#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 -1.33 -0.28 1.61 0.01 -1.26 -5.15 113.70 107.30 1wfi s SER 2 Ca 0.00 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.04 1wfi s SER 2 Cb 0.00 1.82 0.19 0.00 0.21 0.00 0.00 66.02 68.24 1wfi s SER 2 CO 0.00 -0.23 1.35 -0.55 0.41 0.00 0.00 173.24 174.21 1wfi s SER 3 N 2.75 -0.07 0.00 2.44 0.15 -1.26 -5.18 113.70 112.52 1wfi s SER 3 Ca 0.15 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1wfi s SER 3 Cb -0.07 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wfi s SER 3 CO -0.23 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wfi n GLY 4 N 0.82 4.57 3.39 9.45 0.00 -1.26 -5.13 105.19 117.04 1wfi n GLY 4 Ca -0.04 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1wfi n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfi n SER 5 N 0.00 -2.16 -3.59 1.61 3.41 -1.26 -5.00 113.62 106.63 1wfi n SER 5 Ca 0.00 0.41 0.03 0.00 -0.26 0.00 0.00 58.87 59.05 1wfi n SER 5 Cb 0.00 -1.17 -0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1wfi n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfi s SER 6 N -1.73 -0.03 -0.06 4.04 1.04 -1.26 -5.01 113.70 110.69 1wfi s SER 6 Ca 0.58 -0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.64 1wfi s SER 6 Cb -0.26 0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.06 1wfi s SER 6 CO 0.66 -0.14 1.36 -0.83 0.98 0.00 0.00 173.24 175.27 1wfi s GLY 7 N -3.02 -0.37 0.00 7.32 0.00 -1.16 -5.06 107.32 105.02 1wfi s GLY 7 Ca 0.15 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1wfi s GLY 7 CO -0.05 2.03 0.00 -1.55 0.00 0.00 0.00 173.10 173.53 1wfi n PRO 8 N -0.63 0.51 -1.13 2.90 -0.04 -1.26 -4.49 135.00 130.85 1wfi n PRO 8 Ca -0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 1wfi n PRO 8 Cb 0.62 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.25 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 -0.98 3.78 -3.97 3.54 2.85 -1.26 -4.96 115.26 114.26 1wfi n ASN 9 Ca 0.00 -3.70 -0.09 0.00 -0.11 0.00 0.00 54.58 50.68 1wfi n ASN 9 Cb 0.00 -0.77 -0.05 0.00 1.24 0.00 0.00 39.78 40.20 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 -3.35 0.27 0.04 1.20 -0.85 -1.26 -4.74 117.35 108.65 1wfi s TYR 10 Ca 0.54 -0.64 0.03 0.00 -0.52 0.00 0.00 57.07 56.47 1wfi s TYR 10 Cb 0.46 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 1wfi s TYR 10 CO 0.06 -1.02 -0.00 -0.98 -1.52 0.00 0.00 175.55 172.08 1wfi s ARG 11 N -4.00 2.67 -0.18 -3.49 1.70 -0.85 -4.99 118.95 109.82 1wfi s ARG 11 Ca 0.20 -0.72 -0.12 0.00 -0.47 0.00 0.00 55.73 54.62 1wfi s ARG 11 Cb -0.01 -2.60 0.06 0.00 -0.57 0.00 0.00 34.95 31.82 1wfi s ARG 11 CO 0.08 0.58 0.44 1.67 -1.08 0.00 0.00 175.30 177.00 1wfi s TRP 12 N -1.19 -0.61 0.00 5.89 1.48 -1.26 -0.05 118.94 123.20 1wfi s TRP 12 Ca 0.22 1.33 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 1wfi s TRP 12 Cb -0.12 0.27 0.00 0.00 -1.16 0.00 0.00 33.47 32.46 1wfi s TRP 12 CO 0.14 -0.33 0.00 0.25 -4.06 0.00 0.00 176.95 172.95 1wfi n THR 13 N 3.84 0.00 -3.68 0.66 -2.24 0.13 -4.94 114.28 108.06 1wfi n THR 13 Ca -0.20 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1wfi n THR 13 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi s GLN 14 N -1.29 0.01 -0.21 -0.78 -2.07 -1.26 -0.74 119.66 113.32 1wfi s GLN 14 Ca 0.00 -0.00 0.21 0.00 -1.82 0.00 0.00 55.36 53.75 1wfi s GLN 14 Cb 0.00 0.00 0.48 0.00 -1.09 0.00 0.00 33.01 32.41 1wfi s GLN 14 CO 0.00 -0.00 1.14 -2.37 -1.32 0.00 0.00 175.29 172.73 1wfi n THR 15 N -0.63 1.19 -1.12 3.63 5.66 -0.86 -4.92 114.28 117.21 1wfi n THR 15 Ca -0.05 -2.68 -0.04 0.00 -3.05 0.00 0.00 64.05 58.23 1wfi n THR 15 Cb 0.62 0.89 -0.02 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.40 0.24 0.03 1.09 4.77 -1.26 -4.53 117.00 116.94 1wfi n LEU 16 Ca 0.12 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1wfi n LEU 16 Cb 0.89 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1wfi n LEU 16 CO 0.08 -0.78 0.00 0.00 -1.33 0.00 0.00 177.39 175.37 1wfi n ALA 17 N 1.08 2.03 -2.51 -1.18 0.00 -1.26 -2.72 120.51 115.94 1wfi n ALA 17 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 1wfi n ALA 17 Cb 0.42 0.00 -0.00 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 -1.19 3.38 -0.06 0.00 2.02 -1.26 -2.23 118.70 119.36 1wfi s GLU 18 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 54.97 54.73 1wfi s GLU 18 