#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfi n SER 2 N 0.00 -2.95 0.00 1.61 2.88 -1.26 -4.48 113.62 109.41 1wfi n SER 2 Ca 0.00 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1wfi n SER 2 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1wfi n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfi n SER 3 N -0.03 0.00 0.00 -3.46 7.64 -1.26 -5.06 113.62 111.44 1wfi n SER 3 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wfi n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1wfi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfi n GLY 4 N 1.89 0.43 1.43 0.23 0.00 -1.26 -5.14 105.19 102.78 1wfi n GLY 4 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1wfi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfi n SER 5 N 0.00 -7.73 -3.85 1.61 2.88 -1.26 -5.02 113.62 100.24 1wfi n SER 5 Ca 0.00 1.67 -0.12 0.00 -1.33 0.00 0.00 58.87 59.10 1wfi n SER 5 Cb 0.00 -4.63 -0.12 0.00 -0.75 0.00 0.00 64.21 58.72 1wfi n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfi s SER 6 N -5.54 -0.06 0.27 -3.46 0.15 -1.26 -5.07 113.70 98.73 1wfi s SER 6 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1wfi s SER 6 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1wfi s SER 6 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1wfi n GLY 7 N 2.44 -0.21 0.00 9.45 0.00 -1.26 -4.87 105.19 110.74 1wfi n GLY 7 Ca -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1wfi n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfi n PRO 8 N 0.00 0.67 -1.57 1.61 -0.04 -1.26 -4.48 135.00 129.94 1wfi n PRO 8 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1wfi n PRO 8 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 1wfi n PRO 8 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wfi n ASN 9 N -0.65 7.42 -3.61 3.54 3.02 -1.25 -4.77 115.26 118.96 1wfi n ASN 9 Ca 0.00 -3.80 -0.04 0.00 -0.03 0.00 0.00 54.58 50.71 1wfi n ASN 9 Cb 0.00 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wfi s TYR 10 N -3.88 -0.13 0.05 3.10 -0.85 -1.26 -4.89 117.35 109.50 1wfi s TYR 10 Ca 0.60 0.15 -0.25 0.00 -0.52 0.00 0.00 57.07 57.04 1wfi s TYR 10 Cb 0.48 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 43.26 1wfi s TYR 10 CO -0.13 -0.16 0.78 1.03 -1.52 0.00 0.00 175.55 175.55 1wfi s ARG 11 N -1.77 4.51 -0.09 -3.49 0.52 -0.62 -4.94 118.95 113.06 1wfi s ARG 11 Ca 0.08 1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 56.31 1wfi s ARG 11 Cb -0.01 -3.36 0.03 0.00 0.52 0.00 0.00 34.95 32.13 1wfi s ARG 11 CO -0.05 0.29 0.24 1.67 0.02 0.00 0.00 175.30 177.47 1wfi s TRP 12 N -0.08 -0.28 0.00 -0.53 1.48 -1.26 0.23 118.94 118.50 1wfi s TRP 12 Ca 0.39 0.69 0.00 0.00 -1.06 0.00 0.00 56.10 56.12 1wfi s TRP 12 Cb -0.21 0.08 0.00 0.00 -1.16 0.00 0.00 33.47 32.18 1wfi s TRP 12 CO 0.24 -0.16 0.00 0.25 -4.06 0.00 0.00 176.95 173.21 1wfi n THR 13 N 3.38 0.00 -3.60 0.66 -2.24 0.48 -4.97 114.28 108.00 1wfi n THR 13 Ca -0.17 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1wfi n THR 13 Cb 0.57 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi s GLN 14 N -1.43 0.06 -0.42 -0.78 0.00 -1.26 -0.59 119.66 115.24 1wfi s GLN 14 Ca 0.00 -0.03 0.10 0.00 -0.00 0.00 0.00 55.36 55.43 1wfi s GLN 14 Cb 0.00 0.02 0.39 0.00 0.00 0.00 0.00 33.01 33.42 1wfi s GLN 14 CO 0.00 -0.03 0.93 -2.37 0.00 0.00 0.00 175.29 173.82 1wfi n THR 15 N -0.29 1.49 -2.13 3.63 5.66 0.05 -4.90 114.28 117.79 1wfi n THR 15 Ca -0.03 -4.52 -0.08 0.00 -3.05 0.00 0.00 64.05 56.37 1wfi n THR 15 Cb 0.61 -0.52 -0.01 0.00 -1.55 0.00 0.00 70.33 68.85 1wfi n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1wfi n LEU 16 N -0.11 -0.69 0.01 1.09 7.99 -1.26 -4.11 117.00 119.92 1wfi n LEU 16 Ca 0.25 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.53 1wfi n LEU 16 Cb 0.64 -1.64 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 1wfi n LEU 16 CO 0.28 -0.17 0.00 0.00 -1.51 0.00 0.00 177.39 175.99 1wfi n ALA 17 N -1.72 0.00 -2.29 -1.18 0.00 -1.26 -4.06 120.51 110.01 1wfi n ALA 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1wfi n ALA 17 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 1wfi n ALA 17 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfi s GLU 18 N -1.08 3.82 -0.13 0.00 2.02 -1.26 -0.06 118.70 122.00 1wfi s GLU 18 Ca 0.00 0.40 0.02 0.00 0.02 0.00 0.00 54.97 55.41 1wfi s GLU 18 Cb 0.00 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.73 1wfi s GLU 18 CO 0.00 0.15 -0.21 -0.51 0.02 0.00 0.00 175.26 174.71 1wfi