#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 -0.83 -4.35 1.61 2.88 -1.26 -5.12 113.62 106.56 1wfi n SER 2 Ca 0.00 0.52 -0.33 0.00 -1.33 0.00 0.00 58.87 57.73 1wfi n SER 2 Cb 0.00 1.12 -0.14 0.00 -0.75 0.00 0.00 64.21 64.44 1wfi n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfi s SER 3 N -2.00 4.05 0.00 -3.46 0.15 -1.26 -4.97 113.70 106.21 1wfi s SER 3 Ca 0.00 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1wfi s SER 3 Cb 0.00 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1wfi s SER 3 CO 0.00 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wfi n GLY 4 N 3.87 -0.11 1.65 9.45 0.00 -1.26 -5.16 105.19 113.63 1wfi n GLY 4 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.47 -8.66 -4.64 1.61 7.64 -1.26 -4.73 113.62 102.11 1wfi n SER 5 Ca 0.00 1.21 -0.43 0.00 1.01 0.00 0.00 58.87 60.67 1wfi n SER 5 Cb 0.00 -4.47 -0.03 0.00 -1.01 0.00 0.00 64.21 58.70 1wfi n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfi s SER 6 N -2.15 6.27 0.00 6.43 0.01 -1.26 -4.71 113.70 118.29 1wfi s SER 6 Ca 0.00 2.00 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1wfi s SER 6 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1wfi s SER 6 CO 0.00 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.97 1wfi n GLY 7 N 4.76 -2.12 0.00 3.44 0.00 -1.26 -5.03 105.19 104.98 1wfi n GLY 7 Ca 0.21 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.02 0.52 -1.21 1.61 -0.04 -1.26 -4.95 135.00 129.64 1wfi n PRO 8 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1wfi n PRO 8 Cb 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.61 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 -0.96 4.47 -3.77 3.54 3.02 -1.26 -4.96 115.26 115.34 1wfi n ASN 9 Ca 0.00 -3.72 -0.09 0.00 -0.03 0.00 0.00 54.58 50.74 1wfi n ASN 9 Cb 0.00 -0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 38.36 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 -3.45 -0.11 -0.05 3.10 -0.85 -1.26 -4.88 117.35 109.85 1wfi s TYR 10 Ca 0.55 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.82 1wfi s TYR 10 Cb 0.46 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 43.22 1wfi s TYR 10 CO 0.04 -0.99 0.11 1.03 -1.52 0.00 0.00 175.55 174.22 1wfi s ARG 11 N -3.89 3.25 0.08 -3.49 0.52 -0.98 -4.99 118.95 109.44 1wfi s ARG 11 Ca 0.11 -0.34 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 1wfi s ARG 11 Cb -0.02 -3.00 0.05 0.00 0.52 0.00 0.00 34.95 32.50 1wfi s ARG 11 CO -0.00 0.70 0.52 1.67 0.02 0.00 0.00 175.30 178.21 1wfi s TRP 12 N -1.14 -0.42 0.00 -0.53 1.48 -1.26 -0.04 118.94 117.03 1wfi s TRP 12 Ca 0.20 0.36 0.00 0.00 -1.06 0.00 0.00 56.10 55.61 1wfi s TRP 12 Cb -0.12 0.38 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 1wfi s TRP 12 CO 0.11 -0.70 0.00 0.25 -4.06 0.00 0.00 176.95 172.55 1wfi n THR 13 N 0.14 0.00 0.00 0.66 -2.24 0.31 -4.95 114.28 108.20 1wfi n THR 13 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1wfi n THR 13 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.79 -2.49 -0.78 10.64 -1.26 -1.22 117.38 120.48 1wfi n GLN 14 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wfi n GLN 14 Cb 0.00 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.43 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 -0.38 0.84 -1.19 -0.39 5.66 -0.84 -4.93 114.28 113.04 1wfi n THR 15 Ca 0.00 -2.24 -0.07 0.00 -3.05 0.00 0.00 64.05 58.70 1wfi n THR 15 Cb 0.00 1.19 -0.03 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.45 0.01 0.13 1.09 4.77 -1.26 -4.57 117.00 116.73 1wfi n LEU 16 Ca 0.03 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1wfi n LEU 16 Cb 0.88 -2.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 1wfi n LEU 16 CO 0.02 -0.84 0.00 0.00 -1.33 0.00 0.00 177.39 175.24 1wfi n ALA 17 N 1.12 2.75 -2.78 -1.18 0.00 -1.26 -1.42 120.51 117.74 1wfi n ALA 17 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1wfi n ALA 17 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.82 2.78 -0.14 0.00 2.02 -1.26 -1.44 118.70 118.84 1wfi s GLU 18 Ca 0.00 -1.05 0.01 0.00 0.02 0.00 0.00 54.97 53.94 1wfi s GLU 18 Cb 0.00 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.74 1wfi s GLU 18 CO 0.00 0.43 -0.14 -0.51 0.02 0.00 0.00 175.26 175.05 1wfi s LEU 19 N -3.52 1.69 -0.11 1.80 1.43 0.23 -1.98 118.68 118.22 1wfi s LEU 19 Ca 0.32 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1wfi s