARG 14 Ca 0.00 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.81 2buk h ARG 14 Cb 0.19 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2buk h ARG 14 CO 0.00 1.15 -0.47 0.00 -1.51 0.00 0.00 179.97 179.14 2buk h ALA 15 N 0.01 -1.32 -1.14 2.80 0.00 -2.01 -3.04 119.26 114.56 2buk h ALA 15 Ca -0.13 -0.29 0.34 0.00 0.00 0.00 0.00 54.91 54.83 2buk h ALA 15 Cb 1.45 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 19.63 2buk h ALA 15 CO 0.07 -1.23 0.72 -0.24 0.00 0.00 0.00 179.25 178.58 2buk h VAL 16 N -1.35 0.32 0.00 0.00 3.04 -1.73 0.69 116.25 117.23 2buk h VAL 16 Ca -0.13 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2buk h VAL 16 Cb 1.01 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2buk h VAL 16 CO 0.22 0.05 0.00 0.50 -1.01 0.00 0.00 177.57 177.33 2buk h LYS 17 N 0.26 0.00 0.00 4.17 3.64 -1.60 -2.40 116.57 120.64 2buk h LYS 17 Ca 0.71 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.73 2buk h LYS 17 Cb 1.96 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.72 2buk h LYS 17 CO -0.41 0.00 -2.34 -2.13 -2.27 0.00 0.00 179.45 172.30 2buk n ARG 18 N -2.43 0.69 0.19 1.90 0.63 0.24 -3.12 116.66 114.76 2buk n ARG 18 Ca 0.01 0.01 0.04 0.00 -0.92 0.00 0.00 57.85 56.99 2buk n ARG 18 Cb 0.21 -1.54 0.39 0.00 0.45 0.00 0.00 32.46 31.98 2buk n ARG 18 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 2buk h MET 19 N 0.00 0.00 -0.10 -0.14 4.05 -1.20 -1.52 114.93 116.02 2buk h MET 19 Ca -0.53 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 58.80 2buk h MET 19 Cb 2.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.03 2buk h MET 19 CO 0.03 0.34 -0.30 0.82 0.23 0.00 0.00 176.91 178.04 2buk h ILE 20 N 0.00 1.40 0.00 1.77 2.04 -1.58 -3.29 117.51 117.85 2buk h ILE 20 Ca -0.00 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.22 2buk h ILE 20 Cb 0.64 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2buk h ILE 20 CO 0.04 0.48 0.00 0.59 0.00 0.00 0.00 178.15 179.26 2buk n ASN 21 N -4.43 0.73 -0.46 1.72 3.02 -1.06 -2.57 115.26 112.21 2buk n ASN 21 Ca -0.08 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.18 2buk n ASN 21 Cb 0.48 -0.78 0.47 0.00 -0.61 0.00 0.00 39.78 39.34 2buk n ASN 21 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2buk n THR 22 N -2.21 0.11 -0.02 3.41 5.66 -0.60 -3.37 114.28 117.27 2buk n THR 22 Ca 0.05 -0.27 0.04 0.00 -3.05 0.00 0.00 64.05 60.82 2buk n THR 22 Cb 0.39 0.33 -0.09 0.00 -1.55 0.00 0.00 70.33 69.40 2buk n THR 22 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2buk n HIS 23 N 0.13 0.00 -3.51 1.09 8.25 -1.06 -4.97 115.22 115.14 2buk n HIS 23 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.26 2buk n HIS 23 Cb 0.31 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 2buk n HIS 23 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2buk s LEU 24 N -4.07 4.39 0.06 2.41 1.43 -1.18 -5.05 118.68 116.67 2buk s LEU 24 Ca -0.05 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 2buk s LEU 24 Cb 0.07 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2buk s LEU 24 CO 0.51 0.24 1.15 -0.70 0.23 0.00 0.00 176.35 177.77 2buk s GLU 25 N -0.50 4.47 -0.99 1.70 2.12 -1.26 -4.94 118.70 119.30 2buk s GLU 25 Ca 0.22 1.70 -0.13 0.00 0.36 0.00 0.00 54.97 57.12 2buk s GLU 25 Cb -0.15 -3.36 0.21 0.00 0.26 0.00 0.00 34.13 31.09 2buk s GLU 25 CO 0.10 -0.19 1.05 -1.01 -0.54 0.00 0.00 175.26 174.66 2buk s HIS 26 N 0.95 3.75 0.80 5.30 3.76 -1.26 -4.10 115.29 124.49 2buk s HIS 26 Ca 0.57 -2.11 -0.11 0.00 -0.15 0.00 0.00 55.06 53.26 2buk s HIS 26 Cb -0.28 -3.99 0.08 0.00 1.11 0.00 0.00 32.58 29.49 2buk s HIS 26 CO 0.29 -1.14 1.12 0.15 -0.85 0.00 0.00 174.74 174.31 2buk s LYS 27 N 0.45 1.93 0.02 1.40 1.02 0.19 -4.76 119.74 119.99 2buk s LYS 27 Ca 0.29 1.33 0.01 0.00 0.02 0.00 0.00 55.97 57.62 2buk s LYS 27 Cb -0.08 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.37 2buk s LYS 27 CO -0.07 -1.92 -0.05 1.03 -0.92 0.00 0.00 175.35 173.42 2buk s ARG 28 N -4.71 0.36 -0.03 1.68 0.52 -0.68 -1.66 118.95 114.42 2buk s ARG 28 Ca 0.64 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.38 2buk s ARG 28 Cb -0.20 -0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.13 2buk s ARG 28 CO 0.55 0.03 -0.02 0.12 0.02 0.00 0.00 175.30 176.00 2buk s PHE 29 N -0.92 0.44 0.12 -0.53 5.36 -0.52 -3.44 117.98 118.49 2buk s PHE 29 Ca -0.07 -0.06 0.09 0.00 -0.96 0.00 0.00 56.93 55.92 2buk s PHE 29 Cb -0.07 -0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 42.13 2buk s PHE 29 CO -0.00 -0.13 -0.23 0.00 -1.46 0.00 0.00 175.22 173.40 2buk s ALA 30 N 0.82 2.04 -0.22 11.12 0.00 -1.26 -1.16 121.76 133.09 2buk s ALA 30 Ca -0.09 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.28 2buk s ALA 30 Cb -0.12 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.77 2buk s ALA 30 CO -0.01 0.42 0.67 -1.17 0.00 0.00 0.00 175.76 175.66 2buk s LEU 31 N -2.03 -0.55 -0.02 0.00 0.20 -0.44 -5.00 118.68 110.83 2buk s LEU 31 Ca 0.10 1.24 0.03 0.00 0.69 0.00 0.00 54.13 56.19 2buk s LEU 31 Cb -0.10 2.32 -0.00 0.00 -0.43 0.00 0.00 46.19 47.98 2buk s LEU 31 CO 0.05 -0.29 -0.09 -0.51 -0.29 0.00 0.00 176.35 175.22 2buk s ILE 32 N 0.11 0.78 -0.36 6.68 2.07 -1.26 -0.70 121.20 128.51 2buk s ILE 32 Ca -0.02 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 2buk s ILE 32 Cb -0.04 -0.67 0.14 0.00 0.13 0.00 0.00 42.46 42.01 2buk s ILE 32 CO 0.02 0.23 0.21 0.21 -1.91 0.00 0.00 174.94 173.70 2buk s ASN 33 N -0.04 3.14 0.25 4.50 2.47 0.17 -4.99 114.94 120.44 2buk s ASN 33 Ca 0.01 -2.17 0.07 0.00 0.42 0.00 0.00 52.86 51.18 2buk s ASN 33 Cb -0.06 -0.50 -0.04 0.00 -1.45 0.00 0.00 41.25 39.20 2buk s ASN 33 CO -0.00 -0.32 0.22 -0.44 -3.72 0.00 0.00 177.10 172.84 2buk s SER 34 N 1.05 5.62 -1.15 -4.21 0.01 -1.26 -0.99 113.70 112.77 2buk s SER 34 Ca 0.17 -0.21 -0.07 0.00 1.31 0.00 0.00 55.95 57.14 2buk s SER 34 Cb -0.23 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.52 2buk s SER 34 CO -0.02 -0.04 0.85 0.61 0.41 0.00 0.00 173.24 175.04 2buk n GLY 35 N -1.21 -0.82 3.79 3.44 0.00 -1.22 -4.99 105.19 104.18 2buk n GLY 35 Ca -0.08 0.39 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 2buk n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2buk s ASN 36 N -3.76 5.53 -0.03 1.61 -0.87 -0.66 -4.92 114.94 111.84 2buk s ASN 36 Ca 0.30 -0.08 -0.04 0.00 -1.57 0.00 0.00 52.86 51.47 2buk s ASN 36 Cb -0.06 