#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 6.36 1.07 1.61 0.01 -1.26 -4.98 113.70 116.51 1wfi s SER 2 Ca 0.00 -1.22 -0.18 0.00 1.31 0.00 0.00 55.95 55.86 1wfi s SER 2 Cb 0.00 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.73 1wfi s SER 2 CO 0.00 -1.64 -0.02 -1.20 0.41 0.00 0.00 173.24 170.79 1wfi n SER 3 N 9.28 -2.45 -4.26 2.44 7.64 -1.26 -5.03 113.62 119.98 1wfi n SER 3 Ca 0.28 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 1wfi n SER 3 Cb 0.50 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.62 1wfi n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfi s GLY 4 N -1.81 1.52 -0.15 0.23 0.00 -1.26 -5.15 107.32 100.70 1wfi s GLY 4 Ca 0.54 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1wfi s GLY 4 CO 0.67 -1.51 -0.06 -1.35 0.00 0.00 0.00 173.10 170.86 1wfi s SER 5 N -3.23 2.60 -0.77 1.64 1.04 -1.26 -5.06 113.70 108.66 1wfi s SER 5 Ca 0.35 -0.54 -0.36 0.00 0.48 0.00 0.00 55.95 55.88 1wfi s SER 5 Cb 0.07 -0.87 -0.20 0.00 0.10 0.00 0.00 66.02 65.12 1wfi s SER 5 CO 0.11 -0.17 2.45 -0.24 0.98 0.00 0.00 173.24 176.37 1wfi n SER 6 N 4.91 0.56 -0.90 7.02 2.88 -1.26 -4.82 113.62 122.01 1wfi n SER 6 Ca -0.12 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wfi n SER 6 Cb 0.48 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1wfi n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfi n GLY 7 N 6.90 3.83 0.00 0.46 0.00 -1.26 -5.16 105.19 109.97 1wfi n GLY 7 Ca 0.60 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1wfi n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfi n PRO 8 N 0.00 0.55 -0.98 1.61 -0.04 -1.26 -4.94 135.00 129.94 1wfi n PRO 8 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1wfi n PRO 8 Cb 0.00 0.00 0.35 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.90 5.23 -3.93 3.54 5.15 -1.26 -4.92 115.26 118.16 1wfi n ASN 9 Ca 0.00 -3.10 -0.09 0.00 -0.60 0.00 0.00 54.58 50.79 1wfi n ASN 9 Cb 0.00 -0.73 -0.07 0.00 -0.53 0.00 0.00 39.78 38.45 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1wfi s TYR 10 N -2.89 0.32 -0.03 1.20 -0.85 -1.26 -4.85 117.35 109.00 1wfi s TYR 10 Ca 0.55 -0.71 -0.11 0.00 -0.52 0.00 0.00 57.07 56.28 1wfi s TYR 10 Cb 0.43 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1wfi s TYR 10 CO 0.15 -0.65 0.31 1.03 -1.52 0.00 0.00 175.55 174.87 1wfi s ARG 11 N -3.93 3.72 -0.17 -3.49 0.52 -1.04 -4.98 118.95 109.58 1wfi s ARG 11 Ca 0.13 0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 1wfi s ARG 11 Cb 0.04 -3.17 0.05 0.00 0.52 0.00 0.00 34.95 32.38 1wfi s ARG 11 CO -0.04 0.70 0.49 1.67 0.02 0.00 0.00 175.30 178.14 1wfi s TRP 12 N -1.12 -0.52 0.00 -0.53 1.48 -1.26 -0.65 118.94 116.34 1wfi s TRP 12 Ca 0.22 1.25 0.00 0.00 -1.06 0.00 0.00 56.10 56.52 1wfi s TRP 12 Cb -0.15 0.19 0.00 0.00 -1.16 0.00 0.00 33.47 32.35 1wfi s TRP 12 CO 0.11 -0.28 0.00 0.25 -4.06 0.00 0.00 176.95 172.98 1wfi n THR 13 N 2.67 0.00 -3.63 0.66 -2.24 0.16 -4.96 114.28 106.93 1wfi n THR 13 Ca -0.14 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1wfi n THR 13 Cb 0.57 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.56 0.14 -0.50 -0.78 0.00 -1.26 -2.16 119.66 114.54 1wfi s GLN 14 Ca 0.00 0.04 0.07 0.00 -0.00 0.00 0.00 55.36 55.47 1wfi s GLN 14 Cb 0.00 0.07 0.35 0.00 0.00 0.00 0.00 33.01 33.43 1wfi s GLN 14 CO 0.00 -0.04 0.89 -2.37 0.00 0.00 0.00 175.29 173.76 1wfi n THR 15 N 0.57 2.01 -2.48 3.63 5.66 -0.38 -4.89 114.28 118.40 1wfi n THR 15 Ca -0.02 -5.21 -0.02 0.00 -3.05 0.00 0.00 64.05 55.76 1wfi n THR 15 Cb 0.59 -1.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.36 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 -0.09 -0.19 0.00 1.09 7.99 -1.26 -4.13 117.00 120.40 1wfi n LEU 16 Ca 0.29 0.45 0.00 0.00 -0.01 0.00 0.00 56.01 56.74 1wfi n LEU 16 Cb 0.49 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 1wfi n LEU 16 CO 0.30 -0.02 0.00 0.00 -1.51 0.00 0.00 177.39 176.16 1wfi n ALA 17 N -2.44 0.00 -2.02 -1.18 0.00 -1.26 -3.80 120.51 109.81 1wfi n ALA 17 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1wfi n ALA 17 Cb 0.52 0.00 -0.03 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 0.00 3.83 -0.11 0.00 2.02 -1.26 -2.28 118.70 120.91 1wfi s GLU 18 Ca 0.00 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.71 1wfi s GLU 18 Cb 0.00 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.98 