#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngw n LEU 2 N 0.00 -0.18 -4.63 -1.84 4.32 -1.26 -4.74 117.00 108.67 1ngw n LEU 2 Ca 0.00 0.02 -0.43 0.00 -0.02 0.00 0.00 56.01 55.59 1ngw n LEU 2 Cb 0.00 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 41.70 1ngw n LEU 2 CO 0.00 -0.08 1.30 0.68 -1.22 0.00 0.00 177.39 178.07 1ngw s VAL 3 N -0.04 3.83 -0.56 4.08 -7.23 -1.26 -4.80 120.40 114.42 1ngw s VAL 3 Ca 0.00 0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 60.88 1ngw s VAL 3 Cb 0.00 -3.87 0.06 0.00 0.56 0.00 0.00 36.38 33.12 1ngw s VAL 3 CO 0.00 -0.38 0.84 -0.04 -0.31 0.00 0.00 175.10 175.20 1ngw s MET 4 N 4.58 3.21 -0.16 4.82 -1.94 -1.26 -3.15 119.30 125.40 1ngw s MET 4 Ca 0.67 -0.63 -0.18 0.00 -1.71 0.00 0.00 55.69 53.84 1ngw s MET 4 Cb -0.22 -4.12 -0.04 0.00 2.01 0.00 0.00 34.83 32.47 1ngw s MET 4 CO 0.28 -1.48 0.47 0.95 -0.01 0.00 0.00 175.02 175.23 1ngw s THR 5 N 3.51 5.17 -0.10 2.05 -4.23 0.01 -3.96 115.64 118.09 1ngw s THR 5 Ca 0.23 0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 61.61 1ngw s THR 5 Cb -0.16 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 1ngw s THR 5 CO 0.14 0.26 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.88 1ngw s GLN 6 N 1.09 3.14 -0.02 3.99 0.74 -1.26 -0.45 119.66 126.89 1ngw s GLN 6 Ca 0.24 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 1ngw s GLN 6 Cb -0.15 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.18 1ngw s GLN 6 CO 0.09 0.55 0.05 0.99 -0.55 0.00 0.00 175.29 176.42 1ngw s THR 7 N -0.47 0.02 0.27 -0.34 2.01 0.01 -4.56 115.64 112.57 1ngw s THR 7 Ca 0.08 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1ngw s THR 7 Cb -0.12 -0.13 0.06 0.00 0.01 0.00 0.00 72.50 72.33 1ngw s THR 7 CO 0.02 -0.07 0.36 -0.81 -0.69 0.00 0.00 174.62 173.43 1ngw n PRO 8 N 2.81 -0.32 0.01 4.92 -0.04 -1.26 -1.19 135.00 139.93 1ngw n PRO 8 Ca -0.14 -0.58 -0.20 0.00 -0.04 0.00 0.00 63.50 62.53 1ngw n PRO 8 Cb 0.59 -0.37 -0.14 0.00 -0.04 0.00 0.00 33.50 33.54 1ngw n PRO 8 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ngw h LYS 9 N 0.00 0.25 -3.29 0.54 1.63 -1.84 -3.41 116.57 110.46 1ngw h LYS 9 Ca -0.12 -0.43 -0.42 0.00 -0.85 0.00 0.00 60.65 58.83 1ngw h LYS 9 Cb 0.33 0.16 -0.40 0.00 -0.60 0.00 0.00 32.23 31.72 1ngw h LYS 9 CO 0.09 1.17 -0.75 -0.06 -3.45 0.00 0.00 179.45 176.44 1ngw s PHE 10 N -2.56 0.25 0.53 1.91 0.40 -1.26 -1.93 117.98 115.31 1ngw s PHE 10 Ca -0.20 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 1ngw s PHE 10 Cb 0.07 -0.63 0.05 0.00 0.51 0.00 0.00 43.02 43.02 1ngw s PHE 10 CO 0.78 -0.35 0.44 -0.12 0.70 0.00 0.00 175.22 176.67 1ngw n MET 11 N 5.26 0.70 -3.15 0.44 1.56 -0.85 -4.97 117.12 116.10 1ngw n MET 11 Ca -0.05 -3.27 0.05 0.00 -0.27 0.00 0.00 57.70 54.15 1ngw n MET 11 Cb 0.49 0.29 -0.01 0.00 2.15 0.00 0.00 33.22 36.14 1ngw n MET 11 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1ngw s SER 12 N -4.15 -0.69 0.51 6.12 0.15 -1.26 -3.41 113.70 110.97 1ngw s SER 12 Ca 0.33 0.30 0.03 0.00 0.70 0.00 0.00 55.95 57.32 1ngw s SER 12 Cb -0.03 1.52 -0.00 0.00 -1.71 0.00 0.00 66.02 65.81 1ngw s SER 12 CO 0.21 -0.13 0.16 0.42 1.20 0.00 0.00 173.24 175.11 1ngw s THR 13 N 2.93 1.47 0.26 6.45 -4.23 -1.21 -4.80 115.64 116.52 1ngw s THR 13 Ca 0.10 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1ngw s THR 13 Cb -0.09 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1ngw s THR 13 CO -0.17 0.00 0.24 -0.89 -0.54 0.00 0.00 174.62 173.26 1ngw s THR 14 N -2.81 4.52 0.08 3.99 2.01 -1.26 -0.66 115.64 121.52 1ngw s THR 14 Ca 0.20 -1.32 -0.31 0.00 0.31 0.00 0.00 61.69 60.58 1ngw s THR 14 Cb 0.01 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1ngw s THR 14 CO 0.12 -0.33 1.85 -0.69 -0.69 0.00 0.00 174.62 174.88 1ngw s VAL 15 N -2.12 2.78 0.00 3.82 1.01 -1.26 -1.31 120.40 123.32 1ngw s VAL 15 Ca 0.34 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1ngw s VAL 15 Cb -0.08 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1ngw s VAL 15 CO 0.26 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1ngw n GLY 16 N 4.31 2.42 3.89 4.51 0.00 0.43 -4.96 105.19 115.79 1ngw n GLY 16 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ngw n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ngw s ASP 17 N -1.35 4.43 0.05 1.61 2.15 -0.43 -4.51 116.67 118.62 1ngw s ASP 17 Ca 0.00 0.80 0.04 0.00 0.43 0.00 0.00 52.55 53.82 1ngw s ASP 17 Cb 0.00 -1.31 -0.04 0.00 -0.30 0.00 0.00 42.92 41.28 1ngw s ASP 17 CO 0.00 -1.96 -0.01 0.00 -0.17 0.00 0.00 175.17 173.04 1ngw s ARG 18 N -5.55 2.63 -0.02 4.34 1.70 -1.26 -1.33 118.95 119.46 1ngw s ARG 18 Ca 0.62 -0.75 0.05 0.00 -0.47 0.00 0.00 55.73 55.18 1ngw s ARG 18 Cb -0.11 -2.58 -0.03 0.00 -0.57 0.00 0.00 34.95 31.66 1ngw s ARG 18 CO 0.49 0.57 -0.17 0.08 -1.08 0.00 0.00 175.30 175.20 1ngw s VAL 19 N -1.20 2.83 -0.08 4.99 1.01 -0.55 -4.94 120.40 122.45 1ngw s VAL 19 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ngw s VAL 19 Cb -0.12 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1ngw s VAL 19 CO 0.14 0.52 -0.07 -0.44 0.00 0.00 0.00 175.10 175.25 1ngw s SER 20 N -0.91 1.75 -0.08 3.32 0.01 -1.26 -1.50 113.70 115.03 1ngw s SER 20 Ca 0.12 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.18 1ngw s SER 20 Cb -0.10 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1ngw s SER 20 CO 0.02 -0.07 -0.19 -0.63 0.41 0.00 0.00 173.24 172.77 1ngw s ILE 21 N 1.30 1.64 0.06 1.44 1.01 -0.49 -4.65 121.20 121.52 1ngw s ILE 21 Ca -0.04 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1ngw s ILE 21 Cb -0.14 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1ngw s ILE 21 CO -0.03 0.47 -0.08 -0.89 0.00 0.00 0.00 174.94 174.41 1ngw s THR 22 N 0.43 3.51 -0.08 2.92 2.01 -0.33 -0.31 115.64 123.79 1ngw s THR 22 Ca -0.16 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 1ngw s THR 22 Cb -0.17 -2.60 0.03 0.00 0.01 0.00 0.00 72.50 69.78 1ngw s THR 22 CO 0.06 0.22 0.04 0.00 -0.69 0.00 0.00 174.62 174.25 1ngw s LYS 24 N 2.06 3.29 0.48 0.00 1.02 0.40 -1.16 119.74 125.83 1ngw s LYS 24 Ca 0.04 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 1ngw s LYS 24 Cb -0.13 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1ngw s LYS 24 CO -0.05 0.68 0.71 0.00 -0.92 0.00 0.00 175.35 175.77 1ngw s ALA 25 N -0.77 3.69 -1.74 5.17 0.00 -0.02 -0.81 121.76 127.27 1ngw s ALA 25 Ca 0.13 -1.01 0.24 0.00 0.00 0.00 0.00 51.96 51.32 1ngw s ALA 25 Cb -0.12 -2.21 0.35 0.00 0.00 0.00 0.00 23.12 21.14 1ngw s ALA 25 CO 0.03 -0.46 1.31 -1.13 0.00 0.00 0.00 175.76 175.51 1ngw n SER 26 N -2.17 1.38 -3.55 0.00 3.41 -1.19 -4.91 113.62 106.60 1ngw n SER 26 Ca 0.02 -1.10 -0.14 0.00 -0.26 0.00 0.00 58.87 57.39 1ngw n SER 26 Cb 0.58 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.83 1ngw n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngw s GLN 27 N -2.57 0.82 0.19 4.33 -2.07 -1.26 -5.01 119.66 114.08 1ngw s GLN 27 Ca 0.20 0.19 -0.33 0.00 -1.82 0.00 0.00 55.36 53.59 1ngw s GLN 27 Cb 0.18 0.39 -0.14 0.00 -1.09 0.00 0.00 33.01 32.35 1ngw s GLN 27 CO 0.58 -0.26 1.49 -1.71 -1.32 0.00 0.00 175.29 174.07 1ngw n ASN 28 N 0.79 2.83 -0.07 12.60 5.15 -1.26 -4.86 115.26 130.43 1ngw n ASN 28 Ca -0.14 1.11 -0.12 0.00 -0.60 0.00 0.00 54.58 54.82 1ngw n ASN 28 Cb 0.58 -1.41 -0.06 0.00 -0.53 0.00 0.00 39.78 38.35 1ngw n ASN 28 