#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 5.88 0.12 1.61 0.01 -1.26 -5.03 113.70 115.03 1wfi s SER 2 Ca 0.00 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wfi s SER 2 Cb 0.00 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1wfi s SER 2 CO 0.00 -0.84 0.00 -0.24 0.41 0.00 0.00 173.24 172.57 1wfi n SER 3 N -2.40 0.66 0.00 2.44 2.88 -1.26 -5.15 113.62 110.79 1wfi n SER 3 Ca 0.03 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1wfi n SER 3 Cb 0.57 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1wfi n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfi n GLY 4 N 2.96 3.82 3.23 0.46 0.00 -1.26 -5.18 105.19 109.22 1wfi n GLY 4 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1wfi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfi s SER 5 N 0.00 -0.00 0.43 1.61 0.01 -1.26 -5.05 113.70 109.44 1wfi s SER 5 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1wfi s SER 5 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wfi s SER 5 CO 0.00 -0.70 0.00 -1.20 0.41 0.00 0.00 173.24 171.75 1wfi n SER 6 N 0.17 -6.29 0.00 2.44 7.64 -1.26 -5.05 113.62 111.27 1wfi n SER 6 Ca -0.17 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1wfi n SER 6 Cb 0.61 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 1wfi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfi n GLY 7 N -2.15 2.86 0.00 0.23 0.00 -1.26 -4.81 105.19 100.05 1wfi n GLY 7 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.59 0.47 0.00 1.61 -0.04 -1.26 -4.55 135.00 129.63 1wfi n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wfi n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -1.05 0.00 -4.83 3.54 4.13 -1.26 -3.50 115.26 112.28 1wfi n ASN 9 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 1wfi n ASN 9 Cb 0.00 0.05 0.02 0.00 -1.54 0.00 0.00 39.78 38.31 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1wfi s TYR 10 N -1.68 3.27 0.14 3.10 -0.85 -1.26 -4.88 117.35 115.19 1wfi s TYR 10 Ca 0.00 1.40 -0.00 0.00 -0.52 0.00 0.00 57.07 57.95 1wfi s TYR 10 Cb 0.00 -2.84 -0.04 0.00 0.38 0.00 0.00 41.96 39.45 1wfi s TYR 10 CO 0.00 -0.98 0.31 -0.98 -1.52 0.00 0.00 175.55 172.38 1wfi s ARG 11 N -4.85 3.49 -0.15 -3.49 1.70 -0.89 -4.99 118.95 109.77 1wfi s ARG 11 Ca 0.58 -0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 1wfi s ARG 11 Cb -0.13 -2.93 0.12 0.00 -0.57 0.00 0.00 34.95 31.43 1wfi s ARG 11 CO 0.50 0.50 0.96 1.67 -1.08 0.00 0.00 175.30 177.85 1wfi s TRP 12 N -1.70 -0.41 0.00 5.89 1.48 -1.26 -0.55 118.94 122.39 1wfi s TRP 12 Ca 0.37 0.70 0.00 0.00 -1.06 0.00 0.00 56.10 56.11 1wfi s TRP 12 Cb -0.12 0.44 0.00 0.00 -1.16 0.00 0.00 33.47 32.64 1wfi s TRP 12 CO 0.28 -0.38 0.00 0.25 -4.06 0.00 0.00 176.95 173.04 1wfi n THR 13 N 0.76 0.00 -3.64 0.66 -2.24 0.31 -4.95 114.28 105.17 1wfi n THR 13 Ca -0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 1wfi n THR 13 Cb 0.58 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.73 0.04 -0.53 -0.78 -2.07 -1.26 -0.64 119.66 112.70 1wfi s GLN 14 Ca 0.00 -0.01 0.07 0.00 -1.82 0.00 0.00 55.36 53.60 1wfi s GLN 14 Cb 0.00 0.02 0.35 0.00 -1.09 0.00 0.00 33.01 32.29 1wfi s GLN 14 CO 0.00 -0.02 0.91 -2.37 -1.32 0.00 0.00 175.29 172.49 1wfi n THR 15 N 0.22 2.34 -2.50 3.63 5.66 -0.38 -4.88 114.28 118.37 1wfi n THR 15 Ca 0.03 -5.33 -0.00 0.00 -3.05 0.00 0.00 64.05 55.70 1wfi n THR 15 Cb 0.57 -1.13 -0.00 0.00 -1.55 0.00 0.00 70.33 68.22 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 -0.14 -0.04 0.02 1.09 7.99 -1.26 -4.03 117.00 120.62 1wfi n LEU 16 Ca 0.30 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.79 1wfi n LEU 16 Cb 0.46 -1.04 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1wfi n LEU 16 CO 0.31 -0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.19 1wfi n ALA 17 N -2.49 0.00 -2.65 -1.18 0.00 -1.26 -4.07 120.51 108.86 1wfi n ALA 17 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1wfi n ALA 17 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.07 3.41 -0.02 0.00 2.02 -1.26 -3.21 118.70 118.57 1wfi s GLU 18 Ca 0.00 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.59 1wfi s GLU 18 Cb 0.00 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 1wfi s GLU 18 CO 0.00 0.13 -0.16 -0.51 0.02 0.00 0.00 175.26 174.74 1wfi s LEU 19 N -4.30 1.97 -0.04 1.80 1.43 -1.03 -1.25 118.68 117.25 1wfi s LEU 19 Ca 