#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdr s ASP 3 N 0.00 5.08 0.05 0.00 -4.77 -1.26 -5.03 116.67 110.74 1fdr s ASP 3 Ca 0.00 -0.05 -0.14 0.00 -3.30 0.00 0.00 52.55 49.07 1fdr s ASP 3 Cb 0.00 -1.82 -0.06 0.00 -1.09 0.00 0.00 42.92 39.95 1fdr s ASP 3 CO 0.00 0.18 0.44 0.26 0.70 0.00 0.00 175.17 176.75 1fdr s TRP 4 N 0.29 3.68 0.22 2.11 0.52 -1.26 -1.53 118.94 122.96 1fdr s TRP 4 Ca -0.01 0.97 0.09 0.00 0.02 0.00 0.00 56.10 57.16 1fdr s TRP 4 Cb -0.13 -2.28 -0.05 0.00 -1.15 0.00 0.00 33.47 29.86 1fdr s TRP 4 CO 0.02 0.58 -0.16 0.14 0.02 0.00 0.00 176.95 177.55 1fdr s VAL 5 N -1.22 1.90 -0.18 4.03 -7.23 0.46 -4.91 120.40 113.25 1fdr s VAL 5 Ca 0.29 -2.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1fdr s VAL 5 Cb -0.16 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1fdr s VAL 5 CO 0.16 -0.53 0.38 -0.89 -0.31 0.00 0.00 175.10 173.91 1fdr s THR 6 N -2.79 5.23 0.26 5.32 2.01 -1.26 -0.99 115.64 123.41 1fdr s THR 6 Ca 0.23 0.70 0.10 0.00 0.31 0.00 0.00 61.69 63.03 1fdr s THR 6 Cb -0.02 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1fdr s THR 6 CO 0.08 0.30 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.41 1fdr s GLY 7 N 0.83 1.73 -0.11 4.40 0.00 0.80 -4.40 107.32 110.57 1fdr s GLY 7 Ca 0.19 -1.69 0.03 0.00 0.00 0.00 0.00 44.72 43.25 1fdr s GLY 7 CO 0.07 -1.75 -0.21 0.54 0.00 0.00 0.00 173.10 171.75 1fdr s LYS 8 N -3.49 3.14 -0.18 2.90 -0.14 -0.36 -1.44 119.74 120.17 1fdr s LYS 8 Ca 0.30 -0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 1fdr s LYS 8 Cb -0.06 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 1fdr s LYS 8 CO 0.18 0.17 1.33 0.08 -0.76 0.00 0.00 175.35 176.34 1fdr s VAL 9 N 0.40 4.16 -0.13 3.17 1.01 -0.18 -1.12 120.40 127.72 1fdr s VAL 9 Ca -0.15 1.39 0.19 0.00 0.00 0.00 0.00 61.98 63.40 1fdr s VAL 9 Cb -0.17 -3.96 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 1fdr s VAL 9 CO 0.07 -0.19 0.56 0.35 0.00 0.00 0.00 175.10 175.89 1fdr n THR 10 N 5.57 0.94 -3.67 3.92 -2.24 0.10 0.34 114.28 119.24 1fdr n THR 10 Ca 0.15 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 61.10 1fdr n THR 10 Cb 0.45 -0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 1fdr n THR 10 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1fdr s LYS 11 N -2.97 0.73 -0.13 -0.78 2.20 -0.89 -4.82 119.74 113.08 1fdr s LYS 11 Ca -0.06 0.48 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1fdr s LYS 11 Cb 0.09 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.78 1fdr s LYS 11 CO 0.84 -0.15 -0.16 0.08 -0.36 0.00 0.00 175.35 175.60 1fdr s VAL 12 N -0.32 1.62 -0.36 4.02 1.01 -1.26 -1.34 120.40 123.76 1fdr s VAL 12 Ca -0.05 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1fdr s VAL 12 Cb -0.03 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.93 1fdr s VAL 12 CO 0.03 0.47 0.14 -1.10 0.00 0.00 0.00 175.10 174.64 1fdr s GLN 13 N 1.10 2.47 -0.58 2.72 -1.52 0.32 -4.97 119.66 119.21 1fdr s GLN 13 Ca -0.03 -1.38 -0.18 0.00 -1.95 0.00 0.00 55.36 51.81 1fdr s GLN 13 Cb -0.14 -3.51 0.11 0.00 -0.22 0.00 0.00 33.01 29.25 1fdr s GLN 13 CO -0.04 -0.80 0.67 -0.80 -0.25 0.00 0.00 175.29 174.07 1fdr s ASN 14 N 1.62 6.18 0.05 5.90 0.01 -1.26 0.40 114.94 127.84 1fdr s ASN 14 Ca 0.01 -1.48 -0.18 0.00 -0.71 0.00 0.00 52.86 50.50 1fdr s ASN 14 Cb -0.21 -2.29 -0.16 0.00 0.41 0.00 0.00 41.25 39.01 1fdr s ASN 14 CO 0.01 -1.07 1.28 -0.50 -1.51 0.00 0.00 177.10 175.31 1fdr h TRP 15 N 9.14 0.62 -3.10 2.20 4.06 -1.22 -3.47 115.95 124.17 1fdr h TRP 15 Ca -0.29 -0.24 -0.18 0.00 2.06 0.00 0.00 58.89 60.24 1fdr h TRP 15 Cb 1.09 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 29.09 1fdr h TRP 15 CO 0.82 0.97 -0.18 0.25 -3.56 0.00 0.00 178.44 176.74 1fdr n THR 16 N -4.35 0.00 0.25 1.49 -2.24 -0.97 -4.96 114.28 103.51 1fdr n THR 16 Ca -0.07 -0.94 0.11 0.00 -2.27 0.00 0.00 64.05 60.88 1fdr n THR 16 Cb 0.50 0.48 0.65 0.00 -2.10 0.00 0.00 70.33 69.86 1fdr n THR 16 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fdr h ASP 17 N 0.80 0.00 0.00 3.42 3.32 -2.01 -3.21 116.42 118.74 1fdr h ASP 17 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1fdr h ASP 17 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1fdr h ASP 17 CO 0.13 0.15 -1.40 0.00 -1.72 0.00 0.00 179.24 176.41 1fdr n ALA 18 N -2.32 2.49 -2.76 3.45 0.00 -1.26 -4.94 120.51 115.18 1fdr n ALA 18 Ca -0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 1fdr n ALA 18 Cb 0.26 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 1fdr n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fdr s LEU 19 N -3.63 3.65 0.02 0.00 1.43 -1.21 -0.77 118.68 118.16 1fdr s LEU 19 Ca -0.03 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1fdr s LEU 19 Cb 0.07 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1fdr s LEU 19 CO 0.45 0.32 0.46 0.72 0.23 0.00 0.00 176.35 178.53 1fdr s PHE 20 N -0.53 -0.35 -0.03 0.29 -0.71 -0.54 -0.61 117.98 115.51 1fdr s PHE 20 Ca 0.09 0.44 0.07 0.00 -1.04 0.00 0.00 56.93 56.50 1fdr s PHE 20 Cb -0.12 0.25 -0.02 0.00 -1.21 0.00 0.00 43.02 41.92 1fdr s PHE 20 CO 0.02 -0.56 -0.24 -1.12 -1.34 0.00 0.00 175.22 171.99 1fdr s SER 21 N -1.71 3.21 -0.07 1.98 0.01 0.16 -0.77 113.70 116.52 1fdr s SER 21 Ca -0.08 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1fdr s SER 21 Cb -0.02 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 1fdr s SER 21 CO 0.01 0.32 -0.05 -0.76 0.41 0.00 0.00 173.24 173.17 1fdr s LEU 22 N -0.58 3.25 -0.17 2.44 1.43 0.15 -0.52 118.68 124.68 1fdr s LEU 22 Ca 0.09 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1fdr s LEU 22 Cb -0.10 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1fdr s LEU 22 CO -0.00 0.36 -0.11 -0.89 0.23 0.00 0.00 176.35 175.95 1fdr s THR 23 N -0.83 3.08 -0.01 5.49 2.01 -0.45 -0.56 115.64 124.37 1fdr s THR 23 Ca 0.13 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.56 1fdr s THR 23 Cb -0.11 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1fdr s THR 23 CO 0.02 0.49 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.57 1fdr s VAL 24 N 0.82 1.42 -0.29 3.82 1.01 0.69 0.02 120.40 127.90 1fdr s VAL 24 Ca -0.04 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1fdr s VAL 24 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1fdr s VAL 24 CO 0.01 0.36 0.08 -1.00 0.00 0.00 0.00 175.10 174.55 1fdr s HIS 25 N -0.47 3.13 -0.00 5.22 3.76 -0.27 -1.46 115.29 125.20 1fdr s HIS 25 Ca 0.07 -0.88 -0.05 0.00 -0.15 0.00 0.00 55.06 54.05 1fdr s HIS 25 Cb -0.07 -2.25 -0.00 0.00 1.11 0.00 0.00 32.58 31.37 1fdr s HIS 25 CO -0.00 -0.54 0.09 0.00 -0.85 0.00 0.00 174.74 173.44 1fdr s ALA 26 N 1.52 -0.21 -1.31 -1.40 0.00 -1.26 -1.23 121.76 117.87 1fdr s ALA 26 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 1fdr s ALA 26 Cb -0.17 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 1fdr s ALA 26 CO 0.02 -0.17 2.56 -0.35 0.00 0.00 0.00 175.76 177.83 1fdr n PRO 27 N 1.80 2.95 -2.48 0.00 -0.04 -1.26 -4.92 135.00 131.05 1fdr n PRO 27 Ca -0.21 -1.91 -0.25 0.00 -0.04 0.00 0.00 63.50 61.09 1fdr n PRO 27 Cb 0.56 -2.68 0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1fdr n PRO 27 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fdr s VAL 28 N 2.79 3.41 0.65 0.52 -7.23 -1.26 -4.91 120.40 114.38 1fdr s VAL 28 Ca 0.56 -0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.46 1fdr s VAL 28 Cb 0.15 -3.35 0.01 0.00 0.56 0.00 0.00 36.38 33.75 1fdr s VAL 28 CO -0.05 -0.33 1.02 -0.76 -0.31 0.00 0.00 175.10 174.67 1fdr s LEU 29 N -4.94 3.05 0.72 1.32 1.43 -0.44 -5.04 118.68 114.79 1fdr s LEU 29 Ca 0.54 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 54.49 1fdr s LEU 29 Cb -0.10 -3.81 0.04 0.00 0.03 0.00 0.00 46.19 42.34 1fdr s LEU 29 CO 0.43 -1.20 1.14 -2.84 0.23 0.00 0.00 176.35 174.11 1fdr s PRO 30 N -5.20 2.33 0.26 1.29 0.02 -1.26 -4.84 135.00 127.59 1fdr s PRO 30 Ca 0.56 1.49 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1fdr s PRO 30 Cb -0.11 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1fdr s PRO 30 CO 0.49 -1.63 0.13 -0.59 -0.33 0.00 0.00 177.00 175.07 1fdr s PHE 31 N -2.35 1.45 -0.17 6.54 -0.71 -1.26 -4.65 117.98 116.84 1fdr s PHE 31 Ca 0.68 -1.31 -0.13 0.00 -1.04 0.00 0.00 56.93 55.14 1fdr s PHE 31 Cb -0.23 -0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 40.75 1fdr s PHE 31 CO 0.46 -0.49 0.26 0.99 -1.34 0.00 0.00 175.22 175.10 1fdr s THR 32 N -3.83 5.33 0.05 -4.49 2.01 -1.26 -4.78 115.64 108.68 1fdr s THR 32 Ca 0.38 0.47 -0.37 0.00 0.31 0.00 0.00 61.69 62.48 1fdr s THR 32 Cb 0.07 -3.59 -0.17 