#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 -0.17 0.00 1.61 1.04 -1.26 -5.18 113.70 109.74 1wfi s SER 2 Ca 0.00 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1wfi s SER 2 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1wfi s SER 2 CO 0.00 -1.27 0.00 -0.24 0.98 0.00 0.00 173.24 172.71 1wfi n SER 3 N -0.46 0.00 0.00 7.02 2.88 -1.26 -5.19 113.62 116.61 1wfi n SER 3 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1wfi n SER 3 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.12 0.74 3.94 0.46 0.00 -1.26 -5.16 105.19 103.78 1wfi n GLY 4 Ca 0.00 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 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 4.99 0.26 1.61 0.01 -1.26 -5.15 113.70 114.17 1wfi s SER 5 Ca 0.00 -0.90 -0.13 0.00 1.31 0.00 0.00 55.95 56.24 1wfi s SER 5 Cb 0.00 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 1wfi s SER 5 CO 0.00 -0.98 0.50 -0.44 0.41 0.00 0.00 173.24 172.74 1wfi s SER 6 N -4.33 -0.04 0.00 2.44 0.01 -1.26 -5.18 113.70 105.34 1wfi s SER 6 Ca 0.48 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wfi s SER 6 Cb -0.04 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1wfi s SER 6 CO 0.29 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1wfi n GLY 7 N -0.40 1.26 0.00 3.44 0.00 -1.26 -5.10 105.19 103.14 1wfi n GLY 7 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 0.67 0.00 1.61 -0.04 -1.26 -4.98 135.00 131.00 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 -0.66 0.00 -4.25 3.54 3.02 -1.26 -5.15 115.26 110.50 1wfi n ASN 9 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1wfi n ASN 9 Cb 0.00 0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.32 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wfi s TYR 10 N -1.53 1.24 0.11 3.10 1.13 -1.26 -4.61 117.35 115.52 1wfi s TYR 10 Ca 0.00 -0.89 0.09 0.00 -1.41 0.00 0.00 57.07 54.86 1wfi s TYR 10 Cb 0.00 -0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 40.14 1wfi s TYR 10 CO 0.00 -0.07 -0.19 -0.98 -2.51 0.00 0.00 175.55 171.81 1wfi s ARG 11 N -3.83 1.80 -0.16 -3.49 3.03 -0.62 -5.02 118.95 110.67 1wfi s ARG 11 Ca 0.20 -1.16 -0.13 0.00 2.03 0.00 0.00 55.73 56.67 1wfi s ARG 11 Cb 0.05 -2.11 0.04 0.00 -1.03 0.00 0.00 34.95 31.90 1wfi s ARG 11 CO 0.02 0.49 0.41 1.67 -1.13 0.00 0.00 175.30 176.76 1wfi s TRP 12 N -1.10 -0.49 0.00 5.89 1.48 -1.26 -0.53 118.94 122.93 1wfi s TRP 12 Ca 0.17 1.15 0.00 0.00 -1.06 0.00 0.00 56.10 56.36 1wfi s TRP 12 Cb -0.11 0.18 0.00 0.00 -1.16 0.00 0.00 33.47 32.39 1wfi s TRP 12 CO 0.09 -0.25 0.00 0.25 -4.06 0.00 0.00 176.95 172.98 1wfi n THR 13 N 3.21 0.00 -0.49 0.66 -2.24 0.49 -4.96 114.28 110.95 1wfi n THR 13 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wfi n THR 13 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1wfi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfi n GLN 14 N 0.00 -2.67 -1.88 -0.78 0.00 -1.26 -0.67 117.38 110.12 1wfi n