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1wfi s GLU 18 CO 0.00 -0.02 -0.16 -0.51 0.02 0.00 0.00 175.26 174.59 1wfi s LEU 19 N -4.44 1.84 0.09 1.80 1.43 0.86 -2.03 118.68 118.22 1wfi s LEU 19 Ca 0.43 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1wfi s LEU 19 Cb -0.10 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1wfi s LEU 19 CO 0.38 0.11 -0.16 -1.81 0.23 0.00 0.00 176.35 175.09 1wfi s ASP 20 N 0.34 3.98 -0.06 2.29 1.01 0.08 0.15 116.67 124.46 1wfi s ASP 20 Ca -0.11 -0.48 -0.14 0.00 0.71 0.00 0.00 52.55 52.53 1wfi s ASP 20 Cb -0.14 -0.63 0.03 0.00 1.01 0.00 0.00 42.92 43.18 1wfi s ASP 20 CO 0.04 0.20 0.33 -0.22 0.21 0.00 0.00 175.17 175.73 1wfi s LEU 21 N -1.95 0.77 -0.13 1.23 2.96 0.32 0.23 118.68 122.11 1wfi s LEU 21 Ca 0.18 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1wfi s LEU 21 Cb -0.11 1.25 0.06 0.00 0.50 0.00 0.00 46.19 47.90 1wfi s LEU 21 CO 0.09 -0.32 0.20 0.00 -1.32 0.00 0.00 176.35 175.00 1wfi s ALA 22 N -0.74 -0.26 -0.32 5.97 0.00 0.93 0.10 121.76 127.44 1wfi s ALA 22 Ca -0.08 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1wfi s ALA 22 Cb -0.04 -0.99 0.08 0.00 0.00 0.00 0.00 23.12 22.17 1wfi s ALA 22 CO 0.03 -0.76 0.01 0.08 0.00 0.00 0.00 175.76 175.12 1wfi s VAL 23 N 2.33 2.48 0.57 0.00 1.01 0.49 -2.00 120.40 125.27 1wfi s VAL 23 Ca 0.04 -1.95 -0.17 0.00 0.00 0.00 0.00 61.98 59.90 1wfi s VAL 23 Cb -0.13 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1wfi s VAL 23 CO -0.08 -0.36 1.05 -2.16 0.00 0.00 0.00 175.10 173.55 1wfi s PRO 24 N 1.05 3.47 0.06 2.72 0.04 -1.26 0.44 135.00 141.51 1wfi s PRO 24 Ca 0.02 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1wfi s PRO 24 Cb -0.20 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1wfi s PRO 24 CO -0.06 -0.69 -0.07 -0.06 0.04 0.00 0.00 177.00 176.17 1wfi s PHE 25 N -2.40 0.71 -0.70 0.56 0.08 -1.23 -4.88 117.98 110.13 1wfi s PHE 25 Ca 0.64 -0.62 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 1wfi s PHE 25 Cb -0.15 -0.42 0.18 0.00 -0.57 0.00 0.00 43.02 42.05 1wfi s PHE 25 CO 0.33 -0.11 0.63 1.03 -0.10 0.00 0.00 175.22 177.00 1wfi s ARG 26 N -2.20 3.27 0.05 0.44 1.81 -1.26 -4.67 118.95 116.38 1wfi s ARG 26 Ca -0.04 -2.17 0.01 0.00 -1.72 0.00 0.00 55.73 51.81 1wfi s ARG 26 Cb -0.06 -4.31 -0.03 0.00 -0.45 0.00 0.00 34.95 30.10 1wfi s ARG 26 CO -0.01 -1.29 -0.05 0.14 -0.68 0.00 0.00 175.30 173.40 1wfi s VAL 27 N 0.72 0.39 -2.83 3.52 -7.23 -1.26 -5.03 120.40 108.67 1wfi s VAL 27 Ca 0.12 -1.38 0.23 0.00 -1.81 0.00 0.00 61.98 59.15 1wfi s VAL 27 Cb -0.19 -0.95 0.16 0.00 0.56 0.00 0.00 36.38 35.97 1wfi s VAL 27 CO -0.04 -0.65 1.23 -1.20 -0.31 0.00 0.00 175.10 174.12 1wfi n SER 28 N 0.88 2.84 -4.52 4.85 7.64 -1.26 -4.95 113.62 119.10 1wfi n SER 28 Ca -0.19 -1.92 -0.25 0.00 1.01 0.00 0.00 58.87 57.52 1wfi n SER 28 Cb 0.57 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.04 2.25 -0.73 1.43 -0.12 -1.26 -5.08 117.98 112.43 1wfi s PHE 29 Ca 0.26 -0.66 -0.26 0.00 -0.05 0.00 0.00 56.93 56.22 1wfi s PHE 29 Cb 0.19 -1.40 0.04 0.00 -0.63 0.00 0.00 43.02 41.22 1wfi s PHE 29 CO 0.33 0.39 1.24 1.03 -0.05 0.00 0.00 175.22 178.15 1wfi s ARG 30 N -3.71 3.19 0.17 1.99 0.52 -1.25 -4.67 118.95 115.18 1wfi s ARG 30 Ca 0.33 -0.35 -0.33 0.00 -0.52 0.00 0.00 55.73 54.86 1wfi s ARG 30 Cb 0.06 -4.21 -0.14 0.00 0.52 0.00 0.00 34.95 31.18 1wfi s ARG 30 CO 0.16 -2.10 1.49 1.28 0.02 0.00 0.00 175.30 176.15 1wfi n LEU 31 N 9.11 2.87 -4.99 2.53 4.77 0.34 -4.97 117.00 126.66 1wfi n LEU 31 Ca 0.03 1.10 -0.18 0.00 -0.03 0.00 0.00 56.01 56.93 1wfi n LEU 31 Cb 0.48 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1wfi n LEU 31 CO 0.70 -0.47 0.09 -0.54 -1.33 0.00 0.00 177.39 175.84 1wfi s LYS 32 N 0.47 2.96 0.00 3.23 1.02 -1.26 -4.68 119.74 121.48 1wfi s LYS 32 Ca 0.77 -1.14 0.09 0.00 0.02 0.00 0.00 55.97 55.71 1wfi s LYS 32 Cb -0.71 -2.77 0.45 0.00 -0.52 0.00 0.00 37.83 34.28 1wfi s LYS 32 CO 0.42 -0.08 1.30 0.41 -0.92 0.00 0.00 175.35 176.48 1wfi n GLY 33 N -1.71 -0.72 0.01 -3.33 0.00 -1.26 -2.78 105.19 95.40 1wfi n GLY 33 Ca 0.03 -0.11 0.09 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 -0.41 0.57 -0.54 1.61 2.85 -1.26 -4.22 118.16 116.76 1wfi n LYS 34 Ca 0.07 -0.16 0.08 0.00 -1.05 0.00 0.00 58.31 57.25 1wfi n LYS 34 Cb 0.08 -1.43 0.29 0.00 -0.65 0.00 0.00 35.03 33.32 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 -2.11 4.31 -4.67 -5.58 8.00 -1.12 -4.92 116.55 110.46 1wfi n ASP 35 Ca -0.03 -2.78 -0.27 0.00 0.71 0.00 0.00 54.79 52.42 1wfi n ASP 35 Cb 0.47 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wfi s VAL 36 N -2.43 2.08 -0.26 2.53 1.01 -1.23 -1.53 120.40 120.57 1wfi s VAL 36 Ca 0.44 -1.