0.40 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 1wfi s LEU 19 Cb -0.10 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 1wfi s LEU 19 CO 0.35 0.17 -0.22 -1.81 0.23 0.00 0.00 176.35 175.07 1wfi s ASP 20 N -0.19 2.65 0.01 2.29 1.11 0.19 -1.49 116.67 121.25 1wfi s ASP 20 Ca 0.02 -0.43 0.02 0.00 0.18 0.00 0.00 52.55 52.34 1wfi s ASP 20 Cb -0.08 -0.61 -0.01 0.00 1.07 0.00 0.00 42.92 43.29 1wfi s ASP 20 CO 0.00 0.22 -0.06 -0.22 1.18 0.00 0.00 175.17 176.29 1wfi s LEU 21 N -0.20 2.11 -0.09 1.23 1.98 0.21 0.11 118.68 124.02 1wfi s LEU 21 Ca -0.00 -0.28 -0.04 0.00 -2.89 0.00 0.00 54.13 50.91 1wfi s LEU 21 Cb -0.12 -0.23 0.04 0.00 0.66 0.00 0.00 46.19 46.54 1wfi s LEU 21 CO 0.02 -0.04 0.21 0.00 -1.89 0.00 0.00 176.35 174.65 1wfi s ALA 22 N -0.63 -0.46 -0.29 5.97 0.00 0.29 0.10 121.76 126.74 1wfi s ALA 22 Ca -0.03 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1wfi s ALA 22 Cb -0.05 -0.57 0.09 0.00 0.00 0.00 0.00 23.12 22.59 1wfi s ALA 22 CO 0.00 -0.18 0.08 0.08 0.00 0.00 0.00 175.76 175.74 1wfi s VAL 23 N 1.21 0.87 0.47 0.00 1.01 0.27 -2.11 120.40 122.12 1wfi s VAL 23 Ca -0.09 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 60.42 1wfi s VAL 23 Cb -0.11 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 1wfi s VAL 23 CO -0.07 -0.57 1.04 -2.16 0.00 0.00 0.00 175.10 173.34 1wfi s PRO 24 N 1.64 3.88 -0.01 2.72 0.04 -1.26 0.15 135.00 142.15 1wfi s PRO 24 Ca 0.07 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.55 1wfi s PRO 24 Cb -0.17 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1wfi s PRO 24 CO -0.21 -0.37 -0.12 -0.06 0.04 0.00 0.00 177.00 176.28 1wfi s PHE 25 N -1.90 1.11 -1.26 0.56 0.08 -0.56 -4.91 117.98 111.11 1wfi s PHE 25 Ca 0.65 -0.23 -0.18 0.00 0.12 0.00 0.00 56.93 57.30 1wfi s PHE 25 Cb -0.18 -0.73 0.09 0.00 -0.57 0.00 0.00 43.02 41.63 1wfi s PHE 25 CO 0.22 -0.04 1.65 1.03 -0.10 0.00 0.00 175.22 177.98 1wfi s ARG 26 N -0.19 3.97 0.35 0.44 1.81 -1.26 -4.76 118.95 119.31 1wfi s ARG 26 Ca 0.03 -2.04 0.09 0.00 -1.72 0.00 0.00 55.73 52.09 1wfi s ARG 26 Cb -0.06 -5.43 -0.07 0.00 -0.45 0.00 0.00 34.95 28.95 1wfi s ARG 26 CO -0.00 -2.16 -0.08 0.14 -0.68 0.00 0.00 175.30 172.52 1wfi s VAL 27 N 3.77 2.19 -0.68 3.52 -7.23 -1.26 -5.04 120.40 115.67 1wfi s VAL 27 Ca 0.51 -2.17 0.09 0.00 -1.81 0.00 0.00 61.98 58.59 1wfi s VAL 27 Cb 0.02 -2.69 0.25 0.00 0.56 0.00 0.00 36.38 34.52 1wfi s VAL 27 CO 0.05 -0.17 1.21 -1.20 -0.31 0.00 0.00 175.10 174.68 1wfi n SER 28 N -0.81 2.78 -4.00 4.85 7.64 -1.26 -5.01 113.62 117.80 1wfi n SER 28 Ca -0.05 -2.07 -0.13 0.00 1.01 0.00 0.00 58.87 57.63 1wfi n SER 28 Cb 0.64 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.12 1.24 -0.92 1.43 -0.12 -1.26 -5.09 117.98 112.13 1wfi s PHE 29 Ca 0.20 -1.40 -0.23 0.00 -0.05 0.00 0.00 56.93 55.44 1wfi s PHE 29 Cb 0.11 -0.54 0.06 0.00 -0.63 0.00 0.00 43.02 42.02 1wfi s PHE 29 CO 0.12 -0.71 1.32 1.03 -0.05 0.00 0.00 175.22 176.92 1wfi s ARG 30 N -3.99 3.48 -0.14 1.99 3.00 -1.26 -4.71 118.95 117.33 1wfi s ARG 30 Ca 0.38 -1.06 -0.41 0.00 0.00 0.00 0.00 55.73 54.64 1wfi s ARG 30 Cb 0.06 -4.97 -0.19 0.00 0.00 0.00 0.00 34.95 29.84 1wfi s ARG 30 CO 0.15 -2.08 1.30 1.28 0.00 0.00 0.00 175.30 175.95 1wfi n LEU 31 N 8.43 0.75 -4.93 2.53 4.77 -1.13 -4.92 117.00 122.50 1wfi n LEU 31 Ca 0.23 1.15 -0.25 0.00 -0.03 0.00 0.00 56.01 57.11 1wfi n LEU 31 Cb 0.50 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1wfi n LEU 31 CO 0.64 -1.39 0.51 -0.54 -1.33 0.00 0.00 177.39 175.29 1wfi s LYS 32 N 1.13 2.63 0.00 3.23 1.02 -1.26 -4.80 119.74 121.68 1wfi s LYS 32 Ca 0.94 -0.25 0.19 0.00 0.02 0.00 0.00 55.97 56.87 1wfi s LYS 32 Cb -1.26 -2.30 1.11 0.00 -0.52 0.00 0.00 37.83 34.86 1wfi s LYS 32 CO 0.63 -0.85 1.60 0.41 -0.92 0.00 0.00 175.35 176.22 1wfi n GLY 33 N -2.62 -0.82 0.16 -3.33 0.00 -1.26 -1.97 105.19 95.34 1wfi n GLY 33 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.85 0.76 -0.11 1.61 2.85 -1.26 -4.44 118.16 116.72 1wfi n LYS 34 Ca 0.14 -1.06 0.06 0.00 -1.05 0.00 0.00 58.31 56.40 1wfi n LYS 34 Cb 0.06 -1.07 0.12 0.00 -0.65 0.00 0.00 35.03 33.49 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 0.05 2.58 -4.41 -5.58 9.92 -0.83 -4.93 116.55 113.34 1wfi n ASP 35 Ca 0.03 -1.79 -0.20 0.00 -0.53 0.00 0.00 54.79 52.30 1wfi n ASP 35 Cb 0.16 -0.14 -0.10 0.00 -0.64 0.00 0.00 41.12 40.40 