GLN 14 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.00 57.01 1wfi n GLN 14 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 1wfi n GLN 14 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1wfi n THR 15 N 0.00 0.35 -1.02 -0.39 5.66 -0.82 -4.94 114.28 113.13 1wfi n THR 15 Ca 0.00 -1.43 -0.01 0.00 -3.05 0.00 0.00 64.05 59.56 1wfi n THR 15 Cb 0.00 1.03 -0.00 0.00 -1.55 0.00 0.00 70.33 69.81 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 0.04 0.57 0.08 1.09 4.77 -1.26 -4.57 117.00 117.70 1wfi n LEU 16 Ca 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1wfi n LEU 16 Cb 0.99 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1wfi n LEU 16 CO -0.03 -0.67 0.00 0.00 -1.33 0.00 0.00 177.39 175.36 1wfi n ALA 17 N 1.02 2.81 -2.88 -1.18 0.00 -1.26 -4.29 120.51 114.72 1wfi n ALA 17 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1wfi n ALA 17 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 1wfi n ALA 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wfi s GLU 18 N -1.48 3.22 -0.09 0.00 4.04 -1.26 -2.87 118.70 120.26 1wfi s GLU 18 Ca 0.00 -0.89 0.04 0.00 0.04 0.00 0.00 54.97 54.16 1wfi s GLU 18 Cb 0.00 -2.76 -0.01 0.00 0.02 0.00 0.00 34.13 31.38 1wfi s GLU 18 CO 0.00 0.40 -0.21 -0.51 -1.84 0.00 0.00 175.26 173.09 1wfi s LEU 19 N -3.94 2.26 -0.12 1.83 1.43 0.14 -1.94 118.68 118.34 1wfi s LEU 19 Ca 0.34 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1wfi s LEU 19 Cb -0.09 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1wfi s LEU 19 CO 0.28 0.20 -0.14 -1.81 0.23 0.00 0.00 176.35 175.11 1wfi s ASP 20 N 0.09 3.90 0.02 2.29 1.01 0.16 -0.77 116.67 123.36 1wfi s ASP 20 Ca -0.10 -0.35 0.03 0.00 0.71 0.00 0.00 52.55 52.85 1wfi s ASP 20 Cb -0.16 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 1wfi s ASP 20 CO 0.06 0.17 -0.10 -0.22 0.21 0.00 0.00 175.17 175.29 1wfi s LEU 21 N 0.31 2.12 -0.09 1.23 1.98 0.23 0.19 118.68 124.64 1wfi s LEU 21 Ca -0.11 -0.34 -0.04 0.00 -2.89 0.00 0.00 54.13 50.75 1wfi s LEU 21 Cb -0.16 -0.44 0.05 0.00 0.66 0.00 0.00 46.19 46.30 1wfi s LEU 21 CO 0.06 0.02 0.19 0.00 -1.89 0.00 0.00 176.35 174.73 1wfi s ALA 22 N -0.66 -0.34 -0.29 5.97 0.00 0.31 0.36 121.76 127.11 1wfi s ALA 22 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1wfi s ALA 22 Cb -0.06 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.40 1wfi s ALA 22 CO 0.00 -0.43 0.03 0.08 0.00 0.00 0.00 175.76 175.45 1wfi s VAL 23 N 1.89 1.58 0.70 0.00 1.01 0.48 -1.59 120.40 124.48 1wfi s VAL 23 Ca -0.02 -1.67 -0.11 0.00 0.00 0.00 0.00 61.98 60.18 1wfi s VAL 23 Cb -0.12 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1wfi s VAL 23 CO -0.07 -0.46 1.06 -2.16 0.00 0.00 0.00 175.10 173.48 1wfi s PRO 24 N 1.30 2.92 0.01 2.72 0.04 -1.26 -0.14 135.00 140.57 1wfi s PRO 24 Ca 0.05 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 1wfi s PRO 24 Cb -0.18 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wfi