1wfi s GLU 18 CO 0.00 -0.18 -0.21 -0.51 0.02 0.00 0.00 175.26 174.39 1wfi s LEU 19 N -4.06 1.98 -0.04 1.80 1.43 0.53 -1.25 118.68 119.06 1wfi s LEU 19 Ca 0.55 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1wfi s LEU 19 Cb -0.10 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1wfi s LEU 19 CO 0.33 0.10 0.08 -1.81 0.23 0.00 0.00 176.35 175.28 1wfi s ASP 20 N 0.61 5.72 -0.10 2.29 1.11 -0.92 -0.97 116.67 124.41 1wfi s ASP 20 Ca -0.13 0.20 -0.14 0.00 0.18 0.00 0.00 52.55 52.66 1wfi s ASP 20 Cb -0.17 -1.68 0.03 0.00 1.07 0.00 0.00 42.92 42.18 1wfi s ASP 20 CO 0.04 0.32 0.36 -0.22 1.18 0.00 0.00 175.17 176.85 1wfi s LEU 21 N -1.45 0.62 -0.10 1.23 2.96 -0.24 0.37 118.68 122.07 1wfi s LEU 21 Ca 0.20 0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 1wfi s LEU 21 Cb -0.12 1.31 0.05 0.00 0.50 0.00 0.00 46.19 47.93 1wfi s LEU 21 CO 0.10 -0.24 0.20 0.00 -1.32 0.00 0.00 176.35 175.10 1wfi s ALA 22 N -0.29 -0.36 -0.31 5.97 0.00 0.18 0.28 121.76 127.22 1wfi s ALA 22 Ca -0.04 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1wfi s ALA 22 Cb -0.03 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.43 1wfi s ALA 22 CO 0.02 -0.42 0.03 0.08 0.00 0.00 0.00 175.76 175.47 1wfi s VAL 23 N 1.87 1.86 0.50 0.00 1.01 0.28 -2.48 120.40 123.43 1wfi s VAL 23 Ca -0.03 -1.91 -0.20 0.00 0.00 0.00 0.00 61.98 59.85 1wfi s VAL 23 Cb -0.12 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 1wfi s VAL 23 CO -0.07 -0.49 1.04 -2.16 0.00 0.00 0.00 175.10 173.42 1wfi s PRO 24 N 1.15 3.75 -0.03 2.72 0.04 -1.26 -0.47 135.00 140.90 1wfi s PRO 24 Ca 0.06 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1wfi s PRO 24 Cb -0.19 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1wfi s PRO 24 CO -0.11 -0.47 -0.06 -0.06 0.04 0.00 0.00 177.00 176.33 1wfi s PHE 25 N -2.05 0.74 -1.08 0.56 0.08 -0.19 -4.92 117.98 111.13 1wfi s PHE 25 Ca 0.67 -0.18 -0.23 0.00 0.12 0.00 0.00 56.93 57.31 1wfi s PHE 25 Cb -0.16 -0.57 -0.06 0.00 -0.57 0.00 0.00 43.02 41.66 1wfi s PHE 25 CO 0.22 -0.10 1.91 1.03 -0.10 0.00 0.00 175.22 178.18 1wfi s ARG 26 N 0.36 2.62 0.13 0.44 0.52 -1.26 -4.77 118.95 116.99 1wfi s ARG 26 Ca -0.05 -0.88 0.06 0.00 -0.52 0.00 0.00 55.73 54.33 1wfi s ARG 26 Cb -0.09 -5.19 -0.04 0.00 0.52 0.00 0.00 34.95 30.15 1wfi s ARG 26 CO 0.00 -3.62 -0.13 0.14 0.02 0.00 0.00 175.30 171.71 1wfi s VAL 27 N 10.16 1.28 -1.13 3.52 -7.23 -1.26 -5.03 120.40 120.71 1wfi s VAL 27 Ca 0.68 -1.78 0.14 0.00 -1.81 0.00 0.00 61.98 59.21 1wfi s VAL 27 Cb -0.03 -1.58 0.42 0.00 0.56 0.00 0.00 36.38 35.76 1wfi s VAL 27 CO 0.07 -0.49 1.35 -0.24 -0.31 0.00 0.00 175.10 175.48 1wfi n SER 28 N 0.38 3.34 -4.05 4.85 2.88 -1.26 -4.98 113.62 114.78 1wfi n SER 28 Ca -0.14 -2.10 -0.09 0.00 -1.33 0.00 0.00 58.87 55.21 1wfi n SER 28 Cb 0.58 -0.33 -0.09 0.00 -0.75 0.00 0.00 64.21 63.62 1wfi n SER 28 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1wfi s PHE 29 N -1.17 0.62 -0.71 0.66 -0.12 -1.26 -5.09 117.98 110.90 1wfi s PHE 29 Ca 0.32 -0.99 -0.26 0.00 -0.05 0.00 0.00 56.93 55.94 1wfi s PHE 29 Cb 0.18 -0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.30 1wfi s PHE 29 CO 0.20 -0.61 1.56 0.50 -0.05 0.00 0.00 175.22 176.82 1wfi s ARG 30 N -4.00 2.95 0.01 1.99 3.52 -1.24 -4.65 118.95 117.53 1wfi s ARG 30 Ca 0.20 0.05 -0.37 0.00 -0.13 0.00 0.00 55.73 55.48 1wfi s ARG 30 Cb 0.05 -4.38 -0.16 0.00 -1.56 0.00 0.00 34.95 28.90 1wfi s ARG 30 CO 0.00 -2.46 1.48 1.28 -0.81 0.00 0.00 175.30 174.80 1wfi n LEU 31 N 10.97 2.08 -4.92 -0.88 4.77 -1.06 -4.94 117.00 123.03 1wfi n LEU 31 Ca 0.14 1.10 -0.27 0.00 -0.03 0.00 0.00 56.01 56.95 1wfi n LEU 31 Cb 0.50 -1.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1wfi n LEU 31 CO 0.70 -0.77 0.56 -0.54 -1.33 0.00 0.00 177.39 176.02 1wfi s LYS 32 N 1.36 2.83 0.09 3.23 -0.14 -1.26 -4.87 119.74 120.98 1wfi s LYS 32 Ca 0.87 0.01 0.25 0.00 -1.36 0.00 0.00 55.97 55.75 1wfi s LYS 32 Cb -0.93 -2.23 0.99 0.00 -1.68 0.00 0.00 37.83 33.98 1wfi s LYS 32 CO 0.50 -0.79 1.79 0.41 -0.76 0.00 0.00 175.35 176.50 1wfi n GLY 33 N -2.66 -1.46 1.26 -3.33 0.00 -1.26 -2.46 105.19 95.28 1wfi n GLY 33 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.80 2.99 -0.34 1.61 2.85 -1.26 -3.71 118.16 118.50 1wfi n LYS 34 Ca 0.06 -2.