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wfi s VAL 36 N -1.01 1.33 -0.29 2.53 0.11 -1.24 -2.62 120.40 119.21 1wfi s VAL 36 Ca 0.20 -2.06 -0.03 0.00 -2.93 0.00 0.00 61.98 57.17 1wfi s VAL 36 Cb 0.12 -2.53 0.10 0.00 -1.53 0.00 0.00 36.38 32.53 1wfi s VAL 36 CO 0.16 -0.21 0.11 -0.69 -3.33 0.00 0.00 175.10 171.14 1wfi s VAL 37 N -3.22 0.30 -0.31 2.04 1.01 0.17 -4.54 120.40 115.86 1wfi s VAL 37 Ca 0.31 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1wfi s VAL 37 Cb 0.06 -1.21 0.08 0.00 0.00 0.00 0.00 36.38 35.31 1wfi s VAL 37 CO 0.12 -0.66 -0.01 -0.69 0.00 0.00 0.00 175.10 173.86 1wfi s VAL 38 N 1.91 2.26 -0.81 2.92 1.01 -1.25 -1.24 120.40 125.21 1wfi s VAL 38 Ca 0.08 -2.07 0.02 0.00 0.00 0.00 0.00 61.98 60.01 1wfi s VAL 38 Cb -0.16 -2.54 0.22 0.00 0.00 0.00 0.00 36.38 33.89 1wfi s VAL 38 CO -0.30 -0.38 0.75 0.47 0.00 0.00 0.00 175.10 175.64 1wfi n ASP 39 N 4.33 3.96 -4.58 3.32 8.00 0.33 -4.98 116.55 126.91 1wfi n ASP 39 Ca -0.03 -3.24 -0.41 0.00 0.71 0.00 0.00 54.79 51.81 1wfi n ASP 39 Cb 0.42 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 1wfi n ASP 39 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wfi s ILE 40 N -1.75 3.44 0.34 0.53 1.01 -1.26 -2.32 121.20 121.18 1wfi s ILE 40 Ca 0.30 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 1wfi s ILE 40 Cb -0.01 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1wfi s ILE 40 CO -0.10 -0.54 0.60 -1.58 0.00 0.00 0.00 174.94 173.32 1wfi s GLN 41 N 6.12 3.58 0.14 2.79 0.74 0.63 -4.82 119.66 128.83 1wfi s GLN 41 Ca 0.77 -0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.94 1wfi s GLN 41 Cb -0.19 -2.60 -0.00 0.00 1.10 0.00 0.00 33.01 31.32 1wfi s GLN 41 CO 0.30 0.12 1.70 -0.09 -0.55 0.00 0.00 175.29 176.77 1wfi h ARG 42 N 1.15 0.02 -0.22 1.67 9.65 -1.94 -2.81 114.38 121.90 1wfi h ARG 42 Ca -0.48 -0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.27 1wfi h ARG 42 Cb 1.20 -0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.69 1wfi h ARG 42 CO 0.64 0.01 -0.35 -2.13 2.80 0.00 0.00 179.97 180.94 1wfi n ARG 43 N -5.20 1.88 -3.52 0.20 0.63 -1.26 -0.52 116.66 108.87 1wfi n ARG 43 Ca -0.01 -3.35 -0.08 0.00 -0.92 0.00 0.00 57.85 53.49 1wfi n ARG 43 Cb 0.14 -1.77 -0.02 0.00 0.45 0.00 0.00 32.46 31.26 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 -3.29 -0.32 -0.07 -0.14 2.46 -1.06 -1.70 115.29 111.18 1wfi s HIS 44 Ca 0.42 0.19 -0.03 0.00 0.47 0.00 0.00 55.06 56.11 1wfi s HIS 44 Cb 0.39 0.54 0.04 0.00 -0.13 0.00 0.00 32.58 33.42 1wfi s HIS 44 CO -0.03 -0.51 0.15 -1.17 -2.47 0.00 0.00 174.74 170.70 1wfi s LEU 45 N -2.46 0.72 -0.25 8.88 0.20 -1.23 0.23 118.68 124.77 1wfi s LEU 45 Ca 0.06 0.31 -0.01 0.00 0.69 0.00 0.00 54.13 55.17 1wfi s LEU 45 Cb -0.01 0.39 0.08 0.00 -0.43 0.00 0.00 46.19 46.21 1wfi s LEU 45 CO -0.08 -0.15 0.05 -0.60 -0.29 0.00 0.00 176.35 175.28 1wfi s ARG 46 N 1.15 0.83 0.07 1.98 3.52 -0.98 -2.89 118.95 122.63 1wfi s ARG 46 Ca -0.09 -0.81 0.08 0.00 -0.13 0.00 0.00 55.73 54.78 1wfi s ARG 46 Cb -0.11 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 1wfi s ARG 46 CO -0.06 -0.79 -0.20 0.08 -0.81 0.00 0.00 175.30 173.51 1wfi s VAL 47 N 1.68 1.67 -3.12 7.11 1.01 -0.27 0.12 120.40 128.59 1wfi s VAL 47 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1wfi s VAL 47 Cb -0.17 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1wfi s VAL 47 CO -0.16 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1wfi n GLY 48 N 1.44 -1.60 3.56 4.51 0.00 -0.37 -0.51 105.19 112.22 1wfi n GLY 48 Ca -0.18 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 3.48 -0.17 0.99 1.43 -1.26 0.45 118.68 123.60 1wfi s LEU 49 Ca 0.00 -0.04 -0.41 0.00 -1.03 0.00 0.00 54.13 52.65 1wfi s LEU 49 Cb 0.00 -1.85 -0.19 0.00 0.03 0.00 0.00 46.19 44.17 1wfi s LEU 49 CO 0.00 0.18 1.22 1.17 0.23 0.00 0.00 176.35 179.15 1wfi n LYS 50 N 3.51 0.00 0.00 1.70 4.81 -1.08 0.19 118.16 127.29 1wfi n LYS 50 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1wfi n LYS 50 Cb 0.52 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.12 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 2.33 1.71 3.83 3.14 0.00 -1.26 -4.98 105.19 109.96 1wfi n GLY 51 Ca 0.23 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 1.59 0.29 1.61 -0.21 0.50 -5.02 119.66 118.41 1wfi s GLN 52 Ca 0.00 0.26 -0.29 0.00 0.02 0.00 0.00 55.36 55.35 1wfi