LEU 19 Cb -0.08 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1wfi s LEU 19 CO 0.23 -0.04 0.08 -1.81 0.23 0.00 0.00 176.35 175.04 1wfi s ASP 20 N 1.39 5.87 -0.01 2.29 1.11 -0.36 -0.32 116.67 126.64 1wfi s ASP 20 Ca 0.03 0.32 -0.03 0.00 0.18 0.00 0.00 52.55 53.04 1wfi s ASP 20 Cb -0.13 -1.81 0.00 0.00 1.07 0.00 0.00 42.92 42.05 1wfi s ASP 20 CO -0.09 0.39 0.07 -0.22 1.18 0.00 0.00 175.17 176.51 1wfi s LEU 21 N -0.93 1.76 -0.10 1.23 2.96 -0.14 0.11 118.68 123.58 1wfi s LEU 21 Ca 0.14 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1wfi s LEU 21 Cb -0.12 0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.97 1wfi s LEU 21 CO 0.03 -0.17 0.20 0.00 -1.32 0.00 0.00 176.35 175.10 1wfi s ALA 22 N -0.60 -0.37 -0.30 5.97 0.00 0.94 -0.18 121.76 127.21 1wfi s ALA 22 Ca -0.07 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.70 1wfi s ALA 22 Cb -0.04 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.39 1wfi s ALA 22 CO 0.00 -0.44 -0.02 0.08 0.00 0.00 0.00 175.76 175.39 1wfi s VAL 23 N 1.91 2.02 0.35 0.00 1.01 0.29 -2.32 120.40 123.65 1wfi s VAL 23 Ca -0.02 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 1wfi s VAL 23 Cb -0.12 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 1wfi s VAL 23 CO -0.07 -0.34 1.06 -2.16 0.00 0.00 0.00 175.10 173.59 1wfi s PRO 24 N 1.10 4.37 -0.02 2.72 0.04 -1.26 -0.60 135.00 141.34 1wfi s PRO 24 Ca 0.02 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.74 1wfi s PRO 24 Cb -0.19 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1wfi s PRO 24 CO -0.08 0.02 -0.21 -0.06 0.04 0.00 0.00 177.00 176.70 1wfi s PHE 25 N -1.45 1.93 -0.82 0.56 0.08 -1.12 -4.95 117.98 112.20 1wfi s PHE 25 Ca 0.52 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 57.02 1wfi s PHE 25 Cb -0.26 -1.24 0.14 0.00 -0.57 0.00 0.00 43.02 41.09 1wfi s PHE 25 CO 0.33 -0.04 0.97 1.03 -0.10 0.00 0.00 175.22 177.41 1wfi s ARG 26 N -0.48 3.45 0.23 0.44 1.81 -1.26 -4.79 118.95 118.35 1wfi s ARG 26 Ca 0.08 -1.73 0.01 0.00 -1.72 0.00 0.00 55.73 52.37 1wfi s ARG 26 Cb -0.08 -4.64 -0.04 0.00 -0.45 0.00 0.00 34.95 29.74 1wfi s ARG 26 CO -0.01 -1.65 0.17 0.14 -0.68 0.00 0.00 175.30 173.28 1wfi s VAL 27 N 2.34 0.00 -0.55 3.52 -7.23 -1.26 -5.05 120.40 112.17 1wfi s VAL 27 Ca 0.25 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 1wfi s VAL 27 Cb -0.10 -2.50 0.15 0.00 0.56 0.00 0.00 36.38 34.49 1wfi s VAL 27 CO -0.05 0.00 1.08 -1.20 -0.31 0.00 0.00 175.10 174.62 1wfi n SER 28 N -0.60 2.38 -4.37 4.85 7.64 -1.26 -5.02 113.62 117.25 1wfi n SER 28 Ca 0.03 -1.90 -0.18 0.00 1.01 0.00 0.00 58.87 57.83 1wfi n SER 28 Cb 0.65 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.93 1.70 0.11 1.43 -0.12 -1.26 -5.13 117.98 113.77 1wfi s PHE 29 Ca 0.12 -1.07 -0.28 0.00 -0.05 0.00 0.00 56.93 55.65 1wfi s PHE 29 Cb 0.07 -1.05 -0.06 0.00 -0.63 0.00 0.00 43.02 41.35 1wfi s PHE 29 CO 0.09 -0.17 0.88 1.03 -0.05 0.00 0.00 175.22 176.99 1wfi s ARG 30 N -3.96 4.64 -0.21 1.99 3.00 -1.26 -4.75 118.95 118.40 1wfi s ARG 30 Ca 0.36 1.30 -0.28 0.00 0.00 0.00 0.00 55.73 57.12 1wfi s ARG 30 Cb 0.08 -3.35 0.00 0.00 0.00 0.00 0.00 34.95 31.68 1wfi s ARG 30 CO 0.14 0.30 0.97 -0.51 0.00 0.00 0.00 175.30 176.20 1wfi s LEU 31 N -0.25 4.13 0.42 2.53 2.01 -0.85 -4.99 118.68 121.68 1wfi s LEU 31 Ca 0.42 1.32 -0.04 0.00 0.01 0.00 0.00 54.13 55.84 1wfi s LEU 31 Cb -0.23 -3.45 -0.04 0.00 0.01 0.00 0.00 46.19 42.49 1wfi s LEU 31 CO 0.27 -0.58 0.71 -0.54 1.01 0.00 0.00 176.35 177.22 1wfi s LYS 32 N 2.84 3.56 0.00 1.70 1.02 -1.26 -4.80 119.74 122.79 1wfi s LYS 32 Ca 0.42 0.08 0.13 0.00 0.02 0.00 0.00 55.97 56.62 1wfi s LYS 32 Cb -0.16 -2.47 0.64 0.00 -0.52 0.00 0.00 37.83 35.32 1wfi s LYS 32 CO 0.09 -0.06 1.35 0.41 -0.92 0.00 0.00 175.35 176.22 1wfi n GLY 33 N -1.93 -0.77 0.36 -3.33 0.00 -1.26 -1.16 105.19 97.10 1wfi n GLY 33 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.33 2.13 0.00 1.61 2.85 -1.26 -4.41 118.16 117.74 1wfi n LYS 34 Ca 0.06 -2.49 0.00 0.00 -1.05 0.00 0.00 58.31 54.82 1wfi n LYS 34 Cb 0.11 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 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 -0.89 1.50 -4.37 -5.58 8.00 -0.31 -4.98 116.55 109.93 1wfi n ASP 35 Ca 0.15 -1.69 -0.19 0.00 0.71 0.00 0.00 54.79 53.78 1wfi n ASP 35 Cb 0.66 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.65 