s LEU 19 N -3.30 2.02 -0.13 1.80 1.43 0.53 -0.77 118.68 120.26 1wfi s LEU 19 Ca 0.50 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1wfi s LEU 19 Cb -0.11 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1wfi s LEU 19 CO 0.25 0.07 -0.04 -1.81 0.23 0.00 0.00 176.35 175.05 1wfi s ASP 20 N 0.83 4.80 -0.02 2.29 1.11 0.24 0.17 116.67 126.10 1wfi s ASP 20 Ca -0.08 -0.09 0.01 0.00 0.18 0.00 0.00 52.55 52.58 1wfi s ASP 20 Cb -0.16 -1.65 0.01 0.00 1.07 0.00 0.00 42.92 42.20 1wfi s ASP 20 CO -0.01 0.22 -0.02 -0.22 1.18 0.00 0.00 175.17 176.32 1wfi s LEU 21 N 0.04 1.63 -0.02 1.23 1.98 0.11 0.18 118.68 123.83 1wfi s LEU 21 Ca 0.00 -0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.18 1wfi s LEU 21 Cb -0.13 -0.23 0.03 0.00 0.66 0.00 0.00 46.19 46.52 1wfi s LEU 21 CO 0.03 -0.02 0.02 0.00 -1.89 0.00 0.00 176.35 174.49 1wfi s ALA 22 N 0.41 0.16 -0.26 5.97 0.00 0.14 0.20 121.76 128.38 1wfi s ALA 22 Ca -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1wfi s ALA 22 Cb -0.07 -0.29 0.08 0.00 0.00 0.00 0.00 23.12 22.83 1wfi s ALA 22 CO -0.01 -0.12 0.05 0.08 0.00 0.00 0.00 175.76 175.77 1wfi s VAL 23 N 1.13 0.83 0.44 0.00 1.01 0.40 -1.60 120.40 122.61 1wfi s VAL 23 Ca -0.08 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1wfi s VAL 23 Cb -0.13 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1wfi s VAL 23 CO -0.03 -0.43 1.05 -2.16 0.00 0.00 0.00 175.10 173.53 1wfi s PRO 24 N 1.68 4.00 0.35 2.72 0.04 -1.26 0.03 135.00 142.56 1wfi s PRO 24 Ca 0.04 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.58 1wfi s PRO 24 Cb -0.17 -2.35 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 1wfi s PRO 24 CO -0.16 -0.27 0.02 -0.06 0.04 0.00 0.00 177.00 176.56 1wfi s PHE 25 N -1.79 2.18 -0.78 0.56 0.08 -0.93 -4.92 117.98 112.38 1wfi s PHE 25 Ca 0.62 -0.81 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1wfi s PHE 25 Cb -0.20 -1.45 0.20 0.00 -0.57 0.00 0.00 43.02 41.01 1wfi s PHE 25 CO 0.24 0.22 0.69 1.03 -0.10 0.00 0.00 175.22 177.30 1wfi s ARG 26 N -3.80 3.36 0.26 0.44 1.81 -1.26 -4.84 118.95 114.92 1wfi s ARG 26 Ca 0.35 -2.46 0.01 0.00 -1.72 0.00 0.00 55.73 51.91 1wfi s ARG 26 Cb 0.08 -4.27 -0.05 0.00 -0.45 0.00 0.00 34.95 30.26 1wfi s ARG 26 CO 0.16 -1.27 0.09 0.14 -0.68 0.00 0.00 175.30 173.75 1wfi s VAL 27 N 0.15 0.59 -0.27 3.52 -7.23 -1.26 -5.05 120.40 110.85 1wfi s VAL 27 Ca 0.17 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1wfi s VAL 27 Cb -0.13 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.22 1wfi s VAL 27 CO -0.07 -0.02 0.75 -0.24 -0.31 0.00 0.00 175.10 175.21 1wfi n SER 28 N -0.47 1.56 -4.13 4.85 2.88 -1.26 -5.04 113.62 112.01 1wfi n SER 28 Ca -0.00 -1.42 -0.23 0.00 -1.33 0.00 0.00 58.87 55.88 1wfi n SER 28 Cb 0.66 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 64.02 1wfi n SER 28 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1wfi s PHE 29 N -0.49 1.77 -0.56 0.66 -0.12 -1.26 -5.10 117.98 112.89 1wfi s PHE 29 Ca 0.04 -1.26 -0.26 0.00 -0.05 0.00 0.00 56.93 55.39 1wfi s PHE 29 Cb 0.02 -1.11 0.03 0.00 -0.63 0.00 0.00 43.02 41.34 1wfi s PHE 29 CO 0.03 -0.31 1.08 1.03 -0.05 0.00 0.00 175.22 177.00 1wfi s ARG 30 N -3.76 3.45 0.14 1.99 3.00 -1.25 -4.67 118.95 117.85 1wfi s ARG 30 Ca 0.29 0.05 -0.31 0.00 0.00 0.00 0.00 55.73 55.76 1wfi s ARG 30 Cb 0.04 -4.02 -0.09 0.00 0.00 0.00 0.00 34.95 30.88 1wfi s ARG 30 CO 0.16 -1.57 1.43 -0.51 0.00 0.00 0.00 175.30 174.81 1wfi s LEU 31 N 4.47 4.37 0.00 2.53 1.43 -0.03 -4.96 118.68 126.50 1wfi s LEU 31 Ca 0.38 2.42 0.02 0.00 -1.03 0.00 0.00 54.13 55.92 1wfi s LEU 31 Cb -0.10 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1wfi s LEU 31 CO 0.23 -0.69 0.18 0.29 0.23 0.00 0.00 176.35 176.59 1wfi n LYS 32 N 3.77 1.07 -1.19 1.70 4.76 -1.26 -4.52 118.16 122.49 1wfi n LYS 32 Ca 0.11 -0.97 -0.25 0.00 -2.87 0.00 0.00 58.31 54.33 1wfi n LYS 32 Cb 0.41 0.02 0.03 0.00 -1.84 0.00 0.00 35.03 33.66 1wfi n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfi n GLY 33 N 2.98 4.74 0.45 0.72 0.00 -1.26 -3.93 105.19 108.88 1wfi n GLY 33 Ca 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1wfi n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfi n LYS 34 N 0.02 0.00 -0.73 1.61 2.85 -1.26 -4.78 118.16 115.87 1wfi n LYS 34 Ca 0.44 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.56 1wfi n LYS 34 Cb 0.57 -0.55 0.06 0.00 -0.65 0.00 0.00 35.03 34.46 1wfi n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wfi n ASP 35 N -2.10 