s GLN 52 Cb 0.00 -1.89 -0.09 0.00 1.00 0.00 0.00 33.01 32.02 1wfi s GLN 52 CO 0.00 -1.88 1.08 -1.25 -2.12 0.00 0.00 175.29 171.11 1wfi s PRO 53 N -5.38 4.62 -0.42 2.91 0.04 -1.26 -4.39 135.00 131.13 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 -0.13 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1wfi s PRO 53 CO 0.52 0.22 1.41 -1.25 0.04 0.00 0.00 177.00 177.93 1wfi s PRO 54 N -1.51 3.57 0.29 0.56 0.04 -1.26 -4.26 135.00 132.44 1wfi s PRO 54 Ca 0.45 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1wfi s PRO 54 Cb -0.30 -4.03 0.58 0.00 0.04 0.00 0.00 34.50 30.79 1wfi s PRO 54 CO 0.39 -1.57 1.85 0.28 0.04 0.00 0.00 177.00 177.98 1wfi h VAL 55 N 6.47 0.93 -3.41 -0.36 2.07 -1.17 -3.38 116.25 117.40 1wfi h VAL 55 Ca -0.27 -0.33 -0.64 0.00 0.82 0.00 0.00 66.70 66.28 1wfi h VAL 55 Cb 1.10 -0.12 -0.21 0.00 -1.52 0.00 0.00 31.29 30.54 1wfi h VAL 55 CO 1.09 0.18 -0.64 -0.69 0.02 0.00 0.00 177.57 177.52 1wfi s VAL 56 N -5.92 4.11 -0.30 2.57 1.01 -0.91 -4.96 120.40 116.02 1wfi s VAL 56 Ca -0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1wfi s VAL 56 Cb 0.22 -2.85 0.18 0.00 0.00 0.00 0.00 36.38 33.93 1wfi s VAL 56 CO 0.81 0.44 0.94 -0.62 0.00 0.00 0.00 175.10 176.66 1wfi s ASP 57 N 0.83 -0.70 0.00 3.32 2.15 -1.14 -1.12 116.67 120.01 1wfi s ASP 57 Ca 0.01 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1wfi s ASP 57 Cb -0.14 1.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.98 1wfi s ASP 57 CO 0.02 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1wfi n GLY 58 N 5.32 2.51 3.68 2.66 0.00 -1.21 -4.13 105.19 114.03 1wfi n GLY 58 Ca 0.02 -0.16 -0.54 0.00 0.00 0.00 0.00 46.02 45.34 1wfi n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wfi n GLU 59 N -0.50 1.49 -0.97 1.61 2.13 -1.26 -3.53 120.64 119.61 1wfi n GLU 59 Ca 0.00 0.54 -0.33 0.00 0.66 0.00 0.00 57.16 58.03 1wfi n GLU 59 Cb 0.00 -2.27 0.13 0.00 0.27 0.00 0.00 31.44 29.57 1wfi n GLU 59 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wfi n LEU 60 N 5.21 3.34 -0.08 4.31 4.77 -0.69 -1.93 117.00 131.94 1wfi n LEU 60 Ca 0.24 0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 56.69 1wfi n LEU 60 Cb 0.19 -1.44 0.17 0.00 -2.33 0.00 0.00 43.42 40.01 1wfi n LEU 60 CO 0.75 -2.15 0.85 0.22 -1.33 0.00 0.00 177.39 175.74 1wfi h TYR 61 N -1.19 0.78 -2.61 -1.77 5.03 -1.09 -3.43 116.97 112.68 1wfi h TYR 61 Ca -0.45 -0.12 -0.09 0.00 2.58 0.00 0.00 58.73 60.65 1wfi h TYR 61 Cb 1.29 -0.21 -0.19 0.00 1.55 0.00 0.00 36.73 39.17 1wfi h TYR 61 CO 0.45 0.76 -0.07 1.21 -1.32 0.00 0.00 178.16 179.18 1wfi s ASN 62 N -6.68 -0.39 0.22 -2.11 3.84 -1.26 -5.04 114.94 103.52 1wfi s ASN 62 Ca -0.09 0.34 -0.31 0.00 0.21 0.00 0.00 52.86 53.01 1wfi s ASN 62 Cb 0.14 0.41 -0.15 0.00 -0.55 0.00 0.00 41.25 41.11 1wfi s ASN 62 CO 0.81 -0.53 1.18 -0.62 -2.79 0.00 0.00 177.10 175.15 1wfi n GLU 63 N 1.07 1.44 -4.60 0.43 1.02 -1.26 -4.81 120.64 113.93 1wfi n GLU 63 Ca -0.20 0.51 -0.22 0.00 -0.02 0.00 0.00 57.16 57.22 1wfi n GLU 63 Cb 0.57 -2.01 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 1wfi n GLU 63 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wfi s VAL 64 N -0.40 1.17 -0.76 2.62 -7.23 0.32 -2.76 120.40 113.35 1wfi s VAL 64 Ca 0.68 -0.73 -0.25 0.00 -1.81 0.00 0.00 61.98 59.86 1wfi s VAL 64 Cb -0.76 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 1wfi s VAL 64 CO 0.54 0.25 2.05 -0.75 -0.31 0.00 0.00 175.10 176.88 1wfi s LYS 65 N -0.56 2.36 0.19 4.82 2.20 0.25 -4.40 119.74 124.60 1wfi s LYS 65 Ca 0.05 0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.88 1wfi s LYS 65 Cb -0.06 -4.78 0.12 0.00 -1.51 0.00 0.00 37.83 31.60 1wfi s LYS 65 CO -0.00 -3.38 1.55 -0.39 -0.36 0.00 0.00 175.35 172.77 1wfi h VAL 66 N 7.28 1.29 -0.19 4.02 -1.51 -1.87 -1.36 116.25 123.90 1wfi h VAL 66 Ca -0.05 -1.58 0.06 0.00 -1.23 0.00 0.00 66.70 63.90 1wfi h VAL 66 Cb 1.07 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 1wfi h VAL 66 CO 1.17 0.51 0.49 -0.33 -1.23 0.00 0.00 177.57 178.18 1wfi h GLU 67 N 0.57 0.00 0.00 5.19 5.08 -1.92 0.58 114.58 124.07 1wfi h GLU 67 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1wfi h GLU 67 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1wfi h GLU 67 CO 0.09 0.00 -1.76 0.39 -1.00 0.00 0.00 179.01 176.72 1wfi n GLU 68 N -3.13 0.78 -1.61 2.33 1.02 -0.97 -5.00 120.64 114.05 1wfi n GLU 68 Ca 0.03 -0.10 -0.39 0.00 -0.02 0.00 0.00 57.16 56.67 1wfi n GLU 68 Cb 0.59 -1.36 0.04 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.15 0.98 -3.72 1.62 7.64 0.20 -4.96 113.62 113.23 1wfi n SER 69 Ca -0.08 0.89 -0.13 0.00 1.01 0.00 0.00 58.87 60.56 1wfi n SER 69 Cb 0.54 -1.