#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rua s VAL 2 N 0.00 3.88 -0.19 2.53 1.01 -1.26 -5.00 120.40 121.37 1rua s VAL 2 Ca 0.00 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 1rua s VAL 2 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1rua s VAL 2 CO 0.00 0.20 0.22 -0.69 0.00 0.00 0.00 175.10 174.83 1rua s VAL 3 N 0.30 5.34 -0.30 2.92 1.01 -1.26 -4.81 120.40 123.61 1rua s VAL 3 Ca 0.54 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 1rua s VAL 3 Cb -0.30 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1rua s VAL 3 CO 0.33 0.39 0.11 -0.04 0.00 0.00 0.00 175.10 175.89 1rua s MET 4 N 0.60 3.28 -0.23 2.72 -1.94 -1.26 -1.51 119.30 120.96 1rua s MET 4 Ca 0.12 -0.74 -0.06 0.00 -1.71 0.00 0.00 55.69 53.30 1rua s MET 4 Cb -0.12 -3.45 -0.02 0.00 2.01 0.00 0.00 34.83 33.24 1rua s MET 4 CO 0.02 -0.40 0.03 0.99 -0.01 0.00 0.00 175.02 175.65 1rua s THR 5 N 1.57 4.04 0.02 2.05 2.01 -0.00 -4.01 115.64 121.31 1rua s THR 5 Ca 0.04 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1rua s THR 5 Cb -0.17 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1rua s THR 5 CO 0.04 0.38 0.07 -1.10 -0.69 0.00 0.00 174.62 173.33 1rua s GLN 6 N 1.37 2.97 -0.08 4.92 -0.21 -1.26 -0.32 119.66 127.06 1rua s GLN 6 Ca 0.05 -0.56 -0.11 0.00 0.02 0.00 0.00 55.36 54.76 1rua s GLN 6 Cb -0.15 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.09 1rua s GLN 6 CO 0.02 0.62 0.28 -1.54 -2.12 0.00 0.00 175.29 172.55 1rua s SER 7 N -1.90 -0.25 0.85 5.90 1.04 -0.13 -4.56 113.70 114.66 1rua s SER 7 Ca 0.24 0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.95 1rua s SER 7 Cb -0.12 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.63 1rua s SER 7 CO 0.16 -0.21 1.19 -2.16 0.98 0.00 0.00 173.24 173.20 1rua s PRO 8 N -0.35 1.35 0.15 4.02 0.04 -1.26 -0.63 135.00 138.32 1rua s PRO 8 Ca -0.05 -0.37 -0.12 0.00 0.04 0.00 0.00 61.00 60.51 1rua s PRO 8 Cb -0.03 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1rua s PRO 8 CO 0.01 -1.89 1.59 -0.22 0.04 0.00 0.00 177.00 176.53 1rua h LYS 9 N -1.17 0.89 -4.05 4.56 3.64 -1.87 -3.42 116.57 115.15 1rua h LYS 9 Ca -0.44 -0.30 -0.19 0.00 -1.27 0.00 0.00 60.65 58.45 1rua h LYS 9 Cb 1.27 -0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.81 1rua h LYS 9 CO 0.48 0.95 -0.71 0.95 -2.27 0.00 0.00 179.45 178.85 1rua s THR 10 N -4.94 0.17 -0.01 1.00 -4.23 -1.26 -1.21 115.64 105.16 1rua s THR 10 Ca -0.12 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1rua s THR 10 Cb 0.12 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.66 1rua s THR 10 CO 0.83 -0.43 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.94 1rua s ILE 11 N -1.30 0.27 -0.12 2.99 2.07 0.23 -4.91 121.20 120.43 1rua s ILE 11 Ca -0.13 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1rua s ILE 11 Cb -0.09 -0.25 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 1rua s ILE 11 CO -0.01 0.09 -0.14 -0.55 -1.91 0.00 0.00 174.94 172.42 1rua s SER 12 N 0.05 3.96 -0.03 4.50 0.15 -1.26 -0.93 113.70 120.14 1rua s SER 12 Ca -0.00 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 1rua s SER 12 Cb -0.03 -1.55 0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1rua s SER 12 CO -0.00 0.18 0.07 -0.69 1.20 0.00 0.00 173.24 173.99 1rua s VAL 13 N 0.27 -0.01 0.29 4.45 1.01 -0.20 -4.81 120.40 121.41 1rua s VAL 13 Ca -0.10 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1rua s VAL 13 Cb -0.16 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1rua s VAL 13 CO 0.06 0.01 0.98 -0.89 0.00 0.00 0.00 175.10 175.26 1rua s THR 14 N 0.16 3.97 0.27 3.92 2.01 -1.26 -1.09 115.64 123.62 1rua s THR 14 Ca -0.01 1.82 -0.30 0.00 0.31 0.00 0.00 61.69 63.51 1rua s THR 14 Cb -0.02 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.27 1rua s THR 14 CO -0.00 0.32 1.53 -0.38 -0.69 0.00 0.00 174.62 175.39 1rua n ILE 15 N 1.00 0.98 0.00 1.82 5.41 -1.26 -1.49 119.36 125.81 1rua n ILE 15 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1rua n ILE 15 Cb 0.48 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1rua n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rua n GLY 16 N 2.20 2.53 3.91 7.39 0.00 0.57 -4.94 105.19 116.84 1rua n GLY 16 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1rua n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rua s GLN 17 N -0.66 3.31 0.61 1.61 -1.52 -0.56 -4.52 119.66 117.93 1rua s GLN 17 Ca 0.00 0.12 -0.07 0.00 -1.95 0.00 0.00 55.36 53.45 1rua s GLN 17 Cb 0.00 -2.34 0.01 0.00 -0.22 0.00 0.00 33.01 30.46 1rua s GLN 17 CO 0.00 -0.39 0.95 -1.25 -0.25 0.00 0.00 175.29 174.34 1rua s PRO 18 N -4.84 2.96 -0.00 2.91 0.04 -1.22 -0.88 135.00 133.98 1rua s PRO 18 Ca 0.50 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.70 1rua s PRO 18 Cb -0.10 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 1rua s PRO 18 CO 0.45 -0.75 -0.04 0.00 0.04 0.00 0.00 177.00 176.70 1rua s ALA 19 N -3.07 0.31 -0.02 8.56 0.00 0.16 -4.91 121.76 122.79 1rua s ALA 19 Ca 0.55 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1rua s ALA 19 Cb -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1rua s ALA 19 CO 0.47 0.07 -0.04 0.45 0.00 0.00 0.00 175.76 176.71 1rua s SER 20 N -0.17 0.61 0.08 0.00 0.15 -1.26 0.25 113.70 113.36 1rua s SER 20 Ca 0.01 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.60 1rua s SER 20 Cb -0.02 -0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1rua s SER 20 CO -0.00 -0.00 -0.08 0.27 1.20 0.00 0.00 173.24 174.63 1rua s ILE 21 N 0.36 0.72 0.15 6.45 -4.36 -0.33 -4.83 121.20 119.36 1rua s ILE 21 Ca -0.04 -1.56 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 1rua s ILE 21 Cb -0.07 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 1rua s ILE 21 CO -0.00 -0.62 -0.15 -0.94 0.24 0.00 0.00 174.94 173.47 1rua s SER 22 N -2.38 2.22 -0.07 4.36 1.04 0.20 -0.64 113.70 118.44 1rua s SER 22 Ca 0.03 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1rua s SER 22 Cb -0.02 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.03 1rua s SER 22 CO -0.02 -0.14 -0.04 0.00 0.98 0.00 0.00 173.24 174.02 1rua s LYS 24 N 1.43 3.13 0.09 0.00 1.02 0.56 -0.38 119.74 125.58 1rua s LYS 24 Ca -0.02 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 1rua s LYS 24 Cb -0.13 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1rua s LYS 24 CO -0.03 0.05 0.27 -1.54 -0.92 0.00 0.00 175.35 173.18 1rua s SER 25 N 0.69 6.41 0.25 2.83 1.04 -0.11 -0.82 113.70 123.99 1rua s SER 25 Ca -0.09 0.39 0.25 0.00 0.48 0.00 0.00 55.95 56.98 1rua s SER 25 Cb -0.16 -2.01 0.90 0.00 0.10 0.00 0.00 66.02 64.85 1rua s SER 25 CO 0.01 0.13 1.75 -1.54 0.98 0.00 0.00 173.24 174.57 1rua n SER 26 N 0.24 0.79 -4.07 7.02 3.41 -0.57 -4.78 113.62 115.67 1rua n SER 26 Ca -0.04 0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1rua n SER 26 Cb 0.51 -0.82 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 1rua n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1rua s GLN 27 N -3.22 0.54 0.00 4.33 -0.21 -1.26 -4.97 119.66 114.87 1rua s GLN 27 Ca 0.07 -0.85 0.00 0.00 0.02 0.00 0.00 55.36 54.61 1rua s GLN 27 Cb 0.11 -0.17 0.00 0.00 1.00 0.00 0.00 33.01 33.94 1rua s GLN 27 CO 0.50 0.01 0.00 0.54 -2.12 0.00 0.00 175.29 174.23 1rua n ARG 27 N 1.17 -0.23 -1.39 2.91 1.74 -1.26 -4.71 116.66 114.89 1rua n ARG 27 Ca -0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1rua n ARG 27 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1rua