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.10 1wfi n LYS 34 Cb 0.33 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.91 0.00 -4.55 -5.58 8.00 -1.03 -5.02 116.55 109.29 1wfi n ASP 35 Ca 0.20 -1.64 -0.26 0.00 0.71 0.00 0.00 54.79 53.80 1wfi n ASP 35 Cb 0.68 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.00 1.98 -0.08 2.53 1.01 -1.19 -2.61 120.40 122.04 1wfi s VAL 36 Ca 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 61.98 59.84 1wfi s VAL 36 Cb 0.00 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1wfi s VAL 36 CO 0.00 -0.13 0.12 0.68 0.00 0.00 0.00 175.10 175.77 1wfi s VAL 37 N -2.76 -0.19 -0.33 2.92 -7.23 0.05 -4.38 120.40 108.48 1wfi s VAL 37 Ca 0.33 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.81 1wfi s VAL 37 Cb 0.06 -0.28 0.13 0.00 0.56 0.00 0.00 36.38 36.85 1wfi s VAL 37 CO 0.16 0.10 0.20 -0.69 -0.31 0.00 0.00 175.10 174.57 1wfi s VAL 38 N 2.23 0.05 -0.96 1.32 1.01 -1.24 0.20 120.40 123.01 1wfi s VAL 38 Ca 0.04 -1.40 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 1wfi s VAL 38 Cb -0.13 -1.05 0.18 0.00 0.00 0.00 0.00 36.38 35.38 1wfi s VAL 38 CO -0.05 -0.89 1.06 -0.62 0.00 0.00 0.00 175.10 174.60 1wfi s ASP 39 N 1.38 6.82 -0.92 3.32 2.15 0.39 -4.93 116.67 124.89 1wfi s ASP 39 Ca 0.15 -2.58 -0.20 0.00 0.43 0.00 0.00 52.55 50.36 1wfi s ASP 39 Cb -0.21 -2.32 0.11 0.00 -0.30 0.00 0.00 42.92 40.20 1wfi s ASP 39 CO -0.10 -0.77 1.18 -0.63 -0.17 0.00 0.00 175.17 174.68 1wfi s ILE 40 N 1.27 4.50 0.61 4.11 1.01 -1.26 -0.14 121.20 131.31 1wfi s ILE 40 Ca 0.30 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1wfi s ILE 40 Cb -0.07 -4.83 0.07 0.00 0.01 0.00 0.00 42.46 37.64 1wfi s ILE 40 CO -0.08 -1.60 0.86 -1.10 0.00 0.00 0.00 174.94 173.03 1wfi s GLN 41 N 3.35 2.24 0.05 2.79 -1.52 0.27 -4.77 119.66 122.08 1wfi s GLN 41 Ca 0.34 -0.87 -0.22 0.00 -1.95 0.00 0.00 55.36 52.66 1wfi s GLN 41 Cb -0.05 -2.42 -0.14 0.00 -0.22 0.00 0.00 33.01 30.18 1wfi s GLN 41 CO -0.07 -0.98 1.50 -0.09 -0.25 0.00 0.00 175.29 175.40 1wfi h ARG 42 N -0.16 0.18 -0.76 2.91 9.65 -1.95 -3.30 114.38 120.95 1wfi h ARG 42 Ca -0.40 -0.05 -0.48 0.00 -1.10 0.00 0.00 59.98 57.94 1wfi h ARG 42 Cb 1.29 -0.02 -0.42 0.00 -1.39 0.00 0.00 29.97 29.43 1wfi h ARG 42 CO 0.49 0.40 -0.88 -2.13 2.80 0.00 0.00 179.97 180.64 1wfi n ARG 43 N -4.84 3.14 -3.62 0.20 0.63 -1.26 -1.03 116.66 109.88 1wfi n ARG 43 Ca -0.06 -4.04 -0.07 0.00 -0.92 0.00 0.00 57.85 52.76 1wfi n ARG 43 Cb 0.18 -2.11 -0.06 0.00 0.45 0.00 0.00 32.46 30.92 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 -3.62 -0.29 -0.06 -0.14 2.46 -1.24 -3.35 115.29 109.05 1wfi s HIS 44 Ca 0.45 0.62 -0.02 0.00 0.47 0.00 0.00 55.06 56.58 1wfi s HIS 44 Cb 0.39 0.43 0.03 0.00 -0.13 0.00 0.00 32.58 33.31 1wfi s HIS 44 CO 0.00 -0.20 0.04 -1.17 -2.47 0.00 0.00 174.74 170.95 1wfi s LEU 45 N -0.45 0.30 -0.49 8.88 0.20 -1.17 0.98 118.68 126.94 1wfi s LEU 45 Ca 0.03 -0.00 0.03 0.00 0.69 0.00 0.00 54.13 54.88 1wfi s LEU 45 Cb -0.03 -0.24 0.13 0.00 -0.43 0.00 0.00 46.19 45.62 1wfi s LEU 45 CO -0.06 -0.24 0.25 -0.60 -0.29 0.00 0.00 176.35 175.42 1wfi s ARG 46 N 2.10 1.69 -0.20 1.98 3.52 0.80 -2.67 118.95 126.17 1wfi s ARG 46 Ca 0.05 -2.37 -0.05 0.00 -0.13 0.00 0.00 55.73 53.23 1wfi s ARG 46 Cb -0.12 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1wfi s ARG 46 CO -0.04 -1.14 -0.01 0.08 -0.81 0.00 0.00 175.30 173.39 1wfi s VAL 47 N -0.04 3.86 0.00 7.11 1.01 -0.41 0.15 120.40 132.08 1wfi s VAL 47 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1wfi s VAL 47 Cb -0.25 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1wfi s VAL 47 CO -0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1wfi n GLY 48 N 4.27 2.90 3.10 4.51 0.00 0.54 0.08 105.19 120.58 1wfi n GLY 48 Ca -0.17 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 1.82 -0.42 0.99 1.43 -1.26 -0.77 118.68 120.47 1wfi s LEU 49 Ca 0.00 -0.43 -0.43 0.00 -1.03 0.00 0.00 54.13 52.23 1wfi s LEU 49 Cb 0.00 -1.11 -0.18 0.00 0.03 0.00 0.00 46.19 44.93 1wfi s LEU 49 CO 0.00 0.06 1.81 0.29 0.23 0.00 0.00 176.35 178.74 1wfi n LYS 50 N 3.90 0.45 0.00 1.70 5.02 -1.07 0.21 118.16 128.36 1wfi n LYS 50 Ca -0.20 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1wfi n LYS 50 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wfi n GLY 51 N 5.00 2.79 3.94 0.72 0.00 -1.26 -4.93 105.19 111.45 1wfi n GLY 51 Ca 0.35 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 