0.00 0.01 0.00 0.00 72.50 68.81 1fdr s THR 32 CO 0.15 0.41 1.34 0.00 -0.69 0.00 0.00 174.62 175.83 1fdr n ALA 33 N 3.51 -1.15 0.00 7.40 0.00 -1.26 -1.38 120.51 127.64 1fdr n ALA 33 Ca -0.13 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1fdr n ALA 33 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1fdr n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fdr n GLY 34 N 2.55 2.22 3.86 0.00 0.00 -1.26 -4.54 105.19 108.03 1fdr n GLY 34 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1fdr n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fdr s GLN 35 N -0.57 1.45 0.18 1.61 -0.21 -0.48 -4.51 119.66 117.13 1fdr s GLN 35 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 55.36 55.49 1fdr s GLN 35 Cb 0.00 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 1fdr s GLN 35 CO 0.00 -1.95 -0.02 -0.59 -2.12 0.00 0.00 175.29 170.62 1fdr s PHE 36 N -3.52 1.30 0.17 0.91 -0.12 0.13 -2.13 117.98 114.72 1fdr s PHE 36 Ca 0.64 -0.95 0.02 0.00 -0.05 0.00 0.00 56.93 56.59 1fdr s PHE 36 Cb -0.11 -0.73 -0.01 0.00 -0.63 0.00 0.00 43.02 41.54 1fdr s PHE 36 CO 0.51 -0.12 0.06 -2.37 -0.05 0.00 0.00 175.22 173.25 1fdr n THR 37 N -0.27 0.00 -4.96 -4.49 5.66 -0.62 -1.00 114.28 108.59 1fdr n THR 37 Ca -0.07 -1.00 -0.30 0.00 -3.05 0.00 0.00 64.05 59.63 1fdr n THR 37 Cb 0.63 0.35 -0.15 0.00 -1.55 0.00 0.00 70.33 69.61 1fdr n THR 37 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1fdr s LYS 38 N -2.66 1.92 0.13 1.09 1.02 -1.26 -0.64 119.74 119.34 1fdr s LYS 38 Ca 0.08 -1.04 0.09 0.00 0.02 0.00 0.00 55.97 55.12 1fdr s LYS 38 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1fdr s LYS 38 CO 0.06 0.53 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.35 1fdr s LEU 39 N -1.11 2.79 0.05 3.17 1.43 0.24 -2.02 118.68 123.23 1fdr s LEU 39 Ca 0.12 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.47 1fdr s LEU 39 Cb -0.10 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1fdr s LEU 39 CO 0.02 0.17 0.47 -0.83 0.23 0.00 0.00 176.35 176.40 1fdr s GLY 40 N -2.27 -0.36 -0.00 -3.19 0.00 -0.09 -1.43 107.32 99.98 1fdr s GLY 40 Ca 0.20 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.35 1fdr s GLY 40 CO 0.11 0.18 0.04 1.08 0.00 0.00 0.00 173.10 174.51 1fdr s LEU 41 N -2.01 1.92 -0.28 0.66 1.43 -0.65 -1.39 118.68 118.36 1fdr s LEU 41 Ca -0.05 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1fdr s LEU 41 Cb -0.01 0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.45 1fdr s LEU 41 CO -0.02 -0.18 1.15 -0.70 0.23 0.00 0.00 176.35 176.83 1fdr s GLU 42 N -0.75 4.09 0.00 1.70 2.12 -1.26 -0.06 118.70 124.54 1fdr s GLU 42 Ca -0.08 1.25 0.00 0.00 0.36 0.00 0.00 54.97 56.49 1fdr s GLU 42 Cb -0.05 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1fdr s GLU 42 CO -0.00 -0.88 0.00 -0.89 -0.54 0.00 0.00 175.26 172.95 1fdr n ILE 43 N 5.78 0.00 -2.51 -3.70 5.41 -1.26 -4.95 119.36 118.14 1fdr n ILE 43 Ca 0.13 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.42 1fdr n ILE 43 Cb 0.46 0.31 -0.02 0.00 -0.71 0.00 0.00 39.64 39.68 1fdr n ILE 43 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1fdr s ARG 47 N -0.44 3.92 -0.17 0.38 3.52 -1.26 -5.29 118.95 119.62 1fdr s ARG 47 Ca 0.00 1.08 -0.05 0.00 -0.13 0.00 0.00 55.73 56.63 1fdr s ARG 47 Cb 0.00 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 1fdr s ARG 47 CO 0.00 -1.11 0.01 0.08 -0.81 0.00 0.00 175.30 173.47 1fdr s VAL 48 N 4.21 4.30 0.04 7.11 1.01 0.92 -4.93 120.40 133.06 1fdr s VAL 48 Ca 0.52 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1fdr s VAL 48 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1fdr s VAL 48 CO 0.22 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.65 1fdr s GLN 49 N 0.33 1.06 0.05 2.72 -2.07 -1.26 -1.64 119.66 118.85 1fdr s GLN 49 Ca -0.01 -0.81 -0.02 0.00 -1.82 0.00 0.00 55.36 52.71 1fdr s GLN 49 Cb -0.13 -1.10 -0.03 0.00 -1.09 0.00 0.00 33.01 30.66 1fdr s GLN 49 CO 0.02 0.27 0.00 1.03 -1.32 0.00 0.00 175.29 175.29 1fdr s ARG 50 N -1.14 0.57 0.07 9.60 1.81 -0.52 -4.97 118.95 124.37 1fdr s ARG 50 Ca 0.03 -1.04 -0.22 0.00 -1.72 0.00 0.00 55.73 52.79 1fdr s ARG 50 Cb -0.08 0.21 -0.06 0.00 -0.45 0.00 0.00 34.95 34.56 1fdr s ARG 50 CO 0.01 -0.12 0.66 0.00 -0.68 0.00 0.00 175.30 175.18 1fdr s ALA 51 N -3.32 3.49 -0.03 2.13 0.00 -1.26 -0.59 121.76 122.17 1fdr s ALA 51 Ca 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 1fdr s ALA 51 Cb 0.03 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.38 1fdr s ALA 51 CO -0.08 0.25 0.04 0.71 0.00 0.00 0.00 175.76 176.69 1fdr s TYR 52 N -0.67 0.00 0.34 0.00 2.02 0.19 -4.93 117.35 114.30 1fdr s TYR 52 Ca 0.33 0.17 -0.28 0.00 -0.37 0.00 0.00 57.07 56.92 1fdr s TYR 52 Cb -0.20 -0.21 -0.09 0.00 -0.40 0.00 0.00 41.96 41.05 1fdr s TYR 52 CO 0.21 -0.10 1.19 -1.12 -1.57 0.00 0.00 175.55 174.16 1fdr s SER 53 N 1.05 6.86 0.31 2.29 0.01 -1.26 -1.59 113.70 121.36 1fdr s SER 53 Ca -0.09 2.44 -0.29 0.00 1.31 0.00 0.00 55.95 59.32 1fdr s SER 53 Cb -0.12 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.38 1fdr s SER 53 CO -0.03 -0.45 1.14 -0.31 0.41 0.00 0.00 173.24 174.00 1fdr s TYR 54 N -1.24 3.42 -0.05 2.43 2.02 -0.91 -4.62 117.35 118.41 1fdr s TYR 54 Ca 0.50 1.63 0.14 0.00 -0.37 0.00 0.00 57.07 58.97 1fdr s TYR 54 Cb -0.34 -3.37 -0.20 0.00 -0.40 0.00 0.00 41.96 37.65 1fdr s TYR 54 CO 0.44 -0.88 0.24 0.28 -1.57 0.00 0.00 175.55 174.07 1fdr n VAL 55 N 0.96 0.23 -2.03 0.71 0.31 -0.21 -4.08 118.33 114.22 1fdr n VAL 55 Ca -0.00 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.64 1fdr n VAL 55 Cb 0.44 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1fdr n VAL 55 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1fdr s ASN 56 N -3.87 6.29 0.41 4.52 4.22 -1.25 -3.35 114.94 121.91 1fdr s ASN 56 Ca -0.05 1.39 -0.26 0.00 -2.14 0.00 0.00 52.86 51.80 1fdr s ASN 56 Cb 0.08 -2.45 -0.08 0.00 1.28 0.00 0.00 41.25 40.07 1fdr s ASN 56 CO 0.57 -0.79 1.26 -0.55 -2.04 0.00 0.00 177.10 175.55 1fdr s SER 57 N -4.00 6.33 0.65 3.54 0.15 -1.26 -4.57 113.70 114.53 1fdr s SER 57 Ca 0.55 2.56 0.40 0.00 0.70 0.00 0.00 55.95 60.16 1fdr s SER 57 Cb -0.11 -2.63 2.22 0.00 -1.71 0.00 0.00 66.02 63.79 1fdr s SER 57 CO 0.50 -0.83 2.31 -0.65 1.20 0.00 0.00 173.24 175.76 1fdr h PRO 58 N 2.61 0.00 -0.00 5.44 0.11 -1.86 0.27 132.00 138.56 1fdr h PRO 58 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fdr h PRO 58 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1fdr h PRO 58 CO 0.62 0.00 -0.09 -0.25 -0.21 0.00 0.00 178.00 178.07 1fdr n ASP 59 N -3.26 0.50 -4.38 -2.05 8.00 -1.26 -4.72 116.55 109.38 1fdr n ASP 59 Ca -0.03 -0.67 -0.36 0.00 0.71 0.00 0.00 54.79 54.44 1fdr n ASP 59 Cb 0.11 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.01 1fdr n ASP 59 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1fdr s ASN 60 N -2.40 4.72 0.61 -2.24 3.84 0.08 -4.99 114.94 114.56 1fdr s ASN 60 Ca 0.31 -0.31 0.38 0.00 0.21 0.00 0.00 52.86 53.45 1fdr s ASN 60 Cb 0.20 -1.83 2.00 0.00 -0.55 0.00 0.00 41.25 41.07 1fdr s ASN 60 CO 0.45 -0.03 2.24 1.55 -2.79 0.00 0.00 177.10 178.53 1fdr h PRO 61 N 8.18 0.00 -6.13 0.43 0.13 -1.84 -3.40 132.00 129.36 1fdr h PRO 61 Ca -0.40 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.22 1fdr h PRO 61 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1fdr h PRO 61 CO 0.59 0.02 1.19 -0.51 -0.23 0.00 0.00 178.00 179.06 1fdr s ASP 62 N -5.58 5.92 0.23 1.44 1.01 -1.26 -4.73 116.67 113.69 1fdr s ASP 62 Ca -0.04 -0.56 -0.30 0.00 0.71 0.00 0.00 52.55 52.36 1fdr s ASP 62 Cb 0.13 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.40 1fdr s ASP 62 CO 0.48 -1.99 1.44 -0.76 0.21 0.00 0.00 175.17 174.55 1fdr s LEU 63 N 6.83 4.39 -0.05 1.23 1.43 -0.53 -4.78 118.68 127.19 1fdr s LEU 63 Ca 0.49 2.62 0.04 0.00 -1.03 0.00 0.00 54.13 56.25 1fdr s LEU 63 Cb -0.07 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1fdr s LEU 63 CO 0.08 -0.69 -0.17 -0.70 0.23 0.00 0.00 176.35 175.10 1fdr s GLU 64 N -0.12 1.90 -0.03 1.70 2.12 -1.26 -0.22 118.70 122.79 1fdr s GLU 64 Ca 0.60 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.37 1fdr s GLU 64 Cb -0.41 -1.60 -0.00 0.00 0.26 0.00 0.00 34.13 32.38 1fdr s GLU 64 CO 0.41 0.19 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.14 1fdr s PHE 65 N 0.21 1.20 -0.21 5.30 0.08 0.28 -1.04 117.98 123.80 1fdr s PHE 65 Ca -0.08 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1fdr s PHE 65 Cb -0.13 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1fdr s PHE 65 CO 0.03 -0.11 -0.05 -0.47 -0.10 0.00 0.00 175.22 