5.02 -3.99 -5.58 -0.08 -1.25 -4.84 116.55 103.74 1wfi n ASP 35 Ca 0.00 -2.90 -0.10 0.00 -1.51 0.00 0.00 54.79 50.28 1wfi n ASP 35 Cb 0.19 -0.88 -0.07 0.00 2.34 0.00 0.00 41.12 42.70 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wfi s VAL 36 N -1.89 0.05 -0.32 5.18 0.11 -1.26 -3.84 120.40 118.44 1wfi s VAL 36 Ca 0.28 -1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 57.87 1wfi s VAL 36 Cb 0.23 -1.93 0.11 0.00 -1.53 0.00 0.00 36.38 33.25 1wfi s VAL 36 CO 0.02 -0.24 0.15 -0.69 -3.33 0.00 0.00 175.10 171.01 1wfi s VAL 37 N -3.99 0.21 -0.41 2.04 1.01 0.24 -4.49 120.40 115.01 1wfi s VAL 37 Ca 0.19 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 1wfi s VAL 37 Cb 0.03 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.34 1wfi s VAL 37 CO 0.02 -0.80 0.21 -0.69 0.00 0.00 0.00 175.10 173.84 1wfi s VAL 38 N 1.67 3.47 -0.42 2.92 1.01 -1.26 -2.04 120.40 125.75 1wfi s VAL 38 Ca 0.12 -1.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.02 1wfi s VAL 38 Cb -0.18 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1wfi s VAL 38 CO -0.23 -0.63 0.56 -0.62 0.00 0.00 0.00 175.10 174.18 1wfi s ASP 39 N 1.91 6.28 -0.49 3.32 -1.08 0.22 -4.97 116.67 121.85 1wfi s ASP 39 Ca 0.06 -0.42 -0.13 0.00 -0.52 0.00 0.00 52.55 51.54 1wfi s ASP 39 Cb -0.23 -2.28 0.11 0.00 -1.46 0.00 0.00 42.92 39.06 1wfi s ASP 39 CO -0.03 -0.68 0.40 -0.63 0.52 0.00 0.00 175.17 174.75 1wfi s ILE 40 N 2.55 4.80 0.57 4.11 1.01 -1.26 -1.71 121.20 131.26 1wfi s ILE 40 Ca 0.19 -1.48 0.08 0.00 0.00 0.00 0.00 60.65 59.43 1wfi s ILE 40 Cb -0.15 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.35 1wfi s ILE 40 CO 0.17 -0.74 0.62 -1.10 0.00 0.00 0.00 174.94 173.89 1wfi s GLN 41 N 1.52 2.25 0.03 2.79 -1.52 -0.50 -4.85 119.66 119.37 1wfi s GLN 41 Ca 0.04 -1.85 -0.24 0.00 -1.95 0.00 0.00 55.36 51.36 1wfi s GLN 41 Cb -0.27 -2.38 -0.16 0.00 -0.22 0.00 0.00 33.01 29.98 1wfi s GLN 41 CO 0.03 -0.79 1.44 -0.09 -0.25 0.00 0.00 175.29 175.63 1wfi h ARG 42 N 0.41 0.09 -1.60 2.91 9.65 -1.96 -3.36 114.38 120.52 1wfi h ARG 42 Ca -0.32 -0.03 -0.47 0.00 -1.10 0.00 0.00 59.98 58.06 1wfi h ARG 42 Cb 1.30 -0.01 -0.41 0.00 -1.39 0.00 0.00 29.97 29.46 1wfi h ARG 42 CO 0.48 0.39 -1.06 -2.13 2.80 0.00 0.00 179.97 180.45 1wfi n ARG 43 N -4.87 1.69 -3.65 0.20 0.63 -1.26 0.92 116.66 110.32 1wfi n ARG 43 Ca -0.07 -3.69 -0.04 0.00 -0.92 0.00 0.00 57.85 53.13 1wfi n ARG 43 Cb 0.19 -1.68 -0.07 0.00 0.45 0.00 0.00 32.46 31.35 1wfi n ARG 43 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wfi s HIS 44 N -2.98 -0.24 -0.10 -0.14 2.46 -1.26 -2.85 115.29 110.18 1wfi s HIS 44 Ca 0.38 0.55 -0.01 0.00 0.47 0.00 0.00 55.06 56.45 1wfi s HIS 44 Cb 0.39 0.37 0.03 0.00 -0.13 0.00 0.00 32.58 33.24 1wfi s HIS 44 CO -0.06 -0.11 -0.06 -1.17 -2.47 0.00 0.00 174.74 170.87 1wfi s LEU 45 N 0.36 1.06 -0.21 8.88 2.96 -1.09 -1.42 118.68 129.23 1wfi s LEU 45 Ca 0.02 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1wfi s LEU 45 Cb -0.04 -0.75 0.04 0.00 0.50 0.00 0.00 46.19 45.94 1wfi s LEU 45 CO -0.12 -0.13 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.06 1wfi s ARG 46 N 1.75 2.19 0.09 1.98 3.52 -0.70 -2.46 118.95 125.33 1wfi s ARG 46 Ca 0.05 -0.94 0.09 0.00 -0.13 0.00 0.00 55.73 54.80 1wfi s ARG 46 Cb -0.13 -2.53 -0.03 0.00 -1.56 0.00 0.00 34.95 30.70 1wfi s ARG 46 CO -0.07 -0.43 -0.24 0.08 -0.81 0.00 0.00 175.30 173.83 1wfi s VAL 47 N 1.32 1.95 0.00 7.11 1.01 -0.40 0.70 120.40 132.09 1wfi s VAL 47 Ca -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1wfi s VAL 47 Cb -0.17 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1wfi s VAL 47 CO -0.08 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1wfi n GLY 48 N 1.29 3.06 3.73 4.51 0.00 -0.87 0.16 105.19 117.06 1wfi n GLY 48 Ca -0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1wfi n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfi s LEU 49 N 0.00 4.47 0.09 0.99 2.01 -1.26 0.82 118.68 125.80 1wfi s LEU 49 Ca 0.00 1.84 -0.34 0.00 0.01 0.00 0.00 54.13 55.64 1wfi s LEU 49 Cb 0.00 -3.59 -0.18 0.00 0.01 0.00 0.00 46.19 42.43 1wfi s LEU 49 CO 0.00 -0.16 0.81 1.17 1.01 0.00 0.00 176.35 179.18 1wfi n LYS 50 N 2.98 0.00 0.00 1.70 4.81 -1.25 0.92 118.16 127.32 1wfi n LYS 50 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1wfi n LYS 50 Cb 0.49 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfi n GLY 51 N 1.71 1.17 3.70 3.14 0.00 -1.26 -4.94 105.19 108.71 1wfi n GLY 51 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1wfi