#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfi s SER 2 N 0.00 5.61 -0.10 1.61 0.01 -1.26 -5.03 113.70 114.54 1wfi s SER 2 Ca 0.00 2.34 -0.01 0.00 1.31 0.00 0.00 55.95 59.59 1wfi s SER 2 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 1wfi s SER 2 CO 0.00 -1.30 -0.05 -0.94 0.41 0.00 0.00 173.24 171.36 1wfi s SER 3 N -1.53 1.98 0.00 2.44 1.04 -1.26 -5.10 113.70 111.27 1wfi s SER 3 Ca 0.72 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1wfi s SER 3 Cb -0.29 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1wfi s SER 3 CO 0.33 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1wfi n GLY 4 N 5.01 4.40 0.79 7.32 0.00 -1.26 -5.18 105.19 116.27 1wfi n GLY 4 Ca -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1wfi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfi n SER 5 N 0.00 0.40 -4.16 1.61 7.64 -1.26 -5.06 113.62 112.78 1wfi n SER 5 Ca 0.00 -1.29 -0.11 0.00 1.01 0.00 0.00 58.87 58.47 1wfi n SER 5 Cb 0.00 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 1wfi n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfi s SER 6 N -1.75 0.15 -0.21 6.43 1.04 -1.26 -4.42 113.70 113.69 1wfi s SER 6 Ca 0.13 -1.28 -0.29 0.00 0.48 0.00 0.00 55.95 54.98 1wfi s SER 6 Cb -0.01 0.38 0.14 0.00 0.10 0.00 0.00 66.02 66.64 1wfi s SER 6 CO 0.08 -0.85 1.10 -0.83 0.98 0.00 0.00 173.24 173.72 1wfi s GLY 7 N -3.11 -0.14 0.00 7.32 0.00 -1.26 -4.28 107.32 105.84 1wfi s GLY 7 Ca 0.33 2.37 0.00 0.00 0.00 0.00 0.00 44.72 47.42 1wfi s GLY 7 CO 0.09 1.22 0.00 -1.55 0.00 0.00 0.00 173.10 172.86 1wfi n PRO 8 N 0.95 0.54 0.00 2.90 -0.04 -1.26 -4.16 135.00 133.93 1wfi n PRO 8 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1wfi n PRO 8 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1wfi n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wfi n ASN 9 N -0.93 0.00 -4.84 3.54 2.85 -1.26 -4.32 115.26 110.29 1wfi n ASN 9 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1wfi n ASN 9 Cb 0.00 0.22 0.02 0.00 1.24 0.00 0.00 39.78 41.25 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1wfi s TYR 10 N -1.66 3.36 -0.13 1.20 -0.85 -1.26 -4.99 117.35 113.02 1wfi s TYR 10 Ca 0.00 1.38 -0.07 0.00 -0.52 0.00 0.00 57.07 57.86 1wfi s TYR 10 Cb 0.00 -2.81 -0.04 0.00 0.38 0.00 0.00 41.96 39.49 1wfi s TYR 10 CO 0.00 -0.88 0.13 1.03 -1.52 0.00 0.00 175.55 174.31 1wfi s ARG 11 N -4.88 3.54 -0.15 -3.49 0.52 -0.53 -4.99 118.95 108.97 1wfi s ARG 11 Ca 0.57 -0.17 -0.08 0.00 -0.52 0.00 0.00 55.73 55.54 1wfi s ARG 11 Cb -0.12 -3.20 0.06 0.00 0.52 0.00 0.00 34.95 32.20 1wfi s ARG 11 CO 0.50 0.69 0.36 1.67 0.02 0.00 0.00 175.30 178.54 1wfi s TRP 12 N -0.78 -0.54 0.00 -0.53 1.48 -1.26 0.25 118.94 117.55 1wfi s TRP 12 Ca 0.14 1.17 0.00 0.00 -1.06 0.00 0.00 56.10 56.35 1wfi s TRP 12 Cb -0.12 0.20 0.00 0.00 -1.16 0.00 0.00 33.47 32.39 1wfi s TRP 12 CO 0.03 -0.33 0.00 0.25 -4.06 0.00 0.00 176.95 172.84 1wfi n THR 13 N 4.40 0.00 0.00 0.66 -2.24 0.19 -4.94 114.28 112.35 1wfi n THR 13 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1wfi n THR 13 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi n GLN 14 N 0.00 -0.56 -2.79 -0.78 10.64 -1.26 -1.46 117.38 121.18 1wfi n GLN 14 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1wfi n GLN 14 Cb 0.00 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.44 1wfi n GLN 14 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1wfi n THR 15 N -0.00 1.01 -1.38 -0.39 5.66 -0.62 -4.93 114.28 113.63 1wfi n THR 15 Ca 0.00 -2.60 -0.14 0.00 -3.05 0.00 0.00 64.05 58.26 1wfi n THR 15 Cb 0.00 1.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.91 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 -0.70 -0.72 0.00 1.09 4.77 -1.26 -4.45 117.00 115.74 1wfi n LEU 16 Ca 0.03 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1wfi n LEU 16 Cb 0.82 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1wfi n LEU 16 CO 0.05 -0.99 0.00 0.00 -1.33 0.00 0.00 177.39 175.12 1wfi n ALA 17 N 1.13 1.41 -2.69 -1.18 0.00 -1.26 -2.36 120.51 115.56 1wfi n ALA 17 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 1wfi n ALA 17 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.02 3.54 -0.16 0.00 2.02 -1.26 -1.47 118.70 120.35 1wfi s GLU 18 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.73 1wfi s GLU 18 Cb 0.00 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.49 1wfi s GLU 18 CO 0.00 0.31 -0.19 -0.51 0.02 0.00 0.00 175.26 174.90 1wfi s LEU 