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.51 1wfi s VAL 36 Cb 0.33 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.85 1wfi s VAL 36 CO 0.14 0.00 0.23 -0.69 0.00 0.00 0.00 175.10 174.78 1wfi s VAL 37 N -2.68 -0.29 -0.37 2.92 1.01 0.45 -4.32 120.40 117.12 1wfi s VAL 37 Ca 0.36 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1wfi s VAL 37 Cb 0.08 -0.90 0.11 0.00 0.00 0.00 0.00 36.38 35.67 1wfi s VAL 37 CO 0.19 -0.46 0.10 -0.69 0.00 0.00 0.00 175.10 174.24 1wfi s VAL 38 N 2.28 2.44 -0.75 2.92 1.01 -1.26 -0.85 120.40 126.19 1wfi s VAL 38 Ca 0.08 -2.46 -0.15 0.00 0.00 0.00 0.00 61.98 59.45 1wfi s VAL 38 Cb -0.15 -2.77 0.19 0.00 0.00 0.00 0.00 36.38 33.65 1wfi s VAL 38 CO -0.28 -0.64 0.72 -0.62 0.00 0.00 0.00 175.10 174.28 1wfi s ASP 39 N 0.82 6.58 -0.73 3.32 -1.08 0.46 -4.98 116.67 121.07 1wfi s ASP 39 Ca 0.12 -2.36 -0.12 0.00 -0.52 0.00 0.00 52.55 49.66 1wfi s ASP 39 Cb -0.20 -2.23 0.19 0.00 -1.46 0.00 0.00 42.92 39.22 1wfi s ASP 39 CO -0.07 -0.71 0.65 -0.63 0.52 0.00 0.00 175.17 174.94 1wfi s ILE 40 N 0.83 5.19 0.65 4.11 1.01 -1.26 -0.76 121.20 130.97 1wfi s ILE 40 Ca 0.15 -2.32 0.01 0.00 0.00 0.00 0.00 60.65 58.48 1wfi s ILE 40 Cb -0.15 -4.26 0.10 0.00 0.01 0.00 0.00 42.46 38.16 1wfi s ILE 40 CO -0.05 -0.96 0.91 -1.10 0.00 0.00 0.00 174.94 173.73 1wfi s GLN 41 N 0.46 2.00 0.10 2.79 -1.52 0.72 -4.70 119.66 119.51 1wfi s GLN 41 Ca 0.14 -1.08 -0.33 0.00 -1.95 0.00 0.00 55.36 52.14 1wfi s GLN 41 Cb -0.16 -2.41 -0.13 0.00 -0.22 0.00 0.00 33.01 30.09 1wfi s GLN 41 CO -0.06 -1.17 1.58 -0.09 -0.25 0.00 0.00 175.29 175.30 1wfi h ARG 42 N -0.27 -0.74 -1.66 2.91 9.65 -1.97 -3.28 114.38 119.01 1wfi h ARG 42 Ca -0.37 0.05 -0.51 0.00 -1.10 0.00 0.00 59.98 58.05 1wfi h ARG 42 Cb 1.28 0.17 -0.41 0.00 -1.39 0.00 0.00 29.97 29.61 1wfi h ARG 42 CO 0.44 -0.49 -0.92 -2.13 2.80 0.00 0.00 179.97 179.67 1wfi n ARG 43 N -5.49 2.34 -3.20 0.20 0.63 -1.26 0.27 116.66 110.14 1wfi n ARG 43 Ca -0.09 -4.06 0.04 0.00 -0.92 0.00 0.00 57.85 52.83 1wfi n ARG 43 Cb 0.41 -1.89 -0.02 0.00 0.45 0.00 0.00 32.46 31.41 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 -3.21 -0.50 0.25 -0.14 2.46 -1.24 -3.04 115.29 109.87 1wfi s HIS 44 Ca 0.41 0.63 0.06 0.00 0.47 0.00 0.00 55.06 56.63 1wfi s HIS 44 Cb 0.38 0.21 -0.03 0.00 -0.13 0.00 0.00 32.58 33.01 1wfi s HIS 44 CO -0.10 -0.27 0.32 -1.17 -2.47 0.00 0.00 174.74 171.05 1wfi s LEU 45 N 2.74 4.15 -0.30 8.88 2.96 -0.39 -0.20 118.68 136.52 1wfi s LEU 45 Ca -0.01 -0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1wfi s LEU 45 Cb -0.08 -2.70 0.17 0.00 0.50 0.00 0.00 46.19 44.08 1wfi s LEU 45 CO -0.13 -0.08 1.04 -0.60 -1.32 0.00 0.00 176.35 175.26 1wfi s ARG 46 N -3.95 0.25 0.06 1.98 3.52 0.06 -2.13 118.95 118.74 1wfi s ARG 46 Ca 0.34 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 1wfi s ARG 46 Cb -0.09 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 1wfi s ARG 46 CO 0.28 -0.08 -0.10 0.08 -0.81 0.00 0.00 175.30 174.67 1wfi s VAL 47 N 2.18 0.77 0.00 7.11 1.01 -0.56 0.17 120.40 131.09 1wfi s VAL 47 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1wfi s VAL 47 Cb -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1wfi s VAL 47 CO -0.17 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1wfi n GLY 48 N 1.26 2.80 3.76 4.51 0.00 -0.03 -0.44 105.19 117.05 1wfi n GLY 48 Ca -0.21 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 4.48 0.02 0.99 2.01 -1.26 0.17 118.68 125.10 1wfi s LEU 49 Ca 0.00 1.43 -0.39 0.00 0.01 0.00 0.00 54.13 55.18 1wfi s LEU 49 Cb 0.00 -3.17 -0.19 0.00 0.01 0.00 0.00 46.19 42.84 1wfi s LEU 49 CO 0.00 0.09 1.12 1.17 1.01 0.00 0.00 176.35 179.74 1wfi n LYS 50 N 2.44 0.27 0.00 1.70 4.81 -0.58 0.95 118.16 127.74 1wfi n LYS 50 Ca -0.04 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1wfi n LYS 50 Cb 0.50 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 1.74 1.53 3.72 3.14 0.00 -1.26 -4.96 105.19 109.10 1wfi n GLY 51 Ca 0.20 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 