n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1rua n LEU 27 N 0.00 -1.22 0.00 0.55 7.94 -1.26 -4.96 117.00 118.04 1rua n LEU 27 Ca 0.00 1.79 -0.13 0.00 -1.11 0.00 0.00 56.01 56.57 1rua n LEU 27 Cb 0.00 -2.52 0.01 0.00 0.53 0.00 0.00 43.42 41.44 1rua n LEU 27 CO 0.00 0.11 0.07 -0.46 -1.11 0.00 0.00 177.39 176.00 1rua n ASN 27 N -1.25 1.71 0.00 1.96 6.94 0.66 -4.99 115.26 120.30 1rua n ASN 27 Ca 0.00 -1.94 0.15 0.00 -0.02 0.00 0.00 54.58 52.77 1rua n ASN 27 Cb 0.06 -0.07 0.74 0.00 -2.36 0.00 0.00 39.78 38.15 1rua n ASN 27 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1rua n SER 27 N -2.09 0.00 -0.83 0.53 7.64 -1.26 -2.93 113.62 114.68 1rua n SER 27 Ca 0.01 -0.10 0.07 0.00 1.01 0.00 0.00 58.87 59.86 1rua n SER 27 Cb 0.32 -0.30 0.21 0.00 -1.01 0.00 0.00 64.21 63.43 1rua n SER 27 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rua n ASN 28 N -1.30 3.42 0.00 6.43 5.03 -1.26 -4.98 115.26 122.61 1rua n ASN 28 Ca 0.14 -2.34 0.00 0.00 0.87 0.00 0.00 54.58 53.24 1rua n ASN 28 Cb 0.24 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 1rua n ASN 28 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rua n GLY 29 N 0.31 0.77 3.89 7.41 0.00 -1.15 -5.05 105.19 111.36 1rua n GLY 29 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1rua n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rua s LYS 30 N -0.47 3.40 -0.31 1.61 1.02 -1.26 -4.82 119.74 118.90 1rua s LYS 30 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 1rua s LYS 30 Cb 0.00 -3.08 0.06 0.00 -0.52 0.00 0.00 37.83 34.29 1rua s LYS 30 CO 0.00 0.69 0.01 0.99 -0.92 0.00 0.00 175.35 176.12 1rua s THR 31 N -1.27 2.88 -1.29 2.17 2.01 -1.26 -0.25 115.64 118.64 1rua s THR 31 Ca 0.25 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.54 1rua s THR 31 Cb -0.12 -2.72 0.09 0.00 0.01 0.00 0.00 72.50 69.75 1rua s THR 31 CO 0.16 -0.19 1.69 0.49 -0.69 0.00 0.00 174.62 176.08 1rua n PHE 32 N 4.58 4.69 -3.93 4.92 3.72 -1.26 -3.00 117.46 127.18 1rua n PHE 32 Ca -0.11 -2.95 -0.28 0.00 -0.05 0.00 0.00 57.45 54.05 1rua n PHE 32 Cb 0.43 -2.54 -0.17 0.00 -0.94 0.00 0.00 39.48 36.26 1rua n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1rua s LEU 33 N 3.59 1.57 0.20 4.37 1.98 -1.26 -1.14 118.68 127.99 1rua s LEU 33 Ca 0.51 -0.55 0.09 0.00 -2.89 0.00 0.00 54.13 51.30 1rua s LEU 33 Cb 0.03 -0.98 -0.04 0.00 0.66 0.00 0.00 46.19 45.86 1rua s LEU 33 CO 0.06 -0.14 -0.08 0.20 -1.89 0.00 0.00 176.35 174.50 1rua s ASN 34 N 1.60 4.26 -0.02 3.68 -0.87 -0.04 -1.00 114.94 122.55 1rua s ASN 34 Ca 0.03 -0.62 0.08 0.00 -1.57 0.00 0.00 52.86 50.77 1rua s ASN 34 Cb -0.14 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.25 40.36 1rua s ASN 34 CO -0.08 0.08 -0.26 0.26 -2.57 0.00 0.00 177.10 174.53 1rua s TRP 35 N -1.88 2.32 0.05 2.20 0.52 -0.79 -0.90 118.94 120.47 1rua s TRP 35 Ca 0.26 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.99 1rua s TRP 35 Cb -0.08 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1rua s TRP 35 CO 0.16 -0.04 -0.11 -0.51 0.02 0.00 0.00 176.95 176.47 1rua s LEU 36 N -0.62 2.25 -0.09 2.99 1.02 -0.27 -1.62 118.68 122.35 1rua s LEU 36 Ca 0.10 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.72 1rua s LEU 36 Cb -0.10 -0.38 -0.01 0.00 0.02 0.00 0.00 46.19 45.72 1rua s LEU 36 CO -0.01 -0.11 -0.20 -0.22 0.02 0.00 0.00 176.35 175.84 1rua s LEU 37 N -1.57 2.37 -0.34 1.79 2.96 -0.24 -1.03 118.68 122.61 1rua s LEU 37 Ca -0.05 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1rua s LEU 37 Cb -0.10 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.16 1rua s LEU 37 CO 0.01 0.21 0.10 -1.58 -1.32 0.00 0.00 176.35 173.78 1rua s GLN 38 N 0.05 2.52 0.57 1.98 0.74 0.80 -0.89 119.66 125.43 1rua s GLN 38 Ca -0.08 -1.28 -0.15 0.00 0.05 0.00 0.00 55.36 53.91 1rua s GLN 38 Cb -0.15 -3.43 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 1rua s GLN 38 CO 0.05 -0.71 1.01 1.03 -0.55 0.00 0.00 175.29 176.12 1rua s ARG 39 N 1.35 3.67 0.10 1.67 0.52 -1.26 -1.19 118.95 123.82 1rua s ARG 39 Ca -0.01 0.95 -0.35 0.00 -0.52 0.00 0.00 55.73 55.80 1rua s ARG 39 Cb -0.20 -2.09 -0.15 0.00 0.52 0.00 0.00 34.95 33.03 1rua s ARG 39 CO 0.01 -0.50 1.51 -2.30 0.02 0.00 0.00 175.30 174.04 1rua n PRO 40 N -2.06 1.75 -0.89 3.54 -0.02 -1.26 -0.79 135.00 135.27 1rua n PRO 40 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1rua n PRO 40 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1rua n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rua n GLY 41 N 3.17 0.58 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.22 1rua n GLY 41 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1rua n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rua s GLN 42 N -0.41 2.21 0.35 1.61 -0.21 0.03 -5.12 119.66 118.11 1rua s GLN 42 Ca 0.00 -2.01 -0.13 0.00 0.02 0.00 0.00 55.36 53.24 1rua s GLN 42 Cb 0.00 -1.89 -0.08 0.00 1.00 0.00 0.00 33.01 32.04 1rua s GLN 42 CO 0.00 -0.27 0.74 -1.54 -2.12 0.00 0.00 175.29 172.10 1rua s SER 43 N -3.97 6.66 0.55 5.90 1.04 -1.26 -4.66 113.70 117.96 1rua s SER 43 Ca 0.32 1.20 -0.20 0.00 0.48 0.00 0.00 55.95 57.75 1rua s SER 43 Cb 0.03 -2.34 -0.07 0.00 0.10 0.00 0.00 66.02 63.74 1rua s SER 43 CO 0.18 -0.28 0.92 -2.65 0.98 0.00 0.00 173.24 172.39 1rua n PRO 44 N -0.75 0.97 -4.10 4.02 -0.02 -1.26 -4.61 135.00 129.25 1rua n PRO 44 Ca 0.03 0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 1rua n PRO 44 Cb 0.53 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.82 1rua n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1rua s LYS 45 N -2.48 0.64 0.55 -0.52 1.02 -0.07 -4.94 119.74 113.94 1rua s LYS 45 Ca 0.71 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.66 1rua s LYS 45 Cb -0.45 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.32 1rua s LYS 45 CO 0.51 0.10 1.25 -0.98 -0.92 0.00 0.00 175.35 175.31 1rua s ARG 46 N -1.66 3.18 0.19 1.68 1.70 -1.26 -1.08 118.95 121.70 1rua s ARG 46 Ca -0.07 1.97 0.00 0.00 -0.47 0.00 0.00 55.73 57.16 1rua s ARG 46 Cb -0.10 -2.14 0.00 0.00 -0.57 0.00 0.00 34.95 32.14 1rua s ARG 46 CO 0.01 -1.08 0.00 1.28 -1.08 0.00 0.00 175.30 174.44 1rua n LEU 47 N -1.17 0.26 -4.25 -1.89 4.77 -0.64 -4.75 117.00 109.33 1rua n LEU 47 Ca 0.11 0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 56.16 1rua n LEU 47 Cb 0.48 0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 1rua n LEU 47 CO 0.48 -0.75 -0.52 -0.63 -1.33 0.00 0.00 177.39 174.64 1rua s ILE 48 N -1.86 1.67 0.23 -0.08 -1.09 -0.94 -0.55 121.20 118.58 1rua s ILE 48 Ca 0.00 -1.17 0.01 0.00 -2.23 0.00 0.00 60.65 57.26 1rua s ILE 48 Cb 0.00 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 1rua s ILE 48 CO 0.00 0.23 0.17 -0.72 -1.23 0.00 0.00 174.94 173.39 1rua s TYR 49 N -0.77 1.29 -1.17 3.97 1.13 -0.06 -1.89 117.35 119.86 1rua s TYR 49 Ca 0.08 -1.44 -0.04 0.00 -1.41 0.00 0.00 57.07 54.26 1rua s TYR 49 Cb -0.09 -0.59 0.03 0.00 -1.10 0.00 0.00 41.96 40.21 1rua s TYR 49 CO 0.01 -0.70 0.22 1.28 -2.51 0.00 0.00 175.55 173.86 1rua n LEU 50 N -0.35 -1.41 0.00 -3.49 4.77 -1.13 -0.76 117.00 114.63 1rua n LEU 50 Ca 0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1rua n LEU 50 Cb 0.65 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.54 1rua n LEU 50 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1rua n GLY 51 N -0.99 1.07 0.00 -0.72 0.00 -0.17 -4.30 105.19 100.08 1rua n GLY 51 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1rua n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rua n THR 52 N 