19 N -3.57 1.99 -0.03 1.80 1.43 0.32 -1.60 118.68 119.03 1wfi s LEU 19 Ca 0.40 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1wfi s LEU 19 Cb -0.11 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1wfi s LEU 19 CO 0.30 0.00 0.19 -0.62 0.23 0.00 0.00 176.35 176.45 1wfi s ASP 20 N 1.23 6.39 -0.10 2.29 2.15 -0.53 -0.82 116.67 127.29 1wfi s ASP 20 Ca 0.02 0.40 -0.07 0.00 0.43 0.00 0.00 52.55 53.33 1wfi s ASP 20 Cb -0.14 -2.03 0.03 0.00 -0.30 0.00 0.00 42.92 40.49 1wfi s ASP 20 CO -0.10 0.29 0.25 -0.22 -0.17 0.00 0.00 175.17 175.22 1wfi s LEU 21 N -1.74 0.83 -0.12 -1.34 2.96 -0.84 0.56 118.68 118.98 1wfi s LEU 21 Ca 0.25 0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 54.63 1wfi s LEU 21 Cb -0.13 0.82 0.06 0.00 0.50 0.00 0.00 46.19 47.44 1wfi s LEU 21 CO 0.16 -0.11 0.19 0.00 -1.32 0.00 0.00 176.35 175.26 1wfi s ALA 22 N 0.53 -0.24 -0.31 5.97 0.00 0.14 0.07 121.76 127.92 1wfi s ALA 22 Ca -0.03 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1wfi s ALA 22 Cb -0.05 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.20 1wfi s ALA 22 CO -0.03 -0.72 -0.01 0.08 0.00 0.00 0.00 175.76 175.09 1wfi s VAL 23 N 2.32 2.37 0.57 0.00 1.01 0.50 -1.45 120.40 125.72 1wfi s VAL 23 Ca 0.03 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 59.91 1wfi s VAL 23 Cb -0.13 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1wfi s VAL 23 CO -0.08 -0.32 1.05 -2.16 0.00 0.00 0.00 175.10 173.59 1wfi s PRO 24 N 1.04 3.45 0.13 2.72 0.04 -1.26 -0.28 135.00 140.83 1wfi s PRO 24 Ca 0.01 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.26 1wfi s PRO 24 Cb -0.20 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1wfi s PRO 24 CO -0.06 -0.71 -0.03 -0.06 0.04 0.00 0.00 177.00 176.19 1wfi s PHE 25 N -2.42 1.02 -0.51 0.56 0.08 -1.24 -4.88 117.98 110.59 1wfi s PHE 25 Ca 0.63 -0.98 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 1wfi s PHE 25 Cb -0.15 -0.59 0.13 0.00 -0.57 0.00 0.00 43.02 41.84 1wfi s PHE 25 CO 0.34 -0.20 0.37 1.03 -0.10 0.00 0.00 175.22 176.66 1wfi s ARG 26 N -3.88 2.49 0.15 0.44 1.81 -1.26 -4.80 118.95 113.89 1wfi s ARG 26 Ca 0.18 -1.92 -0.03 0.00 -1.72 0.00 0.00 55.73 52.24 1wfi s ARG 26 Cb 0.06 -3.89 -0.03 0.00 -0.45 0.00 0.00 34.95 30.64 1wfi s ARG 26 CO -0.01 -1.18 0.11 0.14 -0.68 0.00 0.00 175.30 173.68 1wfi s VAL 27 N 1.07 0.08 -0.74 3.52 -7.23 -1.26 -5.04 120.40 110.80 1wfi s VAL 27 Ca 0.08 -1.82 0.13 0.00 -1.81 0.00 0.00 61.98 58.56 1wfi s VAL 27 Cb -0.24 -2.06 0.38 0.00 0.56 0.00 0.00 36.38 35.02 1wfi s VAL 27 CO -0.02 -0.38 1.31 -1.20 -0.31 0.00 0.00 175.10 174.50 1wfi n SER 28 N -0.14 3.24 -3.83 4.85 7.64 -1.26 -5.00 113.62 119.12 1wfi n SER 28 Ca -0.05 -2.28 -0.18 0.00 1.01 0.00 0.00 58.87 57.37 1wfi n SER 28 Cb 0.64 -0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 1wfi n SER 28 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1wfi s PHE 29 N -1.50 1.59 -0.09 1.43 -0.71 -1.26 -5.13 117.98 112.30 1wfi s PHE 29 Ca 0.29 -1.46 -0.24 0.00 -1.04 0.00 0.00 56.93 54.49 1wfi s PHE 29 Cb 0.19 -0.79 -0.03 0.00 -1.21 0.00 0.00 43.02 41.17 1wfi s PHE 29 CO 0.14 -0.63 0.72 1.03 -1.34 0.00 0.00 175.22 175.14 1wfi s ARG 30 N -3.75 4.39 0.09 1.99 3.00 -1.26 -4.69 118.95 118.74 1wfi s ARG 30 Ca 0.37 0.89 -0.31 0.00 0.00 0.00 0.00 55.73 56.68 1wfi s ARG 30 Cb 0.04 -3.48 -0.08 0.00 0.00 0.00 0.00 34.95 31.43 1wfi s ARG 30 CO 0.20 -0.04 1.45 -0.51 0.00 0.00 0.00 175.30 176.40 1wfi s LEU 31 N 1.14 4.36 0.07 2.53 2.01 -1.20 -4.98 118.68 122.63 1wfi s LEU 31 Ca 0.37 2.35 0.01 0.00 0.01 0.00 0.00 54.13 56.87 1wfi s LEU 31 Cb -0.17 -3.58 -0.04 0.00 0.01 0.00 0.00 46.19 42.41 1wfi s LEU 31 CO 0.17 -0.72 0.20 -0.54 1.01 0.00 0.00 176.35 176.47 1wfi s LYS 32 N 1.56 3.38 0.47 1.70 1.02 -1.26 -4.82 119.74 121.78 1wfi s LYS 32 Ca 0.66 -0.49 0.31 0.00 0.02 0.00 0.00 55.97 56.48 1wfi s LYS 32 Cb -0.37 -3.00 1.40 0.00 -0.52 0.00 0.00 37.83 35.34 1wfi s LYS 32 CO 0.30 0.59 1.94 0.78 -0.92 0.00 0.00 175.35 178.04 1wfi h GLY 33 N 2.99 0.00 -0.64 -3.33 0.00 -1.94 0.01 103.07 100.16 1wfi h GLY 33 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wfi h GLY 33 CO 0.74 0.00 -0.09 0.58 0.00 0.00 0.00 176.54 177.77 1wfi n LYS 34 N -2.78 1.59 0.00 4.80 2.85 -1.26 -3.62 118.16 119.74 1wfi n LYS 34 Ca 0.00 -1.06 0.01 0.00 -1.05 0.00 0.00 58.31 56.22 1wfi n LYS 34 Cb 0.23 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1wfi n LYS 34 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wfi