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1ngw n VAL 29 N 2.71 0.84 0.00 3.44 0.24 -0.82 -5.03 118.33 119.71 1ngw n VAL 29 Ca 0.15 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1ngw n VAL 29 Cb 0.29 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1ngw n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngw n GLY 30 N 2.54 1.02 0.00 7.63 0.00 -1.20 -4.69 105.19 110.49 1ngw n GLY 30 Ca -0.27 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1ngw n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngw n THR 31 N 0.00 0.00 -0.58 2.61 -2.24 -1.26 -2.98 114.28 109.83 1ngw n THR 31 Ca 0.00 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1ngw n THR 31 Cb 0.00 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1ngw n THR 31 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ngw n PRO 32 N -1.41 1.63 -4.33 -0.78 -0.02 -1.26 -2.55 135.00 126.27 1ngw n PRO 32 Ca -0.00 -1.23 -0.29 0.00 -2.02 0.00 0.00 63.50 59.97 1ngw n PRO 32 Cb 0.01 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.04 1ngw n PRO 32 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ngw s VAL 33 N 3.67 2.73 0.20 -1.45 1.01 -1.26 -0.29 120.40 125.00 1ngw s VAL 33 Ca 0.31 -1.64 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 1ngw s VAL 33 Cb 0.08 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1ngw s VAL 33 CO -0.03 0.04 0.23 0.00 0.00 0.00 0.00 175.10 175.34 1ngw s ALA 34 N -1.28 0.66 0.00 5.51 0.00 -0.01 -0.28 121.76 126.36 1ngw s ALA 34 Ca 0.19 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1ngw s ALA 34 Cb -0.10 1.20 -0.00 0.00 0.00 0.00 0.00 23.12 24.22 1ngw s ALA 34 CO 0.10 -0.65 -0.03 -1.58 0.00 0.00 0.00 175.76 173.60 1ngw s TRP 35 N -4.09 0.28 0.11 0.00 0.52 -0.11 -0.28 118.94 115.37 1ngw s TRP 35 Ca 0.31 -0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.40 1ngw s TRP 35 Cb 0.05 -0.18 -0.04 0.00 -1.15 0.00 0.00 33.47 32.15 1ngw s TRP 35 CO 0.09 -0.02 -0.16 0.71 0.02 0.00 0.00 176.95 177.59 1ngw s TYR 36 N -0.20 1.49 -0.14 -1.98 1.51 0.20 -1.17 117.35 117.06 1ngw s TYR 36 Ca -0.00 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1ngw s TYR 36 Cb -0.02 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 1ngw s TYR 36 CO -0.00 0.16 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.27 1ngw s GLN 37 N -2.35 3.14 -0.24 -0.62 0.74 -0.24 -0.60 119.66 119.48 1ngw s GLN 37 Ca 0.07 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.70 1ngw s GLN 37 Cb -0.07 -2.50 0.06 0.00 1.10 0.00 0.00 33.01 31.60 1ngw s GLN 37 CO 0.04 0.07 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.60 1ngw s GLN 38 N 0.66 2.09 0.38 1.67 0.74 0.15 -0.69 119.66 124.65 1ngw s GLN 38 Ca -0.09 -1.19 -0.16 0.00 0.05 0.00 0.00 55.36 53.97 1ngw s GLN 38 Cb -0.16 -2.75 -0.09 0.00 1.10 0.00 0.00 33.01 31.10 1ngw s GLN 38 CO 0.02 -0.55 0.83 0.15 -0.55 0.00 0.00 175.29 175.19 1ngw s LYS 39 N 1.21 4.04 -0.03 1.67 1.02 -1.26 -1.68 119.74 124.71 1ngw s LYS 39 Ca -0.07 0.81 -0.37 0.00 0.02 0.00 0.00 55.97 56.37 1ngw s LYS 39 Cb -0.19 -2.32 -0.15 0.00 -0.52 0.00 0.00 37.83 34.65 1ngw s LYS 39 CO -0.06 0.04 1.60 -0.35 -0.92 0.00 0.00 175.35 175.66 1ngw n PRO 40 N -0.67 1.56 0.00 -1.68 -0.04 -1.26 -3.61 135.00 129.29 1ngw n PRO 40 Ca 0.05 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1ngw n PRO 40 Cb 0.54 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1ngw n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ngw n GLY 41 N 3.53 1.30 3.29 0.55 0.00 -1.26 -5.05 105.19 107.54 1ngw n GLY 41 Ca 0.21 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1ngw n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngw n GLN 42 N 0.00 -1.97 -1.67 1.61 10.64 -1.24 -5.03 117.38 119.73 1ngw n GLN 42 Ca 0.00 -0.56 -0.24 0.00 -1.83 0.00 0.00 57.00 54.37 1ngw n GLN 42 Cb 0.00 -1.77 0.16 0.00 -0.86 0.00 0.00 30.24 27.77 1ngw n GLN 42 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ngw n SER 43 N -2.37 0.22 -4.77 2.61 3.41 -1.26 -4.56 113.62 106.89 1ngw n SER 43 Ca 0.01 -1.47 -0.33 0.00 -0.26 0.00 0.00 58.87 56.82 1ngw n SER 43 Cb 0.60 -0.81 0.05 0.00 -0.26 0.00 0.00 64.21 63.78 1ngw n SER 43 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1ngw s PRO 44 N -5.32 2.82 -0.05 4.33 0.02 -1.26 -4.52 135.00 131.00 1ngw s PRO 44 Ca 0.62 1.36 0.05 0.00 0.02 0.00 0.00 61.00 63.05 1ngw s PRO 44 Cb -0.02 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.54 1ngw s PRO 44 CO 0.43 -1.23 -0.19 0.15 -0.33 0.00 0.00 177.00 175.82 1ngw s LYS 45 N -4.14 2.09 0.20 5.54 3.01 0.13 -4.94 119.74 121.63 1ngw s LYS 45 Ca 0.66 -0.69 -0.30 0.00 -1.01 0.00 0.00 55.97 54.63 1ngw s LYS 45 Cb -0.20 -1.77 -0.08 0.00 -1.01 0.00 0.00 37.83 34.77 1ngw s LYS 45 CO 0.42 0.25 1.21 -1.17 0.51 0.00 0.00 175.35 176.57 1ngw s LEU 46 N 0.07 4.45 -0.07 3.17 2.96 -1.26 -1.08 118.68 126.92 1ngw s LEU 46 Ca -0.06 2.27 -0.03 0.00 -0.22 0.00 0.00 54.13 56.09 1ngw s LEU 46 Cb -0.13 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1ngw s LEU 46 CO 0.03 -0.38 -0.08 0.18 -1.32 0.00 0.00 176.35 174.78 1ngw n LEU 47 N 2.39 1.11 -3.76 -0.68 4.77 -0.32 -4.79 117.00 115.73 1ngw n LEU 47 Ca 0.04 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1ngw n LEU 47 Cb 0.44 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1ngw n LEU 47 CO 0.56 0.26 -0.20 -0.63 -1.33 0.00 0.00 177.39 176.05 1ngw s ILE 48 N -2.13 -0.04 0.38 -0.08 1.01 -1.07 -2.22 121.20 117.05 1ngw s ILE 48 Ca -0.10 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1ngw s ILE 48 Cb 0.03 -0.26 -0.07 0.00 0.01 0.00 0.00 42.46 42.17 1ngw s ILE 48 CO 0.13 0.05 -0.01 -0.72 0.00 0.00 0.00 174.94 174.40 1ngw s TYR 49 N 0.91 2.40 -1.57 3.97 1.13 -0.87 -0.93 117.35 122.38 1ngw s TYR 49 Ca -0.07 -0.67 -0.15 0.00 -1.41 0.00 0.00 57.07 54.77 1ngw s TYR 49 Cb -0.09 -1.60 0.10 0.00 -1.10 0.00 0.00 41.96 39.27 1ngw s TYR 49 CO -0.05 0.41 0.93 0.45 -2.51 0.00 0.00 175.55 174.78 1ngw n SER 50 N -0.88 -4.47 0.00 -0.18 2.88 -0.97 -2.09 113.62 107.91 1ngw n SER 50 Ca -0.05 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 1ngw n SER 50 Cb 0.66 -3.59 0.00 0.00 -0.75 0.00 0.00 64.21 60.53 1ngw n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ngw n ALA 51 N -4.57 0.00 0.00 -1.46 0.00 0.62 -4.03 120.51 111.06 1ngw n ALA 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ngw n ALA 51 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ngw n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngw n SER 52 N 0.46 0.37 -4.77 0.00 3.41 -1.17 -3.37 113.62 108.55 1ngw n SER 52 Ca 0.00 -0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.15 1ngw n SER 52 Cb 0.00 0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 1ngw n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ngw s ASN 53 N -0.31 7.20 -0.02 4.04 0.01 -0.89 -4.52 114.94 120.45 1ngw s ASN 53 Ca 0.00 2.02 -0.11 0.00 -0.71 0.00 0.00 52.86 54.06 1ngw s ASN 53 Cb 0.00 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1ngw s ASN 53 CO 0.00 -0.18 0.33 -0.13 -1.51 0.00 0.00 177.10 175.61 1ngw s ARG 54 N -1.89 3.74 0.45 -0.60 0.52 -1.26 -2.04 118.95 117.87 1ngw s ARG 54 Ca 0.50 0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 55.68 1ngw s ARG 54 Cb -0.24 -3.17 -0.08 0.00 0.52 0.00 0.00 34.95 31.97 1ngw s ARG 54 CO 0.30 0.70 1.08 -0.47 0.02 0.00 0.00 175.30 176.93 1ngw s TYR 55 N -1.12 3.03 0.19 -0.53 