174.53 1fdr s TYR 66 N 0.09 2.95 0.19 0.36 5.04 -1.26 -0.68 117.35 124.05 1fdr s TYR 66 Ca -0.02 -0.85 0.01 0.00 -2.44 0.00 0.00 57.07 53.76 1fdr s TYR 66 Cb -0.09 -2.08 -0.05 0.00 0.35 0.00 0.00 41.96 40.10 1fdr s TYR 66 CO 0.01 -0.48 0.04 -0.51 -1.34 0.00 0.00 175.55 173.27 1fdr s LEU 67 N 1.31 1.88 -0.02 6.97 1.02 0.05 -4.91 118.68 124.97 1fdr s LEU 67 Ca 0.04 -1.25 0.03 0.00 0.02 0.00 0.00 54.13 52.97 1fdr s LEU 67 Cb -0.14 0.04 -0.00 0.00 0.02 0.00 0.00 46.19 46.11 1fdr s LEU 67 CO -0.02 -0.65 -0.11 0.54 0.02 0.00 0.00 176.35 176.13 1fdr s VAL 68 N -3.77 0.94 -0.24 -1.59 0.11 -1.26 -1.46 120.40 113.14 1fdr s VAL 68 Ca 0.29 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 1fdr s VAL 68 Cb 0.07 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1fdr s VAL 68 CO 0.07 0.28 1.38 -0.89 -3.33 0.00 0.00 175.10 172.61 1fdr s THR 69 N 0.05 4.04 -0.58 5.04 2.01 0.05 -4.92 115.64 121.33 1fdr s THR 69 Ca -0.01 1.20 -0.20 0.00 0.31 0.00 0.00 61.69 63.00 1fdr s THR 69 Cb -0.08 -3.99 0.09 0.00 0.01 0.00 0.00 72.50 68.53 1fdr s THR 69 CO 0.01 -0.34 0.73 -0.69 -0.69 0.00 0.00 174.62 173.64 1fdr s VAL 70 N 4.35 4.75 0.28 3.82 1.01 -1.26 -4.97 120.40 128.38 1fdr s VAL 70 Ca 0.60 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1fdr s VAL 70 Cb -0.20 -4.48 0.42 0.00 0.00 0.00 0.00 36.38 32.12 1fdr s VAL 70 CO 0.23 -1.11 1.49 -2.65 0.00 0.00 0.00 175.10 173.05 1fdr n PRO 71 N 6.51 -0.08 -0.19 2.72 -0.02 -1.26 -0.26 135.00 142.41 1fdr n PRO 71 Ca -0.08 1.46 0.09 0.00 -2.02 0.00 0.00 63.50 62.95 1fdr n PRO 71 Cb 0.43 -2.24 0.25 0.00 -0.02 0.00 0.00 33.50 31.92 1fdr n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fdr n ASP 72 N -5.49 2.42 -4.88 2.55 8.00 -1.26 -4.92 116.55 112.97 1fdr n ASP 72 Ca 0.18 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.46 1fdr n ASP 72 Cb 0.59 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 1fdr n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1fdr s GLY 73 N -1.20 1.82 -0.03 0.44 0.00 0.63 -5.04 107.32 103.95 1fdr s GLY 73 Ca 0.33 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.58 1fdr s GLY 73 CO 0.24 -0.06 0.94 0.07 0.00 0.00 0.00 173.10 174.29 1fdr h LYS 74 N 0.88 0.35 0.11 2.90 2.10 -1.92 -3.39 116.57 117.60 1fdr h LYS 74 Ca -0.47 -0.55 -0.36 0.00 -2.00 0.00 0.00 60.65 57.27 1fdr h LYS 74 Cb 1.19 0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 32.70 1fdr h LYS 74 CO 0.63 1.25 -2.02 -0.11 -2.00 0.00 0.00 179.45 177.20 1fdr n LEU 75 N -4.09 2.52 -0.22 7.07 7.94 -1.26 -4.34 117.00 124.61 1fdr n LEU 75 Ca -0.14 0.19 -0.01 0.00 -1.11 0.00 0.00 56.01 54.95 1fdr n LEU 75 Cb 0.83 -0.99 0.11 0.00 0.53 0.00 0.00 43.42 43.89 1fdr n LEU 75 CO 0.50 0.83 1.06 0.77 -1.11 0.00 0.00 177.39 179.44 1fdr h SER 76 N 0.06 0.46 0.11 1.96 4.64 -1.88 0.70 113.55 119.61 1fdr h SER 76 Ca -0.43 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.91 1fdr h SER 76 Cb 2.02 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1fdr h SER 76 CO 0.07 0.29 -0.11 -0.65 -0.87 0.00 0.00 176.83 175.56 1fdr h PRO 77 N 0.60 0.00 -0.18 4.77 0.11 -1.78 -0.58 132.00 134.94 1fdr h PRO 77 Ca 0.31 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.21 1fdr h PRO 77 Cb 0.26 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1fdr h PRO 77 CO -0.22 0.11 -0.70 0.00 -0.21 0.00 0.00 178.00 176.98 1fdr h ARG 78 N 0.00 0.80 0.00 1.05 -0.00 -1.11 -2.92 114.38 112.19 1fdr h ARG 78 Ca -0.00 -0.61 -0.07 0.00 -0.50 0.00 0.00 59.98 58.79 1fdr h ARG 78 Cb 0.20 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.28 1fdr h ARG 78 CO 0.01 1.23 -0.33 -0.07 0.00 0.00 0.00 179.97 180.81 1fdr h LEU 79 N 0.54 0.00 -1.36 3.04 3.38 -0.77 -1.96 115.31 118.18 1fdr h LEU 79 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fdr h LEU 79 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1fdr h LEU 79 CO 0.15 0.33 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1fdr h ALA 80 N 1.67 1.00 0.00 1.53 0.00 -0.94 -1.83 119.26 120.69 1fdr h ALA 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fdr h ALA 80 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1fdr h ALA 80 CO 0.04 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 178.74 1fdr n ALA 81 N -1.98 3.39 -1.77 0.00 0.00 -0.74 -4.92 120.51 114.49 1fdr n ALA 81 Ca 0.01 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 1fdr n ALA 81 Cb 0.25 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1fdr n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fdr s LEU 82 N -3.32 4.28 0.29 0.00 1.43 -0.69 -5.04 118.68 115.62 1fdr s LEU 82 Ca 0.10 2.68 0.11 0.00 -1.03 0.00 0.00 54.13 55.99 1fdr s LEU 82 Cb 0.16 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1fdr s LEU 82 CO 0.71 -0.76 -0.15 -0.54 0.23 0.00 0.00 176.35 175.84 1fdr s LYS 83 N -2.10 1.80 0.25 1.70 -0.14 -1.26 -4.98 119.74 115.02 1fdr s LYS 83 Ca 0.54 -1.73 -0.31 0.00 -1.36 0.00 0.00 55.97 53.12 1fdr s LYS 83 Cb -0.39 -1.83 -0.13 0.00 -1.68 0.00 0.00 37.83 33.80 1fdr s LYS 83 CO 0.51 0.31 1.41 -2.30 -0.76 0.00 0.00 175.35 174.52 1fdr n PRO 84 N -0.69 2.11 0.00 -1.68 -0.02 -1.26 -1.35 135.00 132.11 1fdr n PRO 84 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1fdr n PRO 84 Cb 0.60 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1fdr n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fdr n GLY 85 N 2.03 3.26 3.77 -1.23 0.00 0.15 -4.99 105.19 108.18 1fdr n GLY 85 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1fdr n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fdr s ASP 86 N -1.09 4.92 0.12 1.61 1.01 -0.46 -4.71 116.67 118.07 1fdr s ASP 86 Ca 0.00 1.98 -0.00 0.00 0.71 0.00 0.00 52.55 55.24 1fdr s ASP 86 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1fdr s ASP 86 CO 0.00 -1.76 0.28 -1.61 0.21 0.00 0.00 175.17 172.29 1fdr s GLU 87 N -4.26 3.48 -0.08 8.23 8.01 -1.26 -1.01 118.70 131.81 1fdr s GLU 87 Ca 0.66 -0.42 -0.11 0.00 0.01 0.00 0.00 54.97 55.11 1fdr s GLU 87 Cb -0.20 -2.96 0.03 0.00 -4.31 0.00 0.00 34.13 26.68 1fdr s GLU 87 CO 0.45 0.53 0.29 0.54 0.01 0.00 0.00 175.26 177.08 1fdr s VAL 88 N -1.65 0.02 0.15 2.63 0.11 -0.52 -4.93 120.40 116.20 1fdr s VAL 88 Ca 0.36 -0.16 -0.19 0.00 -2.93 0.00 0.00 61.98 59.06 1fdr s VAL 88 Cb -0.12 -0.46 -0.07 0.00 -1.53 0.00 0.00 36.38 34.19 1fdr s VAL 88 CO 0.28 -0.09 0.65 -1.10 -3.33 0.00 0.00 175.10 171.51 1fdr s GLN 89 N -0.28 4.24 -0.02 1.54 -1.52 -0.48 -0.14 119.66 122.99 1fdr s GLN 89 Ca -0.04 0.80 0.01 0.00 -1.95 0.00 0.00 55.36 54.18 1fdr s GLN 89 Cb -0.03 -3.08 0.02 0.00 -0.22 0.00 0.00 33.01 29.70 1fdr s GLN 89 CO 0.01 0.52 -0.01 0.08 -0.25 0.00 0.00 175.29 175.65 1fdr s VAL 90 N -1.31 0.17 0.02 1.09 1.01 -0.16 -0.91 120.40 120.31 1fdr s VAL 90 Ca 0.36 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1fdr s VAL 90 Cb -0.18 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 1fdr s VAL 90 CO 0.21 0.11 1.33 -0.69 0.00 0.00 0.00 175.10 176.06 1fdr s VAL 91 N 0.68 3.78 0.19 2.92 1.01 -0.85 -0.40 120.40 127.72 1fdr s VAL 91 Ca -0.07 1.20 0.19 0.00 0.00 0.00 0.00 61.98 63.31 1fdr s VAL 91 Cb -0.10 -3.77 0.14 0.00 0.00 0.00 0.00 36.38 32.65 1fdr s VAL 91 CO -0.01 0.03 1.75 0.77 0.00 0.00 0.00 175.10 177.64 1fdr h SER 92 N 7.40 0.00 -3.79 3.32 4.64 -1.63 -3.43 113.55 120.07 1fdr h SER 92 Ca -0.39 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.30 1fdr h SER 92 Cb 1.19 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.11 1fdr h SER 92 CO 0.88 0.36 -0.52 -0.70 -0.87 0.00 0.00 176.83 175.97 1fdr s GLU 93 N -3.66 3.96 0.78 4.77 2.12 -1.26 -1.32 118.70 124.08 1fdr s GLU 93 Ca -0.00 -0.32 -0.11 0.00 0.36 0.00 0.00 54.97 54.90 1fdr s GLU 93 Cb 0.11 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.96 1fdr s GLU 93 CO 0.68 -0.11 1.09 0.00 -0.54 0.00 0.00 175.26 176.38 1fdr s ALA 94 N 1.55 2.30 0.25 6.30 0.00 -1.26 -4.91 121.76 125.99 1fdr s ALA 94 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1fdr s ALA 94 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1fdr s ALA 94 CO 0.09 -1.66 0.28 0.00 0.00 0.00 0.00 175.76 174.46 1fdr s ALA 95 N -3.13 0.92 0.00 0.00 0.00 -0.17 -4.96 121.76 114.42 1fdr s ALA 95 Ca 0.60 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1fdr s ALA 95 Cb -0.14 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.28 1fdr s ALA 95 CO 0.54 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1fdr n GLY 96 N -0.39 3.01 0.13 0.00 0.00 -1.26 -0.69 105.19 105.99 1fdr n GLY 96 Ca 0.02 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.40 