1.05 0.24 1.61 -1.52 0.27 -4.99 119.66 116.32 1wfi s GLN 52 Ca 0.00 0.62 -0.30 0.00 -1.95 0.00 0.00 55.36 53.73 1wfi s GLN 52 Cb 0.00 -1.80 -0.09 0.00 -0.22 0.00 0.00 33.01 30.90 1wfi s GLN 52 CO 0.00 -2.33 1.09 -1.25 -0.25 0.00 0.00 175.29 172.55 1wfi s PRO 53 N -5.02 4.64 -0.41 2.91 0.04 -1.26 -4.48 135.00 131.41 1wfi s PRO 53 Ca 0.64 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 1wfi s PRO 53 Cb -0.17 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1wfi s PRO 53 CO 0.56 0.18 1.41 -1.25 0.04 0.00 0.00 177.00 177.95 1wfi s PRO 54 N -1.08 3.57 0.45 0.56 0.04 -1.26 -4.42 135.00 132.86 1wfi s PRO 54 Ca 0.46 0.93 0.15 0.00 0.04 0.00 0.00 61.00 62.59 1wfi s PRO 54 Cb -0.31 -4.03 1.09 0.00 0.04 0.00 0.00 34.50 31.29 1wfi s PRO 54 CO 0.39 -1.57 1.99 0.28 0.04 0.00 0.00 177.00 178.13 1wfi h VAL 55 N 6.47 0.89 -4.23 -0.36 2.07 -1.13 -3.40 116.25 116.55 1wfi h VAL 55 Ca -0.28 -0.12 -0.69 0.00 0.82 0.00 0.00 66.70 66.44 1wfi h VAL 55 Cb 1.11 0.52 -0.25 0.00 -1.52 0.00 0.00 31.29 31.14 1wfi h VAL 55 CO 1.09 0.06 -0.85 -0.69 0.02 0.00 0.00 177.57 177.20 1wfi s VAL 56 N -5.33 2.44 0.00 2.57 1.01 -1.02 -4.67 120.40 115.40 1wfi s VAL 56 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1wfi s VAL 56 Cb 0.19 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1wfi s VAL 56 CO 0.74 0.43 0.00 -0.67 0.00 0.00 0.00 175.10 175.60 1wfi n ASP 57 N 1.91 0.00 0.00 3.32 2.03 -1.24 -1.49 116.55 121.08 1wfi n ASP 57 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1wfi n ASP 57 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1wfi n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfi n GLY 58 N 0.00 1.32 3.77 0.27 0.00 -0.91 -2.65 105.19 106.99 1wfi n GLY 58 Ca 0.00 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 1wfi n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfi s GLU 59 N -2.00 4.08 0.16 1.61 2.12 -1.26 -1.26 118.70 122.15 1wfi s GLU 59 Ca 0.00 1.80 -0.29 0.00 0.36 0.00 0.00 54.97 56.84 1wfi s GLU 59 Cb 0.00 -2.67 -0.07 0.00 0.26 0.00 0.00 34.13 31.64 1wfi s GLU 59 CO 0.00 -0.29 0.93 -0.51 -0.54 0.00 0.00 175.26 174.85 1wfi s LEU 60 N -2.48 4.56 0.65 2.70 2.01 -1.17 0.91 118.68 125.86 1wfi s LEU 60 Ca 0.57 1.83 0.27 0.00 0.01 0.00 0.00 54.13 56.81 1wfi s LEU 60 Cb -0.30 -3.56 1.46 0.00 0.01 0.00 0.00 46.19 43.81 1wfi s LEU 60 CO 0.37 0.05 1.84 0.22 1.01 0.00 0.00 176.35 179.84 1wfi h TYR 61 N 4.92 0.00 -1.96 0.29 5.03 -1.90 -3.39 116.97 119.96 1wfi h TYR 61 Ca -0.44 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.90 1wfi h TYR 61 Cb 1.21 0.00 -0.21 0.00 1.55 0.00 0.00 36.73 39.27 1wfi h TYR 61 CO 0.63 0.00 0.04 1.21 -1.32 0.00 0.00 178.16 178.72 1wfi s ASN 62 N -4.45 -0.93 -0.33 -2.11 3.84 -1.26 -5.05 114.94 104.65 1wfi s ASN 62 Ca -0.03 1.47 -0.31 0.00 0.21 0.00 0.00 52.86 54.20 1wfi s ASN 62 Cb 0.09 1.44 -0.13 0.00 -0.55 0.00 0.00 41.25 42.10 1wfi s ASN 62 CO 0.30 -0.23 1.21 -0.62 -2.79 0.00 0.00 177.10 174.97 1wfi n GLU 63 N 4.36 0.00 -3.98 0.43 1.02 -1.26 -4.61 120.64 116.60 1wfi n GLU 63 Ca -0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.60 1wfi n GLU 63 Cb 0.58 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 30.91 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 2.80 4.86 -0.33 2.62 -7.23 0.78 -0.53 120.40 123.37 1wfi s VAL 64 Ca 0.74 -0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.63 1wfi s VAL 64 Cb -1.00 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 32.70 1wfi s VAL 64 CO 0.50 0.46 2.15 -0.75 -0.31 0.00 0.00 175.10 177.15 1wfi s LYS 65 N 0.33 2.90 0.44 4.82 2.20 0.40 -4.10 119.74 126.73 1wfi s LYS 65 Ca 0.04 1.65 0.17 0.00 -0.36 0.00 0.00 55.97 57.47 1wfi s LYS 65 Cb -0.12 -4.39 1.01 0.00 -1.51 0.00 0.00 37.83 32.82 1wfi s LYS 65 CO -0.00 -2.37 1.95 -0.39 -0.36 0.00 0.00 175.35 174.18 1wfi h VAL 66 N 7.18 1.02 -0.66 4.02 -1.51 -1.84 -1.35 116.25 123.12 1wfi h VAL 66 Ca -0.34 -0.84 -0.09 0.00 -1.23 0.00 0.00 66.70 64.20 1wfi h VAL 66 Cb 1.22 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 31.83 1wfi h VAL 66 CO 1.04 0.23 0.08 -0.33 -1.23 0.00 0.00 177.57 177.36 1wfi h GLU 67 N 0.00 1.11 -0.01 5.19 4.39 -1.91 -1.89 114.58 121.46 1wfi h GLU 67 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1wfi h GLU 67 Cb 0.45 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1wfi h GLU 67 CO 0.03 1.03 -0.08 