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.26 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 -1.04 -0.47 0.33 6.43 1.04 -0.95 -4.97 113.70 114.08 1wfi s SER 70 Ca 0.71 0.88 0.05 0.00 0.48 0.00 0.00 55.95 58.07 1wfi s SER 70 Cb -0.46 0.88 -0.07 0.00 0.10 0.00 0.00 66.02 66.47 1wfi s SER 70 CO 0.51 -0.16 0.01 -1.66 0.98 0.00 0.00 173.24 172.93 1wfi s TRP 71 N 0.38 2.10 -0.22 5.02 1.48 -1.26 0.32 118.94 126.76 1wfi s TRP 71 Ca -0.01 -0.82 -0.31 0.00 -1.06 0.00 0.00 56.10 53.90 1wfi s TRP 71 Cb -0.04 -1.36 0.16 0.00 -1.16 0.00 0.00 33.47 31.07 1wfi s TRP 71 CO -0.01 0.19 1.21 -0.48 -4.06 0.00 0.00 176.95 173.80 1wfi s LEU 72 N -3.53 -0.16 -0.49 -4.66 0.05 0.56 -4.96 118.68 105.49 1wfi s LEU 72 Ca 0.34 0.12 -0.19 0.00 0.05 0.00 0.00 54.13 54.45 1wfi s LEU 72 Cb 0.08 1.40 0.05 0.00 -2.05 0.00 0.00 46.19 45.66 1wfi s LEU 72 CO 0.15 -0.19 0.62 -0.63 -0.55 0.00 0.00 176.35 175.75 1wfi s ILE 73 N -1.54 4.87 0.21 1.48 1.01 -1.26 0.13 121.20 126.10 1wfi s ILE 73 Ca 0.06 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 1wfi s ILE 73 Cb -0.01 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1wfi s ILE 73 CO -0.04 -0.74 1.32 -1.61 0.00 0.00 0.00 174.94 173.86 1wfi s GLU 74 N 2.66 4.38 -0.53 2.79 0.41 0.32 -2.39 118.70 126.33 1wfi s GLU 74 Ca 0.17 2.08 0.00 0.00 -0.41 0.00 0.00 54.97 56.81 1wfi s GLU 74 Cb -0.18 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 1wfi s GLU 74 CO 0.13 -0.26 0.00 -0.25 -0.49 0.00 0.00 175.26 174.39 1wfi n ASP 75 N 2.51 -1.98 -4.01 -0.19 9.92 -1.26 -0.42 116.55 121.12 1wfi n ASP 75 Ca 0.06 0.27 -0.28 0.00 -0.53 0.00 0.00 54.79 54.30 1wfi n ASP 75 Cb 0.42 -1.90 -0.03 0.00 -0.64 0.00 0.00 41.12 38.97 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 -0.41 -0.31 1.98 0.44 0.00 -1.01 -4.76 105.19 101.11 1wfi n GLY 76 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.46 0.00 -4.36 1.61 2.85 0.44 -2.84 118.16 111.40 1wfi n LYS 77 Ca -0.28 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.67 1wfi n LYS 77 Cb 0.67 -0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.94 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 -1.99 3.22 -0.22 0.58 -7.23 -1.04 -1.49 120.40 112.24 1wfi s VAL 78 Ca 0.00 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 1wfi s VAL 78 Cb 0.00 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1wfi s VAL 78 CO 0.00 0.20 0.14 -0.69 -0.31 0.00 0.00 175.10 174.44 1wfi s VAL 79 N -1.11 5.34 0.02 1.32 1.01 0.12 0.12 120.40 127.22 1wfi s VAL 79 Ca 0.19 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1wfi s VAL 79 Cb -0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1wfi s VAL 79 CO 0.10 0.40 -0.07 0.42 0.00 0.00 0.00 175.10 175.96 1wfi s THR 80 N 0.67 3.65 -0.03 3.92 -4.23 0.34 0.98 115.64 120.93 1wfi s THR 80 Ca 0.08 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1wfi s THR 80 Cb -0.12 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1wfi s THR 80 CO 0.01 0.36 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.67 1wfi s VAL 81 N -1.03 0.79 -0.35 2.29 1.01 0.12 -0.32 120.40 122.90 1wfi s VAL 81 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1wfi s VAL 81 Cb -0.11 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.64 1wfi s VAL 81 CO 0.09 0.26 0.08 -2.28 0.00 0.00 0.00 175.10 173.24 1wfi s HIS 82 N 0.36 3.49 0.39 5.22 2.46 0.15 -0.62 115.29 126.74 1wfi s HIS 82 Ca -0.06 -2.32 -0.05 0.00 0.47 0.00 0.00 55.06 53.10 1wfi s HIS 82 Cb -0.10 -2.69 -0.04 0.00 -0.13 0.00 0.00 32.58 29.61 1wfi s HIS 82 CO 0.01 -0.90 0.67 -0.51 -2.47 0.00 0.00 174.74 171.54 1wfi s LEU 83 N 1.14 3.86 -0.24 8.88 2.01 -0.55 -2.23 118.68 131.54 1wfi s LEU 83 Ca 0.03 0.79 -0.01 0.00 0.01 0.00 0.00 54.13 54.95 1wfi s LEU 83 Cb -0.21 -3.68 0.07 0.00 0.01 0.00 0.00 46.19 42.39 1wfi s LEU 83 CO -0.04 -0.39 0.04 -0.70 1.01 0.00 0.00 176.35 176.27 1wfi s GLU 84 N -4.21 0.87 0.40 1.70 2.12 -1.26 -2.48 118.70 115.84 1wfi s GLU 84 Ca 0.45 -0.78 -0.26 0.00 0.36 0.00 0.00 54.97 54.74 1wfi s GLU 84 Cb -0.10 -2.17 -0.10 0.00 0.26 