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wfi s VAL 36 N -0.69 1.08 -0.32 2.53 0.11 -1.22 -2.53 120.40 119.36 1wfi s VAL 36 Ca 0.00 -2.03 -0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1wfi s VAL 36 Cb 0.00 -2.50 0.10 0.00 -1.53 0.00 0.00 36.38 32.45 1wfi s VAL 36 CO 0.00 -0.21 0.11 -0.69 -3.33 0.00 0.00 175.10 170.99 1wfi s VAL 37 N -3.38 0.93 -0.37 2.04 1.01 0.50 -4.52 120.40 116.61 1wfi s VAL 37 Ca 0.32 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1wfi s VAL 37 Cb 0.06 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.85 1wfi s VAL 37 CO 0.11 -0.70 0.10 -0.69 0.00 0.00 0.00 175.10 173.92 1wfi s VAL 38 N 1.47 2.51 -0.40 2.92 1.01 -1.25 -1.74 120.40 124.91 1wfi s VAL 38 Ca 0.11 -2.37 -0.16 0.00 0.00 0.00 0.00 61.98 59.56 1wfi s VAL 38 Cb -0.18 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1wfi s VAL 38 CO -0.22 -0.63 0.38 -0.62 0.00 0.00 0.00 175.10 174.01 1wfi s ASP 39 N 0.99 6.17 -0.34 3.32 -1.08 0.68 -4.99 116.67 121.41 1wfi s ASP 39 Ca 0.11 -0.64 -0.11 0.00 -0.52 0.00 0.00 52.55 51.39 1wfi s ASP 39 Cb -0.20 -2.20 -0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1wfi s ASP 39 CO -0.07 -0.49 0.21 -0.63 0.52 0.00 0.00 175.17 174.71 1wfi s ILE 40 N 1.98 4.92 0.21 4.11 1.01 -1.26 -2.14 121.20 130.04 1wfi s ILE 40 Ca 0.10 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1wfi s ILE 40 Cb -0.17 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1wfi s ILE 40 CO 0.12 -0.03 0.10 0.00 0.00 0.00 0.00 174.94 175.13 1wfi n GLN 41 N 5.05 1.30 -0.02 2.79 1.13 -0.69 -4.93 117.38 122.00 1wfi n GLN 41 Ca -0.13 -1.38 -0.13 0.00 -1.94 0.00 0.00 57.00 53.42 1wfi n GLN 41 Cb 0.49 0.23 -0.09 0.00 0.11 0.00 0.00 30.24 30.98 1wfi n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1wfi h ARG 42 N 0.00 0.09 -1.28 -1.09 9.65 -1.97 -3.38 114.38 116.39 1wfi h ARG 42 Ca -0.15 -0.04 -0.40 0.00 -1.10 0.00 0.00 59.98 58.29 1wfi h ARG 42 Cb 0.50 -0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.67 1wfi h ARG 42 CO 0.24 0.49 -1.18 -2.13 2.80 0.00 0.00 179.97 180.19 1wfi n ARG 43 N -4.82 1.20 -3.64 0.20 0.63 -1.26 0.16 116.66 109.14 1wfi n ARG 43 Ca -0.08 -3.35 -0.07 0.00 -0.92 0.00 0.00 57.85 53.44 1wfi n ARG 43 Cb 0.24 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 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 -2.97 -0.58 -0.04 -0.14 2.46 -1.26 -2.65 115.29 110.11 1wfi s HIS 44 Ca 0.31 1.30 0.04 0.00 0.47 0.00 0.00 55.06 57.18 1wfi s HIS 44 Cb 0.43 0.38 -0.00 0.00 -0.13 0.00 0.00 32.58 33.25 1wfi s HIS 44 CO -0.00 -0.28 -0.17 -1.17 -2.47 0.00 0.00 174.74 170.65 1wfi s LEU 45 N 0.72 1.92 -0.22 8.88 2.96 -1.15 -1.71 118.68 130.08 1wfi s LEU 45 Ca -0.02 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1wfi s LEU 45 Cb -0.05 -0.94 0.08 0.00 0.50 0.00 0.00 46.19 45.78 1wfi s LEU 45 CO -0.10 0.15 0.12 -0.60 -1.32 0.00 0.00 176.35 174.60 1wfi s ARG 46 N 0.01 0.12 0.20 1.98 3.52 -0.91 -2.95 118.95 120.92 1wfi s ARG 46 Ca -0.03 -0.25 0.10 0.00 -0.13 0.00 0.00 55.73 55.42 1wfi s ARG 46 Cb -0.11 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.73 1wfi s ARG 46 CO 0.02 -0.82 -0.13 0.08 -0.81 0.00 0.00 175.30 173.64 1wfi s VAL 47 N 2.14 2.97 0.00 7.11 1.01 -0.50 -0.23 120.40 132.89 1wfi s VAL 47 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1wfi s VAL 47 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1wfi s VAL 47 CO -0.21 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1wfi n GLY 48 N -0.02 2.66 3.78 4.51 0.00 -0.71 -1.34 105.19 114.07 1wfi n GLY 48 Ca -0.10 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 4.41 0.01 0.99 1.43 -1.26 0.19 118.68 124.45 1wfi s LEU 49 Ca 0.00 1.03 -0.38 0.00 -1.03 0.00 0.00 54.13 53.76 1wfi s LEU 49 Cb 0.00 -2.77 -0.17 0.00 0.03 0.00 0.00 46.19 43.27 1wfi s LEU 49 CO 0.00 0.15 1.37 1.17 0.23 0.00 0.00 176.35 179.27 1wfi n LYS 50 N 2.62 0.98 0.00 1.70 4.81 -1.05 0.15 118.16 127.36 1wfi n LYS 50 Ca -0.09 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1wfi n LYS 50 Cb 0.51 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 2.65 2.56 3.92 3.14 0.00 -1.26 -4.96 105.19 111.23 1wfi n GLY 51 Ca 0.20 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1wfi n GLY 51 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wfi s GLN 52 N 0.00 2.46 0.37 1.61 -2.07 0.12 -5.05 119.66 117.11 1wfi s GLN 52 Ca 0.00 -0.08 -0.25 0.00 -1.82 0.00 