2.42 0.38 1.61 -1.52 0.58 -5.06 119.66 118.07 1wfi s GLN 52 Ca 0.00 -0.35 -0.25 0.00 -1.95 0.00 0.00 55.36 52.81 1wfi s GLN 52 Cb 0.00 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 1wfi s GLN 52 CO 0.00 -1.00 1.06 -1.25 -0.25 0.00 0.00 175.29 173.85 1wfi s PRO 53 N -5.07 4.23 -0.03 2.91 0.04 -1.26 -4.18 135.00 131.64 1wfi s PRO 53 Ca 0.58 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1wfi s PRO 53 Cb -0.11 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1wfi s PRO 53 CO 0.43 -0.10 1.20 -1.25 0.04 0.00 0.00 177.00 177.33 1wfi s PRO 54 N -2.34 4.37 0.14 0.56 0.04 -1.26 -4.13 135.00 132.37 1wfi s PRO 54 Ca 0.56 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 1wfi s PRO 54 Cb -0.24 -3.51 -0.06 0.00 0.04 0.00 0.00 34.50 30.74 1wfi s PRO 54 CO 0.30 -0.40 1.39 0.28 0.04 0.00 0.00 177.00 178.61 1wfi h VAL 55 N 4.90 1.29 -3.39 -0.36 2.07 -0.72 -3.42 116.25 116.61 1wfi h VAL 55 Ca -0.36 -1.86 -0.64 0.00 0.82 0.00 0.00 66.70 64.65 1wfi h VAL 55 Cb 1.17 1.82 -0.23 0.00 -1.52 0.00 0.00 31.29 32.53 1wfi h VAL 55 CO 0.86 0.59 -0.67 -0.69 0.02 0.00 0.00 177.57 177.68 1wfi s VAL 56 N -3.93 3.84 -0.29 2.57 1.01 -0.30 -4.83 120.40 118.46 1wfi s VAL 56 Ca -0.09 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1wfi s VAL 56 Cb 0.10 -2.72 0.13 0.00 0.00 0.00 0.00 36.38 33.89 1wfi s VAL 56 CO 0.88 0.45 0.80 -0.62 0.00 0.00 0.00 175.10 176.61 1wfi s ASP 57 N 0.85 -0.85 0.00 3.32 2.15 -1.09 -1.28 116.67 119.77 1wfi s ASP 57 Ca -0.00 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1wfi s ASP 57 Cb -0.14 1.78 0.00 0.00 -0.30 0.00 0.00 42.92 44.25 1wfi s ASP 57 CO 0.02 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1wfi n GLY 58 N 4.82 3.80 3.63 2.66 0.00 -1.23 -3.24 105.19 115.63 1wfi n GLY 58 Ca -0.14 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.54 3.79 1.02 1.61 2.12 -1.26 -3.03 118.70 120.41 1wfi s GLU 59 Ca 0.00 1.64 -0.17 0.00 0.36 0.00 0.00 54.97 56.81 1wfi s GLU 59 Cb 0.00 -4.03 0.01 0.00 0.26 0.00 0.00 34.13 30.37 1wfi s GLU 59 CO 0.00 -1.30 -0.09 1.28 -0.54 0.00 0.00 175.26 174.61 1wfi n LEU 60 N 8.46 -2.01 -0.08 2.70 4.77 -1.21 -0.30 117.00 129.32 1wfi n LEU 60 Ca 0.19 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1wfi n LEU 60 Cb 0.45 -0.99 0.26 0.00 -2.33 0.00 0.00 43.42 40.81 1wfi n LEU 60 CO 0.65 -3.67 0.99 0.22 -1.33 0.00 0.00 177.39 174.25 1wfi h TYR 61 N -1.61 0.71 -2.87 -1.77 5.03 -1.76 -3.40 116.97 111.30 1wfi h TYR 61 Ca -0.47 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 60.81 1wfi h TYR 61 Cb 1.32 -0.21 -0.12 0.00 1.55 0.00 0.00 36.73 39.27 1wfi h TYR 61 CO 0.25 0.60 0.26 1.21 -1.32 0.00 0.00 178.16 179.17 1wfi s ASN 62 N -6.63 -0.49 0.36 -2.11 3.84 -1.26 -5.03 114.94 103.62 1wfi s ASN 62 Ca -0.09 -0.09 -0.26 0.00 0.21 0.00 0.00 52.86 52.64 1wfi s ASN 62 Cb 0.16 0.58 -0.12 0.00 -0.55 0.00 0.00 41.25 41.31 1wfi s ASN 62 CO 0.78 -0.96 0.97 -0.62 -2.79 0.00 0.00 177.10 174.48 1wfi n GLU 63 N -0.37 1.29 -3.97 0.43 1.02 -1.25 -4.77 120.64 113.01 1wfi n GLU 63 Ca -0.14 0.46 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1wfi n GLU 63 Cb 0.64 -1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.19 0.17 -0.45 2.62 -7.23 -0.20 -3.19 120.40 110.93 1wfi s VAL 64 Ca 0.61 -0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 60.46 1wfi s VAL 64 Cb -0.63 -0.17 -0.07 0.00 0.56 0.00 0.00 36.38 36.08 1wfi s VAL 64 CO 0.59 0.07 2.39 -0.75 -0.31 0.00 0.00 175.10 177.08 1wfi s LYS 65 N 0.16 2.25 0.12 4.82 2.20 0.36 -4.36 119.74 125.28 1wfi s LYS 65 Ca -0.01 1.52 -0.08 0.00 -0.36 0.00 0.00 55.97 57.03 1wfi s LYS 65 Cb -0.03 -4.56 -0.12 0.00 -1.51 0.00 0.00 37.83 31.61 1wfi s LYS 65 CO -0.00 -3.11 1.29 -0.39 -0.36 0.00 0.00 175.35 172.78 1wfi h VAL 66 N 7.62 1.34 0.00 4.02 -1.51 -1.86 -2.52 116.25 123.35 1wfi h VAL 66 Ca -0.27 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 62.93 1wfi h VAL 66 Cb 1.26 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 1wfi h VAL 66 CO 1.13 0.69 0.04 -0.33 -1.23 0.00 0.00 177.57 177.87 1wfi h GLU 67 N 0.33 0.00 0.00 5.19 5.08 -1.91 0.43 114.58 123.71 1wfi h GLU 67 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wfi h GLU 67 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1wfi h GLU 67 CO 0.17 0.00 -0.81 0.39 -1.00 0.00 0.00 179.01 177.76 1wfi n GLU 68 N -2.36 1.99 -0.46 2.33 -0.58 -1.10 -5.01 120.64 115.46 1wfi n GLU 68 Ca -0.02 -0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.42 1wfi n GLU 68 Cb 0.08 -1.21 0.25 0.00 -0.57 0.00 0.00 31.44 30.00 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfi n SER 69 N -1.43 -2.36 -3.65 1.62 3.41 0.15 -4.87 113.62 106.49 1wfi n SER 69 Ca 0.02 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1wfi n SER 69 Cb 0.25 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 62.99 1wfi n SER 69 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfi s SER 70 N -2.36 -0.08 0.16 4.04 1.04 -0.88 -4.98 113.70 110.64 1wfi s SER 70 Ca 0.65 0.13 0.06 0.00 0.48 0.00 0.00 55.95 57.27 1wfi s SER 70 Cb -0.21 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1wfi s SER 70 CO 0.64 -0.02 -0.12 -1.66 0.98 0.00 0.00 173.24 173.06 1wfi s TRP 71 N 0.70 1.41 -0.04 5.02 1.48 -1.26 0.44 118.94 126.68 1wfi s TRP 71 Ca -0.03 -0.68 -0.30 0.00 -1.06 0.00 0.00 56.10 54.03 1wfi s TRP 71 Cb -0.03 -0.69 0.07 0.00 -1.16 0.00 0.00 33.47 31.66 1wfi s TRP 71 CO -0.12 0.17 0.69 -0.48 -4.06 0.00 0.00 176.95 173.15 1wfi s LEU 72 N -3.12 -0.64 -0.50 -4.66 0.05 0.17 -4.97 118.68 105.02 1wfi s LEU 72 Ca 0.17 0.66 -0.21 0.00 0.05 0.00 0.00 54.13 54.80 1wfi s LEU 72 Cb 0.01 2.51 0.04 0.00 -2.05 0.00 0.00 46.19 46.70 1wfi s LEU 72 CO 0.03 -0.62 0.71 -0.63 -0.55 0.00 0.00 176.35 175.28 1wfi s ILE 73 N -1.34 4.75 0.08 1.48 1.01 -1.26 0.71 121.20 126.62 1wfi s ILE 73 Ca -0.10 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1wfi s ILE 73 Cb -0.00 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1wfi s ILE 73 CO 0.08 -0.82 1.14 -1.61 0.00 0.00 0.00 174.94 173.73 1wfi s GLU 74 N 2.99 4.49 -0.42 2.79 2.02 0.30 -3.09 118.70 127.79 1wfi s GLU 74 Ca 0.21 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.90 1wfi s GLU 74 Cb -0.16 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1wfi s GLU 74 CO 0.16 -0.14 0.00 -0.25 0.02 0.00 0.00 175.26 175.05 1wfi n ASP 75 N 3.52 -1.84 -3.53 -0.19 9.92 -1.26 0.19 116.55 123.35 1wfi n ASP 75 Ca 0.07 0.31 -0.23 0.00 -0.53 0.00 0.00 54.79 54.41 1wfi n ASP 75 Cb 0.47 -1.75 -0.03 0.00 -0.64 0.00 0.00 41.12 39.17 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 -0.47 -0.46 0.00 0.44 0.00 -1.18 -4.66 105.19 98.86 1wfi n GLY 76 Ca -0.05 0.06 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 -3.48 0.11 -4.26 1.61 2.85 0.13 -2.56 118.16 112.56 1wfi n LYS 77 Ca 0.04 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.08 1wfi n LYS 77 Cb 0.50 -0.86 -0.12 0.00 -0.65 0.00 0.00 35.03 33.90 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 -1.71 1.54 -0.19 0.58 -7.23 -0.80 -1.02 120.40 111.57 1wfi s VAL 78 Ca 0.00 -1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 1wfi s VAL 78 Cb 0.00 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1wfi s VAL 78 CO 0.00 -0.20 0.04 -0.69 -0.31 0.00 0.00 175.10 173.94 1wfi s VAL 79 N -1.50 4.48 0.01 1.32 1.01 0.39 0.11 120.40 126.21 1wfi s VAL 79 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1wfi s VAL 79 Cb -0.08 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1wfi s VAL 79 CO 0.04 0.45 0.03 0.42 0.00 0.00 0.00 175.10 176.03 1wfi s THR 80 N 0.58 4.32 0.02 3.92 -4.23 0.22 0.98 115.64 121.45 1wfi s THR 80 Ca 0.02 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1wfi s THR 80 Cb -0.13 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1wfi s THR 80 CO 0.02 0.35 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.63 1wfi s VAL 81 N -1.14 0.93 -0.24 2.29 1.01 0.14 -0.66 120.40 122.74 1wfi s VAL 81 Ca 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1wfi s VAL 81 Cb -0.12 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.50 1wfi s VAL 81 CO 0.12 0.09 -0.02 -2.28 0.00 0.00 0.00 175.10 173.01 1wfi s HIS 82 N -0.59 2.21 0.19 5.22 2.46 0.17 -1.08 115.29 123.87 1wfi s HIS 82 Ca 0.02 -1.70 0.02 0.00 0.47 0.00 0.00 55.06 53.87 1wfi s HIS 82 Cb -0.06 -1.59 -0.04 0.00 -0.13 0.00 0.00 32.58 30.76 1wfi s HIS 82 CO 0.00 -0.77 0.34 -0.51 -2.47 0.00 0.00 174.74 171.33 1wfi s LEU 83 N 1.45 4.30 -0.12 8.88 2.01 -0.14 -2.08 118.68 132.99 1wfi s LEU 83 Ca -0.03 0.21 0.01 0.00 0.01 0.00 0.00 54.13 54.33 1wfi s LEU 83 Cb -0.18 -2.97 0.02 0.00 0.01 0.00 0.00 46.19 43.07 1wfi s LEU 83 CO -0.08 -0.01 -0.13 -0.70 1.01 0.00 0.00 176.35 176.44 1wfi s GLU 84 