5.04 -0.94 -4.90 117.35 118.11 1ngw s TYR 55 Ca 0.23 1.59 -0.33 0.00 -2.44 0.00 0.00 57.07 56.12 1ngw s TYR 55 Cb -0.15 -3.19 -0.15 0.00 0.35 0.00 0.00 41.96 38.82 1ngw s TYR 55 CO 0.12 -1.01 1.28 0.25 -1.34 0.00 0.00 175.55 174.86 1ngw n THR 56 N -0.56 0.80 0.00 4.34 -2.24 -1.26 -1.87 114.28 113.49 1ngw n THR 56 Ca 0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ngw n THR 56 Cb 0.50 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1ngw n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ngw n GLY 57 N 2.18 3.10 3.67 3.38 0.00 -1.26 -5.04 105.19 111.21 1ngw n GLY 57 Ca 0.14 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1ngw n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngw s VAL 58 N -0.74 2.87 0.49 1.61 1.01 -0.78 -4.93 120.40 119.92 1ngw s VAL 58 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1ngw s VAL 58 Cb 0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 1ngw s VAL 58 CO 0.00 -0.00 1.35 -2.16 0.00 0.00 0.00 175.10 174.29 1ngw s PRO 59 N 3.96 3.50 0.00 2.72 0.04 -1.26 -4.87 135.00 139.09 1ngw s PRO 59 Ca 0.86 2.24 0.00 0.00 0.04 0.00 0.00 61.00 64.14 1ngw s PRO 59 Cb -0.44 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1ngw s PRO 59 CO 0.40 -0.90 0.84 -0.40 0.04 0.00 0.00 177.00 176.98 1ngw n ASP 60 N -0.53 0.00 0.25 6.66 3.85 -1.26 -1.79 116.55 123.73 1ngw n ASP 60 Ca 0.07 0.35 0.16 0.00 -0.71 0.00 0.00 54.79 54.66 1ngw n ASP 60 Cb 0.44 -0.35 0.59 0.00 -1.35 0.00 0.00 41.12 40.45 1ngw n ASP 60 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 1ngw h ARG 61 N 0.00 0.00 -5.69 0.11 0.11 -1.93 -3.42 114.38 103.56 1ngw h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1ngw h ARG 61 Cb 0.25 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.24 1ngw h ARG 61 CO 0.00 0.00 -0.05 -0.06 0.10 0.00 0.00 179.97 179.96 1ngw s PHE 62 N -3.55 3.46 -0.06 4.08 0.08 -0.74 -0.65 117.98 120.60 1ngw s PHE 62 Ca 0.03 0.89 0.02 0.00 0.12 0.00 0.00 56.93 57.99 1ngw s PHE 62 Cb 0.09 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1ngw s PHE 62 CO 0.54 0.03 -0.10 0.99 -0.10 0.00 0.00 175.22 176.58 1ngw s THR 63 N 1.13 0.94 -0.14 0.64 2.01 0.82 -4.96 115.64 116.09 1ngw s THR 63 Ca 0.27 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1ngw s THR 63 Cb -0.16 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1ngw s THR 63 CO 0.11 0.31 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.48 1ngw s GLY 64 N 0.72 1.73 0.00 4.40 0.00 -1.26 0.92 107.32 113.83 1ngw s GLY 64 Ca -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1ngw s GLY 64 CO 0.03 -0.21 0.00 -1.14 0.00 0.00 0.00 173.10 171.78 1ngw n SER 65 N 3.18 0.00 -1.02 1.64 3.41 -0.02 -4.26 113.62 116.55 1ngw n SER 65 Ca -0.18 -0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.50 1ngw n SER 65 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1ngw n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngw n GLY 66 N 0.00 -2.98 3.51 5.00 0.00 -1.26 -2.94 105.19 106.52 1ngw n GLY 66 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1ngw n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ngw s SER 67 N -6.39 -0.39 0.00 1.61 0.15 -0.90 -4.83 113.70 102.96 1ngw s SER 67 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ngw s SER 67 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1ngw s SER 67 CO 0.00 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1ngw n GLY 68 N -0.11 1.37 0.00 9.45 0.00 -1.16 -4.11 105.19 110.62 1ngw n GLY 68 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ngw n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ngw n THR 69 N 0.00 0.00 -4.07 2.61 -2.24 -1.26 -1.94 114.28 107.38 1ngw n THR 69 Ca 0.00 -0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1ngw n THR 69 Cb 0.00 0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.30 1ngw n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ngw s ASP 70 N -0.79 4.33 0.22 3.42 -0.00 -1.26 -0.84 116.67 121.75 1ngw s ASP 70 Ca 0.00 -0.35 0.11 0.00 -0.00 0.00 0.00 52.55 52.31 1ngw s ASP 70 Cb 0.00 -1.73 -0.05 0.00 -0.00 0.00 0.00 42.92 41.14 1ngw s ASP 70 CO 0.00 0.02 -0.21 -0.36 -0.00 0.00 0.00 175.17 174.63 1ngw s PHE 71 N 1.21 2.15 -0.06 4.23 0.40 -0.31 -2.12 117.98 123.50 1ngw s PHE 71 Ca 0.03 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 1ngw s PHE 71 Cb -0.14 -1.01 0.04 0.00 0.51 0.00 0.00 43.02 42.41 1ngw s PHE 71 CO -0.01 0.53 0.41 -0.08 0.70 0.00 0.00 175.22 176.77 1ngw s THR 72 N -2.14 0.03 -0.04 0.64 -1.32 -1.15 -0.07 115.64 111.59 1ngw s THR 72 Ca 0.23 -0.27 0.07 0.00 -1.21 0.00 0.00 61.69 60.51 1ngw s THR 72 Cb -0.06 -0.69 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 1ngw s THR 72 CO 0.11 -0.15 -0.24 -0.22 -2.21 0.00 0.00 174.62 171.91 1ngw s LEU 73 N -0.93 2.05 0.01 9.08 2.96 0.57 -0.84 118.68 131.57 1ngw s LEU 73 Ca -0.10 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1ngw s LEU 73 Cb -0.04 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1ngw s LEU 73 CO 0.05 0.26 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.28 1ngw s THR 74 N -0.30 1.28 -0.32 3.68 2.01 0.26 -1.39 115.64 120.86 1ngw s THR 74 Ca 0.01 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 1ngw s THR 74 Cb -0.12 -1.09 0.05 0.00 0.01 0.00 0.00 72.50 71.35 1ngw s THR 74 CO 0.02 0.26 0.06 -0.63 -0.69 0.00 0.00 174.62 173.64 1ngw s ILE 75 N -0.53 3.29 0.05 1.82 1.01 -0.57 -0.12 121.20 126.16 1ngw s ILE 75 Ca 0.05 -1.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.08 1ngw s ILE 75 Cb -0.07 -2.92 -0.17 0.00 0.01 0.00 0.00 42.46 39.31 1ngw s ILE 75 CO 0.00 -0.19 1.54 0.28 0.00 0.00 0.00 174.94 176.57 1ngw h SER 76 N 8.08 -0.25 -2.39 3.58 0.02 -1.19 -1.47 113.55 119.92 1ngw h SER 76 Ca -0.21 -0.10 -0.60 0.00 -0.84 0.00 0.00 61.79 60.04 1ngw h SER 76 Cb 1.07 0.07 -0.41 0.00 0.14 0.00 0.00 62.40 63.26 1ngw h SER 76 CO 0.57 -0.06 -0.67 0.59 -1.14 0.00 0.00 176.83 176.13 1ngw n ASN 77 N -5.16 2.96 -4.61 3.07 3.02 -1.26 -4.11 115.26 109.18 1ngw n ASN 77 Ca -0.09 -3.25 -0.64 0.00 -0.03 0.00 0.00 54.58 50.57 1ngw n ASN 77 Cb 0.19 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 1ngw n ASN 77 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ngw n MET 78 N 1.28 0.17 -4.39 3.52 0.00 -0.44 -4.53 117.12 112.72 1ngw n MET 78 Ca 0.26 0.06 -0.29 0.00 -0.00 0.00 0.00 57.70 57.74 1ngw n MET 78 Cb 0.41 -1.60 -0.13 0.00 0.00 0.00 0.00 33.22 31.90 1ngw n MET 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ngw s GLN 79 N 3.95 1.40 0.56 2.12 -0.21 -1.26 -0.43 119.66 125.79 1ngw s GLN 79 Ca 1.08 -1.36 0.44 0.00 0.02 0.00 0.00 55.36 55.54 1ngw s GLN 79 Cb -1.43 -1.87 1.62 0.00 1.00 0.00 0.00 33.01 32.33 1ngw s GLN 79 CO 0.75 0.44 1.65 1.03 -2.12 0.00 0.00 175.29 177.03 1ngw h SER 80 N 3.83 0.00 0.00 5.90 0.87 -1.92 0.54 113.55 122.77 1ngw h SER 80 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1ngw h SER 80 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1ngw h SER 80 CO 0.40 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 176.08 1ngw n GLU 81 N -3.97 0.68 0.00 2.24 4.71 -1.26 -2.27 120.64 120.77 1ngw n GLU 81 Ca 0.36 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.56 1ngw n GLU 81 Cb 1.69 -1.27 0.03 0.00 -1.01 0.00 0.00 31.44 30.88 1ngw n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ngw n ASP 82 N -0.77 1.68 -4.67 