0.00 0.00 34.13 32.02 1wfi s GLU 84 CO 0.37 -0.76 1.30 1.63 -0.54 0.00 0.00 175.26 177.26 1wfi n LYS 85 N 4.90 2.06 -0.03 4.30 5.02 -1.20 0.86 118.16 134.07 1wfi n LYS 85 Ca -0.07 0.73 -0.14 0.00 -2.02 0.00 0.00 58.31 56.81 1wfi n LYS 85 Cb 0.45 -2.41 -0.10 0.00 -0.02 0.00 0.00 35.03 32.95 1wfi n LYS 85 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wfi h ILE 86 N 2.29 1.45 0.00 -0.18 1.08 -1.87 -3.29 117.51 117.00 1wfi h ILE 86 Ca -0.48 -1.54 0.00 0.00 -0.39 0.00 0.00 64.86 62.45 1wfi h ILE 86 Cb 1.29 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 37.40 1wfi h ILE 86 CO 0.61 0.42 -1.36 0.59 -0.69 0.00 0.00 178.15 177.72 1wfi n ASN 87 N -4.63 0.52 -3.89 1.72 4.13 -1.26 -4.97 115.26 106.88 1wfi n ASN 87 Ca -0.08 0.16 -0.28 0.00 1.68 0.00 0.00 54.58 56.06 1wfi n ASN 87 Cb 0.39 1.04 -0.02 0.00 -1.54 0.00 0.00 39.78 39.64 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 -2.47 -0.65 -1.50 3.52 -0.00 -1.24 -4.74 118.16 111.08 1wfi n LYS 88 Ca -0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.31 58.19 1wfi n LYS 88 Cb 0.55 -1.79 -0.00 0.00 -0.00 0.00 0.00 35.03 33.78 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wfi n MET 89 N -3.68 0.42 -3.69 -1.58 0.00 -1.26 -4.61 117.12 102.73 1wfi n MET 89 Ca -0.13 -1.00 -0.10 0.00 0.00 0.00 0.00 57.70 56.46 1wfi n MET 89 Cb 0.42 0.47 -0.10 0.00 0.00 0.00 0.00 33.22 34.01 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 0.04 0.45 0.93 3.17 2.56 -1.26 -5.11 118.70 119.47 1wfi s GLU 90 Ca 0.03 0.84 -0.11 0.00 0.00 0.00 0.00 54.97 55.73 1wfi s GLU 90 Cb 0.14 0.02 0.15 0.00 2.00 0.00 0.00 34.13 36.44 1wfi s GLU 90 CO -0.04 -0.15 1.11 -0.46 -0.56 0.00 0.00 175.26 175.16 1wfi s TRP 91 N 1.34 1.83 -0.15 5.30 -0.11 -1.26 -4.84 118.94 121.04 1wfi s TRP 91 Ca -0.09 1.60 0.01 0.00 1.22 0.00 0.00 56.10 58.84 1wfi s TRP 91 Cb -0.08 -3.23 0.02 0.00 -1.50 0.00 0.00 33.47 28.68 1wfi s TRP 91 CO -0.13 -2.75 -0.17 -1.58 -4.62 0.00 0.00 176.95 167.70 1wfi s TRP 92 N -2.70 2.43 -1.85 5.86 0.52 -1.26 -4.97 118.94 116.97 1wfi s TRP 92 Ca 0.66 -1.36 0.31 0.00 0.02 0.00 0.00 56.10 55.73 1wfi s TRP 92 Cb -0.22 -1.72 1.75 0.00 -1.15 0.00 0.00 33.47 32.14 1wfi s TRP 92 CO 0.59 -0.69 2.15 -1.71 0.02 0.00 0.00 176.95 177.31 1wfi n ASN 93 N 4.57 0.07 0.00 2.95 5.15 -1.26 -4.84 115.26 121.90 1wfi n ASN 93 Ca -0.19 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 1wfi n ASN 93 Cb 0.50 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1wfi n ASN 93 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1wfi n ARG 94 N -1.04 0.00 -0.04 1.20 0.00 -1.26 -5.03 116.66 110.49 1wfi n ARG 94 Ca 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1wfi n ARG 94 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.60 1wfi n ARG 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1wfi h LEU 95 N 0.00 -0.40 0.00 2.89 5.85 -1.97 -3.40 115.31 118.29 1wfi h LEU 95 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1wfi h LEU 95 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1wfi h LEU 95 CO 0.00 -0.16 0.00 1.33 -0.34 0.00 0.00 178.44 179.27 1wfi n VAL 96 N -5.28 0.00 0.00 1.05 0.24 -1.26 -2.43 118.33 110.65 1wfi n VAL 96 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1wfi n VAL 96 Cb 0.20 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1wfi n VAL 96 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wfi n THR 97 N 0.00 0.00 -3.68 3.34 -2.24 -0.81 -2.21 114.28 108.68 1wfi n THR 97 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1wfi n THR 97 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 1wfi n THR 97 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfi s SER 98 N -1.28 3.05 0.39 3.42 0.01 -1.26 -5.09 113.70 112.93 1wfi s SER 98 Ca 0.00 -0.97 -0.22 0.00 1.31 0.00 0.00 55.95 56.07 1wfi s SER 98 Cb 0.00 -0.52 -0.15 0.00 0.21 0.00 0.00 66.02 65.57 1wfi s SER 98 CO 0.00 -0.35 0.32 -0.90 0.41 0.00 0.00 173.24 172.72 1wfi n ASP 99 N 5.10 -1.89 0.00 2.44 5.75 -1.26 -4.76 116.55 121.92 1wfi n ASP 99 Ca -0.07 0.89 0.00 0.00 -0.01 0.00 0.00 54.79 55.60 1wfi n ASP 99 Cb 0.46 -0.98 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1wfi n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wfi n PRO 100 N 1.01 0.00 0.00 0.11 -0.04 -1.26 -4.97 135.00 129.84 1wfi n PRO 100 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1wfi