s PRO 24 CO -0.13 -1.11 0.07 -0.06 0.04 0.00 0.00 177.00 175.81 1wfi s PHE 25 N -3.05 0.11 -1.00 0.56 0.08 -1.09 -4.87 117.98 108.72 1wfi s PHE 25 Ca 0.58 -0.25 -0.16 0.00 0.12 0.00 0.00 56.93 57.23 1wfi s PHE 25 Cb -0.14 -0.09 0.17 0.00 -0.57 0.00 0.00 43.02 42.39 1wfi s PHE 25 CO 0.55 -0.22 1.14 1.03 -0.10 0.00 0.00 175.22 177.62 1wfi s ARG 26 N -1.25 3.79 0.23 0.44 1.81 -1.26 -4.81 118.95 117.90 1wfi s ARG 26 Ca -0.14 -2.25 0.10 0.00 -1.72 0.00 0.00 55.73 51.72 1wfi s ARG 26 Cb -0.08 -4.83 -0.05 0.00 -0.45 0.00 0.00 34.95 29.55 1wfi s ARG 26 CO 0.00 -1.63 -0.17 0.14 -0.68 0.00 0.00 175.30 172.96 1wfi s VAL 27 N 1.54 2.06 -1.89 3.52 -7.23 -1.26 -5.03 120.40 112.12 1wfi s VAL 27 Ca 0.32 -2.28 0.21 0.00 -1.81 0.00 0.00 61.98 58.42 1wfi s VAL 27 Cb -0.06 -2.14 0.55 0.00 0.56 0.00 0.00 36.38 35.29 1wfi s VAL 27 CO -0.07 -0.49 1.46 -1.20 -0.31 0.00 0.00 175.10 174.49 1wfi n SER 28 N -0.44 3.70 -4.16 4.85 7.64 -1.26 -4.96 113.62 118.99 1wfi n SER 28 Ca -0.07 -1.99 -0.11 0.00 1.01 0.00 0.00 58.87 57.71 1wfi n SER 28 Cb 0.60 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.08 0.98 -0.45 1.43 -0.12 -1.26 -5.11 117.98 112.38 1wfi s PHE 29 Ca 0.43 -1.26 -0.29 0.00 -0.05 0.00 0.00 56.93 55.76 1wfi s PHE 29 Cb 0.23 -0.46 0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1wfi s PHE 29 CO 0.30 -0.63 1.16 1.03 -0.05 0.00 0.00 175.22 177.03 1wfi s ARG 30 N -4.11 3.76 0.19 1.99 0.52 -1.26 -4.82 118.95 115.23 1wfi s ARG 30 Ca 0.32 0.69 -0.32 0.00 -0.52 0.00 0.00 55.73 55.90 1wfi s ARG 30 Cb 0.06 -3.90 -0.12 0.00 0.52 0.00 0.00 34.95 31.52 1wfi s ARG 30 CO 0.08 -1.33 1.73 1.28 0.02 0.00 0.00 175.30 177.09 1wfi n LEU 31 N 7.80 3.96 -4.92 2.53 4.77 -0.46 -4.99 117.00 125.70 1wfi n LEU 31 Ca 0.13 1.05 -0.24 0.00 -0.03 0.00 0.00 56.01 56.92 1wfi n LEU 31 Cb 0.49 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1wfi n LEU 31 CO 0.70 0.16 0.09 -0.54 -1.33 0.00 0.00 177.39 176.47 1wfi s LYS 32 N 1.38 2.31 -0.10 3.23 1.02 -1.26 -4.73 119.74 121.59 1wfi s LYS 32 Ca 0.76 -1.86 0.04 0.00 0.02 0.00 0.00 55.97 54.93 1wfi s LYS 32 Cb -0.51 -2.24 0.28 0.00 -0.52 0.00 0.00 37.83 34.83 1wfi s LYS 32 CO 0.33 -0.57 1.04 0.41 -0.92 0.00 0.00 175.35 175.64 1wfi n GLY 33 N -1.80 2.25 0.00 -3.33 0.00 -1.26 -3.11 105.19 97.94 1wfi n GLY 33 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.15 -0.48 -2.79 1.61 2.85 -1.26 -4.65 118.16 113.59 1wfi n LYS 34 Ca 0.13 -0.61 -0.00 0.00 -1.05 0.00 0.00 58.31 56.77 1wfi n LYS 34 Cb 0.67 -0.99 0.06 0.00 -0.65 0.00 0.00 35.03 34.12 1wfi n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wfi n ASP 35 N -0.06 1.21 -4.35 -5.58 2.03 -1.18 -5.04 116.55 103.58 1wfi n ASP 35 Ca 0.00 -2.04 -0.20 0.00 0.52 0.00 0.00 54.79 53.07 1wfi n ASP 35 Cb 0.04 -0.34 -0.10 0.00 -0.72 0.00 0.00 41.12 40.00 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wfi s VAL 36 N -3.27 0.88 -0.17 5.18 1.01 -1.25 -3.54 120.40 119.24 