0.00 55.36 53.21 1wfi s GLN 52 Cb 0.00 -2.17 -0.09 0.00 -1.09 0.00 0.00 33.01 29.66 1wfi s GLN 52 CO 0.00 -1.08 1.06 -1.25 -1.32 0.00 0.00 175.29 172.70 1wfi s PRO 53 N -5.21 4.26 -0.34 9.60 0.04 -1.26 -4.46 135.00 137.64 1wfi s PRO 53 Ca 0.58 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 1wfi s PRO 53 Cb -0.11 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1wfi s PRO 53 CO 0.46 -0.07 1.37 -1.25 0.04 0.00 0.00 177.00 177.55 1wfi s PRO 54 N -2.27 3.76 0.38 0.56 0.04 -1.26 -4.43 135.00 131.79 1wfi s PRO 54 Ca 0.55 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1wfi s PRO 54 Cb -0.24 -3.95 0.83 0.00 0.04 0.00 0.00 34.50 31.17 1wfi s PRO 54 CO 0.31 -1.33 1.95 0.28 0.04 0.00 0.00 177.00 178.25 1wfi h VAL 55 N 6.19 0.97 -3.51 -0.36 2.07 -1.32 -3.39 116.25 116.89 1wfi h VAL 55 Ca -0.27 -0.22 -0.66 0.00 0.82 0.00 0.00 66.70 66.36 1wfi h VAL 55 Cb 1.11 0.26 -0.23 0.00 -1.52 0.00 0.00 31.29 30.90 1wfi h VAL 55 CO 1.05 0.12 -0.73 -0.69 0.02 0.00 0.00 177.57 177.34 1wfi s VAL 56 N -5.59 3.39 -0.30 2.57 1.01 -1.13 -4.82 120.40 115.53 1wfi s VAL 56 Ca -0.09 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1wfi s VAL 56 Cb 0.20 -2.41 0.18 0.00 0.00 0.00 0.00 36.38 34.34 1wfi s VAL 56 CO 0.77 0.54 1.11 -0.62 0.00 0.00 0.00 175.10 176.90 1wfi s ASP 57 N -0.08 -0.28 -0.23 3.32 2.15 -1.18 -1.41 116.67 118.95 1wfi s ASP 57 Ca -0.01 0.07 -0.37 0.00 0.43 0.00 0.00 52.55 52.68 1wfi s ASP 57 Cb -0.14 1.19 0.15 0.00 -0.30 0.00 0.00 42.92 43.83 1wfi s ASP 57 CO 0.03 -0.05 1.36 -0.83 -0.17 0.00 0.00 175.17 175.51 1wfi s GLY 58 N 2.97 -0.27 -0.53 2.66 0.00 -1.15 -3.64 107.32 107.36 1wfi s GLY 58 Ca 0.18 1.68 -0.28 0.00 0.00 0.00 0.00 44.72 46.29 1wfi s GLY 58 CO -0.18 0.53 1.23 1.85 0.00 0.00 0.00 173.10 176.54 1wfi s GLU 59 N -2.12 3.55 1.00 2.90 2.12 -1.26 -2.93 118.70 121.96 1wfi s GLU 59 Ca 0.12 0.44 -0.18 0.00 0.36 0.00 0.00 54.97 55.72 1wfi s GLU 59 Cb 0.01 -4.00 -0.11 0.00 0.26 0.00 0.00 34.13 30.29 1wfi s GLU 59 CO -0.03 -1.62 -0.63 1.28 -0.54 0.00 0.00 175.26 173.71 1wfi n LEU 60 N 8.48 -4.34 0.06 2.70 4.77 -1.08 -0.62 117.00 126.97 1wfi n LEU 60 Ca 0.11 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1wfi n LEU 60 Cb 0.49 -0.82 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 1wfi n LEU 60 CO 0.72 -4.99 0.10 0.22 -1.33 0.00 0.00 177.39 172.11 1wfi h TYR 61 N -1.16 0.05 -3.66 -1.77 5.03 -1.29 -3.40 116.97 110.78 1wfi h TYR 61 Ca -0.44 -0.04 -0.28 0.00 2.58 0.00 0.00 58.73 60.56 1wfi h TYR 61 Cb 1.31 -0.00 -0.31 0.00 1.55 0.00 0.00 36.73 39.28 1wfi h TYR 61 CO 0.22 1.03 -0.73 1.21 -1.32 0.00 0.00 178.16 178.57 1wfi s ASN 62 N -6.74 0.15 0.99 -2.11 2.47 -1.26 -5.04 114.94 103.41 1wfi s ASN 62 Ca 0.00 -0.00 -0.17 0.00 0.42 0.00 0.00 52.86 53.11 1wfi s ASN 62 Cb 0.10 -0.06 -0.06 0.00 -1.45 0.00 0.00 41.25 39.78 1wfi s ASN 62 CO 0.83 -0.04 -0.33 -0.62 -3.72 0.00 0.00 177.10 173.21 1wfi n GLU 63 N 3.53 -0.28 -3.78 0.43 4.71 -1.26 -4.88 120.64 119.10 1wfi n GLU 63 Ca -0.19 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.16 56.77 1wfi n GLU 63 Cb 0.56 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.49 1wfi n GLU 63 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1wfi s VAL 64 N -2.18 0.04 -0.27 2.62 -7.23 0.43 -3.07 120.40 110.75 1wfi s VAL 64 Ca 0.48 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 60.03 1wfi s VAL 64 Cb -0.16 -0.52 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 1wfi s VAL 64 CO 0.73 -0.18 1.40 -0.75 -0.31 0.00 0.00 175.10 176.00 1wfi s LYS 65 N -0.78 3.88 -0.02 4.82 2.20 0.43 -4.36 119.74 125.91 1wfi s LYS 65 Ca -0.09 1.38 -0.08 0.00 -0.36 0.00 0.00 55.97 56.82 1wfi s LYS 65 Cb -0.04 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.30 1wfi s LYS 65 CO 0.02 -1.17 0.54 0.28 -0.36 0.00 0.00 175.35 174.66 1wfi h VAL 66 N 6.01 0.00 -1.53 4.02 2.07 -1.86 -3.13 116.25 121.82 1wfi h VAL 66 Ca -0.28 -0.32 0.44 0.00 0.82 0.00 0.00 66.70 67.36 1wfi h VAL 66 Cb 1.11 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1wfi h VAL 66 CO 1.02 0.00 1.27 -0.33 0.02 0.00 0.00 177.57 179.55 1wfi h GLU 67 N -0.63 0.00 -1.42 1.57 5.08 -1.94 1.71 114.58 118.96 1wfi h GLU 67 Ca -0.03 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.65 1wfi h GLU 67 Cb 0.23 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.16 1wfi h GLU 67 CO 0.05 0.00 0.44 0.39 -1.00 0.00 