N -3.48 2.03 0.53 1.70 2.56 -1.26 -0.35 118.70 120.44 1wfi s GLU 84 Ca 0.35 -0.48 -0.20 0.00 0.00 0.00 0.00 54.97 54.65 1wfi s GLU 84 Cb -0.10 -1.84 -0.07 0.00 2.00 0.00 0.00 34.13 34.12 1wfi s GLU 84 CO 0.29 -0.15 1.10 0.15 -0.56 0.00 0.00 175.26 176.09 1wfi s LYS 85 N 1.27 3.50 -0.02 4.30 1.02 -0.97 0.14 119.74 128.98 1wfi s LYS 85 Ca -0.01 1.53 -0.16 0.00 0.02 0.00 0.00 55.97 57.35 1wfi s LYS 85 Cb -0.14 -2.03 -0.33 0.00 -0.52 0.00 0.00 37.83 34.81 1wfi s LYS 85 CO -0.05 -0.71 0.85 0.82 -0.92 0.00 0.00 175.35 175.34 1wfi h ILE 86 N 1.31 1.20 0.00 2.17 1.08 -1.90 -3.36 117.51 118.01 1wfi h ILE 86 Ca -0.50 -2.60 -0.25 0.00 -0.39 0.00 0.00 64.86 61.12 1wfi h ILE 86 Cb 1.25 2.97 -0.05 0.00 -3.07 0.00 0.00 36.82 37.92 1wfi h ILE 86 CO 0.58 0.80 -2.06 -0.46 -0.69 0.00 0.00 178.15 176.32 1wfi n ASN 87 N -3.77 0.26 -3.98 1.72 0.23 -1.26 -5.00 115.26 103.46 1wfi n ASN 87 Ca -0.19 0.12 -0.39 0.00 -0.53 0.00 0.00 54.58 53.59 1wfi n ASN 87 Cb 1.04 0.91 0.01 0.00 -2.08 0.00 0.00 39.78 39.67 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1wfi n LYS 88 N -2.72 -0.58 -0.76 -3.83 2.85 -1.26 -4.81 118.16 107.06 1wfi n LYS 88 Ca -0.21 0.20 -0.04 0.00 -1.05 0.00 0.00 58.31 57.21 1wfi n LYS 88 Cb 0.97 -2.17 -0.04 0.00 -0.65 0.00 0.00 35.03 33.15 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wfi n MET 89 N -4.19 0.00 -3.77 -1.58 0.00 -1.25 -4.64 117.12 101.70 1wfi n MET 89 Ca -0.16 -0.57 -0.13 0.00 0.00 0.00 0.00 57.70 56.84 1wfi n MET 89 Cb 0.56 0.35 -0.12 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 0.00 0.31 0.07 3.17 2.12 -1.26 -5.13 118.70 117.98 1wfi s GLU 90 Ca 0.00 0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.48 1wfi s GLU 90 Cb 0.00 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1wfi s GLU 90 CO 0.00 -0.06 0.87 -0.46 -0.54 0.00 0.00 175.26 175.06 1wfi s TRP 91 N 0.37 3.76 0.08 5.30 -0.11 -1.26 -4.77 118.94 122.32 1wfi s TRP 91 Ca -0.02 1.63 -0.17 0.00 1.22 0.00 0.00 56.10 58.76 1wfi s TRP 91 Cb -0.04 -2.95 -0.07 0.00 -1.50 0.00 0.00 33.47 28.92 1wfi s TRP 91 CO -0.02 0.22 0.54 -1.58 -4.62 0.00 0.00 176.95 171.49 1wfi s TRP 92 N 0.05 3.74 -1.64 5.86 0.52 -1.26 -4.96 118.94 121.26 1wfi s TRP 92 Ca 0.43 1.18 0.15 0.00 0.02 0.00 0.00 56.10 57.88 1wfi s TRP 92 Cb -0.22 -2.43 0.25 0.00 -1.15 0.00 0.00 33.47 29.92 1wfi s TRP 92 CO 0.26 0.56 1.15 0.09 0.02 0.00 0.00 176.95 179.03 1wfi n ASN 93 N 1.50 2.72 -3.65 2.95 4.13 -1.26 -4.95 115.26 116.70 1wfi n ASN 93 Ca -0.10 -1.80 0.00 0.00 1.68 0.00 0.00 54.58 54.37 1wfi n ASN 93 Cb 0.51 -0.14 -0.06 0.00 -1.54 0.00 0.00 39.78 38.55 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfi s ARG 94 N -1.16 0.15 0.15 3.52 1.04 -1.26 -5.04 118.95 116.35 1wfi s ARG 94 Ca 0.24 0.25 -0.21 0.00 -1.04 0.00 0.00 55.73 54.97 1wfi s ARG 94 Cb 0.14 0.04 0.04 0.00 -2.04 0.00 0.00 34.95 33.13 1wfi s ARG 94 CO 0.20 -0.03 1.64 1.25 -0.04 0.00 0.00 175.30 178.33 1wfi h LEU 95 N 5.13 -0.64 -8.85 -1.89 7.12 -1.97 -3.40 115.31 110.82 1wfi h LEU 95 Ca -0.27 0.13 -0.52 0.00 0.13 0.00 0.00 57.88 57.35 1wfi h LEU 95 Cb 1.17 0.32 -0.18 0.00 -0.53 0.00 0.00 40.66 41.44 1wfi h LEU 95 CO 0.21 -0.23 -0.78 0.68 -0.13 0.00 0.00 178.44 178.19 1wfi s VAL 96 N -6.12 1.85 0.02 1.05 -7.23 -1.26 -3.24 120.40 105.46 1wfi s VAL 96 Ca -0.14 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.16 1wfi s VAL 96 Cb 0.12 -1.88 -0.23 0.00 0.56 0.00 0.00 36.38 34.96 1wfi s VAL 96 CO 0.69 -0.33 0.90 0.71 -0.31 0.00 0.00 175.10 176.75 1wfi h THR 97 N 3.17 1.19 -3.50 5.32 1.35 -0.89 -3.42 112.91 116.14 1wfi h THR 97 Ca -0.42 -2.96 -0.67 0.00 -0.55 0.00 0.00 66.41 61.81 1wfi h THR 97 Cb 1.21 2.61 -0.38 0.00 -1.73 0.00 0.00 68.15 69.86 1wfi h THR 97 CO 0.52 0.71 -0.56 -0.94 -0.25 0.00 0.00 175.52 174.99 1wfi s SER 98 N -6.43 4.79 1.04 5.36 1.04 -1.26 -4.97 113.70 113.27 1wfi s SER 98 Ca -0.04 -2.67 -0.20 0.00 0.48 0.00 0.00 55.95 53.52 1wfi s SER 98 Cb 0.09 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 1wfi s SER 98 CO 0.83 -0.34 -0.56 -0.67 0.98 0.00 0.00 173.24 173.48 1wfi n ASP 99 N 3.63 -3.12 -1.30 7.02 2.03 -1.26 -3.94 116.55 119.61 1wfi n ASP 99 Ca 0.05 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1wfi n ASP 99 Cb 0.37 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1wfi n ASP 99 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wfi