0.00 0.09 -4.08 2.61 -2.24 -1.11 -4.07 114.28 105.48 1rua n THR 52 Ca 0.00 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1rua n THR 52 Cb 0.00 1.46 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 1rua n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1rua s LYS 53 N -0.09 3.25 -0.06 -0.78 2.20 0.06 -4.58 119.74 119.75 1rua s LYS 53 Ca 0.00 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 1rua s LYS 53 Cb 0.00 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1rua s LYS 53 CO 0.00 0.74 1.28 -1.17 -0.36 0.00 0.00 175.35 175.84 1rua s LEU 54 N -1.01 4.28 0.89 5.43 2.96 -1.26 -0.88 118.68 129.08 1rua s LEU 54 Ca 0.15 1.89 -0.12 0.00 -0.22 0.00 0.00 54.13 55.83 1rua s LEU 54 Cb -0.12 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.14 1rua s LEU 54 CO 0.04 -0.66 1.10 -0.62 -1.32 0.00 0.00 176.35 174.89 1rua s ASP 55 N 1.71 3.64 0.08 3.68 -1.08 0.29 -4.84 116.67 120.16 1rua s ASP 55 Ca 0.58 1.29 -0.31 0.00 -0.52 0.00 0.00 52.55 53.60 1rua s ASP 55 Cb -0.26 -1.96 -0.10 0.00 -1.46 0.00 0.00 42.92 39.14 1rua s ASP 55 CO 0.22 -2.51 1.89 -0.55 0.52 0.00 0.00 175.17 174.74 1rua s SER 56 N -3.68 6.44 0.00 -0.34 0.15 -1.26 -2.03 113.70 112.98 1rua s SER 56 Ca 0.63 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.99 1rua s SER 56 Cb -0.16 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1rua s SER 56 CO 0.56 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1rua n GLY 57 N 4.37 1.34 3.74 9.45 0.00 -1.26 -5.04 105.19 117.79 1rua n GLY 57 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1rua n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rua s VAL 58 N -3.23 4.05 0.38 1.61 1.01 -0.86 -5.00 120.40 118.35 1rua s VAL 58 Ca 0.00 1.75 -0.25 0.00 0.00 0.00 0.00 61.98 63.47 1rua s VAL 58 Cb 0.00 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 1rua s VAL 58 CO 0.00 0.29 0.99 -2.65 0.00 0.00 0.00 175.10 173.73 1rua n PRO 59 N 2.49 1.33 -0.03 2.72 -0.02 -1.26 -4.85 135.00 135.38 1rua n PRO 59 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1rua n PRO 59 Cb 0.47 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1rua n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1rua n ASP 60 N 0.79 0.95 0.04 2.55 5.68 -1.26 -2.83 116.55 122.47 1rua n ASP 60 Ca 0.09 -2.03 0.12 0.00 -0.50 0.00 0.00 54.79 52.48 1rua n ASP 60 Cb 0.37 -0.39 0.49 0.00 -1.14 0.00 0.00 41.12 40.44 1rua n ASP 60 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rua n ARG 61 N -0.08 0.09 -3.71 0.11 1.74 -1.26 -4.72 116.66 108.83 1rua n ARG 61 Ca 0.01 0.16 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 1rua n ARG 61 Cb 0.23 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 29.97 1rua n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1rua s PHE 62 N -3.07 3.54 -0.09 -1.55 0.08 -1.13 -1.71 117.98 114.05 1rua s PHE 62 Ca 0.10 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1rua s PHE 62 Cb 0.14 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1rua s PHE 62 CO 0.48 0.51 -0.09 0.99 -0.10 0.00 0.00 175.22 177.00 1rua s THR 63 N -0.36 1.01 -0.15 0.64 2.01 -0.46 -4.95 115.64 113.37 1rua s THR 63 Ca 0.15 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 1rua s THR 63 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1rua s THR 63 CO 0.04 0.35 0.04 -0.83 -0.69 0.00 0.00 174.62 173.53 1rua s GLY 64 N 1.33 1.90 0.25 4.40 0.00 -1.26 0.22 107.32 114.16 1rua s GLY 64 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1rua s GLY 64 CO -0.04 -0.12 0.11 -1.35 0.00 0.00 0.00 173.10 171.70 1rua s SER 65 N -0.01 0.99 0.00 1.64 1.04 -0.23 -4.42 113.70 112.71 1rua s SER 65 Ca 0.05 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1rua s SER 65 Cb -0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1rua s SER 65 CO 0.01 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1rua n GLY 66 N -0.43 1.33 3.79 7.32 0.00 -1.26 -0.68 105.19 115.25 1rua n GLY 66 Ca 0.01 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 1rua n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rua s SER 67 N 0.00 -0.10 0.94 1.61 1.04 -1.09 -4.93 113.70 111.17 1rua s SER 67 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1rua s SER 67 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1rua s SER 67 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1rua n GLY 68 N -0.55 1.23 0.00 7.32 0.00 -1.26 -2.54 105.19 109.39 1rua n GLY 68 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1rua n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rua n THR 69 N 0.00 0.00 -3.88 2.61 -2.24 -1.26 -4.38 114.28 105.12 1rua n THR 69 Ca 0.00 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 1rua n THR 69 Cb 0.00 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.13 1rua n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rua s ASP 70 N -0.67 4.55 0.11 3.42 1.01 -1.05 -0.93 116.67 123.10 1rua s ASP 70 Ca 0.00 -0.68 0.07 0.00 0.71 0.00 0.00 52.55 52.65 1rua s ASP 70 Cb 0.00 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 1rua s ASP 70 CO 0.00 -0.11 -0.17 -0.36 0.21 0.00 0.00 175.17 174.74 1rua s PHE 71 N 1.42 1.53 -0.02 4.23 0.40 0.48 -2.67 117.98 123.36 1rua s PHE 71 Ca 0.03 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1rua s PHE 71 Cb -0.16 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1rua s PHE 71 CO -0.02 0.17 -0.04 0.99 0.70 0.00 0.00 175.22 177.02 1rua s THR 72 N -1.58 0.39 -0.19 0.64 2.01 0.14 -1.36 115.64 115.69 1rua s THR 72 Ca 0.06 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 1rua s THR 72 Cb -0.08 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1rua s THR 72 CO 0.04 0.15 0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 1rua s LEU 73 N 0.36 3.89 -0.05 4.42 2.96 0.19 -1.07 118.68 129.37 1rua s LEU 73 Ca -0.04 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1rua s LEU 73 Cb -0.07 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1rua s LEU 73 CO -0.00 0.17 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.41 1rua s LYS 74 N 0.38 2.49 -0.23 1.98 3.01 0.13 -1.18 119.74 126.32 1rua s LYS 74 Ca 0.04 -0.90 -0.05 0.00 -1.01 0.00 0.00 55.97 54.05 1rua s LYS 74 Cb -0.12 -2.13 -0.02 0.00 -1.01 0.00 0.00 37.83 34.55 1rua s LYS 74 CO -0.00 0.39 -0.00 0.42 0.51 0.00 0.00 175.35 176.67 1rua s ILE 75 N -0.20 3.76 0.05 2.17 1.01 0.14 -1.35 121.20 126.79 1rua s ILE 75 Ca -0.02 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 60.01 1rua s ILE 75 Cb -0.13 -2.73 -0.17 0.00 0.01 0.00 0.00 42.46 39.44 1rua s ILE 75 CO 0.03 0.40 1.55 0.77 0.00 0.00 0.00 174.94 177.69 1rua h SER 76 N 8.03 -0.20 -3.19 3.58 4.64 -1.60 0.48 113.55 125.28 1rua h SER 76 Ca -0.39 -0.10 -0.42 0.00 -0.47 0.00 0.00 61.79 60.41 1rua h SER 76 Cb 1.17 0.05 -0.40 0.00 -0.31 0.00 0.00 62.40 62.91 1rua h SER 76 CO 0.60 -0.02 -0.75 -0.13 -0.87 0.00 0.00 176.83 175.66 1rua s ARG 77 N -5.59 0.04 0.15 4.77 0.52 -1.26 -3.46 118.95 114.12 1rua s ARG 77 Ca -0.15 0.14 -0.31 0.00 -0.52 0.00 0.00 55.73 54.89 1rua s ARG 77 Cb 0.04 -1.16 -0.09 0.00 0.52 0.00 0.00 34.95 34.26 1rua s ARG 77 CO 0.63 -0.49 1.44 0.08 0.02 0.00 0.00 175.30 176.99 1rua s VAL 78 N 2.14 3.04 0.26 3.52 1.01 -0.06 -4.77 120.40 125.54 1rua s VAL 78 Ca 0.03 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1rua s VAL 78 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1rua s VAL 78 CO -0.06 0.07 0.07 -1.61 0.00 0.00 0.00 175.10 173.57 1rua s GLU 79 N 0.87 2.53 0.41 2.72 2.02 -1.26 -0.32 118.70 125.67 1rua s GLU 79 Ca 0.65 -1.28 0.12 0.00 0.02 0.00 0.00 54.97 54.47 1rua s GLU 79 Cb -0.39 -2.31 0.86 0.00 0.10 0.00 0.00 34.13 32.38 1rua s GLU 79 CO 0.32 0.38 1.93 0.00 0.02 0.00 0.00 175.26 177.91 1rua h ALA 80 N 1.74 1.56 0.00 5.21 0.00 -1.97 -1.41 119.26 124.40 1rua h ALA 80 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1rua h ALA 80 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rua h ALA 80 CO 0.60 0.32 0.00 0.39 0.00 0.00 0.00 179.25 180.56 1rua n GLU 81 N -4.27 0.37 0.00 0.00 1.02 -1.26 -2.24 120.64 114.27 1rua n GLU 81 Ca -0.02 0.08 0.15 0.00 -0.02 0.00 0.00 57.16 57.35 1rua n GLU 81 Cb 0.28 -1.50 0.71 0.00 -0.02 0.00 0.00 31.44 30.91 1rua n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rua n ASP 82 N -1.19 0.27 -4.77 1.62 8.00 -0.53 -4.89 116.55 115.07 1rua n ASP 82 Ca 0.11 -0.52 -0.36 0.00 0.71 0.00 0.00 54.79 54.72 1rua n ASP 82 Cb 0.12 -0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1rua n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1rua s LEU 83 N -2.42 3.83 0.00 0.64 0.05 -0.95 -4.89 118.68 114.94 1rua s LEU 83 Ca 0.32 2.33 0.00 0.00 0.05 0.00 0.00 54.13 56.83 1rua s LEU 83 Cb 0.20 -4.44 0.00 0.00 -2.05 0.00 0.00 46.19 39.90 1rua s LEU 83 CO 0.45 -1.24 0.00 0.61 -0.55 0.00 0.00 176.35 175.62 1rua n GLY 84 N 0.40 0.48 3.41 -3.48 0.00 -1.12 -4.62 105.19 100.27 1rua n GLY 84 Ca 0.11 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1rua n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rua s VAL 85 N -2.88 3.64 -0.15 1.61 1.01 -0.33 -0.51 120.40 122.80 1rua s VAL 85 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1rua s VAL 85 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1rua s VAL 85 CO 0.00 0.46 0.25 -0.31 0.00 0.00 0.00 175.10 175.50 1rua s TYR 86 N 0.85 3.50 0.08 5.22 1.51 0.23 -0.14 117.35 128.60 1rua s TYR 86 Ca -0.01 0.58 0.09 0.00 -1.01 0.00 0.00 57.07 56.72 1rua s TYR 86 Cb -0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1rua s TYR 86 CO 0.01 0.36 -0.24 0.71 -1.11 0.00 0.00 175.55 175.28 1rua s TYR 87 N 0.08 2.09 0.26 2.71 2.02 -0.20 -1.07 117.35 123.24 1rua s TYR 87 Ca 0.15 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 1rua s TYR 87 Cb -0.13 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 1rua s TYR 87 CO 0.04 0.20 0.29 0.00 -1.57 0.00 0.00 175.55 174.51 1rua s TRP 89 N -2.08 -0.29 -0.06 0.00 -0.00 -0.08 -1.11 118.94 115.33 1rua s TRP 89 Ca 0.35 0.70 0.04 0.00 -0.00 0.00 0.00 56.10 57.19 1rua s TRP 89 Cb -0.08 0.09 -0.02 0.00 -0.00 0.00 0.00 33.47 33.46 1rua s TRP 89 CO 0.27 -0.15 -0.18 1.14 -0.00 0.00 0.00 176.95 178.03 1rua s GLN 90 N 0.28 2.55 -0.09 5.86 1.03 -0.35 -0.86 119.66 128.08 1rua s GLN 90 Ca -0.01 -0.77 0.13 0.00 0.04 0.00 0.00 55.36 54.74 1rua s GLN 90 Cb -0.03 -2.31 0.29 0.00 0.03 0.00 0.00 33.01 30.99 1rua s GLN 90 CO -0.01 0.52 1.21 0.41 -2.54 0.00 0.00 175.29 174.88 1rua n GLY 91 N 2.59 3.84 0.11 2.60 0.00 -0.29 -3.02 105.19 111.01 1rua n GLY 91 Ca -0.17 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1rua n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rua h THR 92 N 0.86 1.07 -3.28 2.61 2.02 -1.96 -3.46 112.91 110.77 1rua h THR 92 Ca 0.00 -2.76 -0.68 0.00 0.77 0.00 0.00 66.41 63.75 1rua h THR 92 Cb 0.96 2.68 -0.33 0.00 -1.74 0.00 0.00 68.15 69.72 1rua h THR 92 CO 0.06 0.78 -0.87 -1.00 0.37 0.00 0.00 175.52 174.87 1rua s HIS 93 N -2.61 2.62 0.32 3.16 3.76 -1.26 -5.07 115.29 116.21 1rua s HIS 93 Ca -0.09 -1.14 -0.28 0.00 -0.15 0.00 0.00 55.06 53.40 1rua s HIS 93 Cb 0.07 -1.76 -0.09 0.00 1.11 0.00 0.00 32.58 31.90 1rua s HIS 93 CO 0.84 -0.48 1.12 0.12 -0.85 0.00 0.00 174.74 175.48 1rua s PHE 94 N 0.54 3.42 0.42 1.40 5.36 -1.26 -3.51 117.98 124.34 1rua s PHE 94 Ca -0.14 1.65 -0.21 0.00 -0.96 0.00 0.00 56.93 57.27 1rua s PHE 94 Cb -0.17 -3.31 -0.11 0.00 -0.34 0.00 0.00 43.02 39.09 1rua s PHE 94 CO 0.04 -0.78 0.95 -1.25 -1.46 0.00 0.00 175.22 172.73 1rua s PRO 95 N -1.75 4.25 0.38 10.12 0.04 -1.26 -4.87 135.00 141.90 1rua s PRO 95 Ca 0.49 1.15 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1rua s PRO 95 Cb -0.31 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1rua s PRO 95 CO 0.40 -0.02 1.27 0.71 0.04 0.00 0.00 177.00 179.40 1rua s TYR 96 N -2.12 2.96 0.03 0.56 2.02 -1.23 -4.62 117.35 114.95 1rua s TYR 96 Ca 0.61 1.45 0.01 0.00 -0.37 0.00 0.00 57.07 58.77 1rua s TYR 96 Cb -0.10 -3.61 -0.02 0.00 -0.40 0.00 0.00 41.96 37.83 1rua s TYR 96 CO 0.14 -1.82 -0.04 0.95 -1.57 0.00 0.00 175.55 173.21 1rua s THR 97 N -1.25 0.26 0.06 -0.71 -4.23 -1.17 -5.00 115.64 103.60 1rua s THR 97 Ca 0.54 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.01 1rua s THR 97 Cb -0.37 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 1rua s THR 97 CO 0.48 -0.53 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.64 1rua s PHE 98 N -1.74 2.94 0.92 3.99 0.40 -1.26 -1.22 117.98 122.02 1rua s PHE 98 Ca -0.11 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.07 1rua s PHE 98 Cb -0.08 -1.56 0.14 0.00 0.51 0.00 0.00 43.02 42.03 1rua s PHE 98 CO -0.02 0.44 1.09 0.20 0.70 0.00 0.00 175.22 177.64 1rua s GLY 99 N -1.96 1.61 0.00 4.36 0.00 -0.27 -4.59 107.32 106.48 1rua s GLY 99 Ca 0.22 -0.04 0.31 0.00 0.00 0.00 0.00 44.72 45.21 1rua s GLY 99 CO 0.14 0.47 2.11 0.61 0.00 0.00 0.00 173.10 176.43 1rua n GLY 100 N -0.89 -1.10 0.00 0.20 0.00 -1.26 -4.70 105.19 97.45 1rua n GLY 100 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rua n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rua n GLY 101 N 1.15 0.49 2.93 -0.02 0.00 -1.26 -5.03 105.19 103.45 1rua n GLY 101 Ca 0.19 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 1rua n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rua s THR 102 N -2.77 1.08 -0.20 2.61 2.01 -0.23 -4.79 115.64 113.35 1rua s THR 102 Ca 0.00 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1rua s THR 102 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1rua s THR 102 CO 0.00 0.37 0.47 -0.75 -0.69 0.00 0.00 174.62 174.02 1rua s LYS 103 N 1.53 4.18 -0.24 4.92 2.20 -0.35 -0.60 119.74 131.38 1rua s LYS 103 Ca 0.02 0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.81 1rua s LYS 103 Cb -0.13 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1rua s LYS 103 CO -0.07 -0.11 0.32 -1.17 -0.36 0.00 0.00 175.35 173.96 1rua s LEU 104 N 1.53 4.09 0.06 5.43 2.96 0.34 -0.60 118.68 132.49 1rua s LEU 104 Ca 0.22 0.30 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 1rua s LEU 104 Cb -0.15 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1rua s LEU 104 CO 0.09 -0.08 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.23 1rua s GLU 105 N 1.57 1.95 -0.22 1.98 2.02 -0.11 -2.79 118.70 123.10 1rua s GLU 105 Ca 0.14 -1.05 -0.14 0.00 0.02 0.00 0.00 54.97 53.93 1rua s GLU 105 Cb -0.15 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 1rua s GLU 105 CO 0.08 0.52 0.34 0.42 0.02 0.00 0.00 175.26 176.64 1rua s ILE 106 N -0.93 5.24 0.14 -1.63 -1.09 -1.26 -1.03 121.20 120.63 1rua s ILE 106 Ca 0.14 0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 58.84 1rua s ILE 106 Cb -0.10 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 1rua s ILE 106 CO 0.05 0.27 0.90 -0.75 -1.23 0.00 0.00 174.94 174.18 1rua s LYS 107 N 1.31 4.69 0.33 2.79 2.20 -0.25 -4.82 119.74 126.01 1rua s LYS 107 Ca 0.16 1.36 -0.05 0.00 -0.36 0.00 0.00 55.97 57.08 1rua s LYS 107 Cb -0.14 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1rua