0.00 179.01 178.89 1wfi n GLU 68 N -3.72 2.97 -3.88 2.33 -0.58 -1.19 -4.95 120.64 111.63 1wfi n GLU 68 Ca 0.34 -3.71 -0.11 0.00 -0.42 0.00 0.00 57.16 53.27 1wfi n GLU 68 Cb 1.74 -2.27 -0.11 0.00 -0.57 0.00 0.00 31.44 30.22 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wfi s SER 69 N -2.09 0.02 0.35 1.62 0.01 0.58 -4.21 113.70 109.98 1wfi s SER 69 Ca 0.55 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.62 1wfi s SER 69 Cb 0.45 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.89 1wfi s SER 69 CO -0.18 -0.25 0.56 -0.94 0.41 0.00 0.00 173.24 172.84 1wfi s SER 70 N -0.92 0.57 0.10 2.44 1.04 -1.11 -5.00 113.70 110.82 1wfi s SER 70 Ca -0.10 -1.34 -0.17 0.00 0.48 0.00 0.00 55.95 54.82 1wfi s SER 70 Cb -0.06 0.71 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1wfi s SER 70 CO 0.01 -1.39 0.42 -1.66 0.98 0.00 0.00 173.24 171.60 1wfi s TRP 71 N -2.95 -0.25 0.18 5.02 1.48 -1.26 -0.73 118.94 120.43 1wfi s TRP 71 Ca 0.26 0.06 -0.18 0.00 -1.06 0.00 0.00 56.10 55.17 1wfi s TRP 71 Cb -0.02 0.27 0.04 0.00 -1.16 0.00 0.00 33.47 32.59 1wfi s TRP 71 CO 0.17 -0.66 0.52 -0.48 -4.06 0.00 0.00 176.95 172.44 1wfi s LEU 72 N -2.49 0.01 -0.21 -4.66 0.05 -0.43 -5.01 118.68 105.95 1wfi s LEU 72 Ca -0.00 -0.37 -0.09 0.00 0.05 0.00 0.00 54.13 53.71 1wfi s LEU 72 Cb 0.01 2.19 -0.05 0.00 -2.05 0.00 0.00 46.19 46.29 1wfi s LEU 72 CO -0.08 -1.01 0.11 -0.63 -0.55 0.00 0.00 176.35 174.18 1wfi s ILE 73 N -3.84 5.12 -0.14 1.48 1.01 -1.26 0.56 121.20 124.12 1wfi s ILE 73 Ca 0.07 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 1wfi s ILE 73 Cb -0.01 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1wfi s ILE 73 CO -0.06 0.41 0.13 -1.61 0.00 0.00 0.00 174.94 173.82 1wfi s GLU 74 N 0.64 3.66 -1.67 2.79 0.41 0.59 -4.16 118.70 120.95 1wfi s GLU 74 Ca 0.06 -0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 1wfi s GLU 74 Cb -0.12 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 1wfi s GLU 74 CO 0.01 0.63 0.00 -0.25 -0.49 0.00 0.00 175.26 175.16 1wfi n ASP 75 N 2.47 -4.63 -3.86 -0.19 8.00 -1.26 -0.38 116.55 116.70 1wfi n ASP 75 Ca -0.19 0.39 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 1wfi n ASP 75 Cb 0.54 -4.03 0.02 0.00 -0.02 0.00 0.00 41.12 37.63 1wfi n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfi n GLY 76 N -0.21 -0.36 0.45 0.44 0.00 -1.26 -4.66 105.19 99.58 1wfi n GLY 76 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.45 0.00 -3.31 1.61 2.85 -0.54 -2.00 118.16 112.32 1wfi n LYS 77 Ca -0.15 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.72 1wfi n LYS 77 Cb 0.61 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.93 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 -1.24 4.84 -0.36 0.58 1.01 0.49 -2.81 120.40 122.92 1wfi s VAL 78 Ca 0.00 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 63.03 1wfi s VAL 78 Cb 0.00 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1wfi s VAL 78 CO 0.00 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.09 1wfi s VAL 79 N -0.89 4.12 0.05 2.92 1.01 0.23 0.22 120.40 128.05 1wfi s VAL 79 Ca 0.28 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1wfi s VAL 79 Cb -0.19 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1wfi s VAL 79 CO 0.17 -0.22 0.35 0.42 0.00 0.00 0.00 175.10 175.83 1wfi s THR 80 N 1.46 5.17 -0.03 3.92 -4.23 0.19 -0.55 115.64 121.57 1wfi s THR 80 Ca -0.00 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1wfi s THR 80 Cb -0.19 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.03 1wfi s THR 80 CO 0.04 0.34 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.67 1wfi s VAL 81 N -1.34 0.91 -0.28 2.29 1.01 0.75 -1.31 120.40 122.43 1wfi s VAL 81 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1wfi s VAL 81 Cb -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.47 1wfi s VAL 81 CO 0.17 0.28 -0.04 -2.28 0.00 0.00 0.00 175.10 173.23 1wfi s HIS 82 N 0.29 3.19 -0.01 5.22 5.04 0.10 -0.97 115.29 128.14 1wfi s HIS 82 Ca -0.05 -1.81 0.01 0.00 -1.54 0.00 0.00 55.06 51.66 1wfi s HIS 82 Cb -0.10 -2.07 -0.04 0.00 0.04 0.00 0.00 32.58 30.41 1wfi s HIS 82 CO 0.01 -0.79 0.01 -0.51 -2.34 0.00 0.00 174.74 171.13 1wfi s LEU 83 N 1.26 3.57 -0.17 8.88 1.43 0.57 -2.75 118.68 131.47 1wfi s LEU 83 Ca -0.04 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1wfi s LEU 83 Cb -0.19 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1wfi