n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfi s GLN 52 N 0.00 0.47 0.51 1.61 -1.52 0.26 -5.01 119.66 115.98 1wfi s GLN 52 Ca 0.00 0.39 -0.19 0.00 -1.95 0.00 0.00 55.36 53.61 1wfi s GLN 52 Cb 0.00 -1.75 -0.08 0.00 -0.22 0.00 0.00 33.01 30.96 1wfi s GLN 52 CO 0.00 -2.67 1.04 -1.25 -0.25 0.00 0.00 175.29 172.15 1wfi s PRO 53 N -5.08 3.71 -0.19 2.91 0.04 -1.26 -4.51 135.00 130.62 1wfi s PRO 53 Ca 0.65 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1wfi s PRO 53 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1wfi s PRO 53 CO 0.56 -0.50 1.29 -1.25 0.04 0.00 0.00 177.00 177.14 1wfi s PRO 54 N -3.42 4.16 0.00 0.56 0.04 -1.26 -4.14 135.00 130.94 1wfi s PRO 54 Ca 0.66 1.59 0.25 0.00 0.04 0.00 0.00 61.00 63.55 1wfi s PRO 54 Cb -0.16 -3.80 1.50 0.00 0.04 0.00 0.00 34.50 32.08 1wfi s PRO 54 CO 0.23 -0.81 1.91 1.55 0.04 0.00 0.00 177.00 179.93 1wfi n VAL 55 N 5.57 0.00 -3.71 -0.36 3.14 0.41 -4.67 118.33 118.71 1wfi n VAL 55 Ca 0.14 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.41 1wfi n VAL 55 Cb 0.45 -0.48 -0.10 0.00 -1.06 0.00 0.00 33.84 32.65 1wfi n VAL 55 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wfi s VAL 56 N -2.00 -0.01 -0.30 1.55 1.01 -0.74 -4.84 120.40 115.08 1wfi s VAL 56 Ca 0.38 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1wfi s VAL 56 Cb 0.17 -0.61 0.19 0.00 0.00 0.00 0.00 36.38 36.13 1wfi s VAL 56 CO 0.29 0.02 1.17 -0.62 0.00 0.00 0.00 175.10 175.96 1wfi s ASP 57 N 0.84 -0.24 0.00 3.32 -1.08 -1.03 -1.27 116.67 117.22 1wfi s ASP 57 Ca -0.05 0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 1wfi s ASP 57 Cb -0.06 1.19 0.00 0.00 -1.46 0.00 0.00 42.92 42.59 1wfi s ASP 57 CO -0.07 -0.05 0.00 0.61 0.52 0.00 0.00 175.17 176.18 1wfi n GLY 58 N 3.96 3.03 3.58 2.66 0.00 -1.22 -2.98 105.19 114.21 1wfi n GLY 58 Ca -0.13 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1wfi n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfi s GLU 59 N -2.00 3.45 1.00 1.61 2.12 -1.26 -2.66 118.70 120.96 1wfi s GLU 59 Ca 0.00 0.45 -0.19 0.00 0.36 0.00 0.00 54.97 55.59 1wfi s GLU 59 Cb 0.00 -4.05 -0.13 0.00 0.26 0.00 0.00 34.13 30.20 1wfi s GLU 59 CO 0.00 -1.75 -0.84 1.28 -0.54 0.00 0.00 175.26 173.41 1wfi n LEU 60 N 8.92 -4.66 0.26 2.70 4.77 -1.13 -0.28 117.00 127.57 1wfi n LEU 60 Ca 0.11 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1wfi n LEU 60 Cb 0.49 -0.75 0.70 0.00 -2.33 0.00 0.00 43.42 41.53 1wfi n LEU 60 CO 0.71 -4.90 1.04 0.22 -1.33 0.00 0.00 177.39 173.13 1wfi h TYR 61 N -1.09 0.00 -2.78 -1.77 3.20 -1.85 -3.37 116.97 109.31 1wfi h TYR 61 Ca -0.43 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.51 1wfi h TYR 61 Cb 1.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 1wfi h TYR 61 CO 0.18 0.06 0.41 1.21 -1.64 0.00 0.00 178.16 178.37 1wfi s ASN 62 N -6.69 -0.02 0.69 -2.11 2.47 -1.26 -4.94 114.94 103.08 1wfi s ASN 62 Ca -0.04 -0.89 -0.16 0.00 0.42 0.00 0.00 52.86 52.19 1wfi s ASN 62 Cb 0.16 0.69 0.02 0.00 -1.45 0.00 0.00 41.25 40.66 1wfi s ASN 62 CO 0.63 -1.35 1.19 -1.61 -3.72 0.00 0.00 177.10 172.24 1wfi s GLU 63 N -2.41 2.44 -0.10 0.43 2.02 -1.26 -4.53 118.70 115.29 1wfi s GLU 63 Ca 0.17 1.70 -0.08 0.00 0.02 0.00 0.00 54.97 56.79 1wfi s GLU 63 Cb -0.04 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.35 1wfi s GLU 63 CO 0.08 -1.59 0.25 0.14 0.02 0.00 0.00 175.26 174.16 1wfi s VAL 64 N -1.98 -0.01 -0.40 2.63 -7.23 0.26 -3.42 120.40 110.25 1wfi s VAL 64 Ca 0.73 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.65 1wfi s VAL 64 Cb -0.28 -0.37 -0.09 0.00 0.56 0.00 0.00 36.38 36.21 1wfi s VAL 64 CO 0.42 0.02 2.30 1.17 -0.31 0.00 0.00 175.10 178.70 1wfi n LYS 65 N 3.39 1.25 0.10 4.82 3.00 0.36 -4.36 118.16 126.71 1wfi n LYS 65 Ca -0.17 0.27 0.02 0.00 -0.00 0.00 0.00 58.31 58.43 1wfi n LYS 65 Cb 0.56 -2.86 -0.01 0.00 0.00 0.00 0.00 35.03 32.72 1wfi n LYS 65 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1wfi h VAL 66 N 7.34 0.66 -0.23 3.15 -1.51 -1.86 -2.05 116.25 121.74 1wfi h VAL 66 Ca -0.29 -2.03 -0.14 0.00 -1.23 0.00 0.00 66.70 63.01 1wfi h VAL 66 Cb 1.28 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 32.66 1wfi h VAL 66 CO 1.07 0.38 -0.45 -0.33 -1.23 0.00 0.00 177.57 177.00 1wfi h GLU 67 N 0.00 0.58 0.00 5.19 5.08 -1.93 -2.91 114.58 120.59 1wfi h GLU 67 Ca -0.06 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1wfi h GLU 67 Cb 1.42 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1wfi h