n ASP 35 N 0.22 0.67 -4.97 -5.58 9.92 -0.16 -4.93 116.55 111.72 1wfi n ASP 35 Ca 0.16 -0.83 -0.18 0.00 -0.53 0.00 0.00 54.79 53.40 1wfi n ASP 35 Cb 0.41 0.49 -0.00 0.00 -0.64 0.00 0.00 41.12 41.38 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wfi s VAL 36 N -0.70 3.17 -0.13 2.53 1.01 -0.33 0.12 120.40 126.07 1wfi s VAL 36 Ca 0.02 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 1wfi s VAL 36 Cb 0.02 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.38 1wfi s VAL 36 CO 0.06 -0.04 0.24 -0.69 0.00 0.00 0.00 175.10 174.67 1wfi s VAL 37 N -2.34 -0.38 -0.22 2.92 1.01 0.24 -4.28 120.40 117.36 1wfi s VAL 37 Ca 0.51 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 1wfi s VAL 37 Cb -0.08 -0.45 0.08 0.00 0.00 0.00 0.00 36.38 35.92 1wfi s VAL 37 CO 0.31 0.08 0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1wfi s VAL 38 N 2.39 -0.04 -0.64 2.92 1.01 -1.25 -1.10 120.40 123.69 1wfi s VAL 38 Ca 0.03 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1wfi s VAL 38 Cb -0.13 -0.77 0.16 0.00 0.00 0.00 0.00 36.38 35.64 1wfi s VAL 38 CO -0.09 -0.46 0.61 -0.62 0.00 0.00 0.00 175.10 174.54 1wfi s ASP 39 N 2.10 6.38 -0.69 3.32 -1.08 0.26 -4.97 116.67 121.99 1wfi s ASP 39 Ca 0.05 -2.06 -0.19 0.00 -0.52 0.00 0.00 52.55 49.83 1wfi s ASP 39 Cb -0.16 -2.22 0.12 0.00 -1.46 0.00 0.00 42.92 39.20 1wfi s ASP 39 CO -0.20 -0.79 0.83 -0.63 0.52 0.00 0.00 175.17 174.90 1wfi s ILE 40 N 1.22 4.83 0.54 4.11 1.01 -1.26 -2.24 121.20 129.42 1wfi s ILE 40 Ca 0.09 -1.20 0.09 0.00 0.00 0.00 0.00 60.65 59.62 1wfi s ILE 40 Cb -0.23 -4.57 0.07 0.00 0.01 0.00 0.00 42.46 37.74 1wfi s ILE 40 CO -0.01 -1.23 0.69 -1.10 0.00 0.00 0.00 174.94 173.29 1wfi s GLN 41 N 2.56 2.38 0.08 2.79 -1.52 -0.06 -4.80 119.66 121.08 1wfi s GLN 41 Ca 0.18 -1.64 -0.28 0.00 -1.95 0.00 0.00 55.36 51.67 1wfi s GLN 41 Cb -0.18 -2.57 -0.17 0.00 -0.22 0.00 0.00 33.01 29.87 1wfi s GLN 41 CO 0.02 -0.72 1.67 -0.09 -0.25 0.00 0.00 175.29 175.91 1wfi h ARG 42 N 0.36 -0.42 -1.16 2.91 9.65 -1.96 -3.34 114.38 120.43 1wfi h ARG 42 Ca -0.33 0.03 -0.43 0.00 -1.10 0.00 0.00 59.98 58.15 1wfi h ARG 42 Cb 1.29 0.09 -0.41 0.00 -1.39 0.00 0.00 29.97 29.56 1wfi h ARG 42 CO 0.44 -0.27 -1.05 -2.13 2.80 0.00 0.00 179.97 179.77 1wfi n ARG 43 N -5.27 1.86 -3.63 0.20 0.63 -1.26 0.12 116.66 109.31 1wfi n ARG 43 Ca -0.10 -3.65 -0.04 0.00 -0.92 0.00 0.00 57.85 53.15 1wfi n ARG 43 Cb 0.20 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.48 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 -3.25 -0.76 0.10 -0.14 2.46 -1.25 -3.27 115.29 109.18 1wfi s HIS 44 Ca 0.34 1.50 0.10 0.00 0.47 0.00 0.00 55.06 57.48 1wfi s HIS 44 Cb 0.44 0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 33.31 1wfi s HIS 44 CO -0.03 -0.38 -0.27 -1.17 -2.47 0.00 0.00 174.74 170.42 1wfi s LEU 45 N 1.52 2.28 -0.28 8.88 2.96 -1.01 -0.88 118.68 132.15 1wfi s LEU 45 Ca -0.09 -0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1wfi s LEU 45 Cb -0.04 -1.25 0.16 0.00 0.50 0.00 0.00 46.19 45.56 1wfi s LEU 45 CO -0.17 0.20 0.54 -0.60 -1.32 0.00 0.00 176.35 175.00 1wfi s ARG 46 N -1.82 0.50 0.26 1.98 3.52 -0.95 -2.56 118.95 119.88 1wfi s ARG 46 Ca 0.13 0.96 0.10 0.00 -0.13 0.00 0.00 55.73 56.79 1wfi s ARG 46 Cb -0.10 0.33 -0.05 0.00 -1.56 0.00 0.00 34.95 33.57 1wfi s ARG 46 CO 0.05 -0.54 -0.16 0.08 -0.81 0.00 0.00 175.30 173.92 1wfi s VAL 47 N 2.77 2.14 0.00 7.11 1.01 -0.43 0.91 120.40 133.92 1wfi s VAL 47 Ca 0.13 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1wfi s VAL 47 Cb -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1wfi s VAL 47 CO -0.19 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1wfi n GLY 48 N -0.56 3.59 3.73 4.51 0.00 -0.26 -2.26 105.19 113.95 1wfi n GLY 48 Ca -0.06 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 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 4.39 0.01 0.99 2.01 -1.26 0.83 118.68 125.64 1wfi s LEU 49 Ca 0.00 1.40 -0.39 0.00 0.01 0.00 0.00 54.13 55.15 1wfi s LEU 49 Cb 0.00 -3.25 -0.20 0.00 0.01 0.00 0.00 46.19 42.75 1wfi s LEU 49 CO 0.00 -0.09 1.05 1.17 1.01 0.00 0.00 176.35 179.49 1wfi n LYS 50 N 3.38 0.01 0.00 1.70 4.81 0.32 0.13 118.16 128.52 1wfi n LYS 50 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wfi n LYS 50 Cb 0.51 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.07 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 1.53 1.60 3.77 3.14 0.00 -1.26 -4.94 105.19 