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.25 39.66 2buk s ASN 36 CO 0.78 0.11 0.18 0.42 -2.57 0.00 0.00 177.10 176.03 2buk s THR 37 N -1.60 5.44 0.34 1.60 -4.23 -1.26 -0.32 115.64 115.60 2buk s THR 37 Ca 0.30 -0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2buk s THR 37 Cb -0.11 -3.52 -0.12 0.00 1.34 0.00 0.00 72.50 70.09 2buk s THR 37 CO 0.23 0.38 1.43 -3.20 -0.54 0.00 0.00 174.62 172.92 2buk n ASN 38 N 1.14 3.35 -4.12 3.99 2.85 -0.47 -4.91 115.26 117.08 2buk n ASN 38 Ca -0.12 1.20 -0.28 0.00 -0.11 0.00 0.00 54.58 55.26 2buk n ASN 38 Cb 0.53 -1.55 -0.17 0.00 1.24 0.00 0.00 39.78 39.83 2buk n ASN 38 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2buk s ALA 39 N -0.81 1.72 -0.61 5.20 0.00 -1.24 -3.99 121.76 122.03 2buk s ALA 39 Ca 0.57 -0.70 0.25 0.00 0.00 0.00 0.00 51.96 52.08 2buk s ALA 39 Cb -0.53 -0.68 0.51 0.00 0.00 0.00 0.00 23.12 22.41 2buk s ALA 39 CO 0.59 0.21 1.53 1.79 0.00 0.00 0.00 175.76 179.88 2buk h THR 40 N 5.82 0.00 0.00 0.00 1.35 -1.73 0.25 112.91 118.60 2buk h THR 40 Ca -0.25 -0.62 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 2buk h THR 40 Cb 1.21 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 2buk h THR 40 CO 0.47 0.00 -2.00 0.00 -0.25 0.00 0.00 175.52 173.74 2buk n ALA 41 N -1.89 2.64 0.00 6.62 0.00 -1.26 -4.45 120.51 122.17 2buk n ALA 41 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2buk n ALA 41 Cb 0.46 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2buk n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2buk n GLY 42 N 1.37 -1.30 3.12 0.00 0.00 -1.21 -4.83 105.19 102.33 2buk n GLY 42 Ca -0.07 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 2buk n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2buk s THR 43 N -2.52 0.13 -0.14 2.61 -4.23 -0.58 -4.94 115.64 105.96 2buk s THR 43 Ca 0.00 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 2buk s THR 43 Cb 0.00 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.98 2buk s THR 43 CO 0.00 -0.57 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.62 2buk s VAL 44 N -2.54 1.91 0.07 2.29 1.01 -1.26 -1.05 120.40 120.83 2buk s VAL 44 Ca -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2buk s VAL 44 Cb -0.01 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2buk s VAL 44 CO -0.04 0.52 0.04 -1.10 0.00 0.00 0.00 175.10 174.52 2buk s GLN 45 N 0.92 2.74 0.03 2.72 -1.52 0.90 -4.96 119.66 120.50 2buk s GLN 45 Ca -0.05 -0.73 -0.18 0.00 -1.95 0.00 0.00 55.36 52.45 2buk s GLN 45 Cb -0.15 -2.65 -0.06 0.00 -0.22 0.00 0.00 33.01 29.93 2buk s GLN 45 CO -0.03 0.57 0.52 -0.80 -0.25 0.00 0.00 175.29 175.30 2buk s ASN 46 N -2.21 6.96 0.00 5.90 0.01 -1.26 -1.64 114.94 122.70 2buk s ASN 46 Ca 0.26 1.14 0.00 0.00 -0.71 0.00 0.00 52.86 53.56 2buk s ASN 46 Cb -0.12 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.22 2buk s ASN 46 CO 0.18 0.26 0.00 0.18 -1.51 0.00 0.00 177.10 176.21 2buk n LEU 47 N 1.95 1.99 -0.61 0.60 4.77 -1.06 -4.84 117.00 119.80 2buk n LEU 47 Ca -0.11 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 2buk n LEU 47 Cb 0.51 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2buk n LEU 47 CO 0.40 0.32 0.38 -1.54 -1.33 0.00 0.00 177.39 175.62 2buk n SER 48 N -2.31 2.27 0.20 -1.43 3.41 -1.20 -4.32 113.62 110.23 2buk n SER 48 Ca 0.00 -1.63 0.05 0.00 -0.26 0.00 0.00 58.87 57.02 2buk n SER 48 Cb 0.37 0.36 0.42 0.00 -0.26 0.00 0.00 64.21 65.10 2buk n SER 48 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2buk h ASN 49 N 2.99 0.00 0.33 4.04 -0.73 -1.88 -3.06 115.58 117.27 2buk h ASN 49 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2buk h ASN 49 Cb 0.81 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.40 2buk h ASN 49 CO 0.00 0.33 0.00 1.23 -0.37 0.00 0.00 177.43 178.62 2buk h GLY 50 N 1.22 0.00 -7.26 1.57 0.00 -1.93 -3.40 103.07 93.27 2buk h GLY 50 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 2buk h GLY 50 CO 0.04 0.00 1.14 -0.42 0.00 0.00 0.00 176.54 177.30 2buk s ILE 51 N -3.96 3.95 0.33 2.60 1.01 -1.16 -4.94 121.20 119.03 2buk s ILE 51 Ca -0.03 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2buk s ILE 51 Cb 0.11 -4.93 -0.01 0.00 0.01 0.00 0.00 42.46 37.64 2buk s ILE 51 CO 0.44 -1.81 0.45 0.27 0.00 0.00 0.00 174.94 174.29 2buk s ILE 52 N 5.01 4.01 0.14 2.92 -4.36 -1.26 -4.78 121.20 122.89 2buk s ILE 52 Ca 0.37 -1.04 -0.31 0.00 -0.26 0.00 0.00 60.65 59.41 2buk s ILE 52 Cb -0.06 -3.38 -0.08 0.00 1.25 0.00 0.00 42.46 40.18 2buk s ILE 52 CO 0.03 -0.16 1.41 -1.10 0.24 0.00 0.00 174.94 175.36 2buk s GLN 53 N -4.15 4.31 0.00 0.37 -0.21 -0.88 -1.03 119.66 118.07 2buk s GLN 53 Ca 0.44 2.12 0.00 0.00 0.02 0.00 0.00 55.36 57.95 2buk s GLN 53 Cb -0.09 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.70 2buk s GLN 53 CO 0.30 -0.44 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 2buk n GLY 54 N 3.32 -1.38 0.76 3.09 0.00 -0.69 -4.82 105.19 105.46 2buk n GLY 54 Ca 0.11 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 45.16 2buk n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2buk n ASP 55 N 0.50 3.48 -4.72 1.61 10.43 -1.26 -3.86 116.55 122.73 2buk n ASP 55 Ca 0.00 -2.68 -0.24 0.00 2.57 0.00 0.00 54.79 54.44 2buk n ASP 55 Cb 0.00 -0.43 0.09 0.00 1.84 0.00 0.00 41.12 42.63 2buk n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2buk s ASP 56 N -1.66 4.49 0.54 -2.24 3.68 -1.26 -5.00 116.67 115.23 2buk s ASP 56 Ca 0.35 -0.15 0.29 0.00 2.13 0.00 0.00 52.55 55.17 2buk s ASP 56 Cb 0.26 -0.34 1.55 0.00 -1.45 0.00 0.00 42.92 42.95 2buk s ASP 56 CO 0.10 -1.75 2.11 -0.29 0.13 0.00 0.00 175.17 175.47 2buk h ILE 57 N -0.50 0.50 -0.34 4.11 2.10 -1.95 -2.83 117.51 118.60 2buk h ILE 57 Ca -0.39 -0.43 -0.20 0.00 1.08 0.00 0.00 64.86 64.93 2buk h ILE 57 Cb 1.28 1.28 -0.12 0.00 -1.09 0.00 0.00 36.82 38.17 2buk h ILE 57 CO 0.45 0.09 -0.21 -0.46 -1.08 0.00 0.00 178.15 176.94 2buk n ASN 58 N -3.61 2.68 -3.32 2.19 6.94 -1.22 -1.69 115.26 117.22 2buk n ASN 58 Ca -0.02 -3.82 -0.19 0.00 -0.02 0.00 0.00 54.58 50.53 2buk n ASN 58 Cb 0.21 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 36.98 2buk n ASN 58 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2buk n GLN 59 N -1.08 0.81 -4.02 -3.83 6.02 -1.07 -4.38 117.38 109.83 2buk n GLN 59 Ca 0.32 -2.44 -0.09 0.00 -0.01 0.00 0.00 57.00 54.78 2buk n GLN 59 Cb 0.95 1.15 -0.09 0.00 1.02 0.00 0.00 30.24 33.27 2buk