GLU 67 CO 0.05 0.91 -0.81 0.39 -1.00 0.00 0.00 179.01 178.56 1wfi n GLU 68 N -4.01 0.30 -1.00 2.33 1.02 -1.24 -4.94 120.64 113.10 1wfi n GLU 68 Ca -0.02 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.82 1wfi n GLU 68 Cb 0.54 -1.65 0.09 0.00 -0.02 0.00 0.00 31.44 30.41 1wfi n GLU 68 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfi n SER 69 N -2.07 -1.94 -3.64 1.62 7.64 -0.77 -4.93 113.62 109.53 1wfi n SER 69 Ca 0.03 0.43 -0.03 0.00 1.01 0.00 0.00 58.87 60.30 1wfi n SER 69 Cb 0.44 -1.18 -0.07 0.00 -1.01 0.00 0.00 64.21 62.39 1wfi n SER 69 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfi s SER 70 N -1.73 -0.61 0.21 6.43 1.04 -0.72 -5.01 113.70 113.31 1wfi s SER 70 Ca 0.59 0.98 0.08 0.00 0.48 0.00 0.00 55.95 58.08 1wfi s SER 70 Cb -0.27 1.26 -0.05 0.00 0.10 0.00 0.00 66.02 67.06 1wfi s SER 70 CO 0.64 -0.15 -0.14 -1.66 0.98 0.00 0.00 173.24 172.91 1wfi s TRP 71 N 1.43 1.76 0.38 5.02 1.48 -1.26 -0.13 118.94 127.62 1wfi s TRP 71 Ca -0.09 -0.57 -0.12 0.00 -1.06 0.00 0.00 56.10 54.26 1wfi s TRP 71 Cb -0.04 -0.83 0.05 0.00 -1.16 0.00 0.00 33.47 31.49 1wfi s TRP 71 CO -0.16 0.37 0.71 1.47 -4.06 0.00 0.00 176.95 175.28 1wfi n LEU 72 N -0.41 0.00 -3.99 -4.66 -0.00 0.48 -4.96 117.00 103.46 1wfi n LEU 72 Ca -0.08 -2.57 -0.31 0.00 -0.00 0.00 0.00 56.01 53.05 1wfi n LEU 72 Cb 0.61 3.46 -0.15 0.00 -0.00 0.00 0.00 43.42 47.33 1wfi n LEU 72 CO 0.35 -0.79 -0.43 -0.63 -0.00 0.00 0.00 177.39 175.88 1wfi s ILE 73 N -2.28 1.81 0.11 1.47 1.01 -1.26 0.24 121.20 122.31 1wfi s ILE 73 Ca 0.18 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 59.10 1wfi s ILE 73 Cb -0.04 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.34 1wfi s ILE 73 CO 0.13 -0.10 1.25 -1.61 0.00 0.00 0.00 174.94 174.62 1wfi s GLU 74 N 1.26 4.42 -1.04 2.79 2.02 -0.35 -2.59 118.70 125.21 1wfi s GLU 74 Ca -0.06 1.89 0.00 0.00 0.02 0.00 0.00 54.97 56.82 1wfi s GLU 74 Cb -0.19 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1wfi s GLU 74 CO -0.06 -0.26 0.00 -0.25 0.02 0.00 0.00 175.26 174.71 1wfi n ASP 75 N 3.50 -2.92 -3.91 -0.19 9.92 -1.26 -1.39 116.55 120.30 1wfi n ASP 75 Ca 0.08 0.25 -0.34 0.00 -0.53 0.00 0.00 54.79 54.25 1wfi n ASP 75 Cb 0.45 -2.74 0.01 0.00 -0.64 0.00 0.00 41.12 38.20 1wfi n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfi n GLY 76 N -0.34 -0.69 1.91 0.44 0.00 -1.07 -4.78 105.19 100.66 1wfi n GLY 76 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wfi n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfi n LYS 77 N -4.51 0.00 -4.46 1.61 2.85 -0.49 -0.85 118.16 112.32 1wfi n LYS 77 Ca -0.17 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.75 1wfi n LYS 77 Cb 0.62 -0.01 -0.10 0.00 -0.65 0.00 0.00 35.03 34.88 1wfi n LYS 77 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1wfi s VAL 78 N -1.96 4.01 -0.35 0.58 -7.23 -1.16 -2.19 120.40 112.11 1wfi s VAL 78 Ca 0.00 -0.43 -0.21 0.00 -1.81 0.00 0.00 61.98 59.53 1wfi s VAL 78 Cb 0.00 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1wfi s VAL 78 CO 0.00 0.55 0.67 -0.69 -0.31 0.00 0.00 175.10 175.32 1wfi s VAL 79 N -0.90 4.86 -0.17 1.32 1.01 0.10 -1.21 120.40 125.43 1wfi s VAL 79 Ca 0.14 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1wfi s VAL 79 Cb -0.11 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1wfi s VAL 79 CO 0.04 -0.31 0.10 0.42 0.00 0.00 0.00 175.10 175.34 1wfi s THR 80 N 2.78 5.11 0.05 3.92 -4.23 0.67 -0.45 115.64 123.49 1wfi s THR 80 Ca 0.26 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.93 1wfi s THR 80 Cb -0.14 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1wfi s THR 80 CO 0.15 0.50 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.80 1wfi s VAL 81 N -0.05 1.91 -0.18 2.29 1.01 0.53 0.18 120.40 126.09 1wfi s VAL 81 Ca 0.08 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1wfi s VAL 81 Cb -0.12 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.66 1wfi s VAL 81 CO 0.00 0.28 -0.04 -2.28 0.00 0.00 0.00 175.10 173.07 1wfi s HIS 82 N -0.81 1.72 0.08 5.22 2.46 0.82 0.10 115.29 124.88 1wfi s HIS 82 Ca 0.10 -1.16 0.05 0.00 0.47 0.00 0.00 55.06 54.52 1wfi s HIS 82 Cb -0.09 -1.31 -0.04 0.00 -0.13 0.00 0.00 32.58 31.00 1wfi s HIS 82 CO 0.02 -0.64 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.13 1wfi s LEU 83 N 1.63 3.42 -0.18 8.88 2.01 0.13 -1.75 118.68 132.82 1wfi s LEU 83 Ca -0.01 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 53.95 1wfi s LEU 83 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 