1fdr n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fdr n PHE 97 N 0.10 0.00 -1.94 1.61 3.72 -1.26 -4.82 117.46 114.87 1fdr n PHE 97 Ca 0.00 -0.72 -0.41 0.00 -0.05 0.00 0.00 57.45 56.27 1fdr n PHE 97 Cb 0.00 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 1fdr n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1fdr n PHE 98 N -1.01 2.77 -4.26 1.38 7.35 -1.26 -4.70 117.46 117.73 1fdr n PHE 98 Ca 0.11 -2.88 -0.15 0.00 -0.76 0.00 0.00 57.45 53.77 1fdr n PHE 98 Cb 0.59 -2.07 -0.10 0.00 0.35 0.00 0.00 39.48 38.25 1fdr n PHE 98 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1fdr s VAL 99 N 0.43 1.16 0.25 -2.13 -7.23 -1.26 -4.38 120.40 107.25 1fdr s VAL 99 Ca 0.52 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1fdr s VAL 99 Cb 0.15 -1.93 0.23 0.00 0.56 0.00 0.00 36.38 35.39 1fdr s VAL 99 CO -0.06 -0.68 1.81 -0.07 -0.31 0.00 0.00 175.10 175.79 1fdr h LEU 100 N 2.73 0.71 -1.79 1.32 3.38 -1.90 -1.11 115.31 118.65 1fdr h LEU 100 Ca -0.37 0.05 0.24 0.00 0.09 0.00 0.00 57.88 57.89 1fdr h LEU 100 Cb 1.20 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1fdr h LEU 100 CO 0.64 0.40 0.63 -0.78 0.09 0.00 0.00 178.44 179.42 1fdr h ASP 101 N 0.82 0.16 -0.14 -0.43 3.58 -1.95 0.38 116.42 118.84 1fdr h ASP 101 Ca 0.42 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1fdr h ASP 101 Cb 0.40 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1fdr h ASP 101 CO -0.26 0.06 0.00 -0.62 -2.88 0.00 0.00 179.24 175.54 1fdr n GLU 102 N -4.37 1.81 -3.47 0.28 -0.58 -0.42 -4.85 120.64 109.03 1fdr n GLU 102 Ca 0.19 -1.20 -0.37 0.00 -0.42 0.00 0.00 57.16 55.36 1fdr n GLU 102 Cb 0.87 -1.43 -0.08 0.00 -0.57 0.00 0.00 31.44 30.24 1fdr n GLU 102 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1fdr s VAL 103 N -1.83 5.25 1.00 2.62 1.01 0.13 -5.02 120.40 123.57 1fdr s VAL 103 Ca 0.34 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 1fdr s VAL 103 Cb 0.19 -3.67 0.19 0.00 0.00 0.00 0.00 36.38 33.10 1fdr s VAL 103 CO 0.29 0.30 1.08 -2.84 0.00 0.00 0.00 175.10 173.92 1fdr s PRO 104 N 1.08 0.36 0.34 2.72 0.02 -1.26 -4.98 135.00 133.29 1fdr s PRO 104 Ca 0.16 0.83 -0.27 0.00 0.02 0.00 0.00 61.00 61.74 1fdr s PRO 104 Cb -0.14 -1.70 -0.09 0.00 0.02 0.00 0.00 34.50 32.58 1fdr s PRO 104 CO 0.06 -2.86 1.18 -3.38 -0.33 0.00 0.00 177.00 171.68 1fdr s HIS 105 N -2.77 3.23 0.06 6.54 -3.43 -1.26 -5.00 115.29 112.67 1fdr s HIS 105 Ca 0.66 1.56 -0.26 0.00 -0.80 0.00 0.00 55.06 56.22 1fdr s HIS 105 Cb -0.21 -3.43 0.08 0.00 -1.43 0.00 0.00 32.58 27.59 1fdr s HIS 105 CO 0.60 -1.20 0.72 0.00 -2.00 0.00 0.00 174.74 172.85 1fdr h GLU 107 N 2.16 0.40 -4.25 0.00 4.81 -1.55 -3.38 114.58 112.76 1fdr h GLU 107 Ca -0.29 -0.41 -0.55 0.00 -0.13 0.00 0.00 59.36 57.98 1fdr h GLU 107 Cb 1.26 0.11 -0.37 0.00 0.63 0.00 0.00 28.75 30.38 1fdr h GLU 107 CO 0.35 1.08 -0.80 0.99 -0.73 0.00 0.00 179.01 179.90 1fdr s THR 108 N -3.30 1.12 -0.28 0.32 2.01 -0.26 -0.19 115.64 115.05 1fdr s THR 108 Ca -0.06 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 1fdr s THR 108 Cb 0.09 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1fdr s THR 108 CO 0.86 0.29 0.31 -0.22 -0.69 0.00 0.00 174.62 175.17 1fdr s LEU 109 N 1.65 4.10 -0.24 4.42 2.96 0.20 -1.96 118.68 129.82 1fdr s LEU 109 Ca 0.03 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.92 1fdr s LEU 109 Cb -0.14 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 1fdr s LEU 109 CO -0.08 -0.16 0.23 0.26 -1.32 0.00 0.00 176.35 175.28 1fdr s TRP 110 N 1.95 3.31 -0.36 5.38 0.52 -0.06 -0.56 118.94 129.13 1fdr s TRP 110 Ca 0.12 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.54 1fdr s TRP 110 Cb -0.16 -2.36 0.09 0.00 -1.15 0.00 0.00 33.47 29.89 1fdr s TRP 110 CO 0.11 0.00 0.10 -1.64 0.02 0.00 0.00 176.95 175.54 1fdr s MET 111 N 1.27 1.99 -0.12 4.98 -1.94 0.22 0.00 119.30 125.70 1fdr s MET 111 Ca 0.10 -1.68 -0.02 0.00 -1.71 0.00 0.00 55.69 52.39 1fdr s MET 111 Cb -0.14 -3.36 -0.03 0.00 2.01 0.00 0.00 34.83 33.31 1fdr s MET 111 CO 0.06 -0.90 -0.05 -0.51 -0.01 0.00 0.00 175.02 173.62 1fdr s LEU 112 N 1.11 3.25 -0.04 -0.03 1.43 -0.08 -0.42 118.68 123.90 1fdr s LEU 112 Ca 0.05 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1fdr s LEU 112 Cb -0.21 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1fdr s LEU 112 CO -0.04 0.26 0.22 0.00 0.23 0.00 0.00 176.35 177.01 1fdr s ALA 113 N -0.16 -0.54 0.09 4.21 0.00 -0.39 -1.69 121.76 123.28 1fdr s ALA 113 Ca 0.03 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1fdr s ALA 113 Cb -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1fdr s ALA 113 CO 0.03 -0.18 0.02 0.95 0.00 0.00 0.00 175.76 176.57 1fdr s THR 114 N -0.75 4.14 0.00 0.00 -4.23 -1.07 -1.09 115.64 112.64 1fdr s THR 114 Ca -0.08 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1fdr s THR 114 Cb -0.05 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1fdr s THR 114 CO 0.02 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1fdr n GLY 115 N 0.54 2.48 0.00 3.99 0.00 -0.05 -1.01 105.19 111.14 1fdr n GLY 115 Ca -0.10 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1fdr n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fdr n THR 116 N 0.00 0.10 1.45 2.61 -2.24 -1.26 -3.91 114.28 111.03 1fdr n THR 116 Ca 0.00 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.87 1fdr n THR 116 Cb 0.00 -0.58 0.38 0.00 -2.10 0.00 0.00 70.33 68.03 1fdr n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fdr n ALA 117 N -1.26 2.30 0.45 6.98 0.00 -0.18 -3.13 120.51 125.67 1fdr n ALA 117 Ca 0.14 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1fdr n ALA 117 Cb 0.21 -1.21 0.41 0.00 0.00 0.00 0.00 19.45 18.86 1fdr n ALA 117 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1fdr h ILE 118 N 0.00 0.00 -0.43 0.00 2.10 -1.75 -3.38 117.51 114.06 1fdr h ILE 118 Ca 0.00 -0.53 0.08 0.00 1.08 0.00 0.00 64.86 65.49 1fdr h ILE 118 Cb 0.00 1.47 -0.09 0.00 -1.09 0.00 0.00 36.82 37.11 1fdr h ILE 118 CO 0.00 0.00 -0.33 1.23 -1.08 0.00 0.00 178.15 177.97 1fdr h GLY 119 N 3.59 -0.24 0.99 8.18 0.00 -1.89 -2.03 103.07 111.68 1fdr h GLY 119 Ca 0.00 0.42 0.08 0.00 0.00 0.00 0.00 47.33 47.83 1fdr h GLY 119 CO 0.00 -0.21 0.47 -0.56 0.00 0.00 0.00 176.54 176.24 1fdr h PRO 120 N -0.24 0.63 -0.47 4.80 0.13 -1.74 -1.83 132.00 133.29 1fdr h PRO 120 Ca 0.18 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.20 1fdr h PRO 120 Cb 0.54 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1fdr h PRO 120 CO -0.56 0.42 -0.00 1.88 -0.23 0.00 0.00 178.00 179.50 1fdr h TYR 121 N 0.65 0.91 -0.59 1.56 0.05 -1.66 -1.96 116.97 115.95 1fdr h TYR 121 Ca 0.32 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1fdr h TYR 121 Cb 0.38 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1fdr h TYR 121 CO -0.00 0.87 0.17 -0.07 -1.05 0.00 0.00 178.16 178.09 1fdr h LEU 122 N 0.69 0.82 0.15 3.88 3.38 -0.83 -0.34 115.31 123.07 1fdr h LEU 122 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1fdr h LEU 122 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1fdr h LEU 122 CO 0.03 0.78 -0.07 -1.28 0.09 0.00 0.00 178.44 177.98 1fdr h SER 123 N 0.86 -0.17 -0.43 -0.43 0.87 -1.02 -0.89 113.55 112.33 1fdr h SER 123 Ca 0.19 -0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1fdr h SER 123 Cb 0.26 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 1fdr h SER 123 CO -0.01 -0.02 0.10 0.40 -0.53 0.00 0.00 176.83 176.77 1fdr h ILE 124 N -0.32 0.78 0.00 2.23 2.04 -1.06 -1.57 117.51 119.62 1fdr h ILE 124 Ca -0.02 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1fdr h ILE 124 Cb 0.26 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1fdr h ILE 124 CO 0.03 0.04 -0.29 -0.07 0.00 0.00 0.00 178.15 177.87 1fdr h LEU 125 N 0.23 0.00 -0.10 1.44 3.38 -1.05 -0.80 115.31 118.42 1fdr h LEU 125 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1fdr h LEU 125 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1fdr h LEU 125 CO -0.27 0.29 -0.77 0.03 0.09 0.00 0.00 178.44 177.81 1fdr h ARG 126 N 0.00 0.70 -0.08 1.13 3.08 -0.75 -3.23 114.38 115.23 1fdr h ARG 126 Ca -0.00 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.41 1fdr h ARG 126 Cb 0.99 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 1fdr h ARG 126 CO 0.04 1.23 -0.01 1.25 -1.07 0.00 0.00 179.97 181.40 1fdr h LEU 127 N 0.39 0.14 1.15 3.04 5.85 -1.17 -3.48 115.31 121.22 1fdr h LEU 127 Ca -0.07 -0.34 -0.20 0.00 0.84 0.00 0.00 57.88 58.11 1fdr h LEU 127 Cb 1.42 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1fdr h LEU 