109.03 1wfi n GLY 51 Ca 0.20 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 1.46 0.14 1.61 -1.52 0.35 -5.00 119.66 116.70 1wfi s GLN 52 Ca 0.00 0.54 -0.30 0.00 -1.95 0.00 0.00 55.36 53.65 1wfi s GLN 52 Cb 0.00 -1.85 -0.07 0.00 -0.22 0.00 0.00 33.01 30.87 1wfi s GLN 52 CO 0.00 -2.03 1.13 -1.25 -0.25 0.00 0.00 175.29 172.89 1wfi s PRO 53 N -5.14 4.54 -0.44 2.91 0.04 -1.26 -4.50 135.00 131.14 1wfi s PRO 53 Ca 0.63 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1wfi s PRO 53 Cb -0.16 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1wfi s PRO 53 CO 0.55 -0.04 1.43 -1.25 0.04 0.00 0.00 177.00 177.73 1wfi s PRO 54 N 0.08 3.50 0.47 0.56 0.04 -1.25 -4.51 135.00 133.89 1wfi s PRO 54 Ca 0.52 0.85 0.18 0.00 0.04 0.00 0.00 61.00 62.59 1wfi s PRO 54 Cb -0.29 -4.05 1.17 0.00 0.04 0.00 0.00 34.50 31.36 1wfi s PRO 54 CO 0.33 -1.67 1.98 0.28 0.04 0.00 0.00 177.00 177.97 1wfi h VAL 55 N 6.47 0.83 -3.71 -0.36 2.07 -1.83 -3.39 116.25 116.33 1wfi h VAL 55 Ca -0.27 -0.09 -0.68 0.00 0.82 0.00 0.00 66.70 66.48 1wfi h VAL 55 Cb 1.10 0.55 -0.26 0.00 -1.52 0.00 0.00 31.29 31.16 1wfi h VAL 55 CO 1.10 0.05 -0.79 -0.69 0.02 0.00 0.00 177.57 177.26 1wfi s VAL 56 N -5.25 2.88 -0.32 2.57 1.01 -1.20 -4.65 120.40 115.44 1wfi s VAL 56 Ca -0.07 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1wfi s VAL 56 Cb 0.20 -2.15 0.21 0.00 0.00 0.00 0.00 36.38 34.64 1wfi s VAL 56 CO 0.74 0.56 1.15 -0.62 0.00 0.00 0.00 175.10 176.93 1wfi s ASP 57 N -0.17 -0.12 0.22 3.32 2.15 -1.23 -1.31 116.67 119.54 1wfi s ASP 57 Ca -0.01 -0.13 -0.19 0.00 0.43 0.00 0.00 52.55 52.66 1wfi s ASP 57 Cb -0.13 0.15 0.03 0.00 -0.30 0.00 0.00 42.92 42.67 1wfi s ASP 57 CO 0.03 -0.01 0.58 -0.83 -0.17 0.00 0.00 175.17 174.78 1wfi s GLY 58 N 1.14 -0.09 -0.36 2.66 0.00 -1.06 -3.81 107.32 105.81 1wfi s GLY 58 Ca 0.21 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.41 1wfi s GLY 58 CO -0.12 -0.20 1.31 1.85 0.00 0.00 0.00 173.10 175.94 1wfi s GLU 59 N -3.89 3.79 1.02 2.90 2.12 -1.26 -2.40 118.70 120.99 1wfi s GLU 59 Ca 0.10 1.06 -0.19 0.00 0.36 0.00 0.00 54.97 56.30 1wfi s GLU 59 Cb -0.02 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1wfi s GLU 59 CO 0.00 -1.29 -0.42 1.28 -0.54 0.00 0.00 175.26 174.29 1wfi n LEU 60 N 8.01 -2.75 0.17 2.70 4.77 -1.20 -0.82 117.00 127.89 1wfi n LEU 60 Ca 0.15 0.09 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 1wfi n LEU 60 Cb 0.47 -0.88 0.27 0.00 -2.33 0.00 0.00 43.42 40.96 1wfi n LEU 60 CO 0.66 -3.74 0.62 0.22 -1.33 0.00 0.00 177.39 173.82 1wfi h TYR 61 N -1.47 0.00 -3.07 -1.77 5.03 -1.70 -3.40 116.97 110.59 1wfi h TYR 61 Ca -0.46 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.88 1wfi h TYR 61 Cb 1.34 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.58 1wfi h TYR 61 CO 0.19 0.44 0.21 -0.80 -1.32 0.00 0.00 178.16 176.88 1wfi s ASN 62 N -6.51 -0.15 0.70 -2.11 -0.87 -1.26 -5.06 114.94 99.68 1wfi s ASN 62 Ca 0.00 -0.79 -0.15 0.00 -1.57 0.00 0.00 52.86 50.36 1wfi s ASN 62 Cb 0.11 0.75 0.02 0.00 -0.02 0.00 0.00 41.25 42.11 1wfi s ASN 62 CO 0.71 -1.42 1.14 -1.61 -2.57 0.00 0.00 177.10 173.35 1wfi s GLU 63 N -3.49 2.46 -0.14 -0.60 2.02 -1.26 -4.64 118.70 113.05 1wfi s GLU 63 Ca 0.13 1.51 -0.11 0.00 0.02 0.00 0.00 54.97 56.53 1wfi s GLU 63 Cb -0.05 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.32 1wfi s GLU 63 CO 0.09 -1.54 0.35 0.14 0.02 0.00 0.00 175.26 174.32 1wfi s VAL 64 N -2.26 -0.01 -0.29 2.63 -7.23 0.12 -3.85 120.40 109.51 1wfi s VAL 64 Ca 0.69 0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 60.62 1wfi s VAL 64 Cb -0.23 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1wfi s VAL 64 CO 0.44 0.01 2.13 -0.75 -0.31 0.00 0.00 175.10 176.63 1wfi s LYS 65 N 0.52 3.03 0.06 4.82 2.20 0.44 -4.34 119.74 126.48 1wfi s LYS 65 Ca -0.03 1.76 -0.11 0.00 -0.36 0.00 0.00 55.97 57.24 1wfi s LYS 65 Cb -0.04 -4.36 -0.29 0.00 -1.51 0.00 0.00 37.83 31.63 1wfi s LYS 65 CO -0.03 -2.22 1.11 -0.39 -0.36 0.00 0.00 175.35 173.46 1wfi h VAL 66 N 7.13 1.37 -0.01 4.02 -1.51 -1.84 -3.12 116.25 122.29 1wfi h VAL 66 Ca -0.37 -2.73 0.00 0.00 -1.23 0.00 0.00 66.70 62.38 1wfi h VAL 66 Cb 1.22 2.85 -0.00 0.00 -2.13 0.00 0.00 31.29 33.24 1wfi h VAL 66 CO 1.01 0.81 0.21 -0.33 -1.23 0.00 0.00 177.57 178.04 1wfi h GLU 67 N 0.17 0.00 -0.17 5.19 5.08 -1.91 0.53 114.58 123.46 1wfi h GLU 67 Ca -0.18 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1wfi h GLU 67 Cb 1.98 