s LEU 83 CO -0.03 0.29 -0.18 -0.70 0.23 0.00 0.00 176.35 175.96 1wfi s GLU 84 N -1.50 3.07 0.61 1.70 2.12 -1.26 0.77 118.70 124.21 1wfi s GLU 84 Ca 0.19 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.53 1wfi s GLU 84 Cb -0.12 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1wfi s GLU 84 CO 0.10 -0.12 1.24 0.15 -0.54 0.00 0.00 175.26 176.09 1wfi s LYS 85 N 1.09 2.83 0.16 4.30 1.02 -0.52 0.16 119.74 128.79 1wfi s LYS 85 Ca -0.00 1.91 0.09 0.00 0.02 0.00 0.00 55.97 57.99 1wfi s LYS 85 Cb -0.14 -1.90 -0.12 0.00 -0.52 0.00 0.00 37.83 35.14 1wfi s LYS 85 CO -0.07 -1.34 1.33 0.82 -0.92 0.00 0.00 175.35 175.18 1wfi h ILE 86 N 0.78 1.55 0.00 2.17 1.08 -1.86 -3.36 117.51 117.88 1wfi h ILE 86 Ca -0.51 -3.13 -0.37 0.00 -0.39 0.00 0.00 64.86 60.46 1wfi h ILE 86 Cb 1.31 2.73 -0.06 0.00 -3.07 0.00 0.00 36.82 37.72 1wfi h ILE 86 CO 0.54 0.87 -2.38 0.59 -0.69 0.00 0.00 178.15 177.09 1wfi n ASN 87 N -3.36 2.09 -2.77 1.72 4.13 -1.26 -5.00 115.26 110.81 1wfi n ASN 87 Ca 0.00 -0.06 -0.16 0.00 1.68 0.00 0.00 54.58 56.04 1wfi n ASN 87 Cb 0.88 -0.43 0.06 0.00 -1.54 0.00 0.00 39.78 38.75 1wfi n ASN 87 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wfi n LYS 88 N -3.34 -5.56 -0.77 3.52 5.02 -1.26 -4.88 118.16 110.89 1wfi n LYS 88 Ca -0.44 0.61 -0.04 0.00 -2.02 0.00 0.00 58.31 56.42 1wfi n LYS 88 Cb 0.94 -4.97 -0.04 0.00 -0.02 0.00 0.00 35.03 30.94 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 -3.65 0.00 -3.72 1.97 0.00 -0.51 -4.51 117.12 106.70 1wfi n MET 89 Ca -0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 57.70 56.93 1wfi n MET 89 Cb 0.57 0.33 -0.13 0.00 0.00 0.00 0.00 33.22 33.98 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 0.19 -0.14 3.17 2.56 -1.25 -5.08 118.70 118.14 1wfi s GLU 90 Ca 0.00 0.56 -0.08 0.00 0.00 0.00 0.00 54.97 55.45 1wfi s GLU 90 Cb 0.00 -0.11 -0.04 0.00 2.00 0.00 0.00 34.13 35.97 1wfi s GLU 90 CO 0.00 -0.18 0.14 -0.46 -0.56 0.00 0.00 175.26 174.19 1wfi s TRP 91 N 1.45 3.54 0.31 5.30 -0.11 -1.26 -4.75 118.94 123.42 1wfi s TRP 91 Ca -0.08 0.47 0.05 0.00 1.22 0.00 0.00 56.10 57.76 1wfi s TRP 91 Cb -0.11 -2.01 -0.02 0.00 -1.50 0.00 0.00 33.47 29.83 1wfi s TRP 91 CO -0.08 0.60 0.46 -1.58 -4.62 0.00 0.00 176.95 171.72 1wfi s TRP 92 N -0.59 3.28 -0.13 5.86 0.51 -1.26 -5.02 118.94 121.60 1wfi s TRP 92 Ca 0.13 -0.05 0.19 0.00 -2.12 0.00 0.00 56.10 54.25 1wfi s TRP 92 Cb -0.12 -1.87 -0.21 0.00 -0.81 0.00 0.00 33.47 30.47 1wfi s TRP 92 CO 0.02 0.13 0.55 -1.71 -0.51 0.00 0.00 176.95 175.43 1wfi n ASN 93 N -1.62 0.43 -3.68 2.95 2.85 -1.26 -4.88 115.26 110.05 1wfi n ASN 93 Ca -0.04 0.19 -0.13 0.00 -0.11 0.00 0.00 54.58 54.49 1wfi n ASN 93 Cb 0.57 0.83 -0.13 0.00 1.24 0.00 0.00 39.78 42.29 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfi s ARG 94 N -2.97 0.18 0.09 1.20 1.04 -1.26 -5.05 118.95 112.18 1wfi s ARG 94 Ca -0.06 0.73 -0.16 0.00 -1.04 0.00 0.00 55.73 55.19 1wfi s ARG 94 Cb 0.09 -0.03 -0.04 0.00 -2.04 0.00 0.00 34.95 32.94 1wfi s ARG 94 CO 0.84 -0.25 1.04 -0.11 -0.04 0.00 0.00 175.30 176.78 1wfi n LEU 95 N 5.07 -0.56 -4.79 -1.89 7.94 -1.26 -4.20 117.00 117.31 1wfi n LEU 95 Ca -0.11 1.17 -0.29 0.00 -1.11 0.00 0.00 56.01 55.67 1wfi n LEU 95 Cb 0.51 -0.23 -0.06 0.00 0.53 0.00 0.00 43.42 44.16 1wfi n LEU 95 CO 0.05 -0.88 -0.24 0.68 -1.11 0.00 0.00 177.39 175.89 1wfi s VAL 96 N -4.67 4.57 0.34 1.96 -7.23 -1.26 -1.12 120.40 112.99 1wfi s VAL 96 Ca -0.06 -0.86 0.10 0.00 -1.81 0.00 0.00 61.98 59.35 1wfi s VAL 96 Cb 0.06 -3.25 0.06 0.00 0.56 0.00 0.00 36.38 33.81 1wfi s VAL 96 CO 0.33 0.04 1.76 0.71 -0.31 0.00 0.00 175.10 177.63 1wfi h THR 97 N 2.35 1.30 -2.46 5.32 1.35 -1.05 -3.44 112.91 116.27 1wfi h THR 97 Ca -0.47 -1.43 -0.08 0.00 -0.55 0.00 0.00 66.41 63.87 1wfi h THR 97 Cb 1.18 1.72 -0.24 0.00 -1.73 0.00 0.00 68.15 69.08 1wfi h THR 97 CO 0.65 0.42 -0.15 -0.55 -0.25 0.00 0.00 175.52 175.64 1wfi s SER 98 N -6.90 -0.60 0.57 5.36 0.15 -1.26 -5.05 113.70 105.97 1wfi s SER 98 Ca -0.03 1.07 -0.05 0.00 0.70 0.00 0.00 55.95 57.64 1wfi s SER 98 Cb 0.14 1.01 0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1wfi s SER 98 CO 0.75 -0.19 0.86 -1.81 1.20 0.00 0.00 173.24 174.04 1wfi s ASP 99 N 0.90 5.61 0.00 5.45 1.11 -1.26 -4.39 116.67 124.08 1wfi s ASP 99 Ca -0.05 0.62 0.00 0.00 0.18 0.00 0.00 52.55 53.30 1wfi s ASP 99 Cb -0.05 