127 CO 0.16 0.45 -0.23 0.61 -0.34 0.00 0.00 178.44 179.08 1fdr n GLY 128 N -0.19 0.28 3.85 3.75 0.00 -0.32 -5.03 105.19 107.54 1fdr n GLY 128 Ca -0.07 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1fdr n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdr s LYS 129 N -4.04 3.08 -1.79 1.61 -0.14 -1.26 -4.53 119.74 112.67 1fdr s LYS 129 Ca 0.00 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1fdr s LYS 129 Cb 0.00 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 1fdr s LYS 129 CO 0.00 0.50 0.00 -0.25 -0.76 0.00 0.00 175.35 174.84 1fdr n ASP 130 N -0.39 -5.69 -0.16 2.83 8.00 -1.26 -4.89 116.55 114.99 1fdr n ASP 130 Ca -0.08 0.07 0.08 0.00 0.71 0.00 0.00 54.79 55.57 1fdr n ASP 130 Cb 0.54 -4.76 -0.06 0.00 -0.02 0.00 0.00 41.12 36.83 1fdr n ASP 130 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fdr n LEU 131 N -2.79 1.17 0.27 0.64 4.77 -1.26 -4.42 117.00 115.38 1fdr n LEU 131 Ca -0.23 -0.60 0.12 0.00 -0.03 0.00 0.00 56.01 55.27 1fdr n LEU 131 Cb 0.68 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.52 1fdr n LEU 131 CO 0.28 0.25 1.02 0.44 -1.33 0.00 0.00 177.39 178.05 1fdr h ASP 132 N 0.77 0.00 0.53 -1.43 3.32 -1.92 -1.93 116.42 115.76 1fdr h ASP 132 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fdr h ASP 132 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1fdr h ASP 132 CO 0.00 0.08 0.00 -2.11 -1.72 0.00 0.00 179.24 175.49 1fdr n ARG 133 N -3.84 0.18 -4.43 3.56 1.85 -1.26 -4.65 116.66 108.06 1fdr n ARG 133 Ca -0.02 0.11 -0.34 0.00 -1.00 0.00 0.00 57.85 56.59 1fdr n ARG 133 Cb 0.18 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.98 1fdr n ARG 133 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1fdr s PHE 134 N -2.75 3.06 0.02 2.89 0.08 -0.73 -4.61 117.98 115.95 1fdr s PHE 134 Ca 0.16 -0.01 -0.18 0.00 0.12 0.00 0.00 56.93 57.02 1fdr s PHE 134 Cb 0.14 -1.83 -0.27 0.00 -0.57 0.00 0.00 43.02 40.49 1fdr s PHE 134 CO 0.35 0.26 1.08 -0.22 -0.10 0.00 0.00 175.22 176.58 1fdr h LYS 135 N 5.75 0.51 -5.91 0.44 3.64 -1.38 -3.46 116.57 116.17 1fdr h LYS 135 Ca -0.43 -0.64 -0.57 0.00 -1.27 0.00 0.00 60.65 57.73 1fdr h LYS 135 Cb 1.19 0.20 -0.28 0.00 -0.41 0.00 0.00 32.23 32.93 1fdr h LYS 135 CO 0.57 1.26 -0.84 -0.80 -2.27 0.00 0.00 179.45 177.37 1fdr s ASN 136 N -7.11 2.30 -0.08 4.20 0.01 0.73 -4.84 114.94 110.15 1fdr s ASN 136 Ca -0.11 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.66 1fdr s ASN 136 Cb 0.04 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1fdr s ASN 136 CO 0.88 0.20 -0.21 -0.76 -1.51 0.00 0.00 177.10 175.70 1fdr s LEU 137 N -0.73 1.98 -0.12 0.60 1.43 -0.47 -0.63 118.68 120.76 1fdr s LEU 137 Ca 0.07 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1fdr s LEU 137 Cb -0.08 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.91 1fdr s LEU 137 CO 0.00 0.15 -0.15 -0.69 0.23 0.00 0.00 176.35 175.89 1fdr s VAL 138 N 0.30 1.50 -0.22 -1.59 1.01 0.27 -0.78 120.40 120.88 1fdr s VAL 138 Ca -0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1fdr s VAL 138 Cb -0.16 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1fdr s VAL 138 CO 0.07 0.44 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 1fdr s LEU 139 N 1.10 2.77 -0.19 3.92 2.96 0.39 0.71 118.68 130.35 1fdr s LEU 139 Ca -0.04 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1fdr s LEU 139 Cb -0.14 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1fdr s LEU 139 CO -0.03 -0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.09 1fdr s VAL 140 N 1.38 2.32 -0.20 1.68 1.01 0.45 -1.24 120.40 125.81 1fdr s VAL 140 Ca 0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1fdr s VAL 140 Cb -0.15 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1fdr s VAL 140 CO -0.06 0.52 -0.10 -2.28 0.00 0.00 0.00 175.10 173.18 1fdr s HIS 141 N 1.29 2.89 -0.10 5.22 2.46 -0.65 -1.26 115.29 125.15 1fdr s HIS 141 Ca 0.04 -1.11 -0.01 0.00 0.47 0.00 0.00 55.06 54.45 1fdr s HIS 141 Cb -0.13 -2.03 -0.03 0.00 -0.13 0.00 0.00 32.58 30.26 1fdr s HIS 141 CO -0.10 -0.59 -0.04 0.00 -2.47 0.00 0.00 174.74 171.54 1fdr s ALA 142 N 1.32 3.09 0.30 1.58 0.00 -0.25 -1.08 121.76 126.72 1fdr s ALA 142 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1fdr s ALA 142 Cb -0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1fdr s ALA 142 CO -0.05 0.49 0.42 0.00 0.00 0.00 0.00 175.76 176.62 1fdr s ALA 143 N -0.54 0.58 0.04 0.00 0.00 -0.48 -0.87 121.76 120.48 1fdr s ALA 143 Ca 0.09 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 1fdr s ALA 143 Cb -0.12 1.17 -0.25 0.00 0.00 0.00 0.00 23.12 23.92 1fdr s ALA 143 CO 0.02 -0.78 1.12 0.00 0.00 0.00 0.00 175.76 176.12 1fdr h ARG 144 N 2.22 0.55 -5.15 0.00 3.08 -1.95 -2.02 114.38 111.12 1fdr h ARG 144 Ca -0.29 -0.64 -0.35 0.00 0.07 0.00 0.00 59.98 58.77 1fdr h ARG 144 Cb 1.24 0.19 -0.17 0.00 0.08 0.00 0.00 29.97 31.32 1fdr h ARG 144 CO 0.40 1.25 -0.73 0.71 -1.07 0.00 0.00 179.97 180.53 1fdr s TYR 145 N -3.15 1.26 0.44 3.04 2.02 -1.26 -1.04 117.35 118.65 1fdr s TYR 145 Ca -0.11 -0.67 0.10 0.00 -0.37 0.00 0.00 57.07 56.03 1fdr s TYR 145 Cb 0.05 -0.65 0.96 0.00 -0.40 0.00 0.00 41.96 41.92 1fdr s TYR 145 CO 0.88 0.08 2.05 0.00 -1.57 0.00 0.00 175.55 176.99 1fdr h ALA 146 N 3.21 1.74 0.00 3.71 0.00 -1.94 -0.57 119.26 125.41 1fdr h ALA 146 Ca -0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1fdr h ALA 146 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fdr h ALA 146 CO 0.57 0.21 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1fdr h ALA 147 N 1.79 1.00 -0.00 0.00 0.00 -2.01 -2.65 119.26 117.39 1fdr h ALA 147 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fdr h ALA 147 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fdr h ALA 147 CO -0.01 0.00 -0.09 -0.25 0.00 0.00 0.00 179.25 178.90 1fdr n ASP 148 N -2.87 0.49 -3.96 0.00 8.00 -0.22 -4.51 116.55 113.48 1fdr n ASP 148 Ca -0.00 -0.66 -0.43 0.00 0.71 0.00 0.00 54.79 54.41 1fdr n ASP 148 Cb 0.21 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1fdr n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fdr n LEU 149 N -0.89 6.39 -0.04 0.64 4.77 -1.00 -4.78 117.00 122.08 1fdr n LEU 149 Ca 0.15 -4.40 0.02 0.00 -0.03 0.00 0.00 56.01 51.76 1fdr n LEU 149 Cb 0.27 -1.58 0.36 0.00 -2.33 0.00 0.00 43.42 40.15 1fdr n LEU 149 CO 0.23 1.11 1.13 0.28 -1.33 0.00 0.00 177.39 178.81 1fdr h SER 150 N 6.16 0.55 -0.59 -1.43 0.02 -1.87 -2.75 113.55 113.64 1fdr h SER 150 Ca 0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1fdr h SER 150 Cb 0.68 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1fdr h SER 150 CO 1.65 0.44 0.00 -1.22 -1.14 0.00 0.00 176.83 176.56 1fdr n TYR 151 N -4.43 1.59 -0.25 3.45 4.01 -1.26 -4.56 117.16 115.72 1fdr n TYR 151 Ca 0.04 -0.60 0.03 0.00 -0.16 0.00 0.00 57.90 57.20 1fdr n TYR 151 Cb 0.09 -0.32 0.15 0.00 -0.31 0.00 0.00 39.34 38.95 1fdr n TYR 151 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1fdr h LEU 152 N 3.83 0.40 -0.81 7.72 5.85 -1.90 0.17 115.31 130.58 1fdr h LEU 152 Ca 0.00 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1fdr h LEU 152 Cb 1.55 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.54 1fdr h LEU 152 CO 0.30 0.21 0.50 -0.65 -0.34 0.00 0.00 178.44 178.46 1fdr h PRO 153 N 0.55 0.90 -0.21 5.25 0.11 -1.85 -0.38 132.00 136.37 1fdr h PRO 153 Ca 0.37 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 1fdr h PRO 153 Cb 0.45 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1fdr h PRO 153 CO -0.31 0.60 0.04 1.25 -0.21 0.00 0.00 178.00 179.37 1fdr h LEU 154 N 0.93 0.32 -1.09 2.35 5.85 -1.47 -1.72 115.31 120.49 1fdr h LEU 154 Ca 0.34 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1fdr h LEU 154 Cb 0.12 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1fdr h LEU 154 CO -0.15 0.48 0.62 0.24 -0.34 0.00 0.00 178.44 179.28 1fdr h MET 155 N 0.15 0.98 -0.54 1.25 2.86 -0.47 -0.33 114.93 118.82 1fdr h MET 155 Ca 0.06 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1fdr h MET 155 Cb 0.29 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1fdr h MET 155 CO 0.00 0.65 0.06 1.96 1.06 0.00 0.00 176.91 180.63 1fdr h GLN 156 N 1.01 0.91 -0.44 1.72 4.20 -0.66 -0.40 115.11 121.46 1fdr h GLN 156 Ca 0.44 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 1fdr h GLN 156 Cb 0.36 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1fdr h GLN 156 CO -0.20 0.90 -0.08 0.93 -0.67 0.00 0.00 178.83 179.71 1fdr h GLU 157 N 0.79 0.76 -0.46 1.46 4.39 -0.41 -2.50 114.58 118.63 1fdr h GLU 157 Ca 0.16 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1fdr