46.19 43.91 1wfi s LEU 83 CO -0.07 0.18 -0.18 -0.70 1.01 0.00 0.00 176.35 176.60 1wfi s GLU 84 N -2.23 3.08 0.86 1.70 -6.30 -1.26 0.20 118.70 114.75 1wfi s GLU 84 Ca 0.25 -0.80 -0.11 0.00 -2.50 0.00 0.00 54.97 51.81 1wfi s GLU 84 Cb -0.12 -2.62 0.12 0.00 0.00 0.00 0.00 34.13 31.51 1wfi s GLU 84 CO 0.17 -0.15 1.17 0.15 0.02 0.00 0.00 175.26 176.62 1wfi s LYS 85 N 1.19 1.33 -0.15 4.30 1.02 0.91 0.14 119.74 128.47 1wfi s LYS 85 Ca 0.02 1.62 -0.03 0.00 0.02 0.00 0.00 55.97 57.61 1wfi s LYS 85 Cb -0.14 -1.75 -0.24 0.00 -0.52 0.00 0.00 37.83 35.18 1wfi s LYS 85 CO -0.08 -2.42 0.24 -0.89 -0.92 0.00 0.00 175.35 171.28 1wfi n ILE 86 N -3.81 1.69 -0.09 2.17 2.08 -1.22 -4.45 119.36 115.74 1wfi n ILE 86 Ca 0.12 -0.65 -0.14 0.00 0.56 0.00 0.00 62.75 62.64 1wfi n ILE 86 Cb 0.51 -1.58 -0.14 0.00 -0.75 0.00 0.00 39.64 37.68 1wfi n ILE 86 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wfi n ASN 87 N -3.38 1.15 -4.31 4.38 4.13 -1.26 -4.98 115.26 110.99 1wfi n ASN 87 Ca -0.34 0.03 -0.33 0.00 1.68 0.00 0.00 54.58 55.62 1wfi n ASN 87 Cb 1.04 0.07 -0.08 0.00 -1.54 0.00 0.00 39.78 39.27 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wfi n LYS 88 N -3.08 -1.36 -0.03 3.52 2.85 -1.26 -4.80 118.16 114.00 1wfi n LYS 88 Ca -0.35 0.16 -0.06 0.00 -1.05 0.00 0.00 58.31 57.00 1wfi n LYS 88 Cb 1.07 -4.03 -0.02 0.00 -0.65 0.00 0.00 35.03 31.39 1wfi n LYS 88 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfi n MET 89 N -4.45 0.14 -1.00 -1.58 2.81 -1.26 -4.69 117.12 107.10 1wfi n MET 89 Ca -0.21 0.06 -0.02 0.00 -1.81 0.00 0.00 57.70 55.71 1wfi n MET 89 Cb 0.64 -0.81 0.01 0.00 -0.71 0.00 0.00 33.22 32.35 1wfi n MET 89 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1wfi n GLU 90 N -3.17 0.74 -4.75 0.03 0.28 -1.26 -5.05 120.64 107.46 1wfi n GLU 90 Ca -0.12 -0.30 -0.30 0.00 -0.16 0.00 0.00 57.16 56.27 1wfi n GLU 90 Cb 0.60 -0.05 -0.17 0.00 1.43 0.00 0.00 31.44 33.25 1wfi n GLU 90 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1wfi s TRP 91 N 0.25 2.30 0.35 -1.84 -0.11 -1.26 -4.67 118.94 113.95 1wfi s TRP 91 Ca 0.07 -1.05 -0.29 0.00 1.22 0.00 0.00 56.10 56.05 1wfi s TRP 91 Cb -0.00 -1.59 -0.11 0.00 -1.50 0.00 0.00 33.47 30.27 1wfi s TRP 91 CO 0.04 -0.48 1.44 -1.58 -4.62 0.00 0.00 176.95 171.75 1wfi s TRP 92 N 0.72 2.76 -0.78 5.86 0.52 -1.26 -4.88 118.94 121.88 1wfi s TRP 92 Ca -0.11 1.19 0.26 0.00 0.02 0.00 0.00 56.10 57.46 1wfi s TRP 92 Cb -0.16 -3.92 0.69 0.00 -1.15 0.00 0.00 33.47 28.93 1wfi s TRP 92 CO 0.02 -2.71 1.61 0.09 0.02 0.00 0.00 176.95 175.98 1wfi n ASN 93 N 0.85 0.61 -0.28 2.95 4.13 -1.26 -4.95 115.26 117.30 1wfi n ASN 93 Ca 0.02 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1wfi n ASN 93 Cb 0.40 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 1wfi n ASN 93 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1wfi n ARG 94 N -2.00 0.00 -0.12 3.52 0.00 -1.26 -5.08 116.66 111.72 1wfi n ARG 94 Ca 0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.65 1wfi n ARG 94 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.77 1wfi n ARG 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1wfi n LEU 95 N 0.00 1.92 -4.05 2.89 -0.00 -1.26 -4.78 117.00 111.72 1wfi n LEU 95 Ca 0.00 0.37 -0.20 0.00 -0.00 0.00 0.00 56.01 56.18 1wfi n LEU 95 Cb 0.00 -0.86 -0.15 0.00 -0.00 0.00 0.00 43.42 42.41 1wfi n LEU 95 CO 0.00 0.40 -0.45 0.68 -0.00 0.00 0.00 177.39 178.02 1wfi s VAL 96 N -2.48 0.89 0.54 1.96 -7.23 -1.26 -3.14 120.40 109.67 1wfi s VAL 96 Ca -0.34 -0.46 0.31 0.00 -1.81 0.00 0.00 61.98 59.67 1wfi s VAL 96 Cb 0.11 -0.75 0.47 0.00 0.56 0.00 0.00 36.38 36.77 1wfi s VAL 96 CO 0.51 0.26 1.90 0.71 -0.31 0.00 0.00 175.10 178.17 1wfi h THR 97 N 4.98 0.57 -3.60 5.32 1.35 -0.81 -3.39 112.91 117.33 1wfi h THR 97 Ca -0.32 -0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.28 1wfi h THR 97 Cb 1.17 0.57 -0.30 0.00 -1.73 0.00 0.00 68.15 67.86 1wfi h THR 97 CO 0.49 0.00 -0.70 -0.55 -0.25 0.00 0.00 175.52 174.51 1wfi s SER 98 N -5.70 0.01 0.81 5.36 0.15 -1.26 -5.04 113.70 108.03 1wfi s SER 98 Ca -0.05 0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.55 1wfi s SER 98 Cb 0.21 0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.61 1wfi s SER 98 CO 0.77 -0.06 1.09 1.51 1.20 0.00 0.00 173.24 177.75 1wfi s ASP 99 N 0.46 4.21 0.00 5.45 -4.77 -1.26 -4.37 116.67 116.39 1wfi s ASP 99 Ca -0.04 1.73 0.00 0.00 -3.30 0.00 0.00 52.55 50.95 1wfi s ASP 99 Cb -0.05 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 