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.19 1wfi h GLU 67 CO 0.23 0.00 -0.15 0.39 -1.00 0.00 0.00 179.01 178.48 1wfi n GLU 68 N -3.00 1.86 -3.96 2.33 1.02 -1.18 -5.02 120.64 112.70 1wfi n GLU 68 Ca -0.02 -3.02 -0.21 0.00 -0.02 0.00 0.00 57.16 53.89 1wfi n GLU 68 Cb 0.27 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfi s SER 69 N -2.67 5.62 0.32 1.62 0.01 0.19 -4.59 113.70 114.20 1wfi s SER 69 Ca 0.40 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 1wfi s SER 69 Cb 0.36 -1.34 0.06 0.00 0.21 0.00 0.00 66.02 65.31 1wfi s SER 69 CO 0.01 -0.16 0.82 -1.54 0.41 0.00 0.00 173.24 172.78 1wfi n SER 70 N -1.31 -2.03 -3.54 2.44 3.41 -0.47 -5.00 113.62 107.12 1wfi n SER 70 Ca -0.06 -2.32 -0.11 0.00 -0.26 0.00 0.00 58.87 56.12 1wfi n SER 70 Cb 0.58 3.37 -0.04 0.00 -0.26 0.00 0.00 64.21 67.86 1wfi n SER 70 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1wfi s TRP 71 N -2.43 -0.39 0.34 7.33 1.48 -1.26 0.11 118.94 124.11 1wfi s TRP 71 Ca 0.17 0.54 -0.11 0.00 -1.06 0.00 0.00 56.10 55.64 1wfi s TRP 71 Cb -0.04 0.48 0.02 0.00 -1.16 0.00 0.00 33.47 32.77 1wfi s TRP 71 CO 0.09 -0.44 0.61 -0.48 -4.06 0.00 0.00 176.95 172.67 1wfi s LEU 72 N -1.61 0.41 -0.17 -4.66 -0.00 0.15 -4.97 118.68 107.83 1wfi s LEU 72 Ca -0.00 -1.18 -0.02 0.00 -0.00 0.00 0.00 54.13 52.92 1wfi s LEU 72 Cb -0.01 2.14 -0.01 0.00 -0.00 0.00 0.00 46.19 48.31 1wfi s LEU 72 CO -0.01 -1.42 -0.08 -0.63 -0.00 0.00 0.00 176.35 174.21 1wfi s ILE 73 N -3.03 3.35 0.06 1.48 1.01 -1.26 0.93 121.20 123.75 1wfi s ILE 73 Ca 0.22 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 1wfi s ILE 73 Cb -0.03 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 1wfi s ILE 73 CO 0.14 0.48 0.37 -1.61 0.00 0.00 0.00 174.94 174.32 1wfi s GLU 74 N 0.78 3.73 -1.12 2.79 0.41 0.47 -4.03 118.70 121.73 1wfi s GLU 74 Ca -0.03 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 1wfi s GLU 74 Cb -0.15 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1wfi s GLU 74 CO 0.01 0.59 0.00 -0.25 -0.49 0.00 0.00 175.26 175.12 1wfi n ASP 75 N 1.00 -3.07 -3.91 -0.19 9.92 -1.26 -0.20 116.55 118.84 1wfi n ASP 75 Ca -0.09 0.26 -0.28 0.00 -0.53 0.00 0.00 54.79 54.15 1wfi n ASP 75 Cb 0.52 -2.86 -0.01 0.00 -0.64 0.00 0.00 41.12 38.13 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 -0.43 0.00 0.44 0.00 -1.26 -4.60 105.19 99.00 1wfi n GLY 76 Ca -0.12 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.40 0.00 -3.37 1.61 2.85 -0.32 -3.21 118.16 111.33 1wfi n LYS 77 Ca -0.25 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.65 1wfi n LYS 77 Cb 0.66 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.98 1wfi n LYS 77 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wfi s VAL 78 N -0.96 4.87 -0.13 0.58 1.01 0.72 -3.71 120.40 122.78 1wfi s VAL 78 Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 1wfi s VAL 78 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1wfi s VAL 78 CO 0.00 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1wfi s VAL 79 N -1.37 5.31 -0.01 2.92 1.01 0.62 0.18 120.40 129.06 1wfi s VAL 79 Ca 0.35 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1wfi s VAL 79 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1wfi s VAL 79 CO 0.19 0.59 -0.09 0.42 0.00 0.00 0.00 175.10 176.20 1wfi s THR 80 N -0.78 0.73 0.15 3.92 -4.23 0.27 0.19 115.64 115.88 1wfi s THR 80 Ca 0.13 -0.41 0.09 0.00 -1.18 0.00 0.00 61.69 60.32 1wfi s THR 80 Cb -0.12 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1wfi s THR 80 CO 0.03 0.20 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.42 1wfi s VAL 81 N -0.24 1.83 -0.24 2.29 1.01 0.11 0.35 120.40 125.51 1wfi s VAL 81 Ca 0.03 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 1wfi s VAL 81 Cb -0.04 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.64 1wfi s VAL 81 CO -0.00 -0.21 0.01 -2.28 0.00 0.00 0.00 175.10 172.62 1wfi s HIS 82 N -1.71 1.86 0.16 5.22 2.46 0.29 -1.99 115.29 121.58 1wfi s HIS 82 Ca 0.13 -1.50 0.04 0.00 0.47 0.00 0.00 55.06 54.21 1wfi s HIS 82 Cb -0.07 -1.47 -0.04 0.00 -0.13 0.00 0.00 32.58 30.87 1wfi s HIS 82 CO 0.06 -0.74 0.17 -0.51 -2.47 0.00 0.00 174.74 171.24 1wfi s LEU 83 N 1.57 3.92 -0.05 8.88 1.43 -0.00 -1.37 118.68 133.06 1wfi s LEU 83 Ca -0.01 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1wfi s LEU 83 Cb -0.18 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1wfi s LEU 83 CO -0.10 0.07 -0.11 -1.61 0.23 0.00 0.00 176.35 174.82 1wfi s