1.62 8.00 0.19 -4.96 116.55 117.63 1ngw n ASP 82 Ca 0.09 -1.34 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 1ngw n ASP 82 Cb 0.04 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1ngw n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ngw n LEU 83 N 0.36 4.04 0.00 0.64 0.00 -0.96 -4.82 117.00 116.26 1ngw n LEU 83 Ca 0.05 0.93 0.00 0.00 0.00 0.00 0.00 56.01 56.99 1ngw n LEU 83 Cb 0.24 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.16 1ngw n LEU 83 CO 0.08 0.16 0.00 0.00 0.00 0.00 0.00 177.39 177.63 1ngw n ALA 84 N 7.06 0.00 -2.71 1.96 0.00 -1.19 -4.82 120.51 120.82 1ngw n ALA 84 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 1ngw n ALA 84 Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 1ngw n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ngw s ASP 85 N -4.00 5.26 0.06 0.00 -0.00 -0.68 -0.39 116.67 116.91 1ngw s ASP 85 Ca 0.00 0.02 0.07 0.00 -0.00 0.00 0.00 52.55 52.63 1ngw s ASP 85 Cb 0.00 -1.40 -0.03 0.00 -0.00 0.00 0.00 42.92 41.49 1ngw s ASP 85 CO 0.00 0.27 -0.19 -0.31 -0.00 0.00 0.00 175.17 174.94 1ngw s TYR 86 N -1.13 1.61 0.02 4.23 2.02 0.46 -0.68 117.35 123.87 1ngw s TYR 86 Ca 0.21 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1ngw s TYR 86 Cb -0.12 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1ngw s TYR 86 CO 0.12 0.10 -0.10 -0.06 -1.57 0.00 0.00 175.55 174.03 1ngw s PHE 87 N -0.91 0.91 -0.10 2.71 0.08 0.23 -1.30 117.98 119.60 1ngw s PHE 87 Ca 0.05 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 1ngw s PHE 87 Cb -0.09 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1ngw s PHE 87 CO 0.02 -0.01 0.05 0.00 -0.10 0.00 0.00 175.22 175.18 1ngw s GLN 89 N -0.90 0.85 -0.09 0.00 0.74 0.62 0.95 119.66 121.83 1ngw s GLN 89 Ca 0.14 -1.17 0.02 0.00 0.05 0.00 0.00 55.36 54.39 1ngw s GLN 89 Cb -0.12 -0.51 0.02 0.00 1.10 0.00 0.00 33.01 33.50 1ngw s GLN 89 CO 0.03 0.07 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.58 1ngw s GLN 90 N -2.85 1.82 -0.30 1.67 -0.44 0.15 -0.83 119.66 118.87 1ngw s GLN 90 Ca 0.06 -0.43 0.16 0.00 -2.50 0.00 0.00 55.36 52.65 1ngw s GLN 90 Cb -0.02 -1.57 0.48 0.00 -1.64 0.00 0.00 33.01 30.25 1ngw s GLN 90 CO -0.00 -0.05 1.09 2.48 0.50 0.00 0.00 175.29 179.31 1ngw n TYR 91 N 4.11 1.88 -0.08 1.67 4.11 0.60 -2.63 117.16 126.81 1ngw n TYR 91 Ca -0.20 -2.43 -0.09 0.00 -0.00 0.00 0.00 57.90 55.18 1ngw n TYR 91 Cb 0.51 -0.27 -0.12 0.00 -0.00 0.00 0.00 39.34 39.46 1ngw n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1ngw n SER 92 N -0.49 1.28 -4.06 9.48 3.41 -1.26 -4.91 113.62 117.08 1ngw n SER 92 Ca 0.20 -0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.59 1ngw n SER 92 Cb 0.83 0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 65.31 1ngw n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ngw s SER 93 N -5.15 1.30 0.29 4.04 0.15 -1.26 -5.13 113.70 107.94 1ngw s SER 93 Ca -0.11 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.08 1ngw s SER 93 Cb 0.05 -0.15 -0.09 0.00 -1.71 0.00 0.00 66.02 64.11 1ngw s SER 93 CO 0.63 0.13 0.89 -0.31 1.20 0.00 0.00 173.24 175.78 1ngw s TYR 94 N -0.24 3.73 0.42 3.44 2.02 -1.26 -3.90 117.35 121.55 1ngw s TYR 94 Ca 0.04 1.72 -0.19 0.00 -0.37 0.00 0.00 57.07 58.27 1ngw s TYR 94 Cb -0.04 -2.86 -0.10 0.00 -0.40 0.00 0.00 41.96 38.55 1ngw s TYR 94 CO -0.00 0.28 0.90 -1.25 -1.57 0.00 0.00 175.55 173.90 1ngw s PRO 95 N -1.90 4.12 0.24 -1.71 0.04 -1.26 -4.24 135.00 130.28 1ngw s PRO 95 Ca 0.47 0.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 1ngw s PRO 95 Cb -0.19 -2.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 1ngw s PRO 95 CO 0.24 -0.03 1.41 1.28 0.04 0.00 0.00 177.00 179.94 1ngw n LEU 96 N -0.76 3.11 -4.35 -3.56 4.32 -1.25 -4.77 117.00 109.74 1ngw n LEU 96 Ca 0.06 1.14 -0.28 0.00 -0.02 0.00 0.00 56.01 56.92 1ngw n LEU 96 Cb 0.54 -1.43 -0.13 0.00 -1.62 0.00 0.00 43.42 40.78 1ngw n LEU 96 CO 0.40 -0.48 -0.55 -0.89 -1.22 0.00 0.00 177.39 174.64 1ngw s THR 97 N -0.06 2.08 0.23 -5.08 2.01 -1.08 -4.97 115.64 108.76 1ngw s THR 97 Ca 0.68 -1.66 0.10 0.00 0.31 0.00 0.00 61.69 61.13 1ngw s THR 97 Cb -0.65 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1ngw s THR 97 CO 0.50 0.07 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.02 1ngw s PHE 98 N -1.06 2.52 0.64 4.92 0.08 -1.26 -0.68 117.98 123.15 1ngw s PHE 98 Ca 0.12 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.85 1ngw s PHE 98 Cb -0.10 -1.17 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1ngw s PHE 98 CO 0.05 0.58 0.94 0.20 -0.10 0.00 0.00 175.22 176.89 1ngw s GLY 99 N -3.18 1.68 0.00 4.36 0.00 0.27 -4.43 107.32 106.02 1ngw s GLY 99 Ca 0.27 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 44.12 1ngw s GLY 99 CO 0.16 -0.58 1.18 0.61 0.00 0.00 0.00 173.10 174.46 1ngw n GLY 100 N -2.71 -0.69 0.00 0.20 0.00 -1.25 -4.63 105.19 96.10 1ngw n GLY 100 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ngw n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngw n GLY 101 N -0.89 -1.77 3.08 -0.02 0.00 -1.26 -5.03 105.19 99.30 1ngw n GLY 101 Ca 0.01 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 1ngw n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngw s THR 102 N -3.51 1.06 -0.20 2.61 2.01 -0.42 -4.69 115.64 112.50 1ngw s THR 102 Ca 0.00 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 1ngw s THR 102 Cb 0.00 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1ngw s THR 102 CO 0.00 0.31 0.11 -0.75 -0.69 0.00 0.00 174.62 173.60 1ngw s LYS 103 N -0.09 4.08 -0.35 4.92 2.20 -0.82 -0.40 119.74 129.29 1ngw s LYS 103 Ca 0.01 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1ngw s LYS 103 Cb -0.08 -3.38 0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1ngw s LYS 103 CO 0.00 0.22 0.09 0.08 -0.36 0.00 0.00 175.35 175.38 1ngw s VAL 104 N 0.56 3.12 0.41 4.02 1.01 0.47 -2.00 120.40 127.99 1ngw s VAL 104 Ca 0.06 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.38 1ngw s VAL 104 Cb -0.12 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.39 1ngw s VAL 104 CO 0.00 -0.36 0.56 -0.62 0.00 0.00 0.00 175.10 174.68 1ngw n GLU 105 N 4.60 0.36 -3.89 2.72 -0.58 -1.22 -3.14 120.64 119.49 1ngw n GLU 105 Ca -0.08 -1.70 -0.16 0.00 -0.42 0.00 0.00 57.16 54.80 1ngw n GLU 105 Cb 0.43 -0.32 -0.16 0.00 -0.57 0.00 0.00 31.44 30.82 1ngw n GLU 105 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ngw s ILE 106 N -1.57 0.11 0.36 -3.67 1.01 -1.26 -3.33 121.20 112.85 1ngw s ILE 106 Ca 0.39 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.98 1ngw s ILE 106 Cb -0.02 -0.19 -0.09 0.00 0.01 0.00 0.00 42.46 42.16 1ngw s ILE 106 CO 0.25 0.11 0.79 -0.54 0.00 0.00 0.00 174.94 175.55 1ngw s LYS 107 N 0.85 4.00 0.09 2.79 1.02 0.17 -4.96 119.74 123.69 1ngw s LYS 107 Ca -0.08 0.73 -0.27 0.00 0.02 0.00 0.00 55.97 56.37 1ngw s LYS 107 Cb -0.11 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 34.91 1ngw s LYS 107 CO -0.02 0.07 1.00 -0.98 -0.92 0.00 0.00 175.35 174.50 1ngw s ARG 108 N -3.21 0.98 0.90 1.68 1.70 -1.26 -4.42 118.95 115.31 1ngw s ARG 108 Ca 0.55 -0.51 -0.12 0.00 -0.47 0.00 0.00 55.73 55.19 1ngw s ARG 108 Cb -0.10 0.36 0.10 0.00 -0.57 0.00 0.00 34.95 34.73 1ngw s ARG 108 CO 0.20 -0.44 0.92 0.25 -1.08 0.00 0.00 175.30 175.15 1ngw n THR 109 N -0.41 0.51 -1.07 4.99 -2.24 -1.26 -4.92 114.28 109.88 1ngw n THR 109 Ca -0.07 