n GLN 59 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2buk s ARG 60 N -3.13 0.91 -0.13 -1.09 1.70 -0.20 -4.87 118.95 112.15 2buk s ARG 60 Ca 0.11 -1.21 0.01 0.00 -0.47 0.00 0.00 55.73 54.17 2buk s ARG 60 Cb 0.01 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 2buk s ARG 60 CO 0.08 -0.28 -0.17 0.45 -1.08 0.00 0.00 175.30 174.30 2buk s SER 61 N -2.96 3.63 0.00 -2.89 0.15 -1.26 -1.71 113.70 108.66 2buk s SER 61 Ca 0.14 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2buk s SER 61 Cb 0.06 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 2buk s SER 61 CO -0.04 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2buk n GLY 62 N 3.68 -1.41 0.42 9.45 0.00 -1.26 -4.37 105.19 111.70 2buk n GLY 62 Ca -0.19 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.60 2buk n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2buk n ASP 63 N 0.09 2.10 -3.97 1.61 8.00 -1.26 -4.88 116.55 118.24 2buk n ASP 63 Ca 0.00 -3.52 -0.09 0.00 0.71 0.00 0.00 54.79 51.88 2buk n ASP 63 Cb 0.00 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 2buk n ASP 63 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2buk s GLN 64 N -3.07 0.33 0.05 -1.24 -0.21 -1.26 -0.67 119.66 113.58 2buk s GLN 64 Ca 0.36 -0.60 -0.23 0.00 0.02 0.00 0.00 55.36 54.92 2buk s GLN 64 Cb 0.33 0.12 0.05 0.00 1.00 0.00 0.00 33.01 34.52 2buk s GLN 64 CO -0.02 -0.06 0.53 0.14 -2.12 0.00 0.00 175.29 173.77 2buk s VAL 65 N -1.47 0.03 -0.27 1.09 -7.23 -0.76 -4.74 120.40 107.03 2buk s VAL 65 Ca -0.16 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 2buk s VAL 65 Cb -0.10 -0.98 0.07 0.00 0.56 0.00 0.00 36.38 35.93 2buk s VAL 65 CO -0.01 -0.12 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.48 2buk s ARG 66 N -2.49 1.80 -0.28 4.82 0.52 -0.73 -0.72 118.95 121.87 2buk s ARG 66 Ca -0.05 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 53.55 2buk s ARG 66 Cb -0.01 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.67 2buk s ARG 66 CO -0.02 -0.67 1.17 0.42 0.02 0.00 0.00 175.30 176.21 2buk s ILE 67 N 1.19 4.38 0.07 1.52 1.01 -0.44 -0.16 121.20 128.78 2buk s ILE 67 Ca -0.03 1.61 -0.12 0.00 0.00 0.00 0.00 60.65 62.11 2buk s ILE 67 Cb -0.19 -4.26 -0.26 0.00 0.01 0.00 0.00 42.46 37.75 2buk s ILE 67 CO -0.07 -0.39 1.16 0.58 0.00 0.00 0.00 174.94 176.21 2buk h VAL 68 N 5.73 1.33 -1.64 2.92 2.07 0.94 -2.54 116.25 125.05 2buk h VAL 68 Ca -0.23 -2.50 0.05 0.00 0.82 0.00 0.00 66.70 64.84 2buk h VAL 68 Cb 1.08 2.63 -0.26 0.00 -1.52 0.00 0.00 31.29 33.23 2buk h VAL 68 CO 1.02 0.76 0.42 -0.94 0.02 0.00 0.00 177.57 178.84 2buk s SER 69 N -7.32 -0.48 0.04 0.57 1.04 -1.08 -2.42 113.70 104.05 2buk s SER 69 Ca -0.08 0.92 0.02 0.00 0.48 0.00 0.00 55.95 57.29 2buk s SER 69 Cb 0.06 0.93 -0.02 0.00 0.10 0.00 0.00 66.02 67.09 2buk s SER 69 CO 0.91 -0.17 -0.07 -1.38 0.98 0.00 0.00 173.24 173.51 2buk s HIS 70 N 0.20 0.64 -0.02 5.02 -0.00 -0.16 -0.92 115.29 120.06 2buk s HIS 70 Ca 0.03 -0.52 0.05 0.00 -0.00 0.00 0.00 55.06 54.62 2buk s HIS 70 Cb -0.05 -0.39 -0.01 0.00 -0.00 0.00 0.00 32.58 32.13 2buk s HIS 70 CO -0.05 -0.09 -0.16 0.21 -0.00 0.00 0.00 174.74 174.65 2buk s LYS 71 N -1.64 1.38 -0.05 -0.38 2.20 0.12 -1.06 119.74 120.30 2buk s LYS 71 Ca -0.10 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2buk s LYS 71 Cb -0.10 -1.29 -0.00 0.00 -1.51 0.00 0.00 37.83 34.93 2buk s LYS 71 CO 0.00 0.31 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.96 2buk s LEU 72 N -0.25 1.91 -0.16 5.43 2.96 0.21 -1.49 118.68 127.28 2buk s LEU 72 Ca 0.04 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2buk s LEU 72 Cb -0.07 -0.98 0.03 0.00 0.50 0.00 0.00 46.19 45.67 2buk s LEU 72 CO 0.00 0.15 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.80 2buk s HIS 73 N 0.09 2.05 -0.05 5.38 5.65 -0.38 -0.79 115.29 127.25 2buk s HIS 73 Ca -0.05 -1.25 0.06 0.00 0.25 0.00 0.00 55.06 54.06 2buk s HIS 73 Cb -0.12 -1.50 -0.02 0.00 -1.18 0.00 0.00 32.58 29.76 2buk s HIS 73 CO 0.03 -0.66 -0.22 0.14 -0.65 0.00 0.00 174.74 173.38 2buk s VAL 74 N 1.52 2.41 -0.00 0.89 -7.23 -0.40 -1.63 120.40 115.96 2buk s VAL 74 Ca 0.02 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2buk s VAL 74 Cb -0.14 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 2buk s VAL 74 CO -0.09 0.58 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.64 2buk s ARG 75 N -0.47 0.36 -0.02 4.82 3.52 -0.18 -0.70 118.95 126.29 2buk s ARG 75 Ca 0.06 -0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 2buk s ARG 75 Cb -0.12 -0.35 -0.00 0.00 -1.56 0.00 0.00 34.95 32.92 2buk s ARG 75 CO 0.01 0.09 -0.10 0.20 -0.81 0.00 0.00 175.30 174.69 2buk s GLY 76 N -0.07 0.52 -0.08 8.12 0.00 -0.13 -0.53 107.32 115.15 2buk s GLY 76 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2buk s GLY 76 CO -0.00 -0.24 -0.10 -1.59 0.00 0.00 0.00 173.10 171.17 2buk s THR 77 N -0.04 1.00 0.06 0.90 2.01 0.89 -2.07 115.64 118.39 2buk s THR 77 Ca 0.01 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2buk s THR 77 Cb -0.06 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2buk s THR 77 CO 0.00 0.34 0.95 0.00 -0.69 0.00 0.00 174.62 175.22 2buk s ALA 78 N 1.01 3.22 -0.03 7.40 0.00 -0.40 -1.73 121.76 131.23 2buk s ALA 78 Ca -0.08 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2buk s ALA 78 Cb -0.15 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2buk s ALA 78 CO -0.00 -0.11 0.02 0.42 0.00 0.00 0.00 175.76 176.09 2buk s ILE 79 N 0.44 0.04 0.00 0.00 1.01 -1.26 -4.91 121.20 116.52 2buk s ILE 79 Ca 0.48 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2buk s ILE 79 Cb -0.22 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.08 2buk s ILE 79 CO 0.28 0.12 0.00 0.41 0.00 0.00 0.00 174.94 175.75 2buk n THR 80 N 4.25 0.00 -4.30 2.92 -1.04 -1.26 -4.31 114.28 110.53 2buk n THR 80 Ca -0.26 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.59 2buk n THR 80 Cb 0.50 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.91 2buk n THR 80 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2buk s VAL 81 N 0.00 1.24 0.04 12.58 -7.23 -1.26 -5.07 120.40 120.70 2buk s VAL 81 Ca 0.00 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 2buk s VAL 81 Cb 0.00 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2buk s VAL 81 CO 0.00 -0.55 1.05 -0.44 -0.31 0.00 0.00 175.10 174.85 2buk s SER 82 N -3.25 7.29 0.33 4.85 0.01 -1.26 -4.80 113.70 