n PRO 100 Cb 0.38 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 1wfi n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfi n GLU 101 N -0.01 0.00 -1.33 0.54 0.28 -1.26 -5.15 120.64 113.71 1wfi n GLU 101 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.16 1wfi n GLU 101 Cb 0.00 -0.63 -0.07 0.00 1.43 0.00 0.00 31.44 32.18 1wfi n GLU 101 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1wfi n ILE 102 N -2.30 -0.29 -0.01 3.84 5.41 -1.26 -4.92 119.36 119.83 1wfi n ILE 102 Ca 0.00 0.57 -0.01 0.00 1.00 0.00 0.00 62.75 64.31 1wfi n ILE 102 Cb 0.29 -0.99 -0.00 0.00 -0.71 0.00 0.00 39.64 38.22 1wfi n ILE 102 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1wfi n ASN 103 N -4.27 0.80 -0.48 4.38 5.15 -1.26 -5.13 115.26 114.45 1wfi n ASN 103 Ca -0.05 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1wfi n ASN 103 Cb 0.64 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1wfi n ASN 103 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1wfi n THR 104 N -2.96 0.00 -5.16 -0.44 5.66 -1.26 -5.09 114.28 105.02 1wfi n THR 104 Ca -0.02 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.66 1wfi n THR 104 Cb 0.52 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.14 1wfi n THR 104 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1wfi s LYS 105 N -0.44 2.95 -0.48 1.09 2.20 -1.26 -4.49 119.74 119.31 1wfi s LYS 105 Ca 0.00 -0.85 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 1wfi s LYS 105 Cb 0.00 -2.31 0.18 0.00 -1.51 0.00 0.00 37.83 34.19 1wfi s LYS 105 CO 0.00 0.25 0.59 0.21 -0.36 0.00 0.00 175.35 176.04 1wfi s LYS 106 N 0.18 1.00 0.00 4.03 2.36 -1.23 -5.05 119.74 121.03 1wfi s LYS 106 Ca -0.13 -1.39 0.00 0.00 -2.55 0.00 0.00 55.97 51.90 1wfi s LYS 106 Cb -0.16 -0.52 0.00 0.00 -1.05 0.00 0.00 37.83 36.09 1wfi s LYS 106 CO 0.07 -1.34 0.16 0.44 1.55 0.00 0.00 175.35 176.23 1wfi n ILE 107 N 2.98 0.00 -3.56 5.43 -5.35 -1.26 -4.67 119.36 112.93 1wfi n ILE 107 Ca 0.22 0.52 -0.06 0.00 -0.27 0.00 0.00 62.75 63.16 1wfi n ILE 107 Cb 0.53 -0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 37.52 1wfi n ILE 107 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1wfi s ASN 108 N -2.19 -0.23 0.01 7.28 2.47 -1.26 -4.89 114.94 116.13 1wfi s ASN 108 Ca 0.00 0.01 -0.20 0.00 0.42 0.00 0.00 52.86 53.09 1wfi s ASN 108 Cb 0.00 0.24 -0.22 0.00 -1.45 0.00 0.00 41.25 39.82 1wfi s ASN 108 CO 0.00 -0.38 1.14 1.55 -3.72 0.00 0.00 177.10 175.68 1wfi h PRO 109 N 2.02 0.41 -4.27 0.43 0.13 -2.00 -3.50 132.00 125.23 1wfi h PRO 109 Ca -0.14 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1wfi h PRO 109 Cb 1.20 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wfi h PRO 109 CO 0.26 1.06 -0.83 -1.91 -0.23 0.00 0.00 178.00 176.35 1wfi n GLU 110 N -4.26 -4.41 -3.25 0.86 0.00 -1.26 -5.05 120.64 103.26 1wfi n GLU 110 Ca -0.10 3.28 -0.04 0.00 0.00 0.00 0.00 57.16 60.30 1wfi n GLU 110 Cb 0.63 -4.06 -0.03 0.00 0.00 0.00 0.00 31.44 27.98 1wfi n GLU 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wfi s ASN 111 N -0.50 -0.75 0.04 4.31 2.20 -1.26 -5.14 114.94 113.83 1wfi s ASN 111 Ca 0.00 -0.97 -0.28 0.00 -0.94 0.00 0.00 52.86 50.66 1wfi s ASN 111 Cb 0.00 1.56 0.10 0.00 -2.00 0.00 0.00 41.25 40.91 1wfi s ASN 111 CO 0.00 -0.20 1.13 -0.55 -2.94 0.00 0.00 177.10 174.54 1wfi s SER 112 N 1.77 -0.12 0.54 3.54 0.15 -1.26 -5.19 113.70 113.13 1wfi s SER 112 Ca 0.16 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.61 1wfi s SER 112 Cb -0.08 0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1wfi s SER 112 CO -0.07 -0.55 0.18 -0.54 1.20 0.00 0.00 173.24 173.46 1wfi s LYS 113 N -2.80 2.23 -0.21 5.44 1.02 -1.26 -5.13 119.74 119.03 1wfi s LYS 113 Ca 0.13 -2.28 -0.03 0.00 0.02 0.00 0.00 55.97 53.81 1wfi s LYS 113 Cb 0.02 -1.76 0.07 0.00 -0.52 0.00 0.00 37.83 35.63 1wfi s LYS 113 CO -0.02 -0.52 0.05 -0.51 -0.92 0.00 0.00 175.35 173.43 1wfi s LEU 114 N -4.08 1.25 -0.84 3.17 1.43 -1.26 -5.06 118.68 113.30 1wfi s LEU 114 Ca 0.15 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 1wfi s LEU 114 Cb -0.01 -0.61 0.21 0.00 0.03 0.00 0.00 46.19 45.82 1wfi s LEU 114 CO 0.09 -0.33 0.71 -1.20 0.23 0.00 0.00 176.35 175.86 1wfi n SER 115 N 5.04 3.89 -3.71 2.29 7.64 -1.26 -4.96 113.62 122.54 1wfi n SER 115 Ca -0.08 -3.18 -0.30 0.00 1.01 0.00 0.00 58.87 56.32 1wfi n SER 115 Cb 0.46 -0.95 -0.13 