1wfi s ASP 99 CO -0.01 -2.21 0.01 -0.81 0.70 0.00 0.00 175.17 172.85 1wfi n PRO 100 N -3.63 0.00 0.00 2.11 -0.04 -1.16 -4.91 135.00 127.38 1wfi n PRO 100 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1wfi n PRO 100 Cb 0.54 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1wfi n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfi n GLU 101 N -0.05 0.00 -1.32 0.54 1.02 -1.26 -5.08 120.64 114.49 1wfi n GLU 101 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1wfi n GLU 101 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.54 1wfi n GLU 101 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wfi s ILE 102 N 0.00 2.84 -0.12 -3.67 1.09 -1.26 -5.01 121.20 115.07 1wfi s ILE 102 Ca 0.00 0.27 -0.05 0.00 -1.10 0.00 0.00 60.65 59.77 1wfi s ILE 102 Cb 0.00 -2.84 -0.06 0.00 -1.06 0.00 0.00 42.46 38.50 1wfi s ILE 102 CO 0.00 -0.36 -0.15 -0.46 -0.10 0.00 0.00 174.94 173.87 1wfi n ASN 103 N -3.71 1.26 -3.91 3.58 6.94 -1.26 -4.87 115.26 113.29 1wfi n ASN 103 Ca 0.07 0.12 -0.23 0.00 -0.02 0.00 0.00 54.58 54.52 1wfi n ASN 103 Cb 0.55 -0.34 -0.17 0.00 -2.36 0.00 0.00 39.78 37.47 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1wfi s THR 104 N -2.23 0.73 0.36 5.53 -4.23 -1.26 -3.75 115.64 110.79 1wfi s THR 104 Ca -0.17 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1wfi s THR 104 Cb 0.06 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.13 1wfi s THR 104 CO 0.23 0.28 0.56 -1.59 -0.54 0.00 0.00 174.62 173.56 1wfi s LYS 105 N 1.13 3.40 -1.23 3.99 -2.85 -1.26 -4.99 119.74 117.92 1wfi s LYS 105 Ca -0.07 -0.40 -0.19 0.00 -1.00 0.00 0.00 55.97 54.31 1wfi s LYS 105 Cb -0.14 -2.66 0.07 0.00 -2.06 0.00 0.00 37.83 33.04 1wfi s LYS 105 CO -0.01 0.09 1.67 0.21 0.10 0.00 0.00 175.35 177.41 1wfi s LYS 106 N -4.34 3.90 0.00 1.78 2.20 -1.26 -4.88 119.74 117.13 1wfi s LYS 106 Ca 0.41 -1.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.22 1wfi s LYS 106 Cb -0.10 -5.49 0.00 0.00 -1.51 0.00 0.00 37.83 30.73 1wfi s LYS 106 CO 0.36 -2.24 0.16 0.44 -0.36 0.00 0.00 175.35 173.70 1wfi n ILE 107 N 6.49 0.00 -3.72 5.43 -5.35 -1.26 -4.93 119.36 116.02 1wfi n ILE 107 Ca 0.45 0.59 -0.00 0.00 -0.27 0.00 0.00 62.75 63.52 1wfi n ILE 107 Cb 0.47 -1.03 -0.00 0.00 -1.74 0.00 0.00 39.64 37.34 1wfi n ILE 107 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1wfi s ASN 108 N -2.63 -0.07 -0.05 7.28 -0.87 -1.26 -5.06 114.94 112.27 1wfi s ASN 108 Ca 0.00 -0.27 -0.25 0.00 -1.57 0.00 0.00 52.86 50.77 1wfi s ASN 108 Cb 0.00 0.28 -0.23 0.00 -0.02 0.00 0.00 41.25 41.28 1wfi s ASN 108 CO 0.00 -0.52 1.05 1.55 -2.57 0.00 0.00 177.10 176.61 1wfi h PRO 109 N 2.00 0.14 -4.60 -0.60 0.13 -1.92 -3.44 132.00 123.70 1wfi h PRO 109 Ca -0.28 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1wfi h PRO 109 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wfi h PRO 109 CO 0.29 0.85 -0.90 -1.91 -0.23 0.00 0.00 178.00 176.10 1wfi n GLU 110 N -4.58 -4.87 0.00 0.86 0.00 -1.26 -4.78 120.64 106.02 1wfi n GLU 110 Ca -0.09 3.50 0.00 0.00 0.00 0.00 0.00 57.16 60.57 1wfi n GLU 110 Cb 0.45 -4.30 0.00 0.00 0.00 0.00 0.00 31.44 27.60 1wfi n GLU 110 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1wfi n ASN 111 N 1.89 0.00 0.00 4.31 5.15 -1.26 -5.06 115.26 120.29 1wfi n ASN 111 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1wfi n ASN 111 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1wfi n ASN 111 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wfi n SER 112 N 0.00 0.00 -1.16 1.20 7.64 -1.26 -5.16 113.62 114.88 1wfi n SER 112 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1wfi n SER 112 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1wfi n SER 112 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wfi n LYS 113 N -0.39 -2.29 -3.93 1.43 5.02 -1.26 -4.73 118.16 112.01 1wfi n LYS 113 Ca 0.00 1.61 -0.31 0.00 -2.02 0.00 0.00 58.31 57.59 1wfi n LYS 113 Cb 0.00 -2.82 -0.15 0.00 -0.02 0.00 0.00 35.03 32.04 1wfi n LYS 113 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wfi s LEU 114 N -5.90 3.45 -0.92 -0.35 1.43 -1.26 -5.05 118.68 110.08 1wfi s LEU 114 Ca 0.00 -1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 51.14 1wfi s LEU 114 Cb 0.00 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 1wfi s LEU 114 CO 0.00 -0.34 2.06 -0.94 0.23 0.00 0.00 176.35 177.36 1wfi s SER 115 N 1.23 4.75 -0.61 2.29 1.04 -1.26 -4.83 113.70 116.30 1wfi s SER 115 Ca 0.05 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1wfi