h GLU 157 Cb 0.45 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1fdr h GLU 157 CO 0.02 0.83 0.09 -0.07 -1.16 0.00 0.00 179.01 178.71 1fdr h LEU 158 N 0.70 0.72 -0.59 1.33 3.38 -0.77 -0.62 115.31 119.45 1fdr h LEU 158 Ca 0.12 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1fdr h LEU 158 Cb 0.54 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1fdr h LEU 158 CO 0.03 0.79 0.33 -0.08 0.09 0.00 0.00 178.44 179.60 1fdr h GLU 159 N 0.62 0.61 -0.32 1.13 4.81 -0.89 -0.12 114.58 120.43 1fdr h GLU 159 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1fdr h GLU 159 Cb 0.37 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1fdr h GLU 159 CO 0.01 0.41 0.17 0.87 -0.73 0.00 0.00 179.01 179.73 1fdr h LYS 160 N 0.63 0.46 -0.61 1.92 1.57 -1.16 -2.86 116.57 116.52 1fdr h LYS 160 Ca 0.25 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1fdr h LYS 160 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1fdr h LYS 160 CO -0.15 0.40 0.41 -0.09 -0.57 0.00 0.00 179.45 179.45 1fdr h ARG 161 N 0.40 0.59 -0.01 3.15 2.43 -0.29 -1.98 114.38 118.67 1fdr h ARG 161 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1fdr h ARG 161 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1fdr h ARG 161 CO -0.02 0.39 -0.04 0.66 -1.51 0.00 0.00 179.97 179.46 1fdr n TYR 162 N -4.47 0.00 -4.10 2.20 4.02 -0.14 -4.96 117.16 109.72 1fdr n TYR 162 Ca 0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.68 1fdr n TYR 162 Cb 0.22 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1fdr n TYR 162 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1fdr n GLU 163 N -0.27 -2.92 0.00 -0.72 1.02 -0.74 -1.63 120.64 115.38 1fdr n GLU 163 Ca 0.19 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1fdr n GLU 163 Cb 0.30 -4.60 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 1fdr n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fdr n GLY 164 N -1.86 2.22 0.27 0.62 0.00 -1.25 -4.90 105.19 100.28 1fdr n GLY 164 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1fdr n GLY 164 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fdr h LYS 165 N 3.12 0.93 -5.58 1.61 3.64 -1.63 -3.42 116.57 115.24 1fdr h LYS 165 Ca 0.00 -0.46 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 1fdr h LYS 165 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1fdr h LYS 165 CO 0.00 1.12 -0.23 -1.17 -2.27 0.00 0.00 179.45 176.90 1fdr s LEU 166 N -8.90 4.24 -0.10 5.20 2.96 -1.26 -1.36 118.68 119.46 1fdr s LEU 166 Ca -0.11 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1fdr s LEU 166 Cb 0.12 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1fdr s LEU 166 CO 0.88 0.03 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.64 1fdr s ARG 167 N 0.67 3.02 0.07 1.98 0.52 0.04 -4.81 118.95 120.44 1fdr s ARG 167 Ca 0.21 -0.75 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 1fdr s ARG 167 Cb -0.14 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1fdr s ARG 167 CO 0.07 0.32 -0.17 0.96 0.02 0.00 0.00 175.30 176.50 1fdr s ILE 168 N 0.04 2.88 -0.13 1.52 -4.36 -1.26 -0.46 121.20 119.43 1fdr s ILE 168 Ca -0.06 -1.29 -0.10 0.00 -0.26 0.00 0.00 60.65 58.93 1fdr s ILE 168 Cb -0.15 -2.26 0.04 0.00 1.25 0.00 0.00 42.46 41.34 1fdr s ILE 168 CO 0.05 0.24 0.34 -1.58 0.24 0.00 0.00 174.94 174.23 1fdr s GLN 169 N -1.74 0.36 0.02 0.37 2.00 -0.37 -4.96 119.66 115.34 1fdr s GLN 169 Ca 0.16 0.55 0.04 0.00 -2.00 0.00 0.00 55.36 54.11 1fdr s GLN 169 Cb -0.11 0.09 -0.03 0.00 0.80 0.00 0.00 33.01 33.76 1fdr s GLN 169 CO 0.08 -0.09 -0.06 0.95 -0.50 0.00 0.00 175.29 175.66 1fdr s THR 170 N 0.64 3.67 -0.04 -0.34 -4.23 -1.26 -1.63 115.64 112.45 1fdr s THR 170 Ca -0.04 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1fdr s THR 170 Cb -0.05 -2.62 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1fdr s THR 170 CO -0.04 0.35 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.55 1fdr s VAL 171 N -1.04 1.24 -0.04 2.29 1.01 -0.24 -1.79 120.40 121.83 1fdr s VAL 171 Ca 0.18 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1fdr s VAL 171 Cb -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1fdr s VAL 171 CO 0.09 0.37 -0.15 0.68 0.00 0.00 0.00 175.10 176.09 1fdr s VAL 172 N 0.12 1.25 -0.28 2.92 -7.23 -0.25 -1.38 120.40 115.56 1fdr s VAL 172 Ca -0.04 -0.60 0.23 0.00 -1.81 0.00 0.00 61.98 59.75 1fdr s VAL 172 Cb -0.11 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1fdr s VAL 172 CO 0.02 0.37 1.01 -1.54 -0.31 0.00 0.00 175.10 174.64 1fdr n SER 173 N 3.31 0.73 -0.44 4.85 3.41 -0.76 -0.34 113.62 124.38 1fdr n SER 173 Ca -0.19 0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.70 1fdr n SER 173 Cb 0.53 0.61 0.06 0.00 -0.26 0.00 0.00 64.21 65.16 1fdr n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fdr n ARG 174 N -2.53 0.94 -3.93 4.33 5.12 -0.21 -4.56 116.66 115.82 1fdr n ARG 174 Ca -0.00 -1.30 -0.11 0.00 -1.93 0.00 0.00 57.85 54.52 1fdr n ARG 174 Cb 0.53 -1.20 -0.01 0.00 -1.16 0.00 0.00 32.46 30.62 1fdr n ARG 174 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1fdr s GLU 175 N -0.87 1.98 -0.24 5.56 -1.05 -1.26 -5.04 118.70 117.77 1fdr s GLU 175 Ca 0.14 -1.46 -0.06 0.00 -0.15 0.00 0.00 54.97 53.44 1fdr s GLU 175 Cb 0.09 0.54 -0.02 0.00 -0.44 0.00 0.00 34.13 34.30 1fdr s GLU 175 CO 0.13 -0.88 0.03 0.99 0.95 0.00 0.00 175.26 176.48 1fdr s THR 176 N -2.99 3.91 -0.06 1.83 2.01 -1.26 -4.75 115.64 114.32 1fdr s THR 176 Ca 0.21 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1fdr s THR 176 Cb -0.03 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.68 1fdr s THR 176 CO 0.13 0.35 -0.03 0.00 -0.69 0.00 0.00 174.62 174.38 1fdr s ALA 177 N 1.55 0.73 0.16 7.40 0.00 -1.26 -5.09 121.76 125.26 1fdr s ALA 177 Ca 0.06 -0.12 -0.34 0.00 0.00 0.00 0.00 51.96 51.56 1fdr s ALA 177 Cb -0.15 -0.58 -0.14 0.00 0.00 0.00 0.00 23.12 22.25 1fdr s ALA 177 CO 0.01 -0.21 1.54 0.00 0.00 0.00 0.00 175.76 177.10 1fdr n ALA 178 N 4.51 1.07 0.00 0.00 0.00 -1.26 -1.68 120.51 123.15 1fdr n ALA 178 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1fdr n ALA 178 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1fdr n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fdr n GLY 179 N 3.22 2.94 3.49 0.00 0.00 -1.26 -5.05 105.19 108.54 1fdr n GLY 179 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1fdr n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fdr s SER 180 N -0.66 3.70 0.26 1.61 0.01 -0.68 -4.53 113.70 113.41 1fdr s SER 180 Ca 0.00 -0.95 -0.14 0.00 1.31 0.00 0.00 55.95 56.17 1fdr s SER 180 Cb 0.00 -0.37 -0.08 0.00 0.21 0.00 0.00 66.02 65.78 1fdr s SER 180 CO 0.00 0.05 0.67 -0.76 0.41 0.00 0.00 173.24 173.61 1fdr s LEU 181 N -3.40 4.16 -0.28 2.44 1.43 -0.74 -4.64 118.68 117.65 1fdr s LEU 181 Ca 0.29 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1fdr s LEU 181 Cb -0.06 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1fdr s LEU 181 CO 0.15 -0.10 0.18 -0.89 0.23 0.00 0.00 176.35 175.92 1fdr s THR 182 N -1.81 5.13 -5.00 5.49 2.01 -1.26 -1.09 115.64 119.11 1fdr s THR 182 Ca 0.49 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1fdr s THR 182 Cb -0.12 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1fdr s THR 182 CO 0.19 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1fdr n GLY 183 N 5.04 -1.00 3.55 4.40 0.00 0.54 -4.93 105.19 112.79 1fdr n GLY 183 Ca -0.14 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1fdr n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fdr s ARG 184 N -2.00 2.37 0.19 1.61 0.52 -1.26 -3.39 118.95 116.99 1fdr s ARG 184 Ca 0.00 -0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 54.21 1fdr s ARG 184 Cb 0.00 -2.39 0.16 0.00 0.52 0.00 0.00 34.95 33.24 1fdr s ARG 184 CO 0.00 0.57 1.61 0.82 0.02 0.00 0.00 175.30 178.33 1fdr h ILE 185 N 3.76 0.30 -0.68 1.52 2.04 -1.98 -2.17 117.51 120.30 1fdr h ILE 185 Ca -0.48 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.45 1fdr h ILE 185 Cb 1.16 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1fdr h ILE 185 CO 0.52 0.00 0.37 -0.65 0.00 0.00 0.00 178.15 178.39 1fdr h PRO 186 N -0.10 0.65 -0.55 2.37 0.11 -1.95 -1.93 132.00 130.60 1fdr h PRO 186 Ca 0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 1fdr h PRO 186 Cb 0.50 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1fdr h PRO 186 CO -0.62 0.43 0.23 0.00 -0.21 0.00 0.00 178.00 177.84 1fdr h ALA 187 N 1.37 0.72 -0.06 -0.75 0.00 -1.83 -1.74 119.26 116.97 1fdr h ALA 187 Ca 0.31 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1fdr