s LYS 107 CO 0.07 0.36 0.49 -0.98 -0.36 0.00 0.00 175.35 174.93 1rua s ARG 108 N -0.50 1.88 0.37 4.03 1.70 -1.26 -4.41 118.95 120.77 1rua s ARG 108 Ca 0.42 -1.67 -0.27 0.00 -0.47 0.00 0.00 55.73 53.74 1rua s ARG 108 Cb -0.24 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 1rua s ARG 108 CO 0.29 -0.79 1.31 0.00 -1.08 0.00 0.00 175.30 175.04 1rua s ALA 109 N -3.13 3.38 0.63 7.88 0.00 -1.26 -4.96 121.76 124.31 1rua s ALA 109 Ca 0.29 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 1rua s ALA 109 Cb -0.01 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1rua s ALA 109 CO 0.18 -0.76 0.80 -0.25 0.00 0.00 0.00 175.76 175.74 1rua n ASP 110 N 0.44 0.03 -3.68 0.00 9.92 -1.26 -4.75 116.55 117.24 1rua n ASP 110 Ca 0.02 0.74 -0.09 0.00 -0.53 0.00 0.00 54.79 54.92 1rua n ASP 110 Cb 0.43 -1.32 -0.10 0.00 -0.64 0.00 0.00 41.12 39.49 1rua n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rua s ALA 111 N -1.65 -1.31 0.42 2.24 0.00 0.19 -4.87 121.76 116.77 1rua s ALA 111 Ca 0.73 1.81 -0.23 0.00 0.00 0.00 0.00 51.96 54.27 1rua s ALA 111 Cb -0.40 -1.09 -0.09 0.00 0.00 0.00 0.00 23.12 21.54 1rua s ALA 111 CO 0.50 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 177.01 1rua s ALA 112 N 1.49 3.04 0.54 0.00 0.00 -1.26 -0.60 121.76 124.98 1rua s ALA 112 Ca -0.10 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 1rua s ALA 112 Cb -0.07 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1rua s ALA 112 CO -0.15 -0.26 1.17 -1.25 0.00 0.00 0.00 175.76 175.27 1rua s PRO 113 N -2.63 3.31 -0.36 0.00 0.04 -1.26 -4.48 135.00 129.62 1rua s PRO 113 Ca 0.60 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 63.15 1rua s PRO 113 Cb -0.21 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1rua s PRO 113 CO 0.27 -0.91 0.70 0.99 0.04 0.00 0.00 177.00 178.08 1rua s THR 114 N -1.66 4.82 -0.15 1.26 2.01 0.03 -4.87 115.64 117.09 1rua s THR 114 Ca 0.72 0.71 -0.06 0.00 0.31 0.00 0.00 61.69 63.37 1rua s THR 114 Cb -0.27 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1rua s THR 114 CO 0.31 -0.37 0.06 -0.69 -0.69 0.00 0.00 174.62 173.24 1rua s VAL 115 N 2.88 4.82 -0.03 3.82 1.01 -1.26 -0.95 120.40 130.69 1rua s VAL 115 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1rua s VAL 115 Cb -0.14 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1rua s VAL 115 CO 0.16 0.53 -0.02 -0.44 0.00 0.00 0.00 175.10 175.33 1rua s SER 116 N -0.23 0.50 0.05 3.32 0.01 -0.50 -4.97 113.70 111.89 1rua s SER 116 Ca 0.08 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1rua s SER 116 Cb -0.12 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 1rua s SER 116 CO 0.01 -0.06 -0.23 -0.51 0.41 0.00 0.00 173.24 172.87 1rua s ILE 117 N 0.74 2.44 -0.06 1.44 2.07 -1.26 -1.05 121.20 125.51 1rua s ILE 117 Ca -0.08 -1.32 -0.00 0.00 -1.41 0.00 0.00 60.65 57.84 1rua s ILE 117 Cb -0.11 -2.00 0.03 0.00 0.13 0.00 0.00 42.46 40.51 1rua s ILE 117 CO -0.01 0.34 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.97 1rua s PHE 118 N -0.87 0.74 0.99 3.50 0.40 0.62 -5.00 117.98 118.36 1rua s PHE 118 Ca 0.13 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 1rua s PHE 118 Cb -0.10 -0.76 0.18 0.00 0.51 0.00 0.00 43.02 42.85 1rua s PHE 118 CO 0.04 -0.28 1.08 -2.14 0.70 0.00 0.00 175.22 174.62 1rua s PRO 119 N 1.51 0.51 0.46 0.24 0.02 -1.26 -2.03 135.00 134.44 1rua s PRO 119 Ca -0.02 0.79 -0.25 0.00 0.02 0.00 0.00 61.00 61.54 1rua s PRO 119 Cb -0.13 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1rua s PRO 119 CO -0.03 -2.75 1.40 -2.14 -0.33 0.00 0.00 177.00 173.15 1rua s PRO 120 N -4.82 3.64 0.52 5.54 0.02 -1.13 -4.79 135.00 133.98 1rua s PRO 120 Ca 0.65 2.35 -0.20 0.00 0.02 0.00 0.00 61.00 63.82 1rua s PRO 120 Cb -0.20 -2.61 -0.07 0.00 0.02 0.00 0.00 34.50 31.65 1rua s PRO 120 CO 0.59 -0.83 1.10 -1.54 -0.33 0.00 0.00 177.00 175.99 1rua s SER 121 N -0.62 5.95 0.29 2.53 1.04 -1.26 -4.91 113.70 116.72 1rua s SER 121 Ca 0.62 2.10 0.02 0.00 0.48 0.00 0.00 55.95 59.17 1rua s SER 121 Cb -0.42 -2.57 0.71 0.00 0.10 0.00 0.00 66.02 63.83 1rua s SER 121 CO 0.54 -1.06 1.64 0.28 0.98 0.00 0.00 173.24 175.62 1rua h SER 122 N 1.36 -0.02 -0.48 7.02 0.02 -1.99 -1.57 113.55 117.88 1rua h SER 122 Ca -0.50 0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1rua h SER 122 Cb 1.25 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 1rua h SER 122 CO 0.58 -0.17 0.04 -0.33 -1.14 0.00 0.00 176.83 175.81 1rua h GLU 123 N 0.20 0.81 -0.70 3.45 3.07 -2.01 -2.44 114.58 116.96 1rua h GLU 123 Ca 0.55 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 59.10 1rua h GLU 123 Cb 1.11 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.91 1rua h GLU 123 CO -0.67 0.84 0.15 0.37 -1.40 0.00 0.00 179.01 178.31 1rua h GLN 124 N 0.67 1.14 -0.70 2.33 4.15 -1.68 -2.64 115.11 118.38 1rua h GLN 124 Ca 0.14 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.32 1rua h GLN 124 Cb 0.44 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1rua h GLN 124 CO 0.02 1.02 0.46 -0.07 -1.93 0.00 0.00 178.83 178.32 1rua h LEU 125 N 1.08 0.70 -1.72 -2.39 3.38 -1.11 0.34 115.31 115.59 1rua h LEU 125 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1rua h LEU 125 Cb 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rua h LEU 125 CO 0.01 0.48 0.00 0.71 0.09 0.00 0.00 178.44 179.72 1rua h THR 126 N 0.81 0.00 0.00 0.22 1.35 -1.06 -0.42 112.91 113.81 1rua h THR 126 Ca 0.28 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 66.00 1rua h THR 126 Cb 0.11 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1rua h THR 126 CO -0.08 0.00 -0.11 0.77 -0.25 0.00 0.00 175.52 175.85 1rua h SER 127 N 0.00 0.00 0.00 5.36 4.64 -0.31 -3.48 113.55 119.77 1rua h SER 127 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rua h SER 127 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1rua h SER 127 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1rua n GLY 128 N 1.12 0.50 3.59 -0.77 0.00 -0.17 -5.02 105.19 104.45 1rua n GLY 128 Ca 0.04 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1rua n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rua s GLY 129 N -2.29 1.90 -0.19 -0.02 0.00 -1.22 -0.82 107.32 104.69 1rua s GLY 129 Ca 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 44.72 42.83 1rua s GLY 129 CO 0.00 -1.87 0.26 0.00 0.00 0.00 0.00 173.10 171.50 1rua s ALA 130 N -2.46 -0.51 -0.15 3.20 0.00 0.51 -3.78 121.76 118.57 1rua s ALA 130 Ca 0.32 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1rua s ALA 130 Cb -0.03 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1rua s ALA 130 CO 0.18 -1.03 -0.01 -1.12 0.00 0.00 0.00 175.76 173.78 1rua s SER 131 N 2.40 5.02 -0.22 0.00 0.01 -1.26 -0.16 113.70 119.49 1rua s SER 131 Ca 0.06 -0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.20 1rua s SER 131 Cb -0.14 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1rua s SER 131 CO -0.12 0.20 0.08 -0.69 0.41 0.00 0.00 173.24 173.13 1rua s VAL 132 N 0.18 4.63 -0.04 3.43 1.01 0.12 -2.83 120.40 126.90 1rua s VAL 132 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1rua s VAL 132 Cb -0.13 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1rua s VAL 132 CO 0.02 0.38 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 1rua s VAL 133 N 1.12 2.74 -0.08 2.92 1.01 -0.86 0.52 120.40 127.77 1rua s VAL 133 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1rua s VAL 133 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1rua