0.00 -1.01 0.00 0.00 64.21 62.58 1wfi n SER 115 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wfi s ASP 116 N -0.71 3.66 0.18 6.43 1.01 -1.26 -5.11 116.67 120.87 1wfi s ASP 116 Ca 0.28 -2.59 -0.02 0.00 0.71 0.00 0.00 52.55 50.92 1wfi s ASP 116 Cb -0.05 -1.03 -0.05 0.00 1.01 0.00 0.00 42.92 42.80 1wfi s ASP 116 CO -0.13 -0.27 0.38 -1.48 0.21 0.00 0.00 175.17 173.88 1wfi s LEU 117 N 0.39 4.24 0.15 1.23 0.05 -1.26 -5.10 118.68 118.38 1wfi s LEU 117 Ca 0.17 0.47 -0.13 0.00 0.05 0.00 0.00 54.13 54.69 1wfi s LEU 117 Cb -0.24 -3.22 0.01 0.00 -2.05 0.00 0.00 46.19 40.69 1wfi s LEU 117 CO 0.00 -0.01 0.35 -0.62 -0.55 0.00 0.00 176.35 175.53 1wfi s ASP 118 N -2.90 -0.08 0.00 1.48 2.15 -1.26 -5.16 116.67 110.90 1wfi s ASP 118 Ca 0.39 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1wfi s ASP 118 Cb -0.11 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.97 1wfi s ASP 118 CO 0.28 -0.90 0.00 -1.20 -0.17 0.00 0.00 175.17 173.18 1wfi n SER 119 N -0.22 0.00 0.00 -0.34 7.64 -1.26 -5.18 113.62 114.26 1wfi n SER 119 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wfi n SER 119 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1wfi n SER 119 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wfi n GLU 120 N 0.00 2.35 -3.63 1.43 0.28 -1.26 -5.19 120.64 114.62 1wfi n GLU 120 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1wfi n GLU 120 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1wfi n GLU 120 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1wfi s THR 121 N 2.45 0.00 0.21 3.84 -1.32 -1.26 -5.19 115.64 114.37 1wfi s THR 121 Ca 0.00 -0.22 -0.20 0.00 -1.21 0.00 0.00 61.69 60.06 1wfi s THR 121 Cb 0.00 -1.68 0.03 0.00 -1.51 0.00 0.00 72.50 69.35 1wfi s THR 121 CO 0.00 0.00 0.60 0.00 -2.21 0.00 0.00 174.62 173.01 1wfi s ARG 122 N -2.61 1.49 0.24 7.08 1.04 -1.26 -5.19 118.95 119.74 1wfi s ARG 122 Ca 0.12 -0.82 -0.06 0.00 -1.04 0.00 0.00 55.73 53.93 1wfi s ARG 122 Cb 0.02 0.56 -0.02 0.00 -2.04 0.00 0.00 34.95 33.47 1wfi s ARG 122 CO -0.03 -0.65 0.32 -1.12 -0.04 0.00 0.00 175.30 173.77 1wfi s SER 123 N -2.86 0.14 -0.30 -2.89 0.01 -1.26 -5.18 113.70 101.37 1wfi s SER 123 Ca 0.08 -1.20 -0.27 0.00 1.31 0.00 0.00 55.95 55.87 1wfi s SER 123 Cb -0.03 0.50 0.20 0.00 0.21 0.00 0.00 66.02 66.90 1wfi s SER 123 CO -0.02 -1.02 1.42 -0.32 0.41 0.00 0.00 173.24 173.71 1wfi s MET 124 N -3.99 0.03 0.00 12.44 0.00 -1.26 -5.18 119.30 121.34 1wfi s MET 124 Ca 0.31 0.02 0.00 0.00 0.00 0.00 0.00 55.69 56.02 1wfi s MET 124 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 34.83 34.87 1wfi s MET 124 CO 0.12 -0.01 0.00 1.55 0.00 0.00 0.00 175.02 176.68 1wfi n VAL 125 N 0.95 0.00 -3.64 10.11 3.14 -1.26 -5.17 118.33 122.46 1wfi n VAL 125 Ca -0.04 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.32 1wfi n VAL 125 Cb 0.58 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.33 1wfi n VAL 125 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wfi s SER 126 N 0.14 -0.02 -0.33 6.55 0.15 -1.26 -5.13 113.70 113.79 1wfi s SER 126 Ca 0.00 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wfi s SER 126 Cb 0.00 0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.44 1wfi s SER 126 CO 0.00 -0.03 0.13 -0.83 1.20 0.00 0.00 173.24 173.72 1wfi s GLY 127 N -1.35 1.11 0.82 9.45 0.00 -1.26 -5.13 107.32 110.97 1wfi s GLY 127 Ca 0.10 -1.80 -0.14 0.00 0.00 0.00 0.00 44.72 42.89 1wfi s GLY 127 CO -0.06 1.67 0.91 -1.55 0.00 0.00 0.00 173.10 174.07 1wfi n PRO 128 N 4.60 -1.79 -3.63 2.90 -0.04 -1.26 -5.10 135.00 130.69 1wfi n PRO 128 Ca 0.01 -1.42 -0.04 0.00 -0.04 0.00 0.00 63.50 62.01 1wfi n PRO 128 Cb 0.40 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 1wfi n PRO 128 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfi s SER 129 N -4.18 -0.19 0.29 3.54 0.01 -1.26 -5.19 113.70 106.73 1wfi s SER 129 Ca 0.55 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.45 1wfi s SER 129 Cb -0.03 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1wfi s SER 129 CO 0.40 -0.55 0.76 -0.94 0.41 0.00 0.00 173.24 173.33 1wfi s SER 130 N -2.68 -0.19 0.00 2.44 1.04 -1.26 -5.37 113.70 107.68 1wfi s SER 130 Ca 0.10 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.99 1wfi s SER 130 Cb 0.00 0.73 0.14 0.00 0.10 0.00 0.00 66.02 67.00 1wfi s SER 130 CO -0.04 -1.38 1.06 0.61 0.98 0.00 0.00 173.24 174.47