116.87 2buk s SER 82 Ca 0.22 1.81 -0.02 0.00 1.31 0.00 0.00 55.95 59.28 2buk s SER 82 Cb 0.03 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 2buk s SER 82 CO 0.05 -0.29 0.43 0.00 0.41 0.00 0.00 173.24 173.83 2buk s GLN 83 N 0.80 1.83 0.03 12.44 -2.07 -0.31 -5.00 119.66 127.38 2buk s GLN 83 Ca 0.53 -1.76 0.07 0.00 -1.82 0.00 0.00 55.36 52.38 2buk s GLN 83 Cb -0.24 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 2buk s GLN 83 CO 0.29 -0.74 -0.18 0.99 -1.32 0.00 0.00 175.29 174.33 2buk s THR 84 N -3.22 2.82 -0.10 3.63 2.01 -1.26 -1.02 115.64 118.49 2buk s THR 84 Ca 0.32 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2buk s THR 84 Cb 0.00 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.36 2buk s THR 84 CO 0.20 0.38 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.06 2buk s PHE 85 N -0.89 1.48 -0.10 4.92 0.08 -0.13 -3.36 117.98 119.97 2buk s PHE 85 Ca 0.14 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.55 2buk s PHE 85 Cb -0.10 -1.18 -0.01 0.00 -0.57 0.00 0.00 43.02 41.16 2buk s PHE 85 CO 0.05 -0.43 -0.19 0.50 -0.10 0.00 0.00 175.22 175.05 2buk s ARG 86 N 1.33 3.03 -0.13 0.44 3.52 -0.07 -0.11 118.95 126.95 2buk s ARG 86 Ca -0.02 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 2buk s ARG 86 Cb -0.14 -2.41 0.02 0.00 -1.56 0.00 0.00 34.95 30.86 2buk s ARG 86 CO -0.04 0.28 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.55 2buk s PHE 87 N 0.13 1.91 -0.31 5.12 0.08 0.16 -1.99 117.98 123.08 2buk s PHE 87 Ca -0.10 -1.04 0.01 0.00 0.12 0.00 0.00 56.93 55.93 2buk s PHE 87 Cb -0.16 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.91 2buk s PHE 87 CO 0.06 -0.61 0.00 0.42 -0.10 0.00 0.00 175.22 174.99 2buk s ILE 88 N 1.56 2.55 -0.22 0.64 1.01 0.28 -0.15 121.20 126.87 2buk s ILE 88 Ca 0.05 -1.82 -0.22 0.00 0.00 0.00 0.00 60.65 58.66 2buk s ILE 88 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2buk s ILE 88 CO -0.10 -0.29 0.71 0.86 0.00 0.00 0.00 174.94 176.13 2buk s TRP 89 N 1.09 3.35 0.05 3.97 -0.00 0.10 -0.47 118.94 127.02 2buk s TRP 89 Ca -0.00 1.01 -0.11 0.00 -0.00 0.00 0.00 56.10 57.00 2buk s TRP 89 Cb -0.20 -2.91 0.01 0.00 -0.00 0.00 0.00 33.47 30.37 2buk s TRP 89 CO -0.05 -0.27 0.24 -0.59 -0.00 0.00 0.00 176.95 176.28 2buk s PHE 90 N 2.31 -0.00 -0.20 5.86 -0.71 -0.38 -0.51 117.98 124.34 2buk s PHE 90 Ca 0.31 -0.21 -0.07 0.00 -1.04 0.00 0.00 56.93 55.92 2buk s PHE 90 Cb -0.16 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.64 2buk s PHE 90 CO 0.10 -0.48 0.05 0.50 -1.34 0.00 0.00 175.22 174.05 2buk s ARG 91 N -2.74 3.82 -0.52 1.99 3.52 -0.36 -0.71 118.95 123.96 2buk s ARG 91 Ca -0.04 -0.42 -0.19 0.00 -0.13 0.00 0.00 55.73 54.96 2buk s ARG 91 Cb -0.00 -3.21 0.07 0.00 -1.56 0.00 0.00 34.95 30.25 2buk s ARG 91 CO -0.05 0.11 0.61 0.34 -0.81 0.00 0.00 175.30 175.50 2buk s ASP 92 N 0.79 6.20 0.43 -2.12 -1.08 0.05 -1.30 116.67 119.65 2buk s ASP 92 Ca 0.03 -1.09 0.23 0.00 -0.52 0.00 0.00 52.55 51.20 2buk s ASP 92 Cb -0.14 -2.28 0.44 0.00 -1.46 0.00 0.00 42.92 39.49 2buk s ASP 92 CO 0.02 -0.90 1.64 0.78 0.52 0.00 0.00 175.17 177.23 2buk h ASN 93 N 9.00 0.00 -0.39 -0.34 2.35 -1.45 0.59 115.58 125.33 2buk h ASN 93 Ca -0.28 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.17 2buk h ASN 93 Cb 1.10 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.16 2buk h ASN 93 CO 0.98 0.09 -0.83 0.23 -1.65 0.00 0.00 177.43 176.25 2buk n MET 94 N -3.13 2.23 -2.31 0.81 2.81 -1.24 -4.41 117.12 111.87 2buk n MET 94 Ca 0.03 -3.53 -0.41 0.00 -1.81 0.00 0.00 57.70 51.98 2buk n MET 94 Cb 0.53 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 2buk n MET 94 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2buk s ASN 95 N -3.34 7.00 -0.11 7.83 3.84 -1.26 -4.90 114.94 124.00 2buk s ASN 95 Ca 0.40 2.27 0.15 0.00 0.21 0.00 0.00 52.86 55.89 2buk s ASN 95 Cb 0.38 -2.60 0.28 0.00 -0.55 0.00 0.00 41.25 38.76 2buk s ASN 95 CO -0.03 -0.46 1.18 0.54 -2.79 0.00 0.00 177.10 175.54 2buk n ARG 96 N 2.84 1.97 0.00 0.43 1.74 -1.26 -2.88 116.66 119.49 2buk n ARG 96 Ca 0.06 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 2buk n ARG 96 Cb 0.44 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2buk n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2buk n GLY 97 N -1.00 0.67 3.85 -0.13 0.00 -1.02 -5.00 105.19 102.55 2buk n GLY 97 Ca 0.14 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 2buk n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2buk s THR 98 N -0.79 0.00 -0.31 2.61 -4.23 -0.85 -3.97 115.64 108.09 2buk s THR 98 Ca 0.00 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 2buk s THR 98 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.63 2buk s THR 98 CO 0.00 0.00 0.12 -0.89 -0.54 0.00 0.00 174.62 173.31 2buk s THR 99 N -3.53 4.32 0.72 3.99 2.01 -1.26 -4.83 115.64 117.06 2buk s THR 99 Ca 0.12 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 2buk s THR 99 Cb -0.06 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2buk s THR 99 CO 0.08 0.06 1.17 -2.65 -0.69 0.00 0.00 174.62 172.59 2buk n PRO 100 N 4.93 0.65 -2.56 4.92 -0.01 -1.26 -4.99 135.00 136.68 2buk n PRO 100 Ca -0.14 0.28 -0.23 0.00 -0.01 0.00 0.00 63.50 63.41 2buk n PRO 100 Cb 0.48 -2.41 0.04 0.00 -0.01 0.00 0.00 33.50 31.60 2buk n PRO 100 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 2buk s THR 101 N -1.74 2.73 0.30 3.45 -4.23 -1.26 -4.74 115.64 110.16 2buk s THR 101 Ca 0.77 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.83 2buk s THR 101 Cb -0.34 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.48 2buk s THR 101 CO 0.46 -0.05 1.71 0.58 -0.54 0.00 0.00 174.62 176.79 2buk h VAL 102 N -0.07 1.32 0.00 2.29 2.07 -1.92 -2.92 116.25 117.03 2buk h VAL 102 Ca -0.43 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2buk h VAL 102 Cb 1.30 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2buk h VAL 102 CO 0.55 0.46 0.00 0.18 0.02 0.00 0.00 177.57 178.77 2buk n LEU 103 N -4.02 0.00 0.01 2.57 4.77 -1.26 -0.78 117.00 118.29 2buk n LEU 103 Ca -0.02 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2buk n LEU 103 Cb 0.48 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2buk n LEU 103 CO 0.41 -0.02 -0.31 -0.33 -1.33 0.00 0.00 177.39 175.81 2buk h GLU 104 N 0.00 0.00 0.00 3.23 5.08 -1.92 -3.40 114.58 117.58 2buk h GLU 104 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 2buk h GLU 104 Cb 0.