0.39 -1.16 0.00 0.00 179.01 179.22 1wfi n GLU 68 N -4.20 0.97 -2.76 2.33 1.02 -0.85 -4.86 120.64 112.30 1wfi n GLU 68 Ca 0.04 -0.38 -0.37 0.00 -0.02 0.00 0.00 57.16 56.43 1wfi n GLU 68 Cb 0.31 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.29 7.28 0.19 1.62 0.01 -0.57 -4.68 113.70 115.27 1wfi s SER 69 Ca 0.34 1.85 -0.10 0.00 1.31 0.00 0.00 55.95 59.35 1wfi s SER 69 Cb 0.20 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1wfi s SER 69 CO 0.43 -0.11 0.33 -0.55 0.41 0.00 0.00 173.24 173.75 1wfi s SER 70 N -1.63 0.00 0.12 2.44 0.15 0.49 -4.98 113.70 110.28 1wfi s SER 70 Ca 0.51 -0.93 -0.25 0.00 0.70 0.00 0.00 55.95 55.99 1wfi s SER 70 Cb -0.18 0.48 0.08 0.00 -1.71 0.00 0.00 66.02 64.68 1wfi s SER 70 CO 0.24 -0.97 0.72 -1.66 1.20 0.00 0.00 173.24 172.78 1wfi s TRP 71 N -4.00 -0.42 0.02 3.44 1.48 -1.26 0.14 118.94 118.34 1wfi s TRP 71 Ca 0.21 0.21 -0.27 0.00 -1.06 0.00 0.00 56.10 55.18 1wfi s TRP 71 Cb 0.02 0.57 0.09 0.00 -1.16 0.00 0.00 33.47 32.99 1wfi s TRP 71 CO 0.04 -0.78 0.77 -0.48 -4.06 0.00 0.00 176.95 172.43 1wfi s LEU 72 N -2.69 -0.48 -0.38 -4.66 0.05 -0.03 -4.99 118.68 105.50 1wfi s LEU 72 Ca 0.04 0.17 -0.16 0.00 0.05 0.00 0.00 54.13 54.22 1wfi s LEU 72 Cb -0.01 2.28 0.00 0.00 -2.05 0.00 0.00 46.19 46.41 1wfi s LEU 72 CO -0.09 -0.70 0.39 -0.63 -0.55 0.00 0.00 176.35 174.77 1wfi s ILE 73 N -2.78 5.14 0.20 1.48 1.01 -1.26 -0.17 121.20 124.82 1wfi s ILE 73 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1wfi s ILE 73 Cb -0.01 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 1wfi s ILE 73 CO -0.06 -0.24 0.57 -1.61 0.00 0.00 0.00 174.94 173.60 1wfi s GLU 74 N 2.05 3.92 -1.07 2.79 0.41 0.52 -3.84 118.70 123.49 1wfi s GLU 74 Ca 0.12 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 1wfi s GLU 74 Cb -0.17 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1wfi s GLU 74 CO 0.12 0.38 0.00 -0.25 -0.49 0.00 0.00 175.26 175.03 1wfi n ASP 75 N 0.34 -3.03 -3.01 -0.19 8.00 -1.26 0.10 116.55 117.50 1wfi n ASP 75 Ca -0.02 0.26 -0.19 0.00 0.71 0.00 0.00 54.79 55.54 1wfi n ASP 75 Cb 0.52 -2.82 -0.00 0.00 -0.02 0.00 0.00 41.12 38.80 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 -0.37 -0.49 1.48 0.44 0.00 -1.25 -4.53 105.19 100.46 1wfi n GLY 76 Ca -0.11 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.44 0.00 -2.59 1.61 2.85 0.94 0.13 118.16 117.66 1wfi n LYS 77 Ca -0.07 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.84 1wfi n LYS 77 Cb 0.57 -0.03 -0.04 0.00 -0.65 0.00 0.00 35.03 34.87 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 -1.74 3.84 -0.20 0.58 1.01 0.29 -3.47 120.40 120.71 1wfi s VAL 78 Ca 0.00 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.31 1wfi s VAL 78 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1wfi s VAL 78 CO 0.00 -0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.15 1wfi s VAL 79 N -1.80 2.07 -0.08 2.92 1.01 0.17 0.20 120.40 124.88 1wfi s VAL 79 Ca 0.60 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1wfi s VAL 79 Cb -0.19 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1wfi s VAL 79 CO 0.24 0.37 0.01 0.42 0.00 0.00 0.00 175.10 176.14 1wfi s THR 80 N 1.25 4.36 -0.02 3.92 -4.23 0.77 0.18 115.64 121.87 1wfi s THR 80 Ca 0.01 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1wfi s THR 80 Cb -0.15 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 1wfi s THR 80 CO -0.11 0.59 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.73 1wfi s VAL 81 N -0.90 1.15 -0.30 2.29 1.01 0.28 -0.85 120.40 123.08 1wfi s VAL 81 Ca 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1wfi s VAL 81 Cb -0.11 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.39 1wfi s VAL 81 CO 0.03 0.33 0.03 -2.28 0.00 0.00 0.00 175.10 173.21 1wfi s HIS 82 N -0.25 2.59 0.58 5.22 5.04 0.36 0.12 115.29 128.95 1wfi s HIS 82 Ca 0.04 -2.15 0.02 0.00 -1.54 0.00 0.00 55.06 51.43 1wfi s HIS 82 Cb -0.07 -2.07 0.06 0.00 0.04 0.00 0.00 32.58 30.54 1wfi s HIS 82 CO -0.00 -0.87 0.81 -0.51 -2.34 0.00 0.00 174.74 171.83 1wfi s LEU 83 N 1.31 3.23 -0.19 8.88 2.01 0.40 -0.38 118.68 133.94 1wfi s LEU 83 Ca 0.05 -0.20 -0.08 0.00 0.01 0.00 0.00 54.13 53.92 1wfi s LEU 83 Cb -0.18 -2.55 0.08 0.00 0.01 0.00 0.00 46.19 43.54 1wfi s LEU 83 CO -0.13 -1.28 0.41 -0.70 1.01 0.00 0.00 176.35 175.65 1wfi s GLU 84 N -4.80 0.34 0.85 1.70 2.12 -1.26 -0.10 118.70 117.55 1wfi s GLU 84 Ca 0.59 0.94 -0.10 0.00 0.36 0.00 0.00 54.97 56.76 1wfi s GLU 84 Cb -0.09 0.20 0.10 0.00 0.26 0.00 0.00 34.13 34.60 1wfi s GLU 84 CO 0.39 -0.22 1.11 0.15 -0.54 0.00 0.00 175.26 176.15 1wfi s LYS 85 N 2.22 1.61 0.20 4.30 1.02 -0.95 0.15 119.74 128.30 1wfi s LYS 85 Ca -0.04 1.29 0.23 0.00 0.02 0.00 0.00 55.97 57.47 1wfi s LYS 85 Cb -0.11 -1.81 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1wfi s LYS 85 CO -0.13 -2.14 1.08 0.82 -0.92 0.00 0.00 175.35 174.06 1wfi h ILE 86 N -1.50 0.00 0.00 2.17 1.08 -1.07 -3.40 117.51 114.80 1wfi h ILE 86 Ca -0.44 -0.96 -0.18 0.00 -0.39 0.00 0.00 64.86 62.89 1wfi h ILE 86 Cb 1.25 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 1wfi h ILE 86 CO 0.47 0.00 -1.47 0.59 -0.69 0.00 0.00 178.15 177.06 1wfi n ASN 87 N -2.65 1.62 -2.60 1.72 4.13 -1.26 -5.05 115.26 111.17 1wfi n ASN 87 Ca 0.00 0.27 -0.02 0.00 1.68 0.00 0.00 54.58 56.52 1wfi n ASN 87 Cb 0.54 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 -4.09 -1.17 0.00 3.52 5.02 -1.26 -4.95 118.16 115.23 1wfi n LYS 88 Ca -0.26 1.35 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 1wfi n LYS 88 Cb 0.59 -4.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 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 -1.25 0.00 -1.83 1.97 0.00 -1.10 -4.81 117.12 110.10 1wfi n MET 89 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.42 1wfi n MET 89 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.72 1wfi n MET 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1wfi s GLU 90 N -1.26 2.99 -0.25 3.17 -1.05 -1.26 -5.00 118.70 116.04 1wfi s GLU 90 Ca 0.00 0.58 -0.07 0.00 -0.15 0.00 0.00 54.97 55.33 1wfi s GLU 90 Cb 0.00 -2.03 -0.02 0.00 -0.44 0.00 0.00 34.13 31.64 1wfi s GLU 90 CO 0.00 -0.97 0.06 -0.46 0.95 0.00 0.00 175.26 174.85 1wfi s TRP 91 N -3.28 3.08 0.61 4.83 -0.11 -1.26 -4.75 118.94 118.07 1wfi s TRP 91 Ca 0.58 -0.49 -0.16 0.00 1.22 0.00 0.00 56.10 57.24 1wfi s TRP 91 Cb -0.11 -2.23 -0.02 0.00 -1.50 0.00 0.00 33.47 29.60 1wfi s TRP 91 CO 0.53 -0.39 1.09 -1.58 -4.62 0.00 0.00 176.95 171.98 1wfi s TRP 92 N 1.60 2.76 -0.32 5.86 0.52 -1.26 -4.95 118.94 123.15 1wfi s TRP 92 Ca 0.06 1.54 0.08 0.00 0.02 0.00 0.00 56.10 57.80 1wfi s TRP 92 Cb -0.15 -3.13 -0.09 0.00 -1.15 0.00 0.00 33.47 28.95 1wfi s TRP 92 CO 0.03 -1.45 0.31 0.09 0.02 0.00 0.00 176.95 175.95 1wfi n ASN 93 N -2.08 0.82 -3.25 2.95 3.02 -1.26 -5.05 115.26 110.41 1wfi n ASN 93 Ca 0.10 -0.58 -0.12 0.00 -0.03 0.00 0.00 54.58 53.95 1wfi n ASN 93 Cb 0.52 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.73 1wfi n ASN 93 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1wfi s ARG 94 N -1.88 1.97 -0.12 3.52 3.00 -1.26 -5.08 118.95 119.09 1wfi s ARG 94 Ca 0.02 -1.58 -0.09 0.00 0.00 0.00 0.00 55.73 54.08 1wfi s ARG 94 Cb 0.06 0.51 -0.08 0.00 0.00 0.00 0.00 34.95 35.44 1wfi s ARG 94 CO 0.33 -0.86 0.19 1.25 0.00 0.00 0.00 175.30 176.21 1wfi h LEU 95 N 2.09 0.00 -7.97 2.53 7.12 -1.96 -3.46 115.31 113.65 1wfi h LEU 95 Ca -0.29 -0.28 -0.54 0.00 0.13 0.00 0.00 57.88 56.90 1wfi h LEU 95 Cb 1.24 0.00 -0.34 0.00 -0.53 0.00 0.00 40.66 41.03 1wfi h LEU 95 CO 0.38 0.69 -0.82 0.68 -0.13 0.00 0.00 178.44 179.24 1wfi s VAL 96 N -1.82 1.27 0.38 1.05 -7.23 -1.26 -4.45 120.40 108.34 1wfi s VAL 96 Ca -0.07 -0.53 0.27 0.00 -1.81 0.00 0.00 61.98 59.84 1wfi s VAL 96 Cb -0.00 -1.17 0.42 0.00 0.56 0.00 0.00 36.38 36.19 1wfi s VAL 96 CO 0.22 0.39 1.41 0.35 -0.31 0.00 0.00 175.10 177.16 1wfi n THR 97 N 4.05 -0.26 -3.95 5.32 -2.24 0.26 -3.63 114.28 113.83 1wfi n THR 97 Ca -0.20 1.67 -0.28 0.00 -2.27 0.00 0.00 64.05 62.96 1wfi n THR 97 Cb 0.51 -2.73 -0.17 0.00 -2.10 0.00 0.00 70.33 65.85 1wfi n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfi s SER 98 N -4.36 2.53 0.94 3.42 1.04 -1.26 -4.97 113.70 111.05 1wfi s SER 98 Ca -0.07 -0.46 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 1wfi s SER 98 Cb 0.28 -1.00 0.04 0.00 0.10 0.00 0.00 66.02 65.45 1wfi s SER 98 CO 0.73 -0.11 0.47 -0.90 0.98 0.00 0.00 173.24 174.42 1wfi n ASP 99 N 4.85 -1.86 0.00 7.02 5.68 -1.24 -3.90 116.55 127.10 1wfi n ASP 99 Ca -0.14 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1wfi n ASP 99 Cb 0.49 -1.