s VAL 133 CO 0.04 0.59 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 1rua s PHE 135 N 1.22 3.36 -0.41 0.00 0.08 -0.22 -0.51 117.98 121.51 1rua s PHE 135 Ca -0.05 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.30 1rua s PHE 135 Cb -0.14 -1.95 0.11 0.00 -0.57 0.00 0.00 43.02 40.47 1rua s PHE 135 CO -0.02 0.46 0.16 -0.51 -0.10 0.00 0.00 175.22 175.21 1rua s LEU 136 N -0.49 4.92 -0.05 -0.37 1.02 0.43 -1.41 118.68 122.74 1rua s LEU 136 Ca 0.10 -2.29 0.00 0.00 0.02 0.00 0.00 54.13 51.97 1rua s LEU 136 Cb -0.12 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1rua s LEU 136 CO 0.02 -0.42 -0.02 0.20 0.02 0.00 0.00 176.35 176.15 1rua s ASN 137 N 1.04 5.02 -1.19 2.29 0.01 -0.12 0.56 114.94 122.55 1rua s ASN 137 Ca 0.11 0.04 -0.04 0.00 -0.71 0.00 0.00 52.86 52.27 1rua s ASN 137 Cb -0.21 -1.33 -0.02 0.00 0.41 0.00 0.00 41.25 40.10 1rua s ASN 137 CO -0.05 0.34 0.87 0.59 -1.51 0.00 0.00 177.10 177.34 1rua n ASN 138 N 1.89 -3.23 -4.75 -1.22 4.13 -0.79 -0.79 115.26 110.50 1rua n ASN 138 Ca -0.17 -0.74 -0.22 0.00 1.68 0.00 0.00 54.58 55.13 1rua n ASN 138 Cb 0.53 -4.66 -0.06 0.00 -1.54 0.00 0.00 39.78 34.05 1rua n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1rua s PHE 139 N -3.47 2.91 -0.17 3.10 -0.12 -0.61 -4.63 117.98 114.98 1rua s PHE 139 Ca 0.16 -0.18 -0.13 0.00 -0.05 0.00 0.00 56.93 56.73 1rua s PHE 139 Cb -0.03 -1.37 0.05 0.00 -0.63 0.00 0.00 43.02 41.04 1rua s PHE 139 CO 0.77 0.52 0.44 -0.47 -0.05 0.00 0.00 175.22 176.43 1rua s TYR 140 N -2.24 -0.55 1.17 3.49 5.04 0.23 -1.19 117.35 123.31 1rua s TYR 140 Ca 0.33 1.25 -0.19 0.00 -2.44 0.00 0.00 57.07 56.02 1rua s TYR 140 Cb -0.07 0.22 0.28 0.00 0.35 0.00 0.00 41.96 42.74 1rua s TYR 140 CO 0.23 -0.28 1.18 -1.25 -1.34 0.00 0.00 175.55 174.09 1rua s PRO 141 N 0.70 -0.97 0.32 4.97 0.04 -1.26 0.54 135.00 139.35 1rua s PRO 141 Ca -0.04 -0.28 0.14 0.00 0.04 0.00 0.00 61.00 60.86 1rua s PRO 141 Cb -0.05 -1.65 0.50 0.00 0.04 0.00 0.00 34.50 33.35 1rua s PRO 141 CO -0.05 -3.51 1.67 1.57 0.04 0.00 0.00 177.00 176.73 1rua h LYS 142 N -2.43 0.00 -6.39 4.56 2.10 -1.98 -3.44 116.57 108.99 1rua h LYS 142 Ca -0.43 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.68 1rua h LYS 142 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1rua h LYS 142 CO 0.30 0.51 0.86 -0.51 -2.00 0.00 0.00 179.45 178.61 1rua s ASP 143 N -6.70 6.80 0.01 7.07 1.11 -1.26 -5.00 116.67 118.71 1rua s ASP 143 Ca -0.01 2.19 -0.25 0.00 0.18 0.00 0.00 52.55 54.66 1rua s ASP 143 Cb 0.12 -2.56 0.06 0.00 1.07 0.00 0.00 42.92 41.61 1rua s ASP 143 CO 0.73 -0.75 0.57 -0.51 1.18 0.00 0.00 175.17 176.39 1rua s ILE 144 N 2.40 0.02 -0.02 0.77 2.07 -1.26 -4.71 121.20 120.47 1rua s ILE 144 Ca 0.66 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.81 1rua s ILE 144 Cb -0.33 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 1rua s ILE 144 CO 0.28 -0.08 -0.22 0.21 -1.91 0.00 0.00 174.94 173.22 1rua s ASN 145 N -1.65 2.54 -0.05 4.50 3.84 -0.75 -4.99 114.94 118.38 1rua s ASN 145 Ca -0.08 -0.39 0.06 0.00 0.21 0.00 0.00 52.86 52.66 1rua s ASN 145 Cb -0.01 -0.31 -0.01 0.00 -0.55 0.00 0.00 41.25 40.37 1rua s ASN 145 CO 0.03 0.26 -0.23 0.54 -2.79 0.00 0.00 177.10 174.91 1rua s VAL 146 N -0.47 1.86 -0.05 -5.21 0.11 -1.26 -1.10 120.40 114.28 1rua s VAL 146 Ca 0.07 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.19 1rua s VAL 146 Cb -0.09 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 1rua s VAL 146 CO -0.01 0.52 -0.15 -0.75 -3.33 0.00 0.00 175.10 171.38 1rua s LYS 147 N -0.18 1.71 -0.05 1.54 2.20 0.57 -4.97 119.74 120.55 1rua s LYS 147 Ca -0.01 -0.54 -0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1rua s LYS 147 Cb -0.12 -1.47 -0.03 0.00 -1.51 0.00 0.00 37.83 34.69 1rua s LYS 147 CO 0.03 0.19 -0.01 -1.58 -0.36 0.00 0.00 175.35 173.61 1rua s TRP 148 N 0.18 3.10 0.07 4.03 0.52 -1.26 -0.22 118.94 125.36 1rua s TRP 148 Ca -0.06 0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.26 1rua s TRP 148 Cb -0.12 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 1rua s TRP 148 CO 0.02 0.45 -0.22 0.15 0.02 0.00 0.00 176.95 177.38 1rua s LYS 149 N -1.16 1.31 -0.18 4.98 1.02 0.66 -0.85 119.74 125.51 1rua s LYS 149 Ca 0.16 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1rua s LYS 149 Cb -0.11 -1.51 0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1rua s LYS 149 CO 0.06 0.37 -0.09 0.42 -0.92 0.00 0.00 175.35 175.18 1rua s ILE 150 N -0.96 1.45 -1.34 2.17 1.01 0.16 -1.62 121.20 122.07 1rua s ILE 150 Ca 0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1rua s ILE 150 Cb -0.09 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 1rua s ILE 150 CO 0.03 0.21 0.56 0.47 0.00 0.00 0.00 174.94 176.21 1rua n ASP 151 N 4.76 -1.13 0.00 3.58 8.00 -0.34 -1.89 116.55 129.52 1rua n ASP 151 Ca -0.14 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1rua n ASP 151 Cb 0.48 -3.47 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 1rua n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rua n GLY 152 N -1.80 1.57 3.64 0.44 0.00 -1.26 -5.00 105.19 102.79 1rua n GLY 152 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1rua n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rua s SER 153 N -3.13 5.64 0.48 1.61 0.01 -0.79 -4.96 113.70 112.56 1rua s SER 153 Ca 0.00 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.13 1rua s SER 153 Cb 0.00 -1.95 -0.08 0.00 0.21 0.00 0.00 66.02 64.20 1rua s SER 153 CO 0.00 0.19 1.18 1.21 0.41 0.00 0.00 173.24 176.23 1rua n GLU 154 N 3.43 1.57 -4.38 12.44 2.13 -1.26 -0.67 120.64 133.91 1rua n GLU 154 Ca -0.17 0.57 -0.23 0.00 0.66 0.00 0.00 57.16 57.99 1rua n GLU 154 Cb 0.52 -2.32 -0.17 0.00 0.27 0.00 0.00 31.44 29.74 1rua n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1rua s ARG 155 N -2.43 1.37 0.00 5.31 6.06 -0.03 -4.81 118.95 124.42 1rua s ARG 155 Ca 0.67 -0.29 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 1rua s ARG 155 Cb -0.48 -1.22 0.00 0.00 0.06 0.00 0.00 34.95 33.31 1rua s ARG 155 CO 0.54 -0.04 0.00 0.00 -2.50 0.00 0.00 175.30 173.30 1rua n GLN 156 N 4.00 2.68 -2.50 5.12 10.64 -1.26 -4.18 117.38 131.87 1rua n GLN 156 Ca -0.23 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.58 1rua n GLN 156 Cb 0.51 -0.77 -0.03 0.00 -0.86 0.00 0.00 30.24 29.09 1rua n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1rua s ASN 157 N -1.25 6.57 0.00 2.61 0.02 -1.26 -3.34 114.94 118.29 1rua s ASN 157 Ca 0.00 2.05 0.00 0.00 -1.02 0.00 0.00 52.86 53.89 1rua s ASN 157 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.69 1rua s ASN 157 CO 0.00 -0.62 0.00 0.61 0.02 0.00 0.00 177.10 177.11 1rua n GLY 158 N 0.21 0.84 3.70 0.66 0.00 -1.26 -4.82 105.19 104.52 1rua n GLY 158 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1rua n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rua s VAL 159 N -3.29 5.22 -0.09 1.61 1.01 -1.21 -0.83 120.40 122.82 1rua s VAL 159 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1rua s VAL 159 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1rua s VAL 159 CO 0.00 0.30 -0.14 -0.76 0.00 0.00 0.00 175.10 174.50 1rua s LEU 160 N 0.93 1.68 0.12 3.92 1.43 -0.77 -4.98 118.68 121.01 1rua s LEU 160 Ca 0.20 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1rua s LEU 160 Cb -0.14 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1rua s LEU 160 CO 0.07 0.02 -0.11 0.20 0.23 0.00 0.00 176.35 176.77 1rua s ASN 161 N 0.88 4.31 0.31 2.29 0.01 -1.26 -1.37 114.94 120.11 1rua s ASN 161 Ca -0.09 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 51.61 1rua s ASN 161 Cb -0.15 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 40.72 1rua s ASN 161 CO 0.01 0.16 0.38 -0.55 -1.51 0.00 0.00 177.10 175.59 1rua s SER 162 N -2.31 0.91 0.24 -1.22 0.15 -0.19 -5.00 113.70 106.29 1rua s SER 162 Ca 0.22 -1.49 0.07 0.00 0.70 0.00 0.00 55.95 55.44 1rua s SER 162 Cb -0.11 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1rua s SER 162 CO 0.14 -1.16 -0.09 0.42 1.20 0.00 0.00 173.24 173.74 1rua s THR 164 N -3.39 1.63 0.93 6.45 -4.23 -0.29 -0.05 115.64 116.69 1rua s THR 164 Ca 0.34 -2.15 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1rua s THR 164 Cb 0.01 -2.27 0.15 0.00 1.34 0.00 0.00 72.50 71.73 1rua s THR 164 CO 0.20 -0.43 1.10 -1.81 -0.54 0.00 0.00 174.62 173.14 1rua s ASP 165 N -3.38 3.24 0.40 3.99 1.01 -1.26 -4.56 116.67 116.12 1rua s ASP 165 Ca 0.26 1.32 -0.27 0.00 0.71 0.00 0.00 52.55 54.57 1rua s ASP 165 Cb 0.02 -1.99 -0.09 0.00 1.01 0.00 0.00 42.92 41.87 1rua s ASP 165 CO 0.09 -2.76 1.39 -1.58 0.21 0.00 0.00 175.17 172.52 1rua s GLN 166 N -4.99 3.96 -0.22 8.23 0.74 -1.26 -4.67 119.66 121.45 1rua s GLN 166 Ca 0.64 2.35 -0.19 0.00 0.05 0.00 0.00 55.36 58.21 1rua s GLN 166 Cb -0.18 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 1rua s GLN 166 CO 0.57 -0.57 0.57 0.34 -0.55 0.00 0.00 175.29 175.64 1rua s ASP 167 N -0.48 6.58 0.41 6.67 -1.08 0.09 -4.95 116.67 123.90 1rua s ASP 167 Ca 0.56 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 53.43 1rua s ASP 167 Cb -0.42 -2.31 0.87 0.00 -1.46 0.00 0.00 42.92 39.59 1rua s ASP 167 CO 0.55 -0.25 1.90 0.77 0.52 0.00 0.00 175.17 178.66 1rua h SER 168 N 7.63 0.00 0.28 -0.34 4.64 -1.90 0.83 113.55 124.69 1rua h SER 168 Ca -0.31 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1rua h SER 168 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1rua h SER 168 CO 0.75 0.29 -0.21 0.07 -0.87 0.00 0.00 176.83 176.85 1rua h LYS 169 N 0.00 0.00 0.00 4.77 5.09 -1.93 -3.35 116.57 121.14 1rua h LYS 169 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1rua h LYS 169 Cb 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.85 1rua h LYS 169 CO 0.04 0.21 -0.01 -0.40 -2.09 0.00 0.00 179.45 177.20 1rua n ASP 170 N -4.08 0.00 -1.89 7.07 5.75 -1.05 -5.00 116.55 117.35 1rua n ASP 170 Ca -0.02 -1.03 -0.20 0.00 -0.01 0.00 0.00 54.79 53.53 1rua n ASP 170 Cb 0.29 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 1rua n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1rua n SER 171 N 0.00 -5.60 -4.98 -1.12 7.64 0.29 -4.98 113.62 104.87 1rua n SER 171 Ca 0.00 0.28 -0.19 0.00 1.01 0.00 0.00 58.87 59.96 1rua n SER 171 Cb 0.51 -4.77 0.01 0.00 -1.01 0.00 0.00 64.21 58.95 1rua n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1rua s THR 172 N -2.87 2.54 0.16 0.44 -4.23 -1.24 -4.74 115.64 105.70 1rua s THR 172 Ca 0.00 -1.12 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 1rua s THR 172 Cb 0.00 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1rua s THR 172 CO 0.00 0.00 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.71 1rua s TYR 173 N -2.51 2.74 0.08 3.99 2.02 -0.33 -0.73 117.35 122.61 1rua s TYR 173 Ca 0.53 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1rua s TYR 173 Cb -0.06 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1rua s TYR 173 CO 0.32 0.50 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.62 1rua s SER 174 N -2.76 1.04 -0.00 2.29 0.01 -1.26 -1.58 113.70 111.44 1rua s SER 174 Ca 0.25 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 1rua s SER 174 Cb -0.09 0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1rua s SER 174 CO 0.16 -0.42 0.04 -0.32 0.41 0.00 0.00 173.24 173.11 1rua s MET 175 N -3.38 0.23 -0.04 12.44 1.75 0.19 -1.14 119.30 129.36 1rua s MET 175 Ca 0.07 -0.25 0.06 0.00 -1.25 0.00 0.00 55.69 54.32 1rua s MET 175 Cb 0.02 0.09 -0.02 0.00 2.84 0.00 0.00 34.83 37.76 1rua s MET 175 CO -0.04 -0.04 -0.21 0.45 -0.65 0.00 0.00 175.02 174.53 1rua s SER 176 N -0.74 3.48 -0.06 1.11 0.15 0.93 -0.43 113.70 118.14 1rua s SER 176 Ca -0.08 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1rua s SER 176 Cb -0.05 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 1rua s SER 176 CO -0.00 0.33 -0.15 -0.55 1.20 0.00 0.00 173.24 174.07 1rua s SER 177 N -0.63 1.98 -0.13 5.45 0.15 0.34 -1.02 113.70 119.83 1rua s SER 177 Ca 0.10 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1rua s SER 177 Cb -0.10 -0.76 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 1rua s SER 177 CO -0.00 0.09 -0.16 -0.89 1.20 0.00 0.00 173.24 173.48 1rua s THR 178 N 0.37 1.64 -0.27 6.45 2.01 -0.47 -0.37 115.64 124.99 1rua s THR 178 Ca -0.10 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1rua s THR 178 Cb -0.14 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1rua s THR 178 CO 0.03 0.47 0.17 -0.22 -0.69 0.00 0.00 174.62 174.39 1rua s LEU 179 N 1.11 3.97 -0.11 4.42 2.96 0.18 -1.85 118.68 129.37 1rua s LEU 179 Ca -0.03 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1rua s LEU 179 Cb -0.14 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1rua s LEU 179 CO -0.05 -0.04 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.89 1rua s THR 180 N 1.68 2.80 0.31 3.68 2.01 -0.01 -0.70 115.64 125.41 1rua s THR 180 Ca 0.07 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.34 1rua s THR 180 Cb -0.16 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1rua s THR 180 CO 0.10 0.54 0.05 -0.76 -0.69 0.00 0.00 174.62 173.86 1rua s LEU 181 N 0.15 2.17 0.49 4.42 1.43 0.78 -4.70 118.68 123.42 1rua s LEU 181 Ca -0.09 -1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 51.47 1rua s LEU 181 Cb -0.15 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 1rua s LEU 181 CO 0.05 -0.59 1.00 0.42 0.23 0.00 0.00 176.35 177.46 1rua s THR 182 N -3.32 4.17 0.24 5.49 -4.23 -1.26 -0.36 115.64 116.37 1rua s THR 182 Ca 0.36 1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 62.05 1rua s THR 182 Cb 0.08 -3.55 0.20 0.00 1.34 0.00 0.00 72.50 70.57 1rua s THR 182 CO 0.15 -0.41 1.79 0.50 -0.54 0.00 0.00 174.62 176.11 1rua h LYS 183 N 1.37 0.68 -0.89 3.99 3.64 -1.17 -1.17 116.57 123.03 1rua h LYS 183 Ca -0.48 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1rua h LYS 183 Cb 1.20 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1rua h LYS 183 CO 0.60 0.45 0.51 -0.44 -2.27 0.00 0.00 179.45 178.30 1rua h ASP 184 N 0.70 1.09 -0.14 4.20 3.32 -1.93 0.98 116.42 124.65 1rua h ASP 184 Ca 0.39 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.20 1rua h ASP 184 Cb 0.40 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1rua h ASP 184 CO -0.27 0.86 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.59 1rua h GLU 185 N 1.23 0.69 -0.45 3.56 4.81 -1.63 -2.54 114.58 120.24 1rua h GLU 185 Ca 0.31 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1rua h GLU 185 Cb -0.