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.29 1wfi s ASP 99 CO -0.08 -1.02 0.00 -0.81 1.18 0.00 0.00 175.17 174.45 1wfi n PRO 100 N -2.50 3.26 -0.03 8.23 -0.04 -1.24 -5.03 135.00 137.64 1wfi n PRO 100 Ca 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1wfi n PRO 100 Cb 0.58 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.00 0.31 -3.75 0.54 1.02 -1.26 -5.05 120.64 112.45 1wfi n GLU 101 Ca 0.00 0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 1wfi n GLU 101 Cb 0.00 -1.04 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.50 4.70 0.16 -3.67 1.01 -1.26 -5.03 121.20 114.61 1wfi s ILE 102 Ca -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1wfi s ILE 102 Cb 0.02 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1wfi s ILE 102 CO 0.25 -0.25 0.00 0.59 0.00 0.00 0.00 174.94 175.53 1wfi n ASN 103 N -1.51 0.18 -4.70 3.58 3.02 -1.26 -4.79 115.26 109.78 1wfi n ASN 103 Ca -0.05 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.46 1wfi n ASN 103 Cb 0.58 0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.77 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wfi s THR 104 N -2.00 1.63 0.46 3.41 -4.23 -1.26 -3.86 115.64 109.78 1wfi s THR 104 Ca 0.00 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1wfi s THR 104 Cb 0.00 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1wfi s THR 104 CO 0.00 0.00 0.06 -0.54 -0.54 0.00 0.00 174.62 173.60 1wfi s LYS 105 N -3.82 2.05 1.12 3.99 1.02 -1.26 -5.04 119.74 117.80 1wfi s LYS 105 Ca 0.22 -2.28 -0.18 0.00 0.02 0.00 0.00 55.97 53.76 1wfi s LYS 105 Cb 0.05 -1.10 0.15 0.00 -0.52 0.00 0.00 37.83 36.42 1wfi s LYS 105 CO 0.12 -0.40 0.18 1.63 -0.92 0.00 0.00 175.35 175.96 1wfi n LYS 106 N -1.08 -2.14 0.33 1.68 4.76 -1.26 -4.92 118.16 115.55 1wfi n LYS 106 Ca -0.12 -0.62 -0.13 0.00 -2.87 0.00 0.00 58.31 54.57 1wfi n LYS 106 Cb 0.66 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 1wfi n LYS 106 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1wfi h ILE 107 N -2.42 0.00 -1.58 -0.18 5.03 -2.00 -3.48 117.51 112.88 1wfi h ILE 107 Ca -0.43 -0.06 0.11 0.00 -0.12 0.00 0.00 64.86 64.36 1wfi h ILE 107 Cb 1.16 0.00 -0.22 0.00 -3.03 0.00 0.00 36.82 34.73 1wfi h ILE 107 CO 0.30 0.00 0.59 0.20 -0.68 0.00 0.00 178.15 178.56 1wfi s ASN 108 N -3.48 -0.33 0.00 1.72 -0.87 -1.26 -5.02 114.94 105.69 1wfi s ASN 108 Ca -0.13 0.31 -0.03 0.00 -1.57 0.00 0.00 52.86 51.44 1wfi s ASN 108 Cb 0.01 0.28 -0.14 0.00 -0.02 0.00 0.00 41.25 41.38 1wfi s ASN 108 CO 0.38 -0.34 2.43 -0.81 -2.57 0.00 0.00 177.10 176.19 1wfi n PRO 109 N 0.57 1.27 -3.15 -0.60 -0.04 -1.26 -4.50 135.00 127.28 1wfi n PRO 109 Ca -0.09 -0.52 0.04 0.00 -0.04 0.00 0.00 63.50 62.90 1wfi n PRO 109 Cb 0.58 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1wfi n PRO 109 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wfi s GLU 110 N 1.18 0.56 -0.02 0.54 2.56 -1.26 -5.16 118.70 117.10 1wfi s GLU 110 Ca 0.35 0.88 -0.30 0.00 0.00 0.00 0.00 54.97 55.90 1wfi s GLU 110 Cb 0.17 0.48 0.11 0.00 2.00 0.00 0.00 34.13 36.88 1wfi s GLU 110 CO 0.00 -0.71 1.16 1.21 -0.56 0.00 0.00 175.26 176.36 1wfi s ASN 111 N 2.86 -0.13 -0.33 -1.70 2.47 -1.26 -5.11 114.94 111.74 1wfi s ASN 111 Ca 0.18 -0.15 -0.41 0.00 0.42 0.00 0.00 52.86 52.90 1wfi s ASN 111 Cb -0.14 0.25 -0.16 0.00 -1.45 0.00 0.00 41.25 39.75 1wfi s ASN 111 CO -0.22 -0.44 1.78 -1.20 -3.72 0.00 0.00 177.10 173.30 1wfi n SER 112 N -0.37 2.16 -3.56 -4.21 7.64 -1.26 -4.89 113.62 109.13 1wfi n SER 112 Ca -0.06 1.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.77 1wfi n SER 112 Cb 0.61 -1.10 -0.01 0.00 -1.01 0.00 0.00 64.21 62.70 1wfi n SER 112 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wfi s LYS 113 N 3.79 1.91 -0.18 1.43 1.02 -1.26 -5.03 119.74 121.43 1wfi s LYS 113 Ca 1.01 -1.18 0.16 0.00 0.02 0.00 0.00 55.97 55.98 1wfi s LYS 113 Cb -1.13 0.60 0.74 0.00 -0.52 0.00 0.00 37.83 37.52 1wfi s LYS 113 CO 0.67 -0.88 1.66 -0.11 -0.92 0.00 0.00 175.35 175.77 1wfi n LEU 114 N -0.48 5.10 -3.63 3.17 7.94 -1.26 -4.63 117.00 123.22 1wfi n LEU 114 Ca -0.05 -2.74 -0.27 0.00 -1.11 0.00 0.00 56.01 51.84 1wfi n LEU 114 Cb 0.60 -0.62 -0.10 0.00 0.53 0.00 0.00 43.42 43.82 1wfi n LEU 114 CO 0.20 0.71 -0.11 -1.20 -1.11 0.00 0.00 177.39 175.88 1wfi n SER 115 N 0.68 2.04 -3.84 1.96 7.64 -1.26 -5.00 113.62 115.84 1wfi n SER 115 Ca 0.26 -3.00 -0.29 0.00 1.01 0.00 0.00 58.87 56.84 