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 1ngw n THR 109 Cb 0.61 -0.92 0.15 0.00 -2.10 0.00 0.00 70.33 68.07 1ngw n THR 109 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ngw s VAL 110 N -2.43 2.54 -0.17 2.28 -7.23 -1.26 -4.82 120.40 109.31 1ngw s VAL 110 Ca 0.65 0.18 -0.07 0.00 -1.81 0.00 0.00 61.98 60.93 1ngw s VAL 110 Cb -0.24 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1ngw s VAL 110 CO 0.59 -0.23 0.37 0.00 -0.31 0.00 0.00 175.10 175.53 1ngw s ALA 111 N -2.84 -0.97 0.52 1.32 0.00 -0.33 -4.88 121.76 114.58 1ngw s ALA 111 Ca 0.64 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.79 1ngw s ALA 111 Cb -0.19 -1.11 -0.07 0.00 0.00 0.00 0.00 23.12 21.75 1ngw s ALA 111 CO 0.58 -0.56 1.02 0.00 0.00 0.00 0.00 175.76 176.80 1ngw s ALA 112 N 2.14 2.91 0.43 0.00 0.00 -1.26 -2.00 121.76 123.98 1ngw s ALA 112 Ca -0.04 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 1ngw s ALA 112 Cb -0.11 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1ngw s ALA 112 CO -0.12 -0.37 0.85 -1.25 0.00 0.00 0.00 175.76 174.87 1ngw s PRO 113 N -3.70 3.90 -0.44 0.00 0.04 -1.26 -4.60 135.00 128.95 1ngw s PRO 113 Ca 0.63 0.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 1ngw s PRO 113 Cb -0.13 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1ngw s PRO 113 CO 0.27 -0.08 0.45 -1.12 0.04 0.00 0.00 177.00 176.56 1ngw s SER 114 N -2.90 6.19 -0.07 6.66 0.01 -0.79 -4.88 113.70 117.93 1ngw s SER 114 Ca 0.55 -0.79 -0.14 0.00 1.31 0.00 0.00 55.95 56.87 1ngw s SER 114 Cb -0.10 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1ngw s SER 114 CO 0.27 -0.62 0.37 -0.69 0.41 0.00 0.00 173.24 172.98 1ngw s VAL 115 N 2.12 5.16 0.12 3.43 1.01 -1.26 -1.52 120.40 129.47 1ngw s VAL 115 Ca 0.11 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1ngw s VAL 115 Cb -0.18 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ngw s VAL 115 CO 0.12 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.26 1ngw s PHE 116 N -0.44 1.19 0.05 5.22 0.40 0.41 -4.91 117.98 119.90 1ngw s PHE 116 Ca 0.22 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1ngw s PHE 116 Cb -0.15 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1ngw s PHE 116 CO 0.10 0.05 -0.11 -1.50 0.70 0.00 0.00 175.22 174.46 1ngw s ILE 117 N -2.78 0.82 -0.15 0.64 2.07 -1.26 -0.22 121.20 120.32 1ngw s ILE 117 Ca 0.11 -1.08 -0.01 0.00 -1.41 0.00 0.00 60.65 58.25 1ngw s ILE 117 Cb -0.01 -0.81 0.04 0.00 0.13 0.00 0.00 42.46 41.81 1ngw s ILE 117 CO 0.01 -0.23 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.40 1ngw s PHE 118 N -1.17 1.49 0.84 3.50 0.08 0.34 -5.00 117.98 118.06 1ngw s PHE 118 Ca -0.05 -0.90 -0.11 0.00 0.12 0.00 0.00 56.93 56.00 1ngw s PHE 118 Cb -0.09 -1.22 0.10 0.00 -0.57 0.00 0.00 43.02 41.23 1ngw s PHE 118 CO 0.01 -0.56 1.09 -2.14 -0.10 0.00 0.00 175.22 173.52 1ngw s PRO 119 N 1.70 1.72 0.40 0.24 0.02 -1.26 -2.78 135.00 135.04 1ngw s PRO 119 Ca 0.02 0.99 -0.26 0.00 0.02 0.00 0.00 61.00 61.77 1ngw s PRO 119 Cb -0.14 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1ngw s PRO 119 CO -0.08 -1.97 1.30 -1.25 -0.33 0.00 0.00 177.00 174.67 1ngw s PRO 120 N -4.92 4.00 0.49 5.54 0.04 -1.25 -4.87 135.00 134.04 1ngw s PRO 120 Ca 0.62 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 63.60 1ngw s PRO 120 Cb -0.18 -2.78 -0.07 0.00 0.04 0.00 0.00 34.50 31.51 1ngw s PRO 120 CO 0.57 -0.46 1.16 -1.54 0.04 0.00 0.00 177.00 176.76 1ngw s SER 121 N -0.73 6.02 0.45 6.66 1.04 -1.26 -4.89 113.70 121.00 1ngw s SER 121 Ca 0.56 2.27 0.15 0.00 0.48 0.00 0.00 55.95 59.41 1ngw s SER 121 Cb -0.38 -2.60 1.09 0.00 0.10 0.00 0.00 66.02 64.23 1ngw s SER 121 CO 0.49 -1.02 2.00 0.44 0.98 0.00 0.00 173.24 176.13 1ngw h ASP 122 N 1.78 0.30 0.38 7.02 3.32 -1.94 -2.51 116.42 124.77 1ngw h ASP 122 Ca -0.50 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1ngw h ASP 122 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1ngw h ASP 122 CO 0.59 0.18 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.86 1ngw h GLU 123 N 0.33 -0.70 -0.89 3.56 4.81 -2.00 -2.94 114.58 116.75 1ngw h GLU 123 Ca 0.25 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.65 1ngw h GLU 123 Cb 0.54 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 1ngw h GLU 123 CO -0.06 -0.47 0.51 0.37 -0.73 0.00 0.00 179.01 178.63 1ngw h GLN 124 N -0.73 0.76 -0.83 1.92 4.15 -1.77 -2.55 115.11 116.06 1ngw h GLN 124 Ca -0.05 -0.05 0.20 0.00 0.77 0.00 0.00 58.65 59.52 1ngw h GLN 124 Cb 0.63 -0.17 -0.15 0.00 0.21 0.00 0.00 27.48 28.00 1ngw h GLN 124 CO -0.03 0.50 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.29 1ngw h LEU 125 N 0.78 -0.43 -0.45 -2.39 3.38 -1.31 -0.34 115.31 114.56 1ngw h LEU 125 Ca 0.46 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.74 1ngw h LEU 125 Cb 0.53 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1ngw h LEU 125 CO -0.30 -0.23 -0.08 0.11 0.09 0.00 0.00 178.44 178.04 1ngw h LYS 126 N 0.07 0.03 0.00 1.13 1.79 -1.45 0.18 116.57 118.33 1ngw h LYS 126 Ca 0.46 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1ngw h LYS 126 Cb 0.83 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1ngw h LYS 126 CO -0.75 0.02 0.00 -1.13 -1.08 0.00 0.00 179.45 176.51 1ngw n SER 127 N -5.30 0.00 -0.35 0.86 3.41 -0.14 -4.76 113.62 107.34 1ngw n SER 127 Ca 0.04 0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1ngw n SER 127 Cb 0.24 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1ngw n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngw n GLY 128 N -1.00 0.67 3.51 5.00 0.00 0.05 -5.06 105.19 108.36 1ngw n GLY 128 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1ngw n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ngw s THR 129 N -2.58 0.01 -0.32 2.61 2.01 -1.24 -3.93 115.64 112.19 1ngw s THR 129 Ca 0.01 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1ngw s THR 129 Cb -0.00 -0.91 0.10 0.00 0.01 0.00 0.00 72.50 71.70 1ngw s THR 129 CO 0.01 -0.03 0.06 0.00 -0.69 0.00 0.00 174.62 173.98 1ngw s ALA 130 N -0.41 2.33 -0.19 7.40 0.00 -0.40 -3.51 121.76 126.97 1ngw s ALA 130 Ca -0.06 -2.14 -0.19 0.00 0.00 0.00 0.00 51.96 49.57 1ngw s ALA 130 Cb -0.03 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1ngw s ALA 130 CO 0.05 -1.65 0.55 -1.12 0.00 0.00 0.00 175.76 173.59 1ngw s SER 131 N 1.20 6.63 -0.15 0.00 0.01 -1.26 -3.03 113.70 117.10 1ngw s SER 131 Ca 0.09 0.76 -0.02 0.00 1.31 0.00 0.00 55.95 58.09 1ngw s SER 131 Cb -0.18 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1ngw s SER 131 CO -0.15 -0.19 -0.08 -0.69 0.41 0.00 0.00 173.24 172.55 1ngw s VAL 132 N 1.59 3.48 -0.15 3.43 1.01 -0.17 -3.74 120.40 125.84 1ngw s VAL 132 Ca 0.26 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1ngw s VAL 132 Cb -0.16 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1ngw s VAL 132 CO 0.10 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.87 1ngw s VAL 133 N 0.52 2.87 -0.12 2.92 1.01 -1.12 0.43 120.40 126.91 1ngw s VAL 133 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1ngw s VAL 133 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1ngw s VAL 133 CO 0.03 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 1ngw s LEU 135 N 0.15 2.08 -0.39 0.00 1.98 0.69 -0.09 118.68 123.10 1ngw s LEU 135 Ca -0.07 -0.56 -0.04 0.00 -2.89 0.00 0.00 54.13 50.57 1ngw s LEU 135 Cb -0.15 -1.40 