h ALA 187 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1fdr h ALA 187 CO -0.20 0.32 -0.35 -0.07 0.00 0.00 0.00 179.25 178.95 1fdr h LEU 188 N 0.75 0.12 0.12 0.00 3.38 -1.22 -0.91 115.31 117.54 1fdr h LEU 188 Ca 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1fdr h LEU 188 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1fdr h LEU 188 CO -0.02 0.46 -0.06 0.40 0.09 0.00 0.00 178.44 179.32 1fdr h ILE 189 N 0.10 1.08 -0.80 1.22 2.04 -1.13 -1.93 117.51 118.09 1fdr h ILE 189 Ca 0.01 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 64.95 1fdr h ILE 189 Cb 0.67 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 1fdr h ILE 189 CO 0.05 0.23 0.47 -0.08 0.00 0.00 0.00 178.15 178.82 1fdr h GLU 190 N -0.64 0.80 0.00 2.37 4.81 -1.13 -1.21 114.58 119.58 1fdr h GLU 190 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1fdr h GLU 190 Cb 0.50 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1fdr h GLU 190 CO 0.03 0.53 0.00 -1.13 -0.73 0.00 0.00 179.01 177.71 1fdr n SER 191 N -4.71 0.00 0.00 1.04 3.41 -0.36 -4.86 113.62 108.14 1fdr n SER 191 Ca 0.12 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1fdr n SER 191 Cb 0.22 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1fdr n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fdr n GLY 192 N 0.55 1.41 0.30 5.00 0.00 -0.46 -4.90 105.19 107.09 1fdr n GLY 192 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1fdr n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fdr h GLU 193 N 2.25 1.04 0.53 1.61 5.08 -1.70 -2.29 114.58 121.09 1fdr h GLU 193 Ca 0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1fdr h GLU 193 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1fdr h GLU 193 CO 0.00 1.08 -0.27 1.25 -1.00 0.00 0.00 179.01 180.07 1fdr h LEU 194 N 0.92 -0.66 -0.83 1.33 5.85 -1.67 -0.44 115.31 119.82 1fdr h LEU 194 Ca 0.14 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1fdr h LEU 194 Cb 0.69 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1fdr h LEU 194 CO 0.05 -0.45 0.53 -0.33 -0.34 0.00 0.00 178.44 177.90 1fdr h GLU 195 N -0.74 1.02 -0.32 1.25 5.08 -1.80 0.42 114.58 119.49 1fdr h GLU 195 Ca -0.07 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1fdr h GLU 195 Cb 0.58 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1fdr h GLU 195 CO 0.10 0.67 0.05 0.77 -1.00 0.00 0.00 179.01 179.61 1fdr h SER 196 N 1.05 0.51 -0.28 1.42 0.02 -1.40 0.86 113.55 115.72 1fdr h SER 196 Ca 0.33 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1fdr h SER 196 Cb -0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1fdr h SER 196 CO -0.11 0.64 -0.17 0.74 -1.14 0.00 0.00 176.83 176.80 1fdr h THR 197 N 0.36 1.30 -0.02 -2.27 2.02 -0.63 -3.16 112.91 110.50 1fdr h THR 197 Ca 0.10 -1.29 -0.13 0.00 0.77 0.00 0.00 66.41 65.86 1fdr h THR 197 Cb 0.35 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1fdr h THR 197 CO 0.01 0.41 -0.60 0.40 0.37 0.00 0.00 175.52 176.10 1fdr h ILE 198 N 0.36 1.42 0.00 3.11 2.04 -0.02 -3.48 117.51 120.94 1fdr h ILE 198 Ca 0.06 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.88 1fdr h ILE 198 Cb 0.70 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1fdr h ILE 198 CO 0.05 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.40 1fdr n GLY 199 N 0.23 0.96 3.20 5.37 0.00 0.29 -5.05 105.19 110.18 1fdr n GLY 199 Ca -0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1fdr n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fdr s LEU 200 N 0.00 0.74 0.54 0.99 1.43 -0.88 -5.02 118.68 116.48 1fdr s LEU 200 Ca 0.00 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 1fdr s LEU 200 Cb 0.00 1.07 -0.05 0.00 0.03 0.00 0.00 46.19 47.24 1fdr s LEU 200 CO 0.00 -0.12 0.94 -2.16 0.23 0.00 0.00 176.35 175.25 1fdr s PRO 201 N 0.26 3.72 -0.36 1.29 0.04 -1.26 -4.53 135.00 134.16 1fdr s PRO 201 Ca -0.01 0.69 0.01 0.00 0.04 0.00 0.00 61.00 61.73 1fdr s PRO 201 Cb -0.03 -2.18 0.10 0.00 0.04 0.00 0.00 34.50 32.43 1fdr s PRO 201 CO -0.00 -0.35 0.10 1.41 0.04 0.00 0.00 177.00 178.19 1fdr s MET 202 N -4.60 1.76 0.18 4.56 1.75 -1.26 -4.83 119.30 116.86 1fdr s MET 202 Ca 0.54 -1.80 -0.06 0.00 -1.25 0.00 0.00 55.69 53.13 1fdr s MET 202 Cb -0.10 -3.33 -0.02 0.00 2.84 0.00 0.00 34.83 34.21 1fdr s MET 202 CO 0.43 -0.95 0.22 0.54 -0.65 0.00 0.00 175.02 174.60 1fdr s ASN 203 N 1.27 0.11 0.53 1.11 2.20 -1.26 -5.02 114.94 113.88 1fdr s ASN 203 Ca 0.08 -1.10 0.35 0.00 -0.94 0.00 0.00 52.86 51.26 1fdr s ASN 203 Cb -0.20 0.41 1.75 0.00 -2.00 0.00 0.00 41.25 41.21 1fdr s ASN 203 CO -0.06 -0.88 2.07 0.07 -2.94 0.00 0.00 177.10 175.36 1fdr h LYS 204 N 2.60 0.00 0.02 3.55 2.10 -1.85 -0.17 116.57 122.82 1fdr h LYS 204 Ca -0.33 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.11 1fdr h LYS 204 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1fdr h LYS 204 CO 0.50 0.00 -1.02 0.93 -2.00 0.00 0.00 179.45 177.86 1fdr h GLU 205 N 0.00 0.05 0.00 0.07 3.07 -1.96 -3.39 114.58 112.42 1fdr h GLU 205 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1fdr h GLU 205 Cb 0.19 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1fdr h GLU 205 CO 0.00 1.02 -0.47 0.25 -1.40 0.00 0.00 179.01 178.41 1fdr n THR 206 N -3.40 0.00 -4.39 1.13 -2.24 -0.98 -4.84 114.28 99.56 1fdr n THR 206 Ca -0.01 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1fdr n THR 206 Cb 0.94 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.75 1fdr n THR 206 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1fdr s SER 207 N -1.37 3.45 -0.04 3.42 0.01 -0.11 -1.11 113.70 117.95 1fdr s SER 207 Ca 0.00 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.56 1fdr s SER 207 Cb 0.00 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1fdr s SER 207 CO 0.00 0.16 -0.22 -2.28 0.41 0.00 0.00 173.24 171.31 1fdr s HIS 208 N -1.27 2.06 -0.15 2.43 2.46 -0.83 -4.72 115.29 115.28 1fdr s HIS 208 Ca 0.17 -0.53 0.01 0.00 0.47 0.00 0.00 55.06 55.18 1fdr s HIS 208 Cb -0.09 -1.35 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 1fdr s HIS 208 CO 0.08 -0.13 -0.18 0.08 -2.47 0.00 0.00 174.74 172.12 1fdr s VAL 209 N -0.24 2.47 -0.19 0.89 1.01 0.10 -0.88 120.40 123.56 1fdr s VAL 209 Ca 0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1fdr s VAL 209 Cb -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1fdr s VAL 209 CO 0.02 0.53 0.07 -0.04 0.00 0.00 0.00 175.10 175.67 1fdr s MET 210 N 0.78 3.98 -0.07 2.72 -1.94 0.10 -0.60 119.30 124.26 1fdr s MET 210 Ca -0.07 -0.34 0.03 0.00 -1.71 0.00 0.00 55.69 53.60 1fdr s MET 210 Cb -0.16 -3.24 0.01 0.00 2.01 0.00 0.00 34.83 33.45 1fdr s MET 210 CO 0.00 0.24 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.58 1fdr s LEU 211 N 0.45 1.82 -0.03 -0.03 1.43 0.60 -0.90 118.68 122.02 1fdr s LEU 211 Ca 0.04 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1fdr s LEU 211 Cb -0.12 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1fdr s LEU 211 CO 0.00 0.09 0.08 0.00 0.23 0.00 0.00 176.35 176.75 1fdr n GLY 213 N 3.56 0.35 3.68 0.00 0.00 -0.56 -2.59 105.19 109.63 1fdr n GLY 213 Ca -0.19 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1fdr n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fdr s ASN 214 N -4.00 6.56 0.50 1.61 3.84 -1.26 -1.28 114.94 120.91 1fdr s ASN 214 Ca 0.00 2.51 0.16 0.00 0.21 0.00 0.00 52.86 55.74 1fdr s ASN 214 Cb 0.00 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.37 1fdr s ASN 214 CO 0.00 -0.95 2.11 1.55 -2.79 0.00 0.00 177.10 177.02 1fdr h PRO 215 N 9.15 0.09 -0.18 0.43 0.13 -1.96 -2.13 132.00 137.54 1fdr h PRO 215 Ca -0.44 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1fdr h PRO 215 Cb 1.21 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1fdr h PRO 215 CO 0.94 0.06 -0.01 0.37 -0.23 0.00 0.00 178.00 179.13 1fdr h GLN 216 N 0.09 0.33 -0.06 0.86 5.75 -1.94 0.11 115.11 120.25 1fdr h GLN 216 Ca 0.06 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1fdr h GLN 216 Cb 0.14 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1fdr h GLN 216 CO -0.01 0.56 -0.09 1.98 -2.65 0.00 0.00 178.83 178.62 1fdr h MET 217 N 0.07 -0.13 0.16 1.69 4.05 -1.79 0.10 114.93 119.08 1fdr h MET 217 Ca 0.05 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1fdr h MET 217 Cb 0.42 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1fdr h MET 217 CO 0.01 -0.08 -0.29 0.28 0.23 0.00 0.00 176.91 177.06 1fdr h VAL 218 N -0.13 0.38 -0.46 -5.77 2.07 -1.30 0.67 116.25 111.71 1fdr h VAL 218 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1fdr h VAL 218 Cb 0.21 