1wfi n SER 115 Cb 1.03 -0.68 -0.13 0.00 -1.01 0.00 0.00 64.21 63.42 1wfi n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfi s ASP 116 N -1.25 4.06 0.25 6.43 2.15 -1.26 -5.09 116.67 121.95 1wfi s ASP 116 Ca 0.31 -3.03 0.06 0.00 0.43 0.00 0.00 52.55 50.32 1wfi s ASP 116 Cb 0.03 -1.39 -0.03 0.00 -0.30 0.00 0.00 42.92 41.23 1wfi s ASP 116 CO -0.14 -0.22 0.28 -1.48 -0.17 0.00 0.00 175.17 173.44 1wfi s LEU 117 N -0.26 4.04 -0.12 -1.34 2.34 -1.26 -5.08 118.68 116.99 1wfi s LEU 117 Ca 0.19 -0.12 -0.24 0.00 0.06 0.00 0.00 54.13 54.03 1wfi s LEU 117 Cb -0.21 -2.58 -0.03 0.00 -0.56 0.00 0.00 46.19 42.81 1wfi s LEU 117 CO -0.03 -0.08 0.73 -1.81 -1.06 0.00 0.00 176.35 174.10 1wfi s ASP 118 N -3.92 6.92 -0.09 1.48 1.01 -1.26 -4.91 116.67 115.91 1wfi s ASP 118 Ca 0.34 1.12 0.13 0.00 0.71 0.00 0.00 52.55 54.85 1wfi s ASP 118 Cb -0.08 -2.42 -0.18 0.00 1.01 0.00 0.00 42.92 41.25 1wfi s ASP 118 CO 0.27 -0.24 0.14 -1.54 0.21 0.00 0.00 175.17 174.01 1wfi n SER 119 N 4.50 1.79 0.00 0.27 3.41 -1.26 -5.04 113.62 117.29 1wfi n SER 119 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1wfi n SER 119 Cb 0.50 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1wfi n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wfi n GLU 120 N -2.30 1.37 -3.80 4.33 1.02 -1.26 -5.19 120.64 114.80 1wfi n GLU 120 Ca -0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.94 1wfi n GLU 120 Cb 0.72 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.12 1wfi n GLU 120 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1wfi s THR 121 N 2.35 0.00 0.32 2.62 -1.32 -1.26 -5.17 115.64 113.18 1wfi s THR 121 Ca 0.00 -0.83 -0.13 0.00 -1.21 0.00 0.00 61.69 59.53 1wfi s THR 121 Cb 0.00 -1.98 -0.08 0.00 -1.51 0.00 0.00 72.50 68.93 1wfi s THR 121 CO 0.00 0.00 0.69 -0.60 -2.21 0.00 0.00 174.62 172.50 1wfi s ARG 122 N -3.62 3.90 0.16 7.08 3.52 -1.26 -5.09 118.95 123.64 1wfi s ARG 122 Ca 0.11 0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1wfi s ARG 122 Cb -0.04 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1wfi s ARG 122 CO 0.04 0.16 0.12 -1.12 -0.81 0.00 0.00 175.30 173.70 1wfi s SER 123 N -2.49 0.22 0.16 -2.12 0.01 -1.26 -5.18 113.70 103.03 1wfi s SER 123 Ca 0.52 -1.19 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1wfi s SER 123 Cb -0.10 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 1wfi s SER 123 CO 0.21 -0.80 0.07 -0.04 0.41 0.00 0.00 173.24 173.10 1wfi s MET 124 N -4.06 1.03 -0.22 12.44 -1.94 -1.26 -5.15 119.30 120.14 1wfi s MET 124 Ca 0.27 -1.51 -0.05 0.00 -1.71 0.00 0.00 55.69 52.69 1wfi s MET 124 Cb 0.06 0.17 0.12 0.00 2.01 0.00 0.00 34.83 37.19 1wfi s MET 124 CO 0.04 -0.28 0.41 0.08 -0.01 0.00 0.00 175.02 175.26 1wfi s VAL 125 N -4.02 -0.64 -0.30 -6.03 1.01 -1.26 -5.11 120.40 104.05 1wfi s VAL 125 Ca 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1wfi s VAL 125 Cb 0.07 -0.75 0.19 0.00 0.00 0.00 0.00 36.38 35.90 1wfi s VAL 125 CO 0.05 -0.02 0.77 -0.94 0.00 0.00 0.00 175.10 174.96 1wfi s SER 126 N 2.59 -1.16 -0.46 3.32 1.04 -1.26 -5.10 113.70 112.67 1wfi s SER 126 Ca 0.06 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.60 1wfi s SER 126 Cb -0.14 1.71 0.16 0.00 0.10 0.00 0.00 66.02 67.85 1wfi s SER 126 CO -0.14 -0.20 0.32 -0.83 0.98 0.00 0.00 173.24 173.36 1wfi s GLY 127 N 2.80 1.60 0.05 7.32 0.00 -1.26 -5.11 107.32 112.72 1wfi s GLY 127 Ca 0.17 -2.66 -0.30 0.00 0.00 0.00 0.00 44.72 41.93 1wfi s GLY 127 CO -0.24 1.76 1.17 2.56 0.00 0.00 0.00 173.10 178.36 1wfi s PRO 128 N 0.02 4.44 0.22 2.90 0.04 -1.26 -4.97 135.00 136.40 1wfi s PRO 128 Ca 0.25 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.69 1wfi s PRO 128 Cb -0.10 -3.37 -0.12 0.00 0.04 0.00 0.00 34.50 30.95 1wfi s PRO 128 CO -0.10 -0.24 1.70 0.45 0.04 0.00 0.00 177.00 178.85 1wfi s SER 129 N 1.08 6.38 0.21 6.66 0.15 -1.26 -4.98 113.70 121.93 1wfi s SER 129 Ca 0.58 2.89 -0.04 0.00 0.70 0.00 0.00 55.95 60.08 1wfi s SER 129 Cb -0.28 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.39 1wfi s SER 129 CO 0.29 -0.96 0.21 -0.94 1.20 0.00 0.00 173.24 173.03 1wfi s SER 130 N 1.05 0.10 0.00 5.45 1.04 -1.26 -5.35 113.70 114.73 1wfi s SER 130 Ca 0.73 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1wfi s SER 130 Cb -0.49 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1wfi s SER 130 CO 0.35 -0.91 0.47 0.61 0.98 0.00 0.00 173.24 174.74