0.09 0.00 0.66 0.00 0.00 46.19 45.39 1ngw s LEU 135 CO 0.05 0.14 0.18 -0.76 -1.89 0.00 0.00 176.35 174.07 1ngw s LEU 136 N 0.43 4.96 -0.00 -0.68 1.02 0.23 -0.45 118.68 124.19 1ngw s LEU 136 Ca -0.17 -1.76 -0.15 0.00 0.02 0.00 0.00 54.13 52.07 1ngw s LEU 136 Cb -0.18 -1.84 -0.06 0.00 0.02 0.00 0.00 46.19 44.14 1ngw s LEU 136 CO 0.07 -0.49 0.43 0.20 0.02 0.00 0.00 176.35 176.58 1ngw s ASN 137 N 1.78 6.82 -0.28 2.29 0.01 -0.57 -0.74 114.94 124.25 1ngw s ASN 137 Ca 0.04 0.98 -0.25 0.00 -0.71 0.00 0.00 52.86 52.93 1ngw s ASN 137 Cb -0.22 -2.26 0.04 0.00 0.41 0.00 0.00 41.25 39.21 1ngw s ASN 137 CO -0.02 0.29 0.41 0.59 -1.51 0.00 0.00 177.10 176.86 1ngw n ASN 138 N 1.98 -4.48 -4.25 -1.22 3.02 -1.02 -1.88 115.26 107.41 1ngw n ASN 138 Ca -0.13 -0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.24 1ngw n ASN 138 Cb 0.52 -1.25 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 1ngw n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ngw s PHE 139 N -1.06 1.35 -0.23 3.10 -0.71 -0.76 -4.66 117.98 115.00 1ngw s PHE 139 Ca 0.24 -1.28 -0.26 0.00 -1.04 0.00 0.00 56.93 54.58 1ngw s PHE 139 Cb -0.02 -0.73 0.08 0.00 -1.21 0.00 0.00 43.02 41.14 1ngw s PHE 139 CO 0.54 -0.49 0.76 -0.47 -1.34 0.00 0.00 175.22 174.22 1ngw s TYR 140 N -3.96 -0.71 0.70 3.49 5.04 -0.85 -1.04 117.35 120.02 1ngw s TYR 140 Ca 0.38 1.65 -0.12 0.00 -2.44 0.00 0.00 57.07 56.55 1ngw s TYR 140 Cb 0.07 0.31 0.17 0.00 0.35 0.00 0.00 41.96 42.86 1ngw s TYR 140 CO 0.13 -0.40 0.78 -0.35 -1.34 0.00 0.00 175.55 174.37 1ngw n PRO 141 N 2.25 -1.57 0.19 4.97 -0.04 -1.26 -1.19 135.00 138.35 1ngw n PRO 141 Ca -0.15 -1.22 0.13 0.00 -0.04 0.00 0.00 63.50 62.23 1ngw n PRO 141 Cb 0.56 -0.96 0.40 0.00 -0.04 0.00 0.00 33.50 33.46 1ngw n PRO 141 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1ngw h ARG 142 N 0.00 0.00 -5.76 0.54 0.11 -1.99 -3.43 114.38 103.85 1ngw h ARG 142 Ca -0.27 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.32 1ngw h ARG 142 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 1ngw h ARG 142 CO 0.18 0.00 1.55 -1.21 0.10 0.00 0.00 179.97 180.60 1ngw s GLU 143 N -3.29 2.38 -0.01 0.08 8.01 -1.26 -4.91 118.70 119.69 1ngw s GLU 143 Ca 0.06 1.36 0.01 0.00 0.01 0.00 0.00 54.97 56.41 1ngw s GLU 143 Cb 0.09 -4.51 0.01 0.00 -4.31 0.00 0.00 34.13 25.41 1ngw s GLU 143 CO 0.58 -2.97 -0.01 0.00 0.01 0.00 0.00 175.26 172.87 1ngw s ALA 144 N 10.93 0.23 -0.38 5.21 0.00 -1.26 -4.48 121.76 132.02 1ngw s ALA 144 Ca 0.92 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 1ngw s ALA 144 Cb -0.19 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1ngw s ALA 144 CO 0.27 -0.01 0.26 0.15 0.00 0.00 0.00 175.76 176.42 1ngw s LYS 145 N 0.47 3.12 -0.32 0.00 1.02 -1.23 -5.00 119.74 117.80 1ngw s LYS 145 Ca -0.04 -0.90 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 1ngw s LYS 145 Cb -0.07 -3.86 0.01 0.00 -0.52 0.00 0.00 37.83 33.39 1ngw s LYS 145 CO -0.01 -0.63 0.14 0.14 -0.92 0.00 0.00 175.35 174.07 1ngw s VAL 146 N 1.67 4.39 -0.13 3.17 -7.23 -1.26 -0.98 120.40 120.02 1ngw s VAL 146 Ca 0.05 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1ngw s VAL 146 Cb -0.18 -3.31 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 1ngw s VAL 146 CO 0.09 -0.02 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.14 1ngw s GLN 147 N 1.56 3.33 -0.23 4.82 0.74 0.49 -4.99 119.66 125.37 1ngw s GLN 147 Ca 0.03 -0.71 -0.16 0.00 0.05 0.00 0.00 55.36 54.57 1ngw s GLN 147 Cb -0.18 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 1ngw s GLN 147 CO 0.05 0.17 0.43 -1.58 -0.55 0.00 0.00 175.29 173.80 1ngw s TRP 148 N 0.46 3.32 -0.33 1.67 0.52 -1.26 -1.22 118.94 122.09 1ngw s TRP 148 Ca -0.10 0.58 0.03 0.00 0.02 0.00 0.00 56.10 56.62 1ngw s TRP 148 Cb -0.16 -2.59 0.10 0.00 -1.15 0.00 0.00 33.47 29.67 1ngw s TRP 148 CO 0.05 -0.13 0.06 0.15 0.02 0.00 0.00 176.95 177.09 1ngw s LYS 149 N 1.75 1.31 -0.19 4.98 1.02 0.21 -1.79 119.74 127.04 1ngw s LYS 149 Ca 0.19 -1.66 -0.23 0.00 0.02 0.00 0.00 55.97 54.29 1ngw s LYS 149 Cb -0.15 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1ngw s LYS 149 CO 0.09 -0.94 0.73 0.54 -0.92 0.00 0.00 175.35 174.85 1ngw s VAL 150 N 1.09 4.95 -0.39 3.17 0.11 0.70 -2.04 120.40 127.98 1ngw s VAL 150 Ca 0.10 1.41 -0.25 0.00 -2.93 0.00 0.00 61.98 60.31 1ngw s VAL 150 Cb -0.19 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1ngw s VAL 150 CO -0.12 0.06 0.50 0.47 -3.33 0.00 0.00 175.10 172.69 1ngw n ASP 151 N 5.17 -4.08 -0.47 3.54 9.92 0.64 0.11 116.55 131.39 1ngw n ASP 151 Ca 0.02 -0.24 -0.02 0.00 -0.53 0.00 0.00 54.79 54.01 1ngw n ASP 151 Cb 0.49 -1.21 -0.01 0.00 -0.64 0.00 0.00 41.12 39.75 1ngw n ASP 151 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1ngw n ASN 152 N -0.25 -1.67 -4.41 -2.24 5.03 -1.26 -4.89 115.26 105.57 1ngw n ASN 152 Ca -0.10 0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.08 1ngw n ASN 152 Cb 0.53 -1.52 -0.14 0.00 -1.02 0.00 0.00 39.78 37.63 1ngw n ASN 152 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ngw s ALA 153 N -0.77 2.53 0.07 5.41 0.00 0.12 -5.10 121.76 124.01 1ngw s ALA 153 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1ngw s ALA 153 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 1ngw s ALA 153 CO 0.00 0.48 0.65 -1.17 0.00 0.00 0.00 175.76 175.72 1ngw s LEU 154 N -0.44 4.50 0.55 0.00 2.96 -1.26 -0.22 118.68 124.77 1ngw s LEU 154 Ca 0.05 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.38 1ngw s LEU 154 Cb -0.12 -3.04 0.07 0.00 0.50 0.00 0.00 46.19 43.60 1ngw s LEU 154 CO 0.02 0.17 0.76 -1.10 -1.32 0.00 0.00 176.35 174.88 1ngw s GLN 155 N -0.71 2.38 -0.30 1.98 -1.52 -0.74 -4.94 119.66 115.81 1ngw s GLN 155 Ca 0.32 -1.46 -0.18 0.00 -1.95 0.00 0.00 55.36 52.09 1ngw s GLN 155 Cb -0.20 -2.64 0.18 0.00 -0.22 0.00 0.00 33.01 30.13 1ngw s GLN 155 CO 0.21 -0.77 1.25 -1.54 -0.25 0.00 0.00 175.29 174.18 1ngw s SER 156 N -4.59 -0.07 0.00 5.90 1.04 -1.26 -4.82 113.70 109.90 1ngw s SER 156 Ca 0.60 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1ngw s SER 156 Cb -0.07 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1ngw s SER 156 CO 0.38 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1ngw n GLY 157 N 5.34 1.79 2.08 7.32 0.00 -1.26 -4.92 105.19 115.54 1ngw n GLY 157 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1ngw n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ngw n ASN 158 N 0.00 4.08 -3.60 1.61 6.94 -1.26 -4.94 115.26 118.08 1ngw n ASN 158 Ca 0.00 -3.66 -0.14 0.00 -0.02 0.00 0.00 54.58 50.76 1ngw n ASN 158 Cb 0.00 -0.82 -0.07 0.00 -2.36 0.00 0.00 39.78 36.53 1ngw n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1ngw s SER 159 N -1.60 -0.64 0.32 0.53 1.04 -1.26 -1.77 113.70 110.32 1ngw s SER 159 Ca 0.56 1.08 0.10 0.00 0.48 0.00 0.00 55.95 58.17 1ngw s SER 159 Cb 0.47 1.04 -0.06 0.00 0.10 0.00 0.00 66.02 67.58 1ngw s SER 159 CO 0.08 -0.32 -0.11 -1.10 0.98 0.00 0.00 173.24 172.76 1ngw s GLN 160 N -0.13 1.73 0.00 4.02 -0.21 -1.01 -4.94 119.66 119.13 1ngw s GLN 160 Ca -0.02 -1.87 -0.05 0.00 0.02 0.00 0.00 55.36 53.44 1ngw s GLN 160 Cb -0.03 -1.61 -0.00 0.00 1.00 0.00 0.00 33.01 32.36 1ngw s GLN 160 CO 0.02 0.17 0.09 -1.83 -2.12 0.00 0.00 175.29 171.61 1ngw s GLU 161 N -3.61 0.38 0.04 2.91 -1.05 -1.26 -0.62 118.70 115.49 1ngw s GLU 161 Ca 0.31 -0.37 0.05 0.00 -0.15 0.00 0.00 