GLU 84 N -3.13 1.41 0.51 1.70 8.01 -1.25 -0.52 118.70 125.44 1wfi s GLU 84 Ca 0.32 -0.37 -0.19 0.00 0.01 0.00 0.00 54.97 54.74 1wfi s GLU 84 Cb -0.10 -1.22 -0.07 0.00 -4.31 0.00 0.00 34.13 28.42 1wfi s GLU 84 CO 0.24 0.06 1.03 0.15 0.01 0.00 0.00 175.26 176.75 1wfi s LYS 85 N 0.50 3.73 -0.08 1.61 1.02 -0.54 0.17 119.74 126.14 1wfi s LYS 85 Ca -0.10 1.24 -0.26 0.00 0.02 0.00 0.00 55.97 56.87 1wfi s LYS 85 Cb -0.13 -2.09 -0.24 0.00 -0.52 0.00 0.00 37.83 34.85 1wfi s LYS 85 CO 0.02 -0.48 0.98 0.82 -0.92 0.00 0.00 175.35 175.78 1wfi h ILE 86 N 1.19 1.60 0.13 2.17 1.08 -1.89 -3.37 117.51 118.43 1wfi h ILE 86 Ca -0.48 -1.96 -0.36 0.00 -0.39 0.00 0.00 64.86 61.67 1wfi h ILE 86 Cb 1.21 2.89 -0.01 0.00 -3.07 0.00 0.00 36.82 37.83 1wfi h ILE 86 CO 0.59 0.52 -1.94 0.78 -0.69 0.00 0.00 178.15 177.41 1wfi h ASN 87 N -0.66 0.44 -4.58 1.72 2.35 -1.94 -3.49 115.58 109.42 1wfi h ASN 87 Ca -0.02 -0.92 -0.24 0.00 -0.55 0.00 0.00 56.30 54.58 1wfi h ASN 87 Cb 0.93 -0.14 0.12 0.00 0.05 0.00 0.00 38.32 39.28 1wfi h ASN 87 CO 0.03 1.81 -0.54 0.29 -1.65 0.00 0.00 177.43 177.37 1wfi n LYS 88 N -3.49 -4.78 -0.81 0.81 5.02 -1.26 -4.91 118.16 108.73 1wfi n LYS 88 Ca -0.30 0.60 -0.05 0.00 -2.02 0.00 0.00 58.31 56.55 1wfi n LYS 88 Cb 1.05 -4.89 -0.05 0.00 -0.02 0.00 0.00 35.03 31.12 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfi n MET 89 N -3.26 0.00 -4.42 1.97 0.00 -1.00 -4.49 117.12 105.92 1wfi n MET 89 Ca -0.19 -0.64 -0.20 0.00 0.00 0.00 0.00 57.70 56.67 1wfi n MET 89 Cb 0.61 0.34 -0.15 0.00 0.00 0.00 0.00 33.22 34.02 1wfi n MET 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1wfi s GLU 90 N 0.00 0.92 -0.04 3.17 2.56 -1.26 -5.09 118.70 118.95 1wfi s GLU 90 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 54.97 54.45 1wfi s GLU 90 Cb 0.00 -0.87 -0.05 0.00 2.00 0.00 0.00 34.13 35.21 1wfi s GLU 90 CO 0.00 0.17 0.49 -0.46 -0.56 0.00 0.00 175.26 174.90 1wfi s TRP 91 N -0.02 3.64 -0.02 5.30 -0.11 -1.26 -4.69 118.94 121.78 1wfi s TRP 91 Ca 0.00 1.02 -0.10 0.00 1.22 0.00 0.00 56.10 58.24 1wfi s TRP 91 Cb -0.06 -2.49 -0.05 0.00 -1.50 0.00 0.00 33.47 29.37 1wfi s TRP 91 CO 0.00 0.38 0.31 -1.58 -4.62 0.00 0.00 176.95 171.44 1wfi s TRP 92 N -0.19 3.65 -2.17 5.86 0.52 -1.26 -4.97 118.94 120.38 1wfi s TRP 92 Ca 0.27 0.77 0.23 0.00 0.02 0.00 0.00 56.10 57.39 1wfi s TRP 92 Cb -0.17 -2.12 0.13 0.00 -1.15 0.00 0.00 33.47 30.16 1wfi s TRP 92 CO 0.13 0.64 1.18 -1.71 0.02 0.00 0.00 176.95 177.22 1wfi n ASN 93 N 1.58 2.06 -3.60 2.95 5.15 -1.26 -4.96 115.26 117.18 1wfi n ASN 93 Ca -0.14 -1.53 -0.06 0.00 -0.60 0.00 0.00 54.58 52.25 1wfi n ASN 93 Cb 0.53 0.36 -0.04 0.00 -0.53 0.00 0.00 39.78 40.09 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfi s ARG 94 N -2.39 0.35 0.04 1.20 1.04 -1.26 -5.06 118.95 112.87 1wfi s ARG 94 Ca 0.21 0.07 -0.29 0.00 -1.04 0.00 0.00 55.73 54.68 1wfi s ARG 94 Cb 0.19 0.17 -0.17 0.00 -2.04 0.00 0.00 34.95 33.09 1wfi s ARG 94 CO 0.52 -0.11 1.38 1.25 -0.04 0.00 0.00 175.30 178.30 1wfi h LEU 95 N 2.30 -0.65 -8.63 -1.89 7.12 -1.97 -3.38 115.31 108.22 1wfi h LEU 95 Ca -0.13 -0.03 -0.48 0.00 0.13 0.00 0.00 57.88 57.36 1wfi h LEU 95 Cb 1.17 0.17 -0.20 0.00 -0.53 0.00 0.00 40.66 41.27 1wfi h LEU 95 CO 0.27 -0.35 -0.79 0.68 -0.13 0.00 0.00 178.44 178.12 1wfi s VAL 96 N -5.30 1.50 0.21 1.05 -7.23 -1.26 -2.71 120.40 106.65 1wfi s VAL 96 Ca -0.16 -1.62 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 1wfi s VAL 96 Cb 0.03 -1.50 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 1wfi s VAL 96 CO 0.55 -0.25 1.49 0.71 -0.31 0.00 0.00 175.10 177.29 1wfi h THR 97 N 3.80 1.49 -3.28 5.32 1.35 -1.20 -3.43 112.91 116.97 1wfi h THR 97 Ca -0.42 -2.45 -0.41 0.00 -0.55 0.00 0.00 66.41 62.58 1wfi h THR 97 Cb 1.19 2.32 -0.39 0.00 -1.73 0.00 0.00 68.15 69.55 1wfi h THR 97 CO 0.45 0.71 -0.75 -0.55 -0.25 0.00 0.00 175.52 175.12 1wfi s SER 98 N -6.85 1.42 0.50 5.36 0.15 -1.26 -5.01 113.70 108.01 1wfi s SER 98 Ca -0.02 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 1wfi s SER 98 Cb 0.11 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1wfi s SER 98 CO 0.80 -0.22 0.85 1.51 1.20 0.00 0.00 173.24 177.37 1wfi s ASP 99 N 2.06 6.32 0.00 5.45 1.47 -1.26 -3.84 116.67 126.87 1wfi s ASP 99 Ca 0.05 1.11 0.00 0.00 1.18 0.00 0.00 52.55 54.89 1wfi s ASP 99 Cb -0.12 -2.33 0.00 0.00 -0.34 0.00 0.00 42.92 40.13 1wfi s ASP 99 CO -0.04 -0.62 0.22 -0.81 0.68 0.00 0.00 175.17 174.60 1wfi n PRO 100 N -2.17 0.00 -3.37 2.11 -0.04 -1.25 -4.91 135.00 125.37 1wfi n PRO 100 Ca 0.02 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1wfi n PRO 100 Cb 0.55 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.91 1wfi n PRO 100 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1wfi s GLU 101 N -1.22 0.33 0.50 0.54 -1.05 -1.26 -5.12 118.70 111.43 1wfi s GLU 101 Ca 0.00 0.28 -0.21 0.00 -0.15 0.00 0.00 54.97 54.89 1wfi s GLU 101 Cb 0.00 -0.59 -0.07 0.00 -0.44 0.00 0.00 34.13 33.03 1wfi s GLU 101 CO 0.00 -0.80 1.10 0.96 0.95 0.00 0.00 175.26 177.48 1wfi s ILE 102 N 2.48 3.38 -0.13 1.83 -4.36 -1.26 -4.96 121.20 118.18 1wfi s ILE 102 Ca 0.11 0.91 0.11 0.00 -0.26 0.00 0.00 60.65 61.51 1wfi s ILE 102 Cb -0.15 -3.39 -0.15 0.00 1.25 0.00 0.00 42.46 40.02 1wfi s ILE 102 CO -0.21 -0.14 0.03 -3.20 0.24 0.00 0.00 174.94 171.66 1wfi n ASN 103 N -0.96 1.95 -4.40 4.36 2.85 -1.26 -5.01 115.26 112.79 1wfi n ASN 103 Ca 0.10 -0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.27 1wfi n ASN 103 Cb 0.51 0.76 0.16 0.00 1.24 0.00 0.00 39.78 42.44 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wfi s THR 104 N -2.30 1.97 0.16 -0.44 -4.23 -1.26 -5.10 115.64 104.44 1wfi s THR 104 Ca -0.07 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.30 1wfi s THR 104 Cb 0.04 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1wfi s THR 104 CO 0.51 0.00 0.40 -0.54 -0.54 0.00 0.00 174.62 174.45 1wfi s LYS 105 N -5.70 1.21 0.53 3.99 1.02 -1.26 -4.40 119.74 115.13 1wfi s LYS 105 Ca 0.69 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1wfi s LYS 105 Cb -0.07 0.45 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 1wfi s LYS 105 CO 0.52 -0.48 0.00 1.17 -0.92 0.00 0.00 175.35 175.64 1wfi n LYS 106 N -0.26 -4.02 0.00 1.68 0.00 -1.26 -4.84 118.16 109.47 1wfi n LYS 106 Ca -0.11 3.07 0.00 0.00 0.00 0.00 0.00 58.31 61.27 1wfi n LYS 106 Cb 0.63 -3.71 0.00 0.00 0.00 0.00 0.00 35.03 31.95 1wfi n LYS 106 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1wfi n ILE 107 N -1.98 0.00 -3.52 3.15 5.41 -1.26 -4.59 119.36 116.56 1wfi n ILE 107 Ca 0.00 0.82 -0.16 0.00 1.00 0.00 0.00 62.75 64.42 1wfi n ILE 107 Cb 0.30 -1.69 -0.05 0.00 -0.71 0.00 0.00 39.64 37.48 1wfi n ILE 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1wfi s ASN 108 N -1.87 -0.59 0.06 4.38 -0.87 -1.26 -4.98 114.94 109.82 1wfi s ASN 108 Ca 0.00 0.58 -0.15 0.00 -1.57 0.00 0.00 52.86 51.72 1wfi s ASN 108 Cb 0.00 0.49 -0.21 0.00 -0.02 0.00 0.00 41.25 41.52 1wfi s ASN 108 CO 0.00 -0.59 1.21 1.55 -2.57 0.00 0.00 177.10 176.70 1wfi h PRO 109 N 2.81 0.64 0.00 -0.60 0.13 -1.98 -3.47 132.00 129.53 1wfi h PRO 109 Ca -0.26 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1wfi h PRO 109 Cb 1.16 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wfi h PRO 109 CO 0.37 1.23 0.00 0.39 -0.23 0.00 0.00 178.00 179.76 1wfi n GLU 110 N -4.00 1.91 0.00 0.86 1.02 -1.26 -5.19 120.64 113.98 1wfi n GLU 110 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1wfi n GLU 110 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 1wfi n GLU 110 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wfi n ASN 111 N 0.00 0.00 -3.75 1.62 3.02 -1.26 -5.10 115.26 109.79 1wfi n ASN 111 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1wfi n ASN 111 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1wfi n ASN 111 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wfi s SER 112 N 0.00 3.82 -0.07 6.41 1.04 -1.26 -5.09 113.70 118.56 1wfi s SER 112 Ca 0.00 -2.41 0.05 0.00 0.48 0.00 0.00 55.95 54.06 1wfi s SER 112 Cb 0.00 -1.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.05 1wfi s SER 112 CO 0.00 -0.30 -0.22 -0.75 0.98 0.00 0.00 173.24 172.95 1wfi s LYS 113 N 0.62 2.45 -0.77 4.02 2.36 -1.26 -5.06 119.74 122.09 1wfi s LYS 113 Ca 0.16 -0.78 0.03 0.00 -2.55 0.00 0.00 55.97 52.82 1wfi s LYS 113 Cb -0.23 -1.99 0.23 0.00 -1.05 0.00 0.00 37.83 34.79 1wfi s LYS 113 CO -0.05 0.25 0.78 1.28 1.55 0.00 0.00 175.35 179.16 1wfi n LEU 114 N 3.26 3.99 -2.70 5.43 4.77 -1.26 -4.85 117.00 125.64 1wfi n LEU 114 Ca -0.19 -5.29 -0.04 0.00 -0.03 0.00 0.00 56.01 50.46 1wfi n LEU 114 Cb 0.52 -0.86 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1wfi n LEU 114 CO 0.26 1.82 0.37 -0.24 -1.33 0.00 0.00 177.39 178.27 1wfi n SER 115 N 1.53 -2.16 -3.89 -1.43 2.88 -1.26 -5.10 113.62 104.20 1wfi n SER 115 Ca 0.25 -1.91 -0.30 0.00 -1.33 0.00 0.00 58.87 55.58 1wfi n SER 115 Cb 0.38 1.14 -0.14 0.00 -0.75 0.00 0.00 64.21 64.84 1wfi n SER 115 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wfi s ASP 116 N 0.43 4.16 0.64 -3.46 -1.08 -1.26 -5.10 116.67 111.00 1wfi s ASP 116 Ca 0.27 -2.81 0.02 0.00 -0.52 0.00 0.00 52.55 49.50 1wfi s ASP 116 Cb 0.12 -1.46 0.11 0.00 -1.46 0.00 0.00 42.92 40.24 1wfi s ASP 116 CO -0.10 -0.26 0.81 0.18 0.52 0.00 0.00 175.17 176.32 1wfi n LEU 117 N 3.35 0.00 -4.71 -1.34 4.77 -1.26 -5.01 117.00 112.80 1wfi n LEU 117 Ca 0.06 -1.85 -0.42 0.00 -0.03 0.00 0.00 56.01 53.76 1wfi n LEU 117 Cb 0.34 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1wfi n LEU 117 CO 0.30 -0.86 1.39 -0.62 -1.33 0.00 0.00 177.39 176.27 1wfi s ASP 118 N -4.34 6.42 0.00 -1.43 2.15 -1.26 -4.91 116.67 113.29 1wfi s ASP 118 Ca 0.55 2.80 0.00 0.00 0.43 0.00 0.00 52.55 56.33 1wfi s ASP 118 Cb -0.03 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1wfi s ASP 118 CO 0.36 -0.97 0.00 -1.20 -0.17 0.00 0.00 175.17 173.19 1wfi n SER 119 N 4.54 0.00 -3.11 -0.34 7.64 -1.26 -5.14 113.62 115.95 1wfi n SER 119 Ca 0.16 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.08 1wfi n SER 119 Cb 0.36 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1wfi n SER 119 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wfi s GLU 120 N 0.00 0.40 0.85 1.43 2.02 -1.26 -5.16 118.70 116.97 1wfi s GLU 120 Ca 0.00 0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.10 1wfi s GLU 120 Cb 0.00 0.14 0.10 0.00 0.10 0.00 0.00 34.13 34.47 1wfi s GLU 120 CO 0.00 -0.69 1.10 -0.08 0.02 0.00 0.00 175.26 175.61 1wfi s THR 121 N 2.65 2.87 -0.02 3.63 -1.32 -1.26 -5.06 115.64 117.13 1wfi s THR 121 Ca 0.18 0.28 -0.08 0.00 -1.21 0.00 0.00 61.69 60.87 1wfi s THR 121 Cb -0.05 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 68.29 1wfi s THR 121 CO -0.21 -0.37 0.16 -0.13 -2.21 0.00 0.00 174.62 171.86 1wfi s ARG 122 N -4.85 0.43 0.00 7.08 1.81 -1.26 -5.15 118.95 117.01 1wfi s ARG 122 Ca 0.63 -0.23 0.00 0.00 -1.72 0.00 0.00 55.73 54.41 1wfi s ARG 122 Cb -0.19 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.50 1wfi s ARG 122 CO 0.57 -0.10 0.00 0.45 -0.68 0.00 0.00 175.30 175.54 1wfi n SER 123 N 1.81 0.00 -3.69 0.23 2.88 -1.26 -5.18 113.62 108.41 1wfi n SER 123 Ca -0.20 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.20 1wfi n SER 123 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.94 1wfi n SER 123 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1wfi s MET 124 N -1.01 0.65 0.00 -1.46 0.00 -1.26 -5.17 119.30 111.06 1wfi s MET 124 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 55.69 56.17 1wfi s MET 124 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 34.83 35.14 1wfi s MET 124 CO 0.00 -0.12 0.00 1.33 0.00 0.00 0.00 175.02 176.23 1wfi n VAL 125 N 2.30 0.00 -3.60 10.11 0.24 -1.26 -5.19 118.33 120.94 1wfi n VAL 125 Ca -0.16 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.17 1wfi n VAL 125 Cb 0.56 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1wfi n VAL 125 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1wfi s SER 126 N 1.00 -0.04 -0.33 -1.34 0.01 -1.26 -5.14 113.70 106.61 1wfi s SER 126 Ca 0.00 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.21 1wfi s SER 126 Cb 0.00 0.11 0.17 0.00 0.21 0.00 0.00 66.02 66.50 1wfi s SER 126 CO 0.00 -0.20 0.45 -0.83 0.41 0.00 0.00 173.24 173.08 1wfi s GLY 127 N -2.99 -0.63 1.05 3.44 0.00 -1.26 -5.16 107.32 101.78 1wfi s GLY 127 Ca 0.14 0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.71 1wfi s GLY 127 CO -0.05 3.14 1.21 2.56 0.00 0.00 0.00 173.10 179.95 1wfi s PRO 128 N 2.19 -0.06 0.23 2.90 0.04 -1.26 -5.10 135.00 133.95 1wfi s PRO 128 Ca 0.12 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 60.82 1wfi s PRO 128 Cb -0.11 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1wfi s PRO 128 CO -0.20 -2.92 0.61 -1.12 0.04 0.00 0.00 177.00 173.41 1wfi s SER 129 N -4.34 -0.27 0.22 6.66 0.01 -1.26 -5.19 113.70 109.54 1wfi s SER 129 Ca 0.71 -0.55 -0.23 0.00 1.31 0.00 0.00 55.95 57.19 1wfi s SER 129 Cb -0.08 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.83 1wfi s SER 129 CO 0.54 -1.18 0.83 -0.55 0.41 0.00 0.00 173.24 173.29 1wfi s SER 130 N -2.90 -0.23 0.00 2.44 0.15 -1.26 -5.37 113.70 106.53 1wfi s SER 130 Ca 0.11 -0.51 0.26 0.00 0.70 0.00 0.00 55.95 56.51 1wfi s SER 130 Cb -0.03 0.62 1.58 0.00 -1.71 0.00 0.00 66.02 66.48 1wfi s SER 130 CO 0.02 -1.15 1.93 0.61 1.20 0.00 0.00 173.24 175.85