1wfi s VAL 36 Ca 0.25 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 1wfi s VAL 36 Cb 0.34 -2.68 0.08 0.00 0.00 0.00 0.00 36.38 34.11 1wfi s VAL 36 CO -0.05 0.00 0.21 -0.69 0.00 0.00 0.00 175.10 174.57 1wfi s VAL 37 N -3.45 -0.32 -0.24 2.92 1.01 0.30 -4.19 120.40 116.45 1wfi s VAL 37 Ca 0.35 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 1wfi s VAL 37 Cb 0.08 -0.56 0.09 0.00 0.00 0.00 0.00 36.38 35.98 1wfi s VAL 37 CO 0.15 -0.08 0.15 -0.69 0.00 0.00 0.00 175.10 174.62 1wfi s VAL 38 N 2.33 -0.15 -0.50 2.92 1.01 -1.25 0.56 120.40 125.31 1wfi s VAL 38 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1wfi s VAL 38 Cb -0.14 -0.79 0.12 0.00 0.00 0.00 0.00 36.38 35.56 1wfi s VAL 38 CO -0.10 -0.47 0.42 -0.62 0.00 0.00 0.00 175.10 174.33 1wfi s ASP 39 N 2.17 5.96 -0.29 3.32 2.15 0.52 -4.98 116.67 125.52 1wfi s ASP 39 Ca 0.06 -1.82 -0.14 0.00 0.43 0.00 0.00 52.55 51.08 1wfi s ASP 39 Cb -0.16 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1wfi s ASP 39 CO -0.23 -0.77 0.33 -0.63 -0.17 0.00 0.00 175.17 173.70 1wfi s ILE 40 N 1.49 5.20 0.18 4.11 1.01 -1.26 -1.52 121.20 130.42 1wfi s ILE 40 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1wfi s ILE 40 Cb -0.28 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 1wfi s ILE 40 CO 0.01 0.12 0.01 0.00 0.00 0.00 0.00 174.94 175.08 1wfi n GLN 41 N 5.28 1.43 0.25 2.79 1.13 -0.41 -4.94 117.38 122.91 1wfi n GLN 41 Ca -0.10 -1.35 -0.10 0.00 -1.94 0.00 0.00 57.00 53.52 1wfi n GLN 41 Cb 0.51 0.42 -0.05 0.00 0.11 0.00 0.00 30.24 31.23 1wfi n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1wfi h ARG 42 N 0.00 -0.61 -1.13 -1.09 9.65 -1.96 -3.37 114.38 115.87 1wfi h ARG 42 Ca -0.15 0.04 -0.50 0.00 -1.10 0.00 0.00 59.98 58.27 1wfi h ARG 42 Cb 0.47 0.14 -0.42 0.00 -1.39 0.00 0.00 29.97 28.77 1wfi h ARG 42 CO 0.25 -0.40 -0.89 -2.13 2.80 0.00 0.00 179.97 179.60 1wfi n ARG 43 N -3.81 2.84 -3.65 0.20 0.63 -1.26 0.25 116.66 111.86 1wfi n ARG 43 Ca -0.08 -4.07 -0.03 0.00 -0.92 0.00 0.00 57.85 52.75 1wfi n ARG 43 Cb 0.25 -1.99 -0.05 0.00 0.45 0.00 0.00 32.46 31.12 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 -3.50 -1.26 0.07 -0.14 2.46 -1.26 -1.78 115.29 109.89 1wfi s HIS 44 Ca 0.42 2.23 0.05 0.00 0.47 0.00 0.00 55.06 58.23 1wfi s HIS 44 Cb 0.41 0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 33.56 1wfi s HIS 44 CO -0.08 -0.63 -0.04 -1.17 -2.47 0.00 0.00 174.74 170.35 1wfi s LEU 45 N 2.69 3.29 -0.25 8.88 2.96 -0.37 -1.29 118.68 134.59 1wfi s LEU 45 Ca -0.06 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1wfi s LEU 45 Cb -0.11 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.69 1wfi s LEU 45 CO -0.19 0.20 0.52 -0.60 -1.32 0.00 0.00 176.35 174.97 1wfi s ARG 46 N -2.05 0.44 0.13 1.98 3.52 -0.57 -1.86 118.95 120.54 1wfi s ARG 46 Ca 0.22 1.19 0.04 0.00 -0.13 0.00 0.00 55.73 57.06 1wfi s ARG 46 Cb -0.11 0.54 -0.04 0.00 -1.56 0.00 0.00 34.95 33.78 1wfi