54.97 54.82 1ngw s GLU 161 Cb 0.01 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1ngw s GLU 161 CO 0.15 -0.08 -0.15 0.45 0.95 0.00 0.00 175.26 176.57 1ngw s SER 162 N -1.18 1.83 -0.03 0.83 0.15 -0.52 -4.98 113.70 109.80 1ngw s SER 162 Ca -0.13 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.12 1ngw s SER 162 Cb -0.07 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1ngw s SER 162 CO 0.01 0.07 -0.18 -0.69 1.20 0.00 0.00 173.24 173.65 1ngw s VAL 163 N -0.80 1.47 0.90 4.45 1.01 -1.26 -0.98 120.40 125.18 1ngw s VAL 163 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1ngw s VAL 163 Cb -0.08 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.19 1ngw s VAL 163 CO 0.01 0.42 1.10 0.42 0.00 0.00 0.00 175.10 177.06 1ngw s THR 164 N -0.19 2.44 0.79 3.92 -4.23 0.36 -4.97 115.64 113.76 1ngw s THR 164 Ca 0.01 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.55 1ngw s THR 164 Cb -0.10 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 71.05 1ngw s THR 164 CO 0.01 -0.19 1.15 -1.61 -0.54 0.00 0.00 174.62 173.44 1ngw s GLU 165 N -5.08 2.16 0.17 3.99 0.41 -1.26 -4.62 118.70 114.46 1ngw s GLU 165 Ca 0.63 0.25 -0.32 0.00 -0.41 0.00 0.00 54.97 55.13 1ngw s GLU 165 Cb -0.16 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.12 1ngw s GLU 165 CO 0.55 -1.48 1.73 -1.14 -0.49 0.00 0.00 175.26 174.43 1ngw s GLN 166 N -5.47 4.15 0.11 1.61 0.74 -1.26 -4.77 119.66 114.76 1ngw s GLN 166 Ca 0.61 2.55 -0.34 0.00 0.05 0.00 0.00 55.36 58.24 1ngw s GLN 166 Cb -0.11 -3.26 -0.13 0.00 1.10 0.00 0.00 33.01 30.60 1ngw s GLN 166 CO 0.50 -0.76 1.67 -3.47 -0.55 0.00 0.00 175.29 172.69 1ngw n ASP 167 N 4.56 3.31 -0.14 6.67 4.64 0.84 -4.81 116.55 131.63 1ngw n ASP 167 Ca 0.16 1.05 0.00 0.00 -1.38 0.00 0.00 54.79 54.62 1ngw n ASP 167 Cb 0.37 -1.44 0.00 0.00 -1.04 0.00 0.00 41.12 39.01 1ngw n ASP 167 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1ngw n SER 168 N 4.31 0.16 0.00 1.67 3.41 -1.26 -1.68 113.62 120.23 1ngw n SER 168 Ca 0.18 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1ngw n SER 168 Cb 0.30 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1ngw n SER 168 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ngw n LYS 169 N -0.31 3.95 -0.01 4.33 -0.00 -1.26 -4.34 118.16 120.52 1ngw n LYS 169 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1ngw n LYS 169 Cb 0.04 -0.33 -0.07 0.00 -0.00 0.00 0.00 35.03 34.67 1ngw n LYS 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ngw n ASP 170 N 0.00 2.94 -0.16 -5.58 4.64 -1.22 -4.98 116.55 112.20 1ngw n ASP 170 Ca 0.00 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.39 1ngw n ASP 170 Cb 0.00 1.36 -0.01 0.00 -1.04 0.00 0.00 41.12 41.43 1ngw n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1ngw n SER 171 N -1.85 -4.66 -5.00 1.67 7.64 -0.67 -4.97 113.62 105.77 1ngw n SER 171 Ca -0.03 0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.73 1ngw n SER 171 Cb 0.28 -2.35 0.02 0.00 -1.01 0.00 0.00 64.21 61.15 1ngw n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ngw s THR 172 N -1.61 2.76 0.48 0.44 -4.23 -1.26 -4.70 115.64 107.51 1ngw s THR 172 Ca 0.00 -1.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1ngw s THR 172 Cb 0.00 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 1ngw s THR 172 CO 0.00 0.00 0.00 -0.31 -0.54 0.00 0.00 174.62 173.77 1ngw s TYR 173 N -2.44 2.08 -0.13 3.99 2.02 -0.21 -0.11 117.35 122.55 1ngw s TYR 173 Ca 0.55 -0.86 -0.16 0.00 -0.37 0.00 0.00 57.07 56.23 1ngw s TYR 173 Cb -0.08 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1ngw s TYR 173 CO 0.34 0.30 0.43 -1.12 -1.57 0.00 0.00 175.55 173.93 1ngw s SER 174 N -3.82 -0.42 0.01 2.29 0.01 -1.26 -1.83 113.70 108.67 1ngw s SER 174 Ca 0.15 0.72 0.04 0.00 1.31 0.00 0.00 55.95 58.16 1ngw s SER 174 Cb 0.04 0.76 -0.01 0.00 0.21 0.00 0.00 66.02 67.02 1ngw s SER 174 CO 0.08 -0.25 -0.11 -0.22 0.41 0.00 0.00 173.24 173.15 1ngw s LEU 175 N -0.18 2.09 0.03 2.44 0.20 0.08 -0.49 118.68 122.85 1ngw s LEU 175 Ca -0.04 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.54 1ngw s LEU 175 Cb -0.03 -0.51 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 1ngw s LEU 175 CO 0.02 0.06 -0.21 -0.94 -0.29 0.00 0.00 176.35 174.99 1ngw s SER 176 N -0.68 2.45 -0.05 3.68 1.04 -0.15 0.75 113.70 120.73 1ngw s SER 176 Ca 0.02 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1ngw s SER 176 Cb -0.06 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1ngw s SER 176 CO 0.00 0.18 -0.10 -0.55 0.98 0.00 0.00 173.24 173.75 1ngw s SER 177 N -1.02 1.53 -0.22 7.02 0.15 0.87 -1.44 113.70 120.59 1ngw s SER 177 Ca 0.07 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1ngw s SER 177 Cb -0.09 -0.67 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 1ngw s SER 177 CO 0.01 0.02 -0.16 0.42 1.20 0.00 0.00 173.24 174.73 1ngw s THR 178 N 0.64 2.10 -0.44 6.45 -4.23 0.21 -0.10 115.64 120.26 1ngw s THR 178 Ca -0.12 -1.25 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 1ngw s THR 178 Cb -0.15 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1ngw s THR 178 CO 0.03 0.29 0.98 -0.22 -0.54 0.00 0.00 174.62 175.15 1ngw s LEU 179 N 1.21 3.92 -0.40 4.79 2.96 0.17 -2.40 118.68 128.93 1ngw s LEU 179 Ca -0.01 0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 1ngw s LEU 179 Cb -0.16 -3.30 0.06 0.00 0.50 0.00 0.00 46.19 43.29 1ngw s LEU 179 CO -0.09 -1.05 0.22 -0.89 -1.32 0.00 0.00 176.35 173.21 1ngw s THR 180 N 3.85 4.19 0.40 3.68 2.01 -0.73 -1.00 115.64 128.05 1ngw s THR 180 Ca 0.40 -1.26 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1ngw s THR 180 Cb -0.10 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1ngw s THR 180 CO 0.26 -0.40 0.13 -1.48 -0.69 0.00 0.00 174.62 172.44 1ngw s LEU 181 N 1.44 1.99 0.41 4.42 0.05 -1.17 -4.80 118.68 121.02 1ngw s LEU 181 Ca 0.02 -1.66 -0.22 0.00 0.05 0.00 0.00 54.13 52.32 1ngw s LEU 181 Cb -0.22 -0.10 -0.10 0.00 -2.05 0.00 0.00 46.19 43.72 1ngw s LEU 181 CO 0.03 -0.92 0.96 -0.94 -0.55 0.00 0.00 176.35 174.93 1ngw s SER 182 N -3.59 6.97 0.66 1.48 1.04 -1.26 -1.28 113.70 117.71 1ngw s SER 182 Ca 0.25 1.76 0.33 0.00 0.48 0.00 0.00 55.95 58.78 1ngw s SER 182 Cb 0.03 -2.55 1.82 0.00 0.10 0.00 0.00 66.02 65.42 1ngw s SER 182 CO 0.15 -0.34 2.04 0.50 0.98 0.00 0.00 173.24 176.58 1ngw h LYS 183 N 2.21 0.00 0.00 4.02 3.64 -1.82 -2.29 116.57 122.32 1ngw h LYS 183 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ngw h LYS 183 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ngw h LYS 183 CO 0.62 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1ngw n ALA 184 N -1.99 -0.21 -0.12 5.00 0.00 -1.26 -3.06 120.51 118.88 1ngw n ALA 184 Ca -0.02 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 1ngw n ALA 184 Cb 0.31 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.41 1ngw n ALA 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ngw h ASP 185 N 0.00 0.11 -0.53 0.00 3.32 -1.86 -1.40 116.42 116.07 1ngw h ASP 185 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1ngw h ASP 185 Cb 0.00 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1ngw h ASP 185 CO 0.00 0.05 0.13 0.22 -1.72 0.00 0.00 179.24 177.92 1ngw h TYR 186 N 0.12 0.93 0.00 4.55 5.03 -1.51 -1.95 116.97 124.14 1ngw h TYR 186 Ca 0.36 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.56 1ngw h TYR 186 Cb 1.24 