n PRO 100 N 0.17 3.35 -0.07 -0.67 -0.04 -1.20 -4.81 135.00 131.73 1wfi n PRO 100 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1wfi n PRO 100 Cb 0.64 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.00 0.47 -1.38 0.54 0.28 -1.26 -5.02 120.64 114.27 1wfi n GLU 101 Ca 0.00 0.07 -0.47 0.00 -0.16 0.00 0.00 57.16 56.61 1wfi n GLU 101 Cb 0.00 -1.28 -0.02 0.00 1.43 0.00 0.00 31.44 31.57 1wfi n GLU 101 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1wfi n ILE 102 N -2.87 1.74 -0.03 3.84 -5.35 -1.26 -4.88 119.36 110.55 1wfi n ILE 102 Ca -0.24 -0.50 -0.19 0.00 -0.27 0.00 0.00 62.75 61.55 1wfi n ILE 102 Cb 0.77 -0.01 -0.14 0.00 -1.74 0.00 0.00 39.64 38.52 1wfi n ILE 102 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1wfi n ASN 103 N 2.05 1.89 -0.03 7.28 0.23 -1.26 -5.04 115.26 120.38 1wfi n ASN 103 Ca 0.17 0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 1wfi n ASN 103 Cb 0.28 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 1wfi n ASN 103 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1wfi n THR 104 N -3.36 0.00 -1.91 5.53 -2.24 -1.26 -4.35 114.28 106.68 1wfi n THR 104 Ca -0.33 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1wfi n THR 104 Cb 1.04 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1wfi n THR 104 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1wfi s LYS 105 N 0.00 4.20 -0.45 -0.78 -2.85 -1.26 -4.95 119.74 113.66 1wfi s LYS 105 Ca 0.00 2.39 0.07 0.00 -1.00 0.00 0.00 55.97 57.43 1wfi s LYS 105 Cb 0.00 -3.14 0.23 0.00 -2.06 0.00 0.00 37.83 32.85 1wfi s LYS 105 CO 0.00 -0.62 0.51 1.17 0.10 0.00 0.00 175.35 176.51 1wfi n LYS 106 N 3.94 0.93 0.00 1.78 4.81 -1.26 -4.97 118.16 123.39 1wfi n LYS 106 Ca 0.14 -3.51 0.00 0.00 -0.87 0.00 0.00 58.31 54.07 1wfi n LYS 106 Cb 0.38 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1wfi n LYS 106 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1wfi n ILE 107 N 1.68 0.00 -4.01 3.15 -6.64 -1.26 -4.72 119.36 107.56 1wfi n ILE 107 Ca 0.24 1.01 -0.09 0.00 -1.77 0.00 0.00 62.75 62.15 1wfi n ILE 107 Cb 0.49 -1.38 -0.09 0.00 -1.44 0.00 0.00 39.64 37.22 1wfi n ILE 107 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 1wfi s ASN 108 N -2.77 0.25 -0.05 7.28 0.01 -1.26 -5.07 114.94 113.34 1wfi s ASN 108 Ca 0.00 -0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 50.98 1wfi s ASN 108 Cb 0.00 0.31 -0.23 0.00 0.41 0.00 0.00 41.25 41.74 1wfi s ASN 108 CO 0.00 -0.72 1.06 1.55 -1.51 0.00 0.00 177.10 177.47 1wfi h PRO 109 N 2.85 0.16 0.00 -0.60 0.13 -1.99 -3.48 132.00 129.07 1wfi h PRO 109 Ca -0.34 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wfi h PRO 109 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wfi h PRO 109 CO 0.58 0.87 0.00 0.39 -0.23 0.00 0.00 178.00 179.61 1wfi n GLU 110 N -4.55 2.00 -3.68 0.86 1.02 -1.26 -5.07 120.64 109.96 1wfi n GLU 110 Ca -0.09 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 1wfi n GLU 110 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.80 1wfi n GLU 110 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wfi s ASN 111 N 0.85 5.42 0.12 1.62 -0.87 -1.26 -5.05 114.94 115.77 1wfi s ASN 111 Ca 0.00 -2.92 0.07 0.00 -1.57 0.00 0.00 52.86 48.44 1wfi s ASN 111 Cb 0.00 -1.89 -0.04 0.00 -0.02 0.00 0.00 41.25 39.30 1wfi s ASN 111 CO 0.00 -0.37 -0.17 -0.44 -2.57 0.00 0.00 177.10 173.55 1wfi s SER 112 N 0.73 2.21 1.19 -1.22 0.01 -1.26 -5.14 113.70 110.23 1wfi s SER 112 Ca 0.18 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.52 1wfi s SER 112 Cb -0.18 -0.10 0.22 0.00 0.21 0.00 0.00 66.02 66.17 1wfi s SER 112 CO -0.04 -0.06 0.50 0.29 0.41 0.00 0.00 173.24 174.34 1wfi n LYS 113 N 0.78 -2.51 -3.73 12.44 5.02 -1.26 -5.01 118.16 123.88 1wfi n LYS 113 Ca -0.17 -0.72 -0.28 0.00 -2.02 0.00 0.00 58.31 55.12 1wfi n LYS 113 Cb 0.55 -1.87 -0.16 0.00 -0.02 0.00 0.00 35.03 33.54 1wfi n LYS 113 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wfi s LEU 114 N -4.18 1.22 -0.57 -0.35 2.96 -1.26 -5.08 118.68 111.42 1wfi s LEU 114 Ca 0.60 -0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1wfi s LEU 114 Cb -0.16 -0.61 0.15 0.00 0.50 0.00 0.00 46.19 46.07 1wfi s LEU 114 CO 0.62 -0.31 0.44 -0.44 -1.32 0.00 0.00 176.35 175.33 1wfi s SER 115 N 1.85 5.73 -0.46 3.68 0.01 -1.26 -4.94 113.70 118.31 1wfi s SER 115 Ca -0.01 -2.32 0.05 0.00 1.31 0.00 