s ARG 46 CO 0.14 -0.26 -0.10 0.08 -0.81 0.00 0.00 175.30 174.35 1wfi s VAL 47 N 2.74 1.06 0.00 7.11 1.01 -0.01 0.20 120.40 132.52 1wfi s VAL 47 Ca -0.02 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1wfi s VAL 47 Cb -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1wfi s VAL 47 CO -0.16 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 174.82 1wfi n GLY 48 N -0.04 -0.62 3.66 4.51 0.00 0.19 -0.92 105.19 111.98 1wfi n GLY 48 Ca -0.12 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 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 3.76 -0.08 0.99 1.43 -1.26 0.11 118.68 123.63 1wfi s LEU 49 Ca 0.00 0.12 -0.41 0.00 -1.03 0.00 0.00 54.13 52.81 1wfi s LEU 49 Cb 0.00 -1.92 -0.20 0.00 0.03 0.00 0.00 46.19 44.11 1wfi s LEU 49 CO 0.00 0.25 1.19 0.29 0.23 0.00 0.00 176.35 178.31 1wfi n LYS 50 N 3.00 0.12 0.00 1.70 5.02 -1.23 0.14 118.16 126.91 1wfi n LYS 50 Ca -0.18 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1wfi n LYS 50 Cb 0.53 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 2.04 1.67 3.81 0.72 0.00 -1.26 -4.96 105.19 107.22 1wfi n GLY 51 Ca 0.22 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 1.57 0.35 1.61 -1.52 0.37 -5.02 119.66 117.02 1wfi s GLN 52 Ca 0.00 0.35 -0.26 0.00 -1.95 0.00 0.00 55.36 53.49 1wfi s GLN 52 Cb 0.00 -1.88 -0.09 0.00 -0.22 0.00 0.00 33.01 30.81 1wfi s GLN 52 CO 0.00 -1.91 1.07 -1.25 -0.25 0.00 0.00 175.29 172.94 1wfi s PRO 53 N -5.31 4.35 -0.48 2.91 0.04 -1.26 -4.41 135.00 130.85 1wfi s PRO 53 Ca 0.63 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 1wfi s PRO 53 Cb -0.14 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1wfi s PRO 53 CO 0.53 0.00 1.44 -1.25 0.04 0.00 0.00 177.00 177.76 1wfi s PRO 54 N -2.08 3.42 0.40 0.56 0.04 -1.26 -4.25 135.00 131.84 1wfi s PRO 54 Ca 0.52 0.75 0.14 0.00 0.04 0.00 0.00 61.00 62.46 1wfi s PRO 54 Cb -0.26 -4.08 0.98 0.00 0.04 0.00 0.00 34.50 31.18 1wfi s PRO 54 CO 0.33 -1.77 1.89 0.28 0.04 0.00 0.00 177.00 177.77 1wfi h VAL 55 N 6.46 0.78 -4.10 -0.36 2.07 -1.41 -3.39 116.25 116.31 1wfi h VAL 55 Ca -0.27 -0.17 -0.69 0.00 0.82 0.00 0.00 66.70 66.38 1wfi h VAL 55 Cb 1.10 0.24 -0.28 0.00 -1.52 0.00 0.00 31.29 30.83 1wfi h VAL 55 CO 1.12 0.09 -0.84 -0.69 0.02 0.00 0.00 177.57 177.27 1wfi s VAL 56 N -5.50 2.44 -0.32 2.57 1.01 -1.03 -4.68 120.40 114.89 1wfi s VAL 56 Ca -0.09 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1wfi s VAL 56 Cb 0.22 -1.91 0.19 0.00 0.00 0.00 0.00 36.38 34.87 1wfi s VAL 56 CO 0.78 0.57 1.07 1.51 0.00 0.00 0.00 175.10 179.03 1wfi s ASP 57 N -0.39 -0.27 -0.02 3.32 -4.77 -1.21 -0.83 116.67 112.51 1wfi s ASP 57 Ca 0.03 -0.12 -0.30 0.00 -3.30 0.00 0.00 52.55 48.86 1wfi s ASP 57 Cb -0.12 0.42 0.11 0.00 -1.09 0.00 0.00 42.92 42.24 1wfi s ASP 57 CO 0.02 -0.03 1.13 -0.83 0.70 0.00 0.00 175.17 176.16 1wfi s GLY 58 N 2.06 -0.35 0.37 2.12 0.00 -0.78 -4.23 107.32 106.51 1wfi s GLY 58 Ca 0.16 0.82 -0.25 