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 1wfi n ASP 99 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1wfi n PRO 100 N -1.90 0.00 0.00 0.11 -0.04 -1.08 -4.73 135.00 127.36 1wfi n PRO 100 Ca 0.07 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1wfi n PRO 100 Cb 0.53 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 -1.61 0.00 -2.41 0.54 1.02 -1.26 -4.93 120.64 111.99 1wfi n GLU 101 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1wfi n GLU 101 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1wfi n GLU 101 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wfi s ILE 102 N -0.45 4.20 0.11 -3.67 1.01 -1.26 -4.99 121.20 116.15 1wfi s ILE 102 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1wfi s ILE 102 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1wfi s ILE 102 CO 0.00 -0.68 0.00 -3.20 0.00 0.00 0.00 174.94 171.06 1wfi n ASN 103 N -2.50 -0.49 -4.42 3.58 5.15 -1.26 -4.85 115.26 110.47 1wfi n ASN 103 Ca 0.03 0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 53.83 1wfi n ASN 103 Cb 0.56 0.62 -0.12 0.00 -0.53 0.00 0.00 39.78 40.32 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wfi s THR 104 N -2.00 4.40 0.08 -0.44 -4.23 -1.26 -3.01 115.64 109.17 1wfi s THR 104 Ca 0.00 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.13 1wfi s THR 104 Cb 0.00 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1wfi s THR 104 CO 0.00 0.11 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.25 1wfi s LYS 105 N 1.58 1.92 0.57 3.99 2.20 -1.26 -5.02 119.74 123.72 1wfi s LYS 105 Ca 0.04 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1wfi s LYS 105 Cb -0.17 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1wfi s LYS 105 CO 0.05 0.51 0.00 1.17 -0.36 0.00 0.00 175.35 176.72 1wfi n LYS 106 N 1.20 -4.05 0.00 4.03 4.81 -1.26 -4.94 118.16 117.95 1wfi n LYS 106 Ca -0.16 3.13 0.00 0.00 -0.87 0.00 0.00 58.31 60.41 1wfi n LYS 106 Cb 0.52 -3.87 0.00 0.00 0.02 0.00 0.00 35.03 31.71 1wfi n LYS 106 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1wfi n ILE 107 N -2.40 0.00 -3.53 3.15 2.08 -1.26 -4.96 119.36 112.43 1wfi n ILE 107 Ca 0.00 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.01 1wfi n ILE 107 Cb 0.42 -0.17 -0.04 0.00 -0.75 0.00 0.00 39.64 39.10 1wfi n ILE 107 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wfi s ASN 108 N -1.00 6.48 -0.06 4.38 -0.87 -1.26 -5.02 114.94 117.59 1wfi s ASN 108 Ca 0.00 0.65 -0.26 0.00 -1.57 0.00 0.00 52.86 51.69 1wfi s ASN 108 Cb 0.00 -2.12 -0.23 0.00 -0.02 0.00 0.00 41.25 38.88 1wfi s ASN 108 CO 0.00 -0.06 1.04 1.55 -2.57 0.00 0.00 177.10 177.06 1wfi h PRO 109 N 2.29 0.10 -2.80 -0.60 0.13 -1.97 -3.42 132.00 125.74 1wfi h PRO 109 Ca -0.47 -0.10 -0.59 0.00 -0.87 0.00 0.00 66.00 63.98 1wfi h PRO 109 Cb 1.18 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 1wfi h PRO 109 CO 0.69 0.82 -0.80 -1.21 -0.23 0.00 0.00 178.00 177.27 1wfi s GLU 110 N -3.25 0.81 -0.35 0.86 2.02 -1.26 -5.06 118.70 112.46 1wfi s GLU 110 Ca -0.17 -1.52 0.02 0.00 0.02 0.00 0.00 54.97 53.33 1wfi s GLU 110 Cb 0.00 -1.71 0.10 0.00 0.10 0.00 0.00 34.13 32.63 1wfi s GLU 110 CO 0.71 -1.17 0.09 1.21 0.02 0.00 0.00 175.26 176.12 1wfi s ASN 111 N 0.90 4.43 0.21 -0.19 2.47 -1.26 -5.09 114.94 116.41 1wfi s ASN 111 Ca 0.17 -2.05 -0.03 0.00 0.42 0.00 0.00 52.86 51.37 1wfi s ASN 111 Cb -0.23 -1.34 -0.03 0.00 -1.45 0.00 0.00 41.25 38.20 1wfi s ASN 111 CO -0.02 -0.38 0.19 -0.94 -3.72 0.00 0.00 177.10 172.23 1wfi s SER 112 N 1.05 0.16 0.09 -4.21 1.04 -1.26 -5.10 113.70 105.47 1wfi s SER 112 Ca 0.11 -1.33 -0.25 0.00 0.48 0.00 0.00 55.95 54.96 1wfi s SER 112 Cb -0.19 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.44 1wfi s SER 112 CO -0.13 -0.90 1.14 -0.54 0.98 0.00 0.00 173.24 173.79 1wfi s LYS 113 N -4.11 0.90 -0.66 4.02 1.02 -1.26 -5.10 119.74 114.55 1wfi s LYS 113 Ca 0.36 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.75 1wfi s LYS 113 Cb 0.06 0.26 0.17 0.00 -0.52 0.00 0.00 37.83 37.80 1wfi s LYS 113 CO 0.12 -0.42 0.49 -0.51 -0.92 0.00 0.00 175.35 174.11 1wfi s LEU 114 N -3.41 5.39 -0.79 3.17 1.43 -1.26 -4.98 118.68 118.24 1wfi s LEU 114 Ca 0.22 -2.90 0.02 0.00 -1.03 0.00 0.00 54.13 50.44 1wfi s LEU 114 Cb -0.01 -1.89 0.19 0.00 0.03 0.00 0.00 46.19 44.52 1wfi s LEU 114 CO 0.02 -0.38 0.63 -1.54 0.23 0.00 0.00 176.35 175.31 1wfi n SER 115 N 3.45 3.55 -3.72 2.29 3.41 -1.26 -4.97 113.62 116.37 1wfi n SER 115 Ca 0.09 -3.20 -0.29 0.00 -0.26 0.00 0.00 58.87 55.21 1wfi n SER 115 Cb 0.39 -0.87 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 1wfi n SER 115 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wfi s ASP 116 N -1.01 3.67 0.19 4.04 1.01 -1.26 -5.10 116.67 118.21 1wfi s ASP 116 Ca 0.27 -2.65 0.08 0.00 0.71 0.00 0.00 52.55 50.96 1wfi s ASP 116 Cb -0.04 -1.06 -0.04 0.00 1.01 0.00 0.00 42.92 42.79 1wfi s ASP 116 CO -0.15 -0.26 -0.01 -1.48 0.21 0.00 0.00 175.17 173.48 1wfi s LEU 117 N 0.32 3.26 0.00 1.23 0.05 -1.26 -5.12 118.68 117.16 1wfi s LEU 117 Ca 0.18 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 53.91 1wfi s LEU 117 Cb -0.24 -1.90 0.00 0.00 -2.05 0.00 0.00 46.19 42.00 1wfi s LEU 117 CO 0.00 0.08 0.00 -0.67 -0.55 0.00 0.00 176.35 175.21 1wfi n ASP 118 N -0.20 0.00 0.00 1.48 2.03 -1.26 -5.18 116.55 113.42 1wfi n ASP 118 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1wfi n ASP 118 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1wfi n ASP 118 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wfi n SER 119 N 0.00 0.00 0.00 1.67 7.64 -1.26 -5.18 113.62 116.49 1wfi n SER 119 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wfi n SER 119 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.07 -4.45 1.43 0.28 -1.26 -5.18 120.64 114.53 1wfi n GLU 120 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1wfi n GLU 120 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 1wfi n GLU 120 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1wfi s THR 121 N 2.22 0.59 0.18 3.84 -4.23 -1.26 -5.17 115.64 111.81 1wfi s THR 121 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1wfi s THR 121 Cb 0.00 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1wfi s THR 121 CO 0.00 0.00 -0.15 -0.60 -0.54 0.00 0.00 174.62 173.33 1wfi s ARG 122 N -3.75 1.27 0.00 3.99 3.00 -1.26 -5.15 118.95 117.05 1wfi s ARG 122 Ca 0.29 -1.49 0.00 0.00 -1.00 0.00 0.00 55.73 53.53 1wfi s ARG 122 Cb 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 34.95 33.86 1wfi s ARG 122 CO 0.16 0.20 0.00 0.43 0.00 0.00 0.00 175.30 176.09 1wfi n SER 123 N -0.08 0.00 -4.79 -2.12 7.64 -1.26 -5.18 113.62 107.83 1wfi n SER 123 Ca -0.10 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.53 1wfi n SER 123 Cb 0.59 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 1wfi n SER 123 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1wfi s MET 124 N -2.00 2.28 -0.24 1.43 1.75 -1.26 -5.14 119.30 116.12 1wfi s MET 124 Ca 0.00 -1.86 -0.05 0.00 -1.25 0.00 0.00 55.69 52.53 1wfi s MET 124 Cb 0.00 -2.03 0.13 0.00 2.84 0.00 0.00 34.83 35.76 1wfi s MET 124 CO 0.00 -0.23 0.46 0.54 -0.65 0.00 0.00 175.02 175.14 1wfi s VAL 125 N -2.63 -0.74 0.20 10.11 0.11 -1.26 -5.16 120.40 121.04 1wfi s VAL 125 Ca 0.39 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1wfi s VAL 125 Cb 0.02 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1wfi s VAL 125 CO 0.22 -0.01 0.37 -0.94 -3.33 0.00 0.00 175.10 171.41 1wfi s SER 126 N 2.67 6.37 -0.21 3.54 1.04 -1.26 -5.10 113.70 120.75 1wfi s SER 126 Ca 0.06 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 1wfi s SER 126 Cb -0.14 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1wfi s SER 126 CO -0.16 -0.03 -0.10 -0.83 0.98 0.00 0.00 173.24 173.10 1wfi s GLY 127 N -3.28 1.53 1.08 7.32 0.00 -1.26 -5.12 107.32 107.61 1wfi s GLY 127 Ca 0.37 -1.21 -0.18 0.00 0.00 0.00 0.00 44.72 43.71 1wfi s GLY 127 CO 0.29 0.39 1.22 2.56 0.00 0.00 0.00 173.10 177.56 1wfi s PRO 128 N 1.40 -0.32 0.44 2.90 0.04 -1.26 -5.10 135.00 133.10 1wfi s PRO 128 Ca 0.05 -0.26 0.05 0.00 0.04 0.00 0.00 61.00 60.88 1wfi s PRO 128 Cb -0.14 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1wfi s PRO 128 CO -0.07 -3.08 0.01 0.45 0.04 0.00 0.00 177.00 174.36 1wfi s SER 129 N -4.42 3.90 0.30 6.66 0.15 -1.26 -5.16 113.70 113.86 1wfi s SER 129 Ca 0.73 -1.45 0.02 0.00 0.70 0.00 0.00 55.95 55.95 1wfi s SER 129 Cb -0.06 -0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1wfi s SER 129 CO 0.54 -0.57 0.10 -0.55 1.20 0.00 0.00 173.24 173.96 1wfi s SER 130 N -3.75 1.71 0.00 5.45 0.15 -1.26 -5.36 113.70 110.64 1wfi s SER 130 Ca 0.27 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.47 1wfi s SER 130 Cb 0.08 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wfi s SER 130 CO 0.14 -0.76 0.04 0.61 1.20 0.00 0.00 173.24 174.47