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 39.25 1ngw h TYR 186 CO -0.00 0.78 -0.04 0.93 -1.32 0.00 0.00 178.16 178.51 1ngw h GLU 187 N 0.86 0.00 0.00 1.82 5.08 -1.17 -3.36 114.58 117.80 1ngw h GLU 187 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ngw h GLU 187 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ngw h GLU 187 CO 0.00 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 1ngw n LYS 188 N -3.14 0.00 -0.81 2.33 5.02 -0.75 -4.90 118.16 115.91 1ngw n LYS 188 Ca 0.01 0.30 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 1ngw n LYS 188 Cb 0.36 -0.94 0.20 0.00 -0.02 0.00 0.00 35.03 34.63 1ngw n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ngw s HIS 189 N -1.04 1.73 0.00 2.13 3.76 -1.13 -5.01 115.29 115.73 1ngw s HIS 189 Ca 0.00 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 1ngw s HIS 189 Cb 0.00 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.51 1ngw s HIS 189 CO 0.00 -3.18 0.00 1.63 -0.85 0.00 0.00 174.74 172.34 1ngw n LYS 190 N -4.44 3.06 -3.52 1.40 4.76 -1.26 -4.88 118.16 113.28 1ngw n LYS 190 Ca 0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 1ngw n LYS 190 Cb 0.54 -0.91 -0.10 0.00 -1.84 0.00 0.00 35.03 32.72 1ngw n LYS 190 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ngw s VAL 191 N -1.81 5.02 -0.31 -0.18 1.01 -1.26 -2.89 120.40 119.98 1ngw s VAL 191 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1ngw s VAL 191 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1ngw s VAL 191 CO 0.00 -0.26 0.14 -0.31 0.00 0.00 0.00 175.10 174.68 1ngw s TYR 192 N 1.64 3.17 -0.01 5.22 1.51 -0.60 -0.26 117.35 128.03 1ngw s TYR 192 Ca 0.04 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.58 1ngw s TYR 192 Cb -0.19 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 1ngw s TYR 192 CO 0.09 -0.46 -0.21 0.00 -1.11 0.00 0.00 175.55 173.86 1ngw s ALA 193 N 1.61 1.74 -0.19 3.71 0.00 -0.86 -1.05 121.76 126.72 1ngw s ALA 193 Ca 0.05 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1ngw s ALA 193 Cb -0.17 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1ngw s ALA 193 CO 0.06 0.42 -0.18 0.00 0.00 0.00 0.00 175.76 176.06 1ngw s GLU 195 N 1.30 3.14 -0.11 0.00 2.02 -0.36 -1.60 118.70 123.08 1ngw s GLU 195 Ca 0.04 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1ngw s GLU 195 Cb -0.13 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1ngw s GLU 195 CO -0.12 0.06 -0.23 0.54 0.02 0.00 0.00 175.26 175.54 1ngw s VAL 196 N 0.67 2.00 -0.78 2.63 0.11 -0.39 -0.38 120.40 124.25 1ngw s VAL 196 Ca -0.09 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 1ngw s VAL 196 Cb -0.16 -1.74 0.20 0.00 -1.53 0.00 0.00 36.38 33.15 1ngw s VAL 196 CO 0.02 0.54 0.65 0.42 -3.33 0.00 0.00 175.10 173.40 1ngw s THR 197 N 0.52 4.35 0.26 5.04 -4.23 -0.15 -2.64 115.64 118.79 1ngw s THR 197 Ca -0.15 -3.27 -0.07 0.00 -1.18 0.00 0.00 61.69 57.02 1ngw s THR 197 Cb -0.17 -3.74 -0.06 0.00 1.34 0.00 0.00 72.50 69.87 1ngw s THR 197 CO 0.05 -1.00 0.55 -2.28 -0.54 0.00 0.00 174.62 171.41 1ngw s HIS 198 N -0.59 3.46 -0.40 3.99 2.46 -1.26 -3.54 115.29 119.41 1ngw s HIS 198 Ca 0.22 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.49 1ngw s HIS 198 Cb -0.13 -2.17 0.00 0.00 -0.13 0.00 0.00 32.58 30.14 1ngw s HIS 198 CO -0.08 0.21 0.62 1.04 -2.47 0.00 0.00 174.74 174.06 1ngw n GLN 199 N -0.59 0.77 0.00 2.88 1.13 -1.26 -2.27 117.38 118.04 1ngw n GLN 199 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1ngw n GLN 199 Cb 0.53 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.66 1ngw n GLN 199 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ngw n GLY 200 N 0.42 -0.34 3.52 1.08 0.00 -1.26 -5.03 105.19 103.58 1ngw n GLY 200 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ngw n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngw s LEU 201 N -0.13 2.67 -0.19 0.99 2.01 -0.96 -4.75 118.68 118.32 1ngw s LEU 201 Ca 0.00 -1.22 -0.21 0.00 0.01 0.00 0.00 54.13 52.71 1ngw s LEU 201 Cb 0.00 -0.88 -0.19 0.00 0.01 0.00 0.00 46.19 45.13 1ngw s LEU 201 CO 0.00 -0.28 0.27 0.77 1.01 0.00 0.00 176.35 178.12 1ngw h SER 202 N 2.06 0.00 -3.25 2.29 4.64 -1.97 -3.47 113.55 113.84 1ngw h SER 202 Ca -0.42 -0.54 -0.55 0.00 -0.47 0.00 0.00 61.79 59.82 1ngw h SER 202 Cb 1.24 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 1ngw h SER 202 CO 0.71 1.33 -0.78 -0.44 -0.87 0.00 0.00 176.83 176.78 1ngw s SER 203 N -6.63 2.93 -0.14 4.97 0.01 -1.26 -5.09 113.70 108.48 1ngw s SER 203 Ca -0.25 -0.91 -0.31 0.00 1.31 0.00 0.00 55.95 55.79 1ngw s SER 203 Cb 0.04 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.99 1ngw s SER 203 CO 0.57 -0.02 2.08 -0.81 0.41 0.00 0.00 173.24 175.47 1ngw n PRO 204 N 0.07 2.12 -2.83 12.44 -0.04 -1.26 -4.96 135.00 140.55 1ngw n PRO 204 Ca -0.11 0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 63.66 1ngw n PRO 204 Cb 0.58 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 31.04 1ngw n PRO 204 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ngw s VAL 205 N 6.22 4.21 -0.03 0.52 1.01 -1.08 -4.84 120.40 126.40 1ngw s VAL 205 Ca 0.97 1.87 -0.05 0.00 0.00 0.00 0.00 61.98 64.78 1ngw s VAL 205 Cb -0.52 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 31.72 1ngw s VAL 205 CO 0.43 0.35 0.11 0.28 0.00 0.00 0.00 175.10 176.27 1ngw s THR 206 N -1.36 0.03 0.03 3.92 -1.32 -1.26 -1.26 115.64 114.42 1ngw s THR 206 Ca 0.44 -0.22 0.09 0.00 -1.21 0.00 0.00 61.69 60.78 1ngw s THR 206 Cb -0.22 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1ngw s THR 206 CO 0.27 -0.12 -0.25 -0.54 -2.21 0.00 0.00 174.62 171.77 1ngw s LYS 207 N -0.37 1.91 0.26 7.08 -0.14 -0.63 -4.98 119.74 122.86 1ngw s LYS 207 Ca -0.05 -1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 53.31 1ngw s LYS 207 Cb -0.03 -2.03 0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1ngw s LYS 207 CO 0.00 0.53 0.67 -1.54 -0.76 0.00 0.00 175.35 174.25 1ngw s SER 208 N -1.17 -0.25 0.35 2.83 1.04 -1.26 -0.69 113.70 114.53 1ngw s SER 208 Ca 0.12 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1ngw s SER 208 Cb -0.10 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1ngw s SER 208 CO 0.02 -1.28 0.41 2.22 0.98 0.00 0.00 173.24 175.59 1ngw n PHE 209 N -0.44 -1.19 -3.69 5.02 1.16 -0.22 -5.00 117.46 113.10 1ngw n PHE 209 Ca -0.05 -2.55 -0.16 0.00 -1.87 0.00 0.00 57.45 52.81 1ngw n PHE 209 Cb 0.60 0.45 -0.16 0.00 -1.61 0.00 0.00 39.48 38.76 1ngw n PHE 209 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ngw s ASN 210 N -3.25 0.58 -0.76 5.98 2.20 -1.25 -1.55 114.94 116.88 1ngw s ASN 210 Ca 0.34 0.26 -0.27 0.00 -0.94 0.00 0.00 52.86 52.25 1ngw s ASN 210 Cb 0.00 0.16 -0.18 0.00 -2.00 0.00 0.00 41.25 39.23 1ngw s ASN 210 CO 0.24 -0.22 2.14 0.54 -2.94 0.00 0.00 177.10 176.87 1ngw n ARG 211 N 4.99 0.00 -0.06 3.55 1.74 -1.14 -4.79 116.66 120.94 1ngw n ARG 211 Ca -0.11 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.92 1ngw n ARG 211 Cb 0.50 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 1ngw n ARG 211 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ngw n ASN 212 N 8.24 1.56 0.00 0.55 5.03 -1.26 -5.12 115.26 124.26 1ngw n ASN 212 Ca 0.53 0.51 0.00 0.00 0.87 0.00 0.00 54.58 56.49 1ngw n ASN 212 Cb 0.02 -0.79 0.00 0.00 -1.02 0.00 0.00 39.78 37.99 1ngw n ASN 212 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64