0.00 0.00 0.00 0.00 44.72 45.45 1wfi s GLY 58 CO -0.16 0.22 1.06 1.85 0.00 0.00 0.00 173.10 176.07 1wfi s GLU 59 N -2.72 4.30 0.41 2.90 2.12 -1.26 -1.24 118.70 123.20 1wfi s GLU 59 Ca 0.11 1.58 -0.23 0.00 0.36 0.00 0.00 54.97 56.80 1wfi s GLU 59 Cb 0.01 -2.72 -0.10 0.00 0.26 0.00 0.00 34.13 31.58 1wfi s GLU 59 CO -0.03 -0.04 0.97 -0.51 -0.54 0.00 0.00 175.26 175.11 1wfi s LEU 60 N -2.31 4.05 0.00 2.70 2.01 -0.74 0.17 118.68 124.56 1wfi s LEU 60 Ca 0.54 1.81 0.09 0.00 0.01 0.00 0.00 54.13 56.58 1wfi s LEU 60 Cb -0.25 -4.37 0.42 0.00 0.01 0.00 0.00 46.19 42.01 1wfi s LEU 60 CO 0.31 -0.37 1.24 0.00 1.01 0.00 0.00 176.35 178.54 1wfi n TYR 61 N -0.32 0.00 -3.58 0.29 4.19 -1.25 -4.53 117.16 111.95 1wfi n TYR 61 Ca 0.06 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.25 1wfi n TYR 61 Cb 0.52 -0.41 -0.06 0.00 0.49 0.00 0.00 39.34 39.89 1wfi n TYR 61 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1wfi s ASN 62 N -2.82 -0.72 -0.40 2.98 3.84 -1.26 -5.03 114.94 111.53 1wfi s ASN 62 Ca 0.06 1.08 -0.37 0.00 0.21 0.00 0.00 52.86 53.84 1wfi s ASN 62 Cb 0.06 1.54 -0.16 0.00 -0.55 0.00 0.00 41.25 42.14 1wfi s ASN 62 CO 0.15 -0.16 1.43 -0.62 -2.79 0.00 0.00 177.10 175.11 1wfi n GLU 63 N 4.44 0.00 -3.87 0.43 1.02 -1.26 -4.72 120.64 116.67 1wfi n GLU 63 Ca -0.15 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.62 1wfi n GLU 63 Cb 0.55 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.70 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 3.22 5.39 -0.22 2.62 -7.23 0.69 -1.11 120.40 123.76 1wfi s VAL 64 Ca 0.88 0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 60.94 1wfi s VAL 64 Cb -1.21 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 32.33 1wfi s VAL 64 CO 0.62 0.56 1.73 -0.75 -0.31 0.00 0.00 175.10 176.95 1wfi s LYS 65 N -0.59 3.67 -0.00 4.82 2.20 0.41 -4.16 119.74 126.08 1wfi s LYS 65 Ca 0.13 1.71 -0.14 0.00 -0.36 0.00 0.00 55.97 57.30 1wfi s LYS 65 Cb -0.12 -4.11 -0.08 0.00 -1.51 0.00 0.00 37.83 32.02 1wfi s LYS 65 CO 0.02 -1.45 0.83 0.28 -0.36 0.00 0.00 175.35 174.67 1wfi h VAL 66 N 6.33 0.00 -1.70 4.02 2.07 -1.85 -2.95 116.25 122.17 1wfi h VAL 66 Ca -0.35 -0.24 0.49 0.00 0.82 0.00 0.00 66.70 67.42 1wfi h VAL 66 Cb 1.17 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1wfi h VAL 66 CO 1.00 0.00 1.31 -0.33 0.02 0.00 0.00 177.57 179.57 1wfi h GLU 67 N -0.75 0.00 -1.38 1.57 5.08 -1.94 1.76 114.58 118.92 1wfi h GLU 67 Ca -0.05 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.62 1wfi h GLU 67 Cb 0.39 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.33 1wfi h GLU 67 CO 0.09 0.00 0.54 0.39 -1.00 0.00 0.00 179.01 179.03 1wfi n GLU 68 N -3.84 2.92 -3.82 2.33 -0.58 -1.12 -4.94 120.64 111.59 1wfi n GLU 68 Ca 0.38 -3.63 -0.12 0.00 -0.42 0.00 0.00 57.16 53.38 1wfi n GLU 68 Cb 1.82 -2.28 -0.09 0.00 -0.57 0.00 0.00 31.44 30.33 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wfi s SER 69 N -1.99 -0.06 