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1fdr h VAL 218 CO -0.13 0.00 0.28 0.03 0.02 0.00 0.00 177.57 177.77 1fdr h ARG 219 N -0.53 0.63 -0.25 1.57 3.08 -0.58 -0.28 114.38 118.02 1fdr h ARG 219 Ca 0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1fdr h ARG 219 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1fdr h ARG 219 CO -0.14 0.46 0.14 -0.44 -1.07 0.00 0.00 179.97 178.92 1fdr h ASP 220 N 0.62 0.31 -0.85 7.04 3.32 -0.40 -1.15 116.42 125.30 1fdr h ASP 220 Ca 0.17 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1fdr h ASP 220 Cb -0.01 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1fdr h ASP 220 CO -0.03 0.29 0.42 0.74 -1.72 0.00 0.00 179.24 178.94 1fdr h THR 221 N 0.30 1.26 -0.56 0.35 2.02 -0.70 -0.93 112.91 114.65 1fdr h THR 221 Ca 0.09 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 1fdr h THR 221 Cb 0.05 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1fdr h THR 221 CO -0.01 0.31 -0.09 1.56 0.37 0.00 0.00 175.52 177.65 1fdr h GLN 222 N 1.20 1.04 -0.52 6.66 4.20 -0.84 -0.62 115.11 126.23 1fdr h GLN 222 Ca 0.29 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 1fdr h GLN 222 Cb 0.10 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1fdr h GLN 222 CO -0.04 1.07 -0.08 0.37 -0.67 0.00 0.00 178.83 179.48 1fdr h GLN 223 N 0.93 0.98 -0.33 1.46 4.15 -0.87 -1.78 115.11 119.65 1fdr h GLN 223 Ca 0.15 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 1fdr h GLN 223 Cb 0.66 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1fdr h GLN 223 CO 0.05 1.03 0.05 1.25 -1.93 0.00 0.00 178.83 179.28 1fdr h LEU 224 N 0.85 0.52 -1.44 -2.39 5.85 -1.06 -2.03 115.31 115.60 1fdr h LEU 224 Ca 0.14 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1fdr h LEU 224 Cb 0.64 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1fdr h LEU 224 CO 0.04 0.64 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.44 1fdr h LEU 225 N 0.37 0.00 0.00 2.25 4.07 -0.98 -0.52 115.31 120.51 1fdr h LEU 225 Ca 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1fdr h LEU 225 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1fdr h LEU 225 CO 0.01 0.28 -0.00 0.50 -1.08 0.00 0.00 178.44 178.14 1fdr h LYS 226 N 0.00 -0.00 -0.25 1.13 3.64 -1.16 -0.98 116.57 118.95 1fdr h LYS 226 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1fdr h LYS 226 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1fdr h LYS 226 CO 0.04 0.70 0.01 0.93 -2.27 0.00 0.00 179.45 178.85 1fdr h GLU 227 N -0.71 0.44 0.00 1.90 5.08 -1.22 -2.35 114.58 117.71 1fdr h GLU 227 Ca -0.00 -0.13 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 1fdr h GLU 227 Cb 0.70 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1fdr h GLU 227 CO 0.00 0.60 -2.04 0.25 -1.00 0.00 0.00 179.01 176.83 1fdr n THR 228 N -4.64 1.03 0.14 1.13 -2.24 -0.21 -4.46 114.28 105.02 1fdr n THR 228 Ca -0.03 -0.73 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1fdr n THR 228 Cb 0.23 -0.45 0.04 0.00 -2.10 0.00 0.00 70.33 68.06 1fdr n THR 228 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fdr n ARG 229 N -2.68 0.86 -2.64 -0.78 5.12 -0.49 -4.99 116.66 111.06 1fdr n ARG 229 Ca -0.20 -1.17 -0.19 0.00 -1.93 0.00 0.00 57.85 54.36 1fdr n ARG 229 Cb 0.94 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 1fdr n ARG 229 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1fdr n GLN 230 N 0.25 -2.71 -3.40 5.56 3.00 -0.78 -4.36 117.38 114.93 1fdr n GLN 230 Ca 0.04 0.84 -0.32 0.00 -0.01 0.00 0.00 57.00 57.56 1fdr n GLN 230 Cb 0.22 -5.54 -0.05 0.00 0.00 0.00 0.00 30.24 24.86 1fdr n GLN 230 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1fdr s MET 231 N -5.28 3.78 0.19 -1.09 -1.94 -0.50 -4.92 119.30 109.55 1fdr s MET 231 Ca 0.10 0.25 0.08 0.00 -1.71 0.00 0.00 55.69 54.41 1fdr s MET 231 Cb -0.05 -2.64 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 1fdr s MET 231 CO 0.13 0.30 -0.15 0.95 -0.01 0.00 0.00 175.02 176.24 1fdr s THR 232 N -1.85 1.75 0.17 2.05 -4.23 -1.26 -3.73 115.64 108.53 1fdr s THR 232 Ca 0.47 -2.13 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 1fdr s THR 232 Cb -0.11 -1.98 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 1fdr s THR 232 CO 0.22 -0.52 1.39 -0.54 -0.54 0.00 0.00 174.62 174.63 1fdr s LYS 233 N -3.41 4.32 -0.08 3.99 1.02 -1.26 -0.08 119.74 124.24 1fdr s LYS 233 Ca 0.20 2.13 -0.23 0.00 0.02 0.00 0.00 55.97 58.10 1fdr s LYS 233 Cb -0.02 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1fdr s LYS 233 CO 0.07 -0.39 0.67 -1.58 -0.92 0.00 0.00 175.35 173.20 1fdr s HIS 234 N 0.60 3.56 0.10 3.18 5.65 0.13 -4.39 115.29 124.12 1fdr s HIS 234 Ca 0.62 1.19 0.05 0.00 0.25 0.00 0.00 55.06 57.16 1fdr s HIS 234 Cb -0.38 -2.78 -0.03 0.00 -1.18 0.00 0.00 32.58 28.21 1fdr s HIS 234 CO 0.35 0.08 -0.13 -0.51 -0.65 0.00 0.00 174.74 173.88 1fdr s LEU 235 N 0.86 2.35 0.29 8.88 1.43 0.15 -4.82 118.68 127.83 1fdr s LEU 235 Ca 0.36 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1fdr s LEU 235 Cb -0.17 -0.47 0.46 0.00 0.03 0.00 0.00 46.19 46.04 1fdr s LEU 235 CO 0.17 -0.15 1.94 0.03 0.23 0.00 0.00 176.35 178.56 1fdr h ARG 236 N 3.83 1.08 -0.01 1.70 3.08 -1.97 -1.20 114.38 120.89 1fdr h ARG 236 Ca -0.39 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1fdr h ARG 236 Cb 1.19 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1fdr h ARG 236 CO 0.47 0.71 -0.03 2.89 -1.07 0.00 0.00 179.97 182.94 1fdr n ARG 237 N -4.44 1.14 -2.86 0.04 1.85 -1.26 -4.50 116.66 106.63 1fdr n ARG 237 Ca 0.12 -0.39 -0.01 0.00 -1.00 0.00 0.00 57.85 56.56 1fdr n ARG 237 Cb 0.10 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.03 1fdr n ARG 237 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1fdr s ARG 238 N -2.13 0.66 0.45 2.89 3.52 -0.51 -5.15 118.95 118.68 1fdr s ARG 238 Ca 0.39 -0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 55.28 1fdr s ARG 238 Cb 0.21 0.01 -0.11 0.00 -1.56 0.00 0.00 34.95 33.51 1fdr s ARG 238 CO 0.39 -0.86 0.81 -2.30 -0.81 0.00 0.00 175.30 172.52 1fdr n PRO 239 N 3.38 0.97 0.00 5.12 -0.02 -0.86 -0.67 135.00 142.92 1fdr n PRO 239 Ca 0.13 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1fdr n PRO 239 Cb 0.60 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1fdr n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fdr n GLY 240 N 1.45 4.21 0.00 -1.23 0.00 -1.26 -4.70 105.19 103.65 1fdr n GLY 240 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1fdr n GLY 240 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fdr n HIS 241 N 0.00 0.00 -4.67 1.61 8.25 0.89 -4.71 115.22 116.58 1fdr n HIS 241 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1fdr n HIS 241 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1fdr n HIS 241 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1fdr s MET 242 N -0.80 1.59 -0.07 -0.41 -1.94 -0.26 0.00 119.30 117.40 1fdr s MET 242 Ca 0.00 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.53 1fdr s MET 242 Cb 0.00 -1.37 0.00 0.00 2.01 0.00 0.00 34.83 35.47 1fdr s MET 242 CO 0.00 0.15 -0.18 0.99 -0.01 0.00 0.00 175.02 175.97 1fdr s THR 243 N 0.24 1.59 0.14 2.05 2.01 0.23 -0.70 115.64 121.21 1fdr s THR 243 Ca -0.07 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.24 1fdr s THR 243 Cb -0.12 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1fdr s THR 243 CO 0.02 0.46 -0.17 0.00 -0.69 0.00 0.00 174.62 174.23 1fdr s ALA 244 N 0.33 1.81 -0.28 7.40 0.00 -1.26 -0.29 121.76 129.47 1fdr s ALA 244 Ca -0.12 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 1fdr s ALA 244 Cb -0.15 -0.16 0.13 0.00 0.00 0.00 0.00 23.12 22.94 1fdr s ALA 244 CO 0.05 0.22 0.29 -2.00 0.00 0.00 0.00 175.76 174.32 1fdr s GLU 245 N -2.59 0.31 0.28 0.00 2.12 0.30 -4.96 118.70 114.18 1fdr s GLU 245 Ca 0.12 -0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.05 1fdr s GLU 245 Cb -0.06 -0.69 -0.09 0.00 0.26 0.00 0.00 34.13 33.54 1fdr s GLU 245 CO 0.05 -1.00 0.98 -1.01 -0.54 0.00 0.00 175.26 173.74 1fdr s HIS 246 N 2.36 3.77 -1.27 5.30 3.76 -1.26 -1.49 115.29 126.46 1fdr s HIS 246 Ca 0.09 1.82 0.26 0.00 -0.15 0.00 0.00 55.06 57.08 1fdr s HIS 246 Cb -0.14 -3.04 0.60 0.00 1.11 0.00 0.00 32.58 31.12 1fdr s HIS 246 CO -0.31 0.11 1.47 0.66 -0.85 0.00 0.00 174.74 175.82 1fdr n TYR 247 N 1.06 0.00 -0.92 1.40 4.02 -0.40 -4.84 117.16 117.48 1fdr n TYR 247 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1fdr n TYR 247 Cb 0.48 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1fdr n TYR 247 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18