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 2buk h GLU 104 CO 0.00 0.63 -2.50 0.28 -1.00 0.00 0.00 179.01 176.42 2buk n VAL 105 N -3.13 1.52 -3.71 3.13 0.31 -1.10 -4.71 118.33 110.65 2buk n VAL 105 Ca -0.12 -0.44 -0.33 0.00 -0.01 0.00 0.00 64.34 63.44 2buk n VAL 105 Cb 1.01 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 32.16 2buk n VAL 105 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2buk s LEU 106 N -7.19 4.32 0.12 7.52 1.02 0.04 -1.02 118.68 123.48 2buk s LEU 106 Ca -0.37 0.58 -0.14 0.00 0.02 0.00 0.00 54.13 54.21 2buk s LEU 106 Cb 0.13 -3.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.24 2buk s LEU 106 CO 0.53 0.13 1.52 -1.13 0.02 0.00 0.00 176.35 177.42 2buk h ASN 107 N 3.28 0.74 -4.94 2.29 -0.00 -1.55 -3.38 115.58 112.01 2buk h ASN 107 Ca -0.47 -0.37 -0.19 0.00 -0.00 0.00 0.00 56.30 55.26 2buk h ASN 107 Cb 1.18 -0.20 -0.19 0.00 -0.00 0.00 0.00 38.32 39.10 2buk h ASN 107 CO 0.70 0.94 -0.70 0.42 -0.00 0.00 0.00 177.43 178.79 2buk s THR 108 N -4.75 0.31 -1.21 -3.57 -4.23 -1.26 -4.94 115.64 95.99 2buk s THR 108 Ca -0.13 -1.28 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 2buk s THR 108 Cb 0.10 -0.80 -0.05 0.00 1.34 0.00 0.00 72.50 73.09 2buk s THR 108 CO 0.81 -0.63 2.22 0.00 -0.54 0.00 0.00 174.62 176.48 2buk n ALA 109 N 1.03 5.04 -2.91 3.99 0.00 -1.26 -4.77 120.51 121.62 2buk n ALA 109 Ca -0.20 -3.46 -0.11 0.00 0.00 0.00 0.00 53.44 49.67 2buk n ALA 109 Cb 0.57 -3.49 -0.13 0.00 0.00 0.00 0.00 19.45 16.40 2buk n ALA 109 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2buk s ASN 110 N 3.64 0.06 0.24 0.00 3.84 -1.26 -4.59 114.94 116.87 2buk s ASN 110 Ca 0.52 -0.14 0.23 0.00 0.21 0.00 0.00 52.86 53.69 2buk s ASN 110 Cb 0.14 0.05 0.95 0.00 -0.55 0.00 0.00 41.25 41.84 2buk s ASN 110 CO -0.02 -0.10 1.70 2.22 -2.79 0.00 0.00 177.10 178.12 2buk n PHE 111 N 2.61 0.76 1.01 0.43 1.16 -1.26 -2.68 117.46 119.48 2buk n PHE 111 Ca -0.16 0.29 0.11 0.00 -1.87 0.00 0.00 57.45 55.83 2buk n PHE 111 Cb 0.58 -0.97 -0.00 0.00 -1.61 0.00 0.00 39.48 37.48 2buk n PHE 111 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 2buk n MET 112 N -2.19 1.12 -2.28 3.97 2.81 -1.26 -4.98 117.12 114.31 2buk n MET 112 Ca 0.02 -0.92 -0.35 0.00 -1.81 0.00 0.00 57.70 54.64 2buk n MET 112 Cb 0.24 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2buk n MET 112 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2buk s SER 113 N -2.52 5.78 0.79 7.83 0.15 -1.09 -5.07 113.70 119.58 2buk s SER 113 Ca 0.18 2.16 -0.08 0.00 0.70 0.00 0.00 55.95 58.91 2buk s SER 113 Cb 0.18 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 62.03 2buk s SER 113 CO 0.59 -1.18 1.11 -1.10 1.20 0.00 0.00 173.24 173.87 2buk s GLN 114 N -3.27 1.56 0.59 5.44 -1.52 -1.26 -4.88 119.66 116.32 2buk s GLN 114 Ca 0.72 -0.51 -0.16 0.00 -1.95 0.00 0.00 55.36 53.46 2buk s GLN 114 Cb -0.23 -2.10 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 2buk s GLN 114 CO 0.26 -1.68 1.06 0.71 -0.25 0.00 0.00 175.29 175.39 2buk s TYR 115 N -3.44 2.99 -0.14 0.91 2.02 -1.26 -1.82 117.35 116.61 2buk s TYR 115 Ca 0.66 1.51 -0.29 0.00 -0.37 0.00 0.00 57.07 58.58 2buk s TYR 115 Cb -0.07 -3.01 -0.06 0.00 -0.40 0.00 0.00 41.96 38.42 2buk s TYR 115 CO 0.47 -1.11 2.05 1.21 -1.57 0.00 0.00 175.55 176.60 2buk s ASN 116 N -2.78 5.91 0.41 2.29 3.84 -0.19 -4.33 114.94 120.09 2buk s ASN 116 Ca 0.64 2.09 0.08 0.00 0.21 0.00 0.00 52.86 55.88 2buk s ASN 116 Cb -0.16 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.89 2buk s ASN 116 CO 0.37 -1.57 2.04 -0.65 -2.79 0.00 0.00 177.10 174.50 2buk h PRO 117 N 12.99 0.54 -0.06 0.43 0.10 -1.92 -2.71 132.00 141.37 2buk h PRO 117 Ca -0.43 -0.03 -0.24 0.00 0.10 0.00 0.00 66.00 65.40 2buk h PRO 117 Cb 1.23 -0.12 0.02 0.00 0.10 0.00 0.00 31.00 32.22 2buk h PRO 117 CO 0.96 0.36 -0.90 0.82 0.10 0.00 0.00 178.00 179.34 2buk h ILE 118 N 0.55 1.29 0.00 4.15 2.04 -1.96 -2.90 117.51 120.68 2buk h ILE 118 Ca 0.18 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.92 2buk h ILE 118 Cb 0.04 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2buk h ILE 118 CO -0.04 0.66 0.00 0.71 0.00 0.00 0.00 178.15 179.47 2buk h THR 119 N 0.39 0.00 -0.01 -0.27 1.35 -1.81 -3.07 112.91 109.49 2buk h THR 119 Ca -0.10 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2buk h THR 119 Cb 1.55 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2buk h THR 119 CO 0.18 0.00 -0.68 0.18 -0.25 0.00 0.00 175.52 174.94 2buk n LEU 120 N -2.67 1.23 0.12 3.87 4.32 -1.03 -1.25 117.00 121.59 2buk n LEU 120 Ca 0.04 -0.47 -0.22 0.00 -0.02 0.00 0.00 56.01 55.34 2buk n LEU 120 Cb 0.45 -0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.05 2buk n LEU 120 CO 0.31 0.26 -0.27 -0.61 -1.22 0.00 0.00 177.39 175.86 2buk h GLN 121 N 0.86 0.44 -0.01 3.23 4.15 -1.42 -3.27 115.11 119.09 2buk h GLN 121 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 58.65 58.67 2buk h GLN 121 Cb 0.58 0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2buk h GLN 121 CO 0.00 1.35 -0.23 0.00 -1.93 0.00 0.00 178.83 178.02 2buk n GLN 122 N -3.63 0.73 -3.31 1.69 10.64 -1.19 -4.96 117.38 117.35 2buk n GLN 122 Ca -0.17 -0.39 -0.16 0.00 -1.83 0.00 0.00 57.00 54.45 2buk n GLN 122 Cb 1.08 -1.49 0.07 0.00 -0.86 0.00 0.00 30.24 29.04 2buk n GLN 122 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2buk n LYS 123 N -0.79 -3.20 0.04 2.61 4.76 -1.19 -4.92 118.16 115.47 2buk n LYS 123 Ca 0.12 0.85 -0.09 0.00 -2.87 0.00 0.00 58.31 56.32 2buk n LYS 123 Cb 0.33 -5.77 0.05 0.00 -1.84 0.00 0.00 35.03 27.80 2buk n LYS 123 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2buk h ARG 124 N -1.30 0.44 -5.39 1.97 2.43 -1.48 -3.44 114.38 107.61 2buk h ARG 124 Ca -0.61 -0.32 -0.41 0.00 -0.81 0.00 0.00 59.98 57.84 2buk h ARG 124 Cb 1.32 0.05 -0.18 0.00 -0.42 0.00 0.00 29.97 30.75 2buk h ARG 124 CO 0.46 0.94 -0.75 -0.06 -1.51 0.00 0.00 179.97 179.04 2buk s PHE 125 N -3.79 1.41 -0.22 2.20 0.08 -1.25 -1.21 117.98 115.19 2buk s PHE 125 Ca -0.06 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2buk s PHE 125 Cb 0.11 -0.73 0.06 0.00 -0.57 0.00 0.00 43.02 41.89 2buk s PHE 125 CO 0.83 0.15 -0.04 0.99 -0.10 0.00 0.00 175.22 177.06 2buk s THR 126 N -2.31 1.32 -0.22 0.64 2.01 -0.42 -4.89 115.64 111.78 2buk s THR 126 Ca 0.10 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 2buk s THR 126 Cb -0.04 