0.00 55.95 54.99 1wfi s SER 115 Cb -0.17 -1.99 0.18 0.00 0.21 0.00 0.00 66.02 64.25 1wfi s SER 115 CO -0.09 -0.57 0.54 -1.81 0.41 0.00 0.00 173.24 171.72 1wfi s ASP 116 N 1.98 -0.11 -0.13 2.44 1.01 -1.26 -5.13 116.67 115.47 1wfi s ASP 116 Ca 0.11 -2.14 -0.14 0.00 0.71 0.00 0.00 52.55 51.09 1wfi s ASP 116 Cb -0.22 0.91 -0.05 0.00 1.01 0.00 0.00 42.92 44.57 1wfi s ASP 116 CO -0.03 -0.13 0.31 -0.76 0.21 0.00 0.00 175.17 174.78 1wfi s LEU 117 N 0.70 4.30 0.51 1.23 1.43 -1.26 -5.05 118.68 120.54 1wfi s LEU 117 Ca 0.29 0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 53.76 1wfi s LEU 117 Cb -0.01 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 1wfi s LEU 117 CO -0.10 0.16 1.34 -1.81 0.23 0.00 0.00 176.35 176.16 1wfi s ASP 118 N 0.09 5.53 0.00 2.29 1.01 -1.26 -4.53 116.67 119.80 1wfi s ASP 118 Ca 0.18 2.71 0.00 0.00 0.71 0.00 0.00 52.55 56.16 1wfi s ASP 118 Cb -0.14 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1wfi s ASP 118 CO 0.06 -1.39 0.00 -0.24 0.21 0.00 0.00 175.17 173.81 1wfi n SER 119 N -0.78 0.00 -1.55 0.27 2.88 -1.26 -5.13 113.62 108.05 1wfi n SER 119 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1wfi n SER 119 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1wfi n SER 119 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1wfi n GLU 120 N 0.00 -3.74 -3.58 -1.46 0.28 -1.26 -5.05 120.64 105.83 1wfi n GLU 120 Ca 0.00 2.85 -0.16 0.00 -0.16 0.00 0.00 57.16 59.68 1wfi n GLU 120 Cb 0.00 -3.49 -0.07 0.00 1.43 0.00 0.00 31.44 29.31 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 -4.46 0.01 -0.29 3.84 -1.32 -1.26 -5.14 115.64 107.02 1wfi s THR 121 Ca 0.00 -0.05 0.04 0.00 -1.21 0.00 0.00 61.69 60.47 1wfi s THR 121 Cb 0.00 -0.94 0.19 0.00 -1.51 0.00 0.00 72.50 70.24 1wfi s THR 121 CO 0.00 -0.03 0.56 -0.13 -2.21 0.00 0.00 174.62 172.82 1wfi s ARG 122 N -0.81 0.54 0.27 7.08 1.81 -1.26 -5.16 118.95 121.42 1wfi s ARG 122 Ca -0.08 0.59 0.04 0.00 -1.72 0.00 0.00 55.73 54.55 1wfi s ARG 122 Cb -0.02 0.22 -0.06 0.00 -0.45 0.00 0.00 34.95 34.65 1wfi s ARG 122 CO 0.07 -0.95 0.02 0.45 -0.68 0.00 0.00 175.30 174.21 1wfi s SER 123 N 2.79 2.09 0.06 0.23 0.15 -1.26 -5.17 113.70 112.60 1wfi s SER 123 Ca 0.12 -1.28 0.02 0.00 0.70 0.00 0.00 55.95 55.51 1wfi s SER 123 Cb -0.11 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1wfi s SER 123 CO -0.25 -0.54 -0.07 -0.32 1.20 0.00 0.00 173.24 173.26 1wfi s MET 124 N -3.87 0.60 -0.32 5.44 1.75 -1.26 -5.12 119.30 116.53 1wfi s MET 124 Ca 0.32 -0.92 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 1wfi s MET 124 Cb 0.07 -0.24 0.10 0.00 2.84 0.00 0.00 34.83 37.60 1wfi s MET 124 CO 0.12 0.02 0.08 0.08 -0.65 0.00 0.00 175.02 174.67 1wfi s VAL 125 N -2.07 1.37 0.17 10.11 1.01 -1.26 -5.11 120.40 124.63 1wfi s VAL 125 Ca -0.04 -1.71 0.11 0.00 0.00 0.00 0.00 61.98 60.34 1wfi s VAL 125 Cb -0.05 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1wfi s VAL 125 CO -0.01 -0.63 -0.22 -0.94 0.00 0.00 0.00 175.10 173.30 1wfi s SER 126 N 1.37 3.57 -0.15 3.32 1.04 -1.26 -5.13 113.70 116.46 1wfi s SER 126 Ca 0.10 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.70 1wfi s SER 126 Cb -0.18 -0.34 0.07 0.00 0.10 0.00 0.00 66.02 65.68 1wfi s SER 126 CO -0.19 0.13 0.24 -0.83 0.98 0.00 0.00 173.24 173.58 1wfi s GLY 127 N -2.55 -0.07 0.83 7.32 0.00 -1.26 -5.16 107.32 106.43 1wfi s GLY 127 Ca 0.20 0.65 -0.14 0.00 0.00 0.00 0.00 44.72 45.43 1wfi s GLY 127 CO 0.10 2.02 0.91 -1.55 0.00 0.00 0.00 173.10 174.58 1wfi n PRO 128 N 5.34 -1.78 -3.98 2.90 -0.04 -1.26 -5.11 135.00 131.07 1wfi n PRO 128 Ca -0.06 -1.43 -0.12 0.00 -0.04 0.00 0.00 63.50 61.85 1wfi n PRO 128 Cb 0.50 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 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 -4.19 0.58 0.63 3.54 0.01 -1.26 -5.14 113.70 107.87 1wfi s SER 129 Ca 0.55 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1wfi s SER 129 Cb -0.03 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1wfi s SER 129 CO 0.40 -1.44 0.00 -1.20 0.41 0.00 0.00 173.24 171.41 1wfi n SER 130 N -1.41 -8.27 0.00 2.44 7.64 -1.26 -5.38 113.62 107.38 1wfi n SER 130 Ca -0.03 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.52 1wfi n SER 130 Cb 0.61 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.65 1wfi n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64