s SER 115 Cb -0.19 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.52 1wfi s SER 115 CO -0.12 -3.16 0.38 -0.62 0.98 0.00 0.00 173.24 170.71 1wfi s ASP 116 N 8.50 4.65 0.70 7.02 -1.08 -1.26 -5.09 116.67 130.11 1wfi s ASP 116 Ca 0.76 -3.36 -0.16 0.00 -0.52 0.00 0.00 52.55 49.27 1wfi s ASP 116 Cb -0.07 -1.67 0.02 0.00 -1.46 0.00 0.00 42.92 39.74 1wfi s ASP 116 CO 0.04 -0.18 1.24 -1.48 0.52 0.00 0.00 175.17 175.31 1wfi s LEU 117 N -0.77 3.41 0.19 -1.34 2.34 -1.26 -5.03 118.68 116.23 1wfi s LEU 117 Ca 0.20 2.47 -0.20 0.00 0.06 0.00 0.00 54.13 56.66 1wfi s LEU 117 Cb -0.17 -4.60 0.04 0.00 -0.56 0.00 0.00 46.19 40.90 1wfi s LEU 117 CO -0.07 -2.18 0.57 -0.62 -1.06 0.00 0.00 176.35 172.99 1wfi s ASP 118 N -1.77 -0.36 0.00 1.48 2.15 -1.26 -5.16 116.67 111.75 1wfi s ASP 118 Ca 0.78 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1wfi s ASP 118 Cb -0.32 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 1wfi s ASP 118 CO 0.43 -1.05 0.00 -0.24 -0.17 0.00 0.00 175.17 174.14 1wfi n SER 119 N -0.36 0.00 -3.49 -0.34 2.88 -1.26 -5.16 113.62 105.88 1wfi n SER 119 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wfi n SER 119 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 1wfi n SER 119 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1wfi s GLU 120 N 0.00 0.38 -0.12 -1.46 2.02 -1.26 -5.17 118.70 113.10 1wfi s GLU 120 Ca 0.00 0.92 -0.30 0.00 0.02 0.00 0.00 54.97 55.61 1wfi s GLU 120 Cb 0.00 0.50 0.09 0.00 0.10 0.00 0.00 34.13 34.82 1wfi s GLU 120 CO 0.00 -0.12 0.78 -0.08 0.02 0.00 0.00 175.26 175.85 1wfi s THR 121 N 2.43 0.00 -0.23 3.63 -1.32 -1.26 -5.18 115.64 113.71 1wfi s THR 121 Ca -0.04 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.16 1wfi s THR 121 Cb -0.07 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.06 1wfi s THR 121 CO -0.18 0.00 1.12 -0.13 -2.21 0.00 0.00 174.62 173.23 1wfi s ARG 122 N -0.89 0.41 -0.08 7.08 0.52 -1.26 -5.18 118.95 119.56 1wfi s ARG 122 Ca -0.07 0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 55.10 1wfi s ARG 122 Cb -0.01 0.20 0.07 0.00 0.52 0.00 0.00 34.95 35.73 1wfi s ARG 122 CO 0.06 -0.10 0.67 -1.12 0.02 0.00 0.00 175.30 174.83 1wfi s SER 123 N -0.55 -0.66 -0.29 0.23 0.01 -1.26 -5.17 113.70 106.01 1wfi s SER 123 Ca 0.03 0.80 -0.25 0.00 1.31 0.00 0.00 55.95 57.84 1wfi s SER 123 Cb -0.02 0.67 0.17 0.00 0.21 0.00 0.00 66.02 67.04 1wfi s SER 123 CO -0.04 -0.55 1.31 -0.32 0.41 0.00 0.00 173.24 174.05 1wfi s MET 124 N -0.96 0.20 -0.30 12.44 0.00 -1.26 -5.16 119.30 124.27 1wfi s MET 124 Ca -0.09 0.24 -0.12 0.00 0.00 0.00 0.00 55.69 55.72 1wfi s MET 124 Cb -0.01 0.10 0.15 0.00 0.00 0.00 0.00 34.83 35.07 1wfi s MET 124 CO 0.08 -0.03 0.81 0.54 0.00 0.00 0.00 175.02 176.43 1wfi s VAL 125 N 0.08 -0.76 -0.29 10.11 0.11 -1.26 -5.16 120.40 123.23 1wfi s VAL 125 Ca 0.06 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.91 1wfi s VAL 125 Cb -0.05 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.98 1wfi s VAL 125 CO -0.13 0.00 1.23 -0.44 -3.33 0.00 0.00 175.10 172.43 1wfi s SER 126 N 2.70 -0.21 0.00 3.54 0.01 -1.26 -5.14 113.70 113.34 1wfi s SER 126 Ca -0.03 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1wfi s SER 126 Cb -0.09 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1wfi s SER 126 CO -0.18 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1wfi n GLY 127 N 2.55 -0.05 2.48 3.44 0.00 -1.26 -5.18 105.19 107.18 1wfi n GLY 127 Ca -0.14 0.63 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 1wfi n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfi n PRO 128 N 0.00 -1.66 -3.78 1.61 -0.04 -1.26 -5.10 135.00 124.77 1wfi n PRO 128 Ca 0.00 -1.28 -0.05 0.00 -0.04 0.00 0.00 63.50 62.13 1wfi n PRO 128 Cb 0.00 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1wfi n PRO 128 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfi s SER 129 N -3.89 -0.20 0.23 3.54 0.15 -1.26 -5.19 113.70 107.08 1wfi s SER 129 Ca 0.49 -0.46 -0.17 0.00 0.70 0.00 0.00 55.95 56.51 1wfi s SER 129 Cb -0.03 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1wfi s SER 129 CO 0.36 -1.03 0.56 -0.55 1.20 0.00 0.00 173.24 173.78 1wfi s SER 130 N -2.93 -0.21 0.00 5.45 0.15 -1.26 -5.37 113.70 109.52 1wfi s SER 130 Ca 0.12 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1wfi s SER 130 Cb -0.03 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1wfi s SER 130 CO 0.04 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.92