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2buk s THR 126 CO 0.03 -0.09 1.27 -0.63 -0.69 0.00 0.00 174.62 174.51 2buk s ILE 127 N 1.50 4.24 -0.11 1.82 -1.09 -1.26 -1.22 121.20 125.08 2buk s ILE 127 Ca -0.04 1.47 -0.18 0.00 -2.23 0.00 0.00 60.65 59.67 2buk s ILE 127 Cb -0.18 -4.07 -0.27 0.00 -1.58 0.00 0.00 42.46 36.36 2buk s ILE 127 CO -0.07 -0.27 0.59 -0.07 -1.23 0.00 0.00 174.94 173.89 2buk h LEU 128 N 10.17 0.34 -7.00 2.97 3.38 -1.16 -3.48 115.31 120.53 2buk h LEU 128 Ca -0.26 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 56.85 2buk h LEU 128 Cb 1.10 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 2buk h LEU 128 CO 1.00 1.55 0.10 -0.75 0.09 0.00 0.00 178.44 180.42 2buk s LYS 129 N -2.45 0.78 -0.33 1.13 2.47 -0.98 -5.01 119.74 115.36 2buk s LYS 129 Ca -0.20 1.07 0.02 0.00 -1.56 0.00 0.00 55.97 55.30 2buk s LYS 129 Cb 0.04 0.31 0.10 0.00 -1.46 0.00 0.00 37.83 36.81 2buk s LYS 129 CO 0.76 -0.12 0.07 0.34 0.16 0.00 0.00 175.35 176.56 2buk s ASP 130 N 0.82 4.47 -0.13 1.43 3.68 -1.26 0.00 116.67 125.70 2buk s ASP 130 Ca -0.03 -1.95 -0.01 0.00 2.13 0.00 0.00 52.55 52.69 2buk s ASP 130 Cb -0.05 -1.32 -0.02 0.00 -1.45 0.00 0.00 42.92 40.08 2buk s ASP 130 CO -0.07 -0.39 -0.10 -0.69 0.13 0.00 0.00 175.17 174.05 2buk s VAL 131 N 1.19 3.34 -0.14 1.11 1.01 0.79 -4.98 120.40 122.73 2buk s VAL 131 Ca 0.10 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2buk s VAL 131 Cb -0.18 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2buk s VAL 131 CO -0.15 0.53 -0.22 -0.89 0.00 0.00 0.00 175.10 174.37 2buk s THR 132 N 0.18 2.05 -0.16 3.92 2.01 -1.26 0.39 115.64 122.78 2buk s THR 132 Ca -0.06 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2buk s THR 132 Cb -0.15 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.57 2buk s THR 132 CO 0.04 0.55 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.56 2buk s LEU 133 N 0.78 2.10 -0.45 4.42 1.43 0.84 -4.99 118.68 122.80 2buk s LEU 133 Ca -0.08 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 2buk s LEU 133 Cb -0.16 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.70 2buk s LEU 133 CO -0.01 0.03 0.33 0.20 0.23 0.00 0.00 176.35 177.13 2buk s ASN 134 N 1.10 5.85 -0.22 2.29 0.02 -1.26 -0.96 114.94 121.76 2buk s ASN 134 Ca 0.00 -1.49 -0.18 0.00 -1.02 0.00 0.00 52.86 50.17 2buk s ASN 134 Cb -0.14 -2.07 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 2buk s ASN 134 CO -0.08 -0.61 0.52 0.00 0.02 0.00 0.00 177.10 176.95 2buk s SER 136 N 1.31 3.89 0.00 0.00 0.15 -0.46 -1.16 113.70 117.42 2buk s SER 136 Ca 0.23 -0.31 0.18 0.00 0.70 0.00 0.00 55.95 56.75 2buk s SER 136 Cb -0.15 -0.72 0.62 0.00 -1.71 0.00 0.00 66.02 64.05 2buk s SER 136 CO 0.09 0.30 1.47 0.18 1.20 0.00 0.00 173.24 176.48 2buk n LEU 137 N 1.94 1.83 0.00 3.45 4.77 -1.26 -1.91 117.00 125.82 2buk n LEU 137 Ca -0.16 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2buk n LEU 137 Cb 0.52 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2buk n LEU 137 CO 0.26 0.41 0.14 0.35 -1.33 0.00 0.00 177.39 177.21 2buk n THR 138 N 0.45 0.00 0.00 -5.08 -2.24 -1.26 -5.01 114.28 101.14 2buk n THR 138 Ca 0.15 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2buk n THR 138 Cb 0.34 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2buk n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2buk n GLY 139 N 0.28 4.12 3.55 3.38 0.00 -1.22 -5.08 105.19 110.22 2buk n GLY 139 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2buk n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buk s GLU 140 N 3.81 3.44 0.04 1.61 0.41 -1.25 -4.85 118.70 121.91 2buk s GLU 140 Ca 0.00 -0.01 0.25 0.00 -0.41 0.00 0.00 54.97 54.80 2buk s GLU 140 Cb 0.00 -4.00 0.48 0.00 -1.78 0.00 0.00 34.13 28.83 2buk s GLU 140 CO 0.00 -1.41 1.40 -1.13 -0.49 0.00 0.00 175.26 173.63 2buk n SER 141 N 7.50 0.54 -4.03 -0.19 3.41 -0.80 -1.36 113.62 118.69 2buk n SER 141 Ca 0.05 -0.09 -0.27 0.00 -0.26 0.00 0.00 58.87 58.30 2buk n SER 141 Cb 0.48 0.20 -0.17 0.00 -0.26 0.00 0.00 64.21 64.47 2buk n SER 141 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2buk s ILE 142 N -3.06 1.36 0.01 -1.33 1.01 -1.26 -1.28 121.20 116.64 2buk s ILE 142 Ca 0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2buk s ILE 142 Cb 0.16 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2buk s ILE 142 CO 0.70 0.41 -0.00 -0.54 0.00 0.00 0.00 174.94 175.51 2buk s LYS 143 N 1.01 0.17 0.22 2.79 1.02 -0.88 -5.02 119.74 119.04 2buk s LYS 143 Ca -0.07 -0.29 -0.06 0.00 0.02 0.00 0.00 55.97 55.57 2buk s LYS 143 Cb -0.15 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 2buk s LYS 143 CO -0.01 -0.03 0.26 0.16 -0.92 0.00 0.00 175.35 174.81 2buk s ASP 144 N -0.74 0.06 -0.28 2.83 -4.77 -1.26 -0.95 116.67 111.56 2buk s ASP 144 Ca -0.08 -1.20 -0.20 0.00 -3.30 0.00 0.00 52.55 47.77 2buk s ASP 144 Cb -0.05 0.46 0.09 0.00 -1.09 0.00 0.00 42.92 42.32 2buk s ASP 144 CO -0.00 -0.95 0.76 -0.60 0.70 0.00 0.00 175.17 175.08 2buk s ARG 145 N -4.10 0.69 -0.11 2.11 6.06 0.13 -4.99 118.95 118.74 2buk s ARG 145 Ca 0.32 1.04 0.02 0.00 -2.50 0.00 0.00 55.73 54.60 2buk s ARG 145 Cb 0.04 0.23 -0.01 0.00 0.06 0.00 0.00 34.95 35.26 2buk s ARG 145 CO 0.10 -0.12 -0.16 0.42 -2.50 0.00 0.00 175.30 173.04 2buk s ILE 146 N 1.09 2.77 -0.06 4.11 1.01 -1.26 -1.28 121.20 127.59 2buk s ILE 146 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2buk s ILE 146 Cb -0.05 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2buk s ILE 146 CO -0.12 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 174.66 2buk s ILE 147 N 0.18 0.83 -0.12 2.92 1.09 0.03 -5.00 121.20 121.12 2buk s ILE 147 Ca -0.09 -0.28 0.03 0.00 -1.10 0.00 0.00 60.65 59.21 2buk s ILE 147 Cb -0.16 -0.81 0.00 0.00 -1.06 0.00 0.00 42.46 40.44 2buk s ILE 147 CO 0.06 0.30 -0.23 0.21 -0.10 0.00 0.00 174.94 175.17 2buk s ASN 148 N 0.92 3.13 0.00 3.58 2.47 -1.26 -0.62 114.94 123.15 2buk s ASN 148 Ca -0.11 -0.58 -0.02 0.00 0.42 0.00 0.00 52.86 52.58 2buk s ASN 148 Cb -0.15 -1.43 -0.01 0.00 -1.45 0.00 0.00 41.25 38.21 2buk s ASN 148 CO 0.01 0.12 0.03 -0.76 -3.72 0.00 0.00 177.10 172.77 2buk s LEU 149 N 0.59 1.95 0.72 3.21 1.43 -0.22 -5.01 118.68 121.34 2buk s LEU 149 Ca -0.12 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 2buk s LEU 149 Cb -0.17 0.22 0.03 0.00 0.03 0.00 0.00 46.19 46.30 2buk s LEU 149 CO 0.03 -0.19 1.24 -2.16 0.23 0.00 0.00 176.35 175.50 2buk s PRO 150 N -0.80 2.17 0.21 1.29 0.05 -1.26 -0.98 135.00 135.67 2buk s PRO 150 Ca -0.09 1.88 0.01 0.00 0.05 0.00 0.00 61.00 62.86 2buk s PRO 150 Cb -0.05 -1.82 0.01 0.00 0.05 0.00 0.00 34.50 32.69 2buk s PRO 150 CO -0.00 -1.84 0.12 0.41 0.05 0.00 0.00 177.00 175.74 2buk n GLY 151 N 0.62 3.16 0.48 0.56 0.00 -1.01 -4.75 105.19 104.25 2buk n GLY 151 Ca 0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 2buk n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2buk n GLN 152 N -0.88 0.07 -2.49 1.61 6.02 -0.97 -4.78 117.38 115.96 2buk n GLN 152 Ca -0.03 -0.50 -0.41 0.00 -0.01 0.00 0.00 57.00 56.06 2buk n GLN 152 Cb 0.24 0.41 -0.04 0.00 1.02 0.00 0.00 30.24 31.87 2buk n GLN 152 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2buk s LEU 153 N 0.00 4.53 -0.11 1.08 2.96 -1.26 -1.33 118.68 124.56 2buk s LEU 153 Ca 0.06 2.20 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 2buk s LEU 153 Cb 0.00 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.09 2buk s LEU 153 CO 0.04 -0.17 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.10 2buk s VAL 154 N -0.79 1.28 -0.01 1.68 1.01 0.10 -4.50 120.40 119.16 2buk s VAL 154 Ca 0.46 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2buk s VAL 154 Cb -0.31 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2buk s VAL 154 CO 0.38 0.40 0.04 0.20 0.00 0.00 0.00 175.10 176.12 2buk s ASN 155 N 1.23 5.40 0.21 3.32 0.01 -0.67 -1.84 114.94 122.61 2buk s ASN 155 Ca -0.03 0.08 0.10 0.00 -0.71 0.00 0.00 52.86 52.31 2buk s ASN 155 Cb -0.14 -1.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.99 2buk s ASN 155 CO -0.04 0.29 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.32 2buk s TYR 156 N -1.12 2.11 -0.24 2.20 1.51 0.15 -2.13 117.35 119.84 2buk s TYR 156 Ca 0.21 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2buk s TYR 156 Cb -0.12 -1.00 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2buk s TYR 156 CO 0.11 0.51 0.72 0.09 -1.11 0.00 0.00 175.55 175.87 2buk n ASN 157 N -0.06 1.50 -3.49 2.29 3.02 0.21 -4.83 115.26 113.90 2buk n ASN 157 Ca -0.10 -1.38 -0.09 0.00 -0.03 0.00 0.00 54.58 52.98 2buk n ASN 157 Cb 0.58 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 2buk n ASN 157 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2buk s GLY 158 N -0.44 0.28 -0.01 7.41 0.00 -1.24 -4.74 107.32 108.57 2buk s GLY 158 Ca 0.03 -0.64 0.19 0.00 0.00 0.00 0.00 44.72 44.30 2buk s GLY 158 CO 0.03 -0.31 0.62 0.00 0.00 0.00 0.00 173.10 173.43 2buk n ALA 159 N -0.48 3.60 -2.42 3.20 0.00 -1.26 -4.87 120.51 118.28 2buk n ALA 159 Ca -0.05 -0.50 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 2buk n ALA 159 Cb 0.60 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 2buk n ALA 159 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2buk s THR 160 N -3.06 2.05 -1.37 0.00 -4.23 -1.26 -2.08 115.64 105.69 2buk s THR 160 Ca 0.00 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.80 2buk s THR 160 Cb 0.13 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.42 2buk s THR 160 CO 0.79 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 177.01 2buk n ALA 161 N -1.45 5.79 -2.29 3.99 0.00 -1.26 -4.60 120.51 120.69 2buk n ALA 161 Ca -0.02 -4.08 -0.16 0.00 0.00 0.00 0.00 53.44 49.18 2buk n ALA 161 Cb 0.64 -3.17 -0.10 0.00 0.00 0.00 0.00 19.45 16.82 2buk n ALA 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2buk s VAL 162 N 1.25 1.19 0.44 0.00 -7.23 -1.26 -5.01 120.40 109.78 2buk s VAL 162 Ca 0.46 -2.07 0.10 0.00 -1.81 0.00 0.00 61.98 58.67 2buk s VAL 162 Cb 0.13 -2.05 0.27 0.00 0.56 0.00 0.00 36.38 35.30 2buk s VAL 162 CO -0.04 -0.58 2.07 0.00 -0.31 0.00 0.00 175.10 176.24 2buk h ALA 163 N 2.64 1.82 0.00 1.32 0.00 -1.91 -1.82 119.26 121.31 2buk h ALA 163 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2buk h ALA 163 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2buk h ALA 163 CO 0.64 0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.04 2buk n ALA 164 N -2.50 1.54 0.83 0.00 0.00 -1.26 -2.01 120.51 117.12 2buk n ALA 164 Ca 0.02 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2buk n ALA 164 Cb 0.10 -1.25 0.20 0.00 0.00 0.00 0.00 19.45 18.51 2buk n ALA 164 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2buk n SER 165 N -1.74 0.57 -4.77 0.00 7.64 -0.68 -4.24 113.62 110.40 2buk n SER 165 Ca 0.02 -0.14 -0.40 0.00 1.01 0.00 0.00 58.87 59.37 2buk n SER 165 Cb 0.16 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 2buk n SER 165 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2buk s ASN 166 N -3.45 6.90 0.35 6.43 0.01 -0.92 -0.62 114.94 123.65 2buk s ASN 166 Ca 0.09 2.45 0.06 0.00 -0.71 0.00 0.00 52.86 54.75 2buk s ASN 166 Cb 0.16 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2buk s ASN 166 CO 0.72 -0.42 0.23 -0.83 -1.51 0.00 0.00 177.10 175.29 2buk s GLY 167 N -0.78 2.40 -0.06 0.66 0.00 -0.91 -2.44 107.32 106.20 2buk s GLY 167 Ca 0.49 -1.81 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2buk s GLY 167 CO 0.45 -1.57 2.07 -1.05 0.00 0.00 0.00 173.10 172.99 2buk n PRO 168 N -0.70 2.52 0.00 2.90 -0.01 -1.14 -0.90 135.00 137.68 2buk n PRO 168 Ca 0.03 0.86 0.00 0.00 -0.01 0.00 0.00 63.50 64.38 2buk n PRO 168 Cb 0.63 -3.08 0.00 0.00 -0.01 0.00 0.00 33.50 31.04 2buk n PRO 168 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2buk n GLY 169 N 5.00 0.92 3.73 -1.23 0.00 0.20 -1.67 105.19 112.14 2buk n GLY 169 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2buk n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2buk n ALA 170 N -0.51 1.83 -2.83 4.61 0.00 -0.07 -4.67 120.51 118.86 2buk n ALA 170 Ca 0.00 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 2buk n ALA 170 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.01 2buk n ALA 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2buk s ILE 171 N -0.76 4.62 0.28 0.00 -1.09 -1.26 -0.77 121.20 122.22 2buk s ILE 171 Ca 0.58 -0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.92 2buk s ILE 171 Cb -0.54 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2buk s ILE 171 CO 0.59 0.49 0.14 -0.36 -1.23 0.00 0.00 174.94 174.56 2buk s PHE 172 N 0.20 1.53 -0.11 3.97 0.40 0.12 -2.56 117.98 121.53 2buk s PHE 172 Ca 0.03 -1.33 -0.05 0.00 -0.60 0.00 0.00 56.93 54.98 2buk s PHE 172 Cb -0.13 -0.83 0.06 0.00 0.51 0.00 0.00 43.02 42.63 2buk