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1rua h GLU 185 CO -0.05 0.99 0.27 -0.92 -0.73 0.00 0.00 179.01 178.56 1rua h TYR 186 N 0.55 0.50 0.00 0.92 3.20 -0.84 -1.13 116.97 120.17 1rua h TYR 186 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1rua h TYR 186 Cb 0.98 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1rua h TYR 186 CO 0.05 0.29 0.00 0.39 -1.64 0.00 0.00 178.16 177.24 1rua n GLU 187 N -4.83 0.14 0.03 1.82 -0.58 0.30 -2.27 120.64 115.25 1rua n GLU 187 Ca 0.02 0.19 -0.08 0.00 -0.42 0.00 0.00 57.16 56.88 1rua n GLU 187 Cb 0.07 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.31 1rua n GLU 187 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1rua h ARG 188 N 0.00 0.00 -5.55 3.49 2.43 -0.77 -3.48 114.38 110.51 1rua h ARG 188 Ca 0.00 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.53 1rua h ARG 188 Cb 0.13 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.57 1rua h ARG 188 CO 0.00 0.84 -0.48 -1.01 -1.51 0.00 0.00 179.97 177.80 1rua s HIS 189 N -2.67 2.06 -0.06 2.20 3.76 -0.96 -5.09 115.29 114.52 1rua s HIS 189 Ca -0.01 -0.82 -0.02 0.00 -0.15 0.00 0.00 55.06 54.07 1rua s HIS 189 Cb 0.09 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 1rua s HIS 189 CO 0.82 0.12 -0.07 0.09 -0.85 0.00 0.00 174.74 174.85 1rua n ASN 190 N -1.31 1.86 -4.58 1.40 4.13 -1.26 -4.77 115.26 110.73 1rua n ASN 190 Ca -0.10 0.03 -0.34 0.00 1.68 0.00 0.00 54.58 55.85 1rua n ASN 190 Cb 0.66 -0.14 -0.11 0.00 -1.54 0.00 0.00 39.78 38.64 1rua n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1rua s SER 191 N -5.11 4.68 -0.05 6.41 1.04 -1.26 0.02 113.70 119.43 1rua s SER 191 Ca -0.08 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1rua s SER 191 Cb 0.03 -1.25 0.01 0.00 0.10 0.00 0.00 66.02 64.91 1rua s SER 191 CO 0.12 0.34 -0.12 -0.31 0.98 0.00 0.00 173.24 174.26 1rua s TYR 192 N -0.69 1.35 -0.03 5.02 1.51 -0.40 -1.20 117.35 122.90 1rua s TYR 192 Ca 0.11 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1rua s TYR 192 Cb -0.11 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1rua s TYR 192 CO 0.02 -0.22 -0.01 0.99 -1.11 0.00 0.00 175.55 175.22 1rua s THR 193 N 0.48 0.26 -0.25 -0.71 2.01 -0.64 -1.16 115.64 115.64 1rua s THR 193 Ca -0.10 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1rua s THR 193 Cb -0.14 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1rua s THR 193 CO 0.03 0.16 0.03 0.00 -0.69 0.00 0.00 174.62 174.15 1rua s GLU 195 N 1.55 3.13 -0.14 0.00 2.02 0.69 -0.78 118.70 125.18 1rua s GLU 195 Ca 0.06 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 1rua s GLU 195 Cb -0.15 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1rua s GLU 195 CO 0.01 -0.04 -0.08 0.00 0.02 0.00 0.00 175.26 175.17 1rua s ALA 196 N 0.93 2.84 -0.27 5.21 0.00 0.24 -0.32 121.76 130.39 1rua s ALA 196 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1rua s ALA 196 Cb -0.15 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.63 1rua s ALA 196 CO -0.03 0.26 -0.06 0.95 0.00 0.00 0.00 175.76 176.88 1rua s THR 197 N 0.26 2.64 0.07 0.00 -4.23 -0.26 -0.09 115.64 114.02 1rua s THR 197 Ca -0.06 -1.37 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1rua s THR 197 Cb -0.15 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1rua s THR 197 CO 0.04 0.02 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.76 1rua s HIS 198 N 1.22 0.88 0.48 3.99 5.04 -1.26 -1.80 115.29 123.83 1rua s HIS 198 Ca -0.05 -0.58 0.39 0.00 -1.54 0.00 0.00 55.06 53.29 1rua s HIS 198 Cb -0.19 -0.50 2.01 0.00 0.04 0.00 0.00 32.58 33.94 1rua s HIS 198 CO -0.04 -0.05 2.23 1.57 -2.34 0.00 0.00 174.74 176.11 1rua h LYS 199 N 4.06 0.00 0.00 2.88 2.10 -1.94 -1.35 116.57 122.32 1rua h LYS 199 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1rua h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1rua h LYS 199 CO 0.46 0.01 0.00 0.25 -2.00 0.00 0.00 179.45 178.17 1rua n THR 200 N -3.17 1.30 -3.99 0.07 -2.24 -1.26 -4.74 114.28 100.24 1rua n THR 200 Ca -0.02 0.40 -0.08 0.00 -2.27 0.00 0.00 64.05 62.09 1rua n THR 200 Cb 0.16 -1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 66.99 1rua n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rua s SER 201 N -3.38 0.33 -0.02 3.42 0.15 -0.51 -4.98 113.70 108.72 1rua s SER 201 Ca 0.03 -0.81 0.21 0.00 0.70 0.00 0.00 55.95 56.08 1rua s SER 201 Cb 0.06 0.24 -0.28 0.00 -1.71 0.00 0.00 66.02 64.33 1rua s SER 201 CO 0.19 -0.61 0.68 1.07 1.20 0.00 0.00 173.24 175.76 1rua n THR 202 N 0.20 0.00 -3.88 6.45 5.66 -1.26 -4.62 114.28 116.82 1rua n THR 202 Ca -0.15 -0.26 -0.35 0.00 -3.05 0.00 0.00 64.05 60.23 1rua n THR 202 Cb 0.61 0.48 -0.13 0.00 -1.55 0.00 0.00 70.33 69.74 1rua n THR 202 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1rua s SER 203 N -3.77 4.60 0.46 1.09 1.04 -1.26 -5.10 113.70 110.75 1rua s SER 203 Ca -0.00 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.88 1rua s SER 203 Cb 0.15 -1.80 -0.09 0.00 0.10 0.00 0.00 66.02 64.37 1rua s SER 203 CO 0.88 -0.02 1.06 -2.65 0.98 0.00 0.00 173.24 173.50 1rua n PRO 204 N 4.77 1.39 -2.82 4.02 -0.02 -1.26 -4.95 135.00 136.14 1rua n PRO 204 Ca -0.17 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 1rua n PRO 204 Cb 0.51 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1rua n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rua s ILE 205 N -1.31 4.89 -0.09 4.25 1.01 0.87 -4.87 121.20 125.96 1rua s ILE 205 Ca 0.65 1.82 0.04 0.00 0.00 0.00 0.00 60.65 63.16 1rua s ILE 205 Cb -0.52 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 37.74 1rua s ILE 205 CO 0.55 0.11 -0.24 -0.69 0.00 0.00 0.00 174.94 174.67 1rua s VAL 206 N 1.50 2.01 -0.04 2.92 1.01 -1.26 -0.59 120.40 125.93 1rua s VAL 206 Ca 0.44 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1rua s VAL 206 Cb -0.18 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1rua s VAL 206 CO 0.19 0.55 -0.08 -0.54 0.00 0.00 0.00 175.10 175.23 1rua s LYS 207 N 0.23 1.10 0.20 2.72 -0.14 0.04 -5.02 119.74 118.88 1rua s LYS 207 Ca -0.15 -0.24 -0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1rua s LYS 207 Cb -0.17 -1.00 -0.04 0.00 -1.68 0.00 0.00 37.83 34.94 1rua s LYS 207 CO 0.07 0.00 0.14 -1.12 -0.76 0.00 0.00 175.35 173.69 1rua s SER 208 N 0.64 0.16 0.15 2.83 0.01 -1.26 -0.68 113.70 115.55 1rua s SER 208 Ca -0.10 -1.38 -0.15 0.00 1.31 0.00 0.00 55.95 55.62 1rua s SER 208 Cb -0.13 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.51 1rua s SER 208 CO 0.01 -0.85 0.41 0.72 0.41 0.00 0.00 173.24 173.94 1rua s PHE 209 N -4.15 -0.09 -0.14 2.43 -0.71 -0.31 -4.99 117.98 110.02 1rua s PHE 209 Ca 0.39 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.99 1rua s PHE 209 Cb 0.07 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 1rua s PHE 209 CO 0.12 -0.75 -0.00 -0.80 -1.34 0.00 0.00 175.22 172.44 1rua s ASN 210 N -2.85 5.11 0.38 1.98 0.01 -1.26 -1.28 114.94 117.03 1rua s ASN 210 Ca 0.06 0.00 -0.27 0.00 -0.71 0.00 0.00 52.86 51.95 1rua s ASN 210 Cb 0.01 -1.72 -0.11 0.00 0.41 0.00 0.00 41.25 39.85 1rua s ASN 210 CO -0.08 0.24 1.24 -1.14 -1.51 0.00 0.00 177.10 175.85 1rua n ARG 211 N 3.09 1.93 -1.34 -0.60 0.63 0.10 -1.85 116.66 118.62 1rua n ARG 211 Ca -0.18 0.68 -0.12 0.00 -0.92 0.00 0.00 57.85 57.32 1rua n ARG 211 Cb 0.53 -2.30 -0.05 0.00 0.45 0.00 0.00 32.46 31.09 1rua n ARG 211 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1rua n ASN 212 N 0.52 -5.06 -4.40 6.15 4.05 -1.26 -4.98 115.26 110.28 1rua n ASN 212 Ca 0.06 0.29 -0.32 0.00 0.45 0.00 0.00 54.58 55.06 1rua n ASN 212 Cb 0.38 -3.60 -0.14 0.00 1.23 0.00 0.00 39.78 37.65 1rua n ASN 212 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1rua s GLU 213 N -2.87 2.47 0.00 1.20 2.12 -0.77 -5.29 118.70 115.56 1rua s GLU 213 Ca 0.00 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1rua s GLU 213 Cb 0.00 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.11 1rua s GLU 213 CO 0.00 0.55 0.30 0.00 -0.54 0.00 0.00 175.26 175.56