s PHE 172 CO 0.01 -0.50 0.25 1.41 0.70 0.00 0.00 175.22 177.09 2buk s MET 173 N -3.91 0.16 -0.21 0.44 1.75 -0.65 -1.25 119.30 115.63 2buk s MET 173 Ca 0.37 0.64 -0.10 0.00 -1.25 0.00 0.00 55.69 55.35 2buk s MET 173 Cb 0.06 -0.09 -0.05 0.00 2.84 0.00 0.00 34.83 37.59 2buk s MET 173 CO 0.16 -0.24 0.12 -1.17 -0.65 0.00 0.00 175.02 173.25 2buk s LEU 174 N 1.94 4.10 -0.14 4.11 0.20 0.37 -0.07 118.68 129.20 2buk s LEU 174 Ca -0.03 0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.98 2buk s LEU 174 Cb -0.11 -2.07 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 2buk s LEU 174 CO -0.08 0.15 -0.21 -1.58 -0.29 0.00 0.00 176.35 174.34 2buk s GLN 175 N 0.54 2.88 -0.11 1.98 -0.44 -0.22 -0.56 119.66 123.73 2buk s GLN 175 Ca 0.07 -0.80 -0.10 0.00 -2.50 0.00 0.00 55.36 52.03 2buk s GLN 175 Cb -0.12 -2.36 0.03 0.00 -1.64 0.00 0.00 33.01 28.92 2buk s GLN 175 CO -0.00 -0.05 0.29 -1.50 0.50 0.00 0.00 175.29 174.53 2buk s ILE 176 N 0.91 -0.00 0.00 -2.34 2.07 -0.84 -1.53 121.20 119.46 2buk s ILE 176 Ca -0.05 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2buk s ILE 176 Cb -0.15 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.03 2buk s ILE 176 CO -0.03 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 2buk n GLY 177 N 2.96 4.50 0.04 1.50 0.00 0.89 -0.89 105.19 114.19 2buk n GLY 177 Ca -0.13 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.39 2buk n GLY 177 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2buk n ASP 178 N -1.70 2.13 -3.81 1.61 3.85 -1.21 -4.10 116.55 113.32 2buk n ASP 178 Ca 0.00 -2.56 -0.10 0.00 -0.71 0.00 0.00 54.79 51.43 2buk n ASP 178 Cb 0.00 -0.23 -0.06 0.00 -1.35 0.00 0.00 41.12 39.49 2buk n ASP 178 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 2buk s SER 179 N -1.97 -0.08 -0.02 -1.12 0.15 -1.26 -4.97 113.70 104.43 2buk s SER 179 Ca 0.17 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.25 2buk s SER 179 Cb 0.15 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 64.98 2buk s SER 179 CO 0.02 -0.89 1.04 0.18 1.20 0.00 0.00 173.24 174.79 2buk n LEU 180 N -0.22 2.12 -0.03 3.45 4.77 -1.26 -3.67 117.00 122.17 2buk n LEU 180 Ca -0.12 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 2buk n LEU 180 Cb 0.63 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2buk n LEU 180 CO 0.20 0.55 -0.74 0.52 -1.33 0.00 0.00 177.39 176.60 2buk n VAL 181 N -0.61 0.35 -1.43 4.08 0.31 -1.26 -4.44 118.33 115.33 2buk n VAL 181 Ca 0.03 -0.35 -0.31 0.00 -0.01 0.00 0.00 64.34 63.70 2buk n VAL 181 Cb 0.33 -0.22 0.07 0.00 -0.91 0.00 0.00 33.84 33.11 2buk n VAL 181 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2buk s GLY 182 N -3.79 1.68 -0.01 2.92 0.00 -1.26 -4.68 107.32 102.19 2buk s GLY 182 Ca -0.05 0.18 0.06 0.00 0.00 0.00 0.00 44.72 44.92 2buk s GLY 182 CO 0.46 0.51 -0.19 1.08 0.00 0.00 0.00 173.10 174.95 2buk s LEU 183 N -5.70 2.48 0.04 0.66 1.43 -0.70 -1.37 118.68 115.52 2buk s LEU 183 Ca 0.60 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2buk s LEU 183 Cb -0.16 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2buk s LEU 183 CO 0.55 0.31 -0.13 -1.66 0.23 0.00 0.00 176.35 175.65 2buk s TRP 184 N -0.76 1.14 0.17 0.29 1.48 0.56 -0.08 118.94 121.75 2buk s TRP 184 Ca 0.12 -0.38 0.08 0.00 -1.06 0.00 0.00 56.10 54.87 2buk s TRP 184 Cb -0.10 -0.67 -0.04 0.00 -1.16 0.00 0.00 33.47 31.49 2buk s TRP 184 CO 0.02 0.03 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.25 2buk s ASP 185 N -1.26 2.68 0.02 -2.66 1.01 0.31 -1.66 116.67 115.10 2buk s ASP 185 Ca -0.00 -0.89 -0.24 0.00 0.71 0.00 0.00 52.55 52.13 2buk s ASP 185 Cb -0.08 -0.16 0.05 0.00 1.01 0.00 0.00 42.92 43.74 2buk s ASP 185 CO 0.01 -0.06 0.54 -0.94 0.21 0.00 0.00 175.17 174.93 2buk s SER 186 N -2.79 -0.47 0.00 0.27 1.04 -0.16 -1.01 113.70 110.59 2buk s SER 186 Ca 0.17 0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.82 2buk s SER 186 Cb -0.05 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2buk s SER 186 CO 0.07 -0.67 0.13 -0.94 0.98 0.00 0.00 173.24 172.81 2buk s SER 187 N -1.73 0.03 -0.02 7.02 1.04 -0.64 0.43 113.70 119.82 2buk s SER 187 Ca -0.07 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.06 2buk s SER 187 Cb -0.01 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.32 2buk s SER 187 CO 0.01 -0.36 0.19 -0.47 0.98 0.00 0.00 173.24 173.60 2buk s TYR 188 N -1.34 -0.07 -0.05 5.02 5.04 0.12 -1.24 117.35 124.82 2buk s TYR 188 Ca -0.14 0.12 -0.04 0.00 -2.44 0.00 0.00 57.07 54.56 2buk s TYR 188 Cb -0.08 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.26 2buk s TYR 188 CO 0.01 -0.26 0.14 -2.00 -1.34 0.00 0.00 175.55 172.10 2buk s GLU 189 N -0.99 0.15 -0.03 4.97 2.12 -0.56 -1.32 118.70 123.03 2buk s GLU 189 Ca -0.11 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.45 2buk s GLU 189 Cb -0.06 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.39 2buk s GLU 189 CO 0.02 -0.04 -0.04 0.00 -0.54 0.00 0.00 175.26 174.66 2buk s ALA 190 N 0.24 0.56 -0.22 6.30 0.00 -0.31 -0.71 121.76 127.63 2buk s ALA 190 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 2buk s ALA 190 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2buk s ALA 190 CO -0.01 -0.00 -0.02 0.08 0.00 0.00 0.00 175.76 175.81 2buk s VAL 191 N 0.79 3.60 0.06 0.00 1.01 -0.10 -1.44 120.40 124.33 2buk s VAL 191 Ca -0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2buk s VAL 191 Cb -0.13 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2buk s VAL 191 CO -0.00 0.41 0.13 -0.72 0.00 0.00 0.00 175.10 174.92 2buk s TYR 192 N 1.41 0.21 0.20 5.22 1.13 -0.67 0.14 117.35 125.00 2buk s TYR 192 Ca 0.05 -0.60 0.04 0.00 -1.41 0.00 0.00 57.07 55.15 2buk s TYR 192 Cb -0.14 -0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.55 2buk s TYR 192 CO -0.01 -0.45 0.33 0.95 -2.51 0.00 0.00 175.55 173.86 2buk s THR 193 N -3.34 5.29 -0.33 -3.49 -4.23 0.77 -0.64 115.64 109.68 2buk s THR 193 Ca 0.01 -0.86 0.16 0.00 -1.18 0.00 0.00 61.69 59.82 2buk s THR 193 Cb 0.03 -3.81 0.45 0.00 1.34 0.00 0.00 72.50 70.50 2buk s THR 193 CO -0.08 -0.23 1.15 -0.67 -0.54 0.00 0.00 174.62 174.25 2buk n ASP 194 N -1.05 0.29 -0.54 3.99 4.64 -1.26 -1.77 116.55 120.86 2buk n ASP 194 Ca -0.08 -2.46 0.14 0.00 -1.38 0.00 0.00 54.79 51.01 2buk n ASP 194 Cb 0.56 0.01 0.47 0.00 -1.04 0.00 0.00 41.12 41.12 2buk n ASP 194 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38