0.00 1.62 0.01 0.60 -3.85 113.70 110.03 1wfi s SER 69 Ca 0.57 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1wfi s SER 69 Cb 0.46 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1wfi s SER 69 CO -0.17 -0.45 0.00 -1.54 0.41 0.00 0.00 173.24 171.49 1wfi n SER 70 N 1.19 0.00 -3.49 2.44 3.41 -0.26 -4.99 113.62 111.93 1wfi n SER 70 Ca -0.21 -0.83 -0.12 0.00 -0.26 0.00 0.00 58.87 57.45 1wfi n SER 70 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1wfi n SER 70 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1wfi s TRP 71 N -7.43 -0.47 0.33 7.33 1.48 -1.26 0.47 118.94 119.39 1wfi s TRP 71 Ca 0.00 0.48 -0.08 0.00 -1.06 0.00 0.00 56.10 55.43 1wfi s TRP 71 Cb 0.00 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.84 1wfi s TRP 71 CO 0.00 -0.64 0.56 -0.48 -4.06 0.00 0.00 176.95 172.34 1wfi s LEU 72 N -2.16 0.59 -0.22 -4.66 -0.00 0.29 -4.97 118.68 107.55 1wfi s LEU 72 Ca -0.00 -1.27 -0.01 0.00 -0.00 0.00 0.00 54.13 52.85 1wfi s LEU 72 Cb -0.01 1.91 0.02 0.00 -0.00 0.00 0.00 46.19 48.12 1wfi s LEU 72 CO -0.06 -1.37 -0.11 -0.63 -0.00 0.00 0.00 176.35 174.18 1wfi s ILE 73 N -3.07 2.59 -0.09 1.48 1.01 -1.26 0.14 121.20 122.00 1wfi s ILE 73 Ca 0.25 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1wfi s ILE 73 Cb -0.02 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1wfi s ILE 73 CO 0.15 0.32 0.71 -1.61 0.00 0.00 0.00 174.94 174.51 1wfi s GLU 74 N 1.31 4.40 -1.52 2.79 2.02 0.56 -3.64 118.70 124.62 1wfi s GLU 74 Ca 0.02 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1wfi s GLU 74 Cb -0.15 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1wfi s GLU 74 CO -0.07 0.00 0.00 -0.25 0.02 0.00 0.00 175.26 174.96 1wfi n ASP 75 N 4.02 -3.83 -4.24 -0.19 8.00 -1.26 -1.26 116.55 117.79 1wfi n ASP 75 Ca -0.01 0.35 -0.37 0.00 0.71 0.00 0.00 54.79 55.48 1wfi n ASP 75 Cb 0.51 -3.52 -0.03 0.00 -0.02 0.00 0.00 41.12 38.06 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 -0.29 -0.44 0.99 0.44 0.00 -1.24 -4.71 105.19 99.93 1wfi n GLY 76 Ca -0.15 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.37 0.00 -4.70 1.61 2.85 -0.39 -1.36 118.16 111.80 1wfi n LYS 77 Ca 0.08 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.02 1wfi n LYS 77 Cb 0.49 -0.37 -0.12 0.00 -0.65 0.00 0.00 35.03 34.38 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 -1.72 3.05 -0.07 0.58 -7.23 -0.99 -2.68 120.40 111.33 1wfi s VAL 78 Ca 0.00 -0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 59.06 1wfi s VAL 78 Cb 0.00 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1wfi s VAL 78 CO 0.00 0.43 0.42 -0.69 -0.31 0.00 0.00 175.10 174.95 1wfi s VAL 79 N -0.88 5.13 -0.03 1.32 1.01 0.80 -0.32 120.40 127.43 1wfi s VAL 79 Ca 0.14 0.84 0.07 0.00 0.00 0.00 0.00 61.98 63.04 1wfi s VAL 79 Cb -0.11 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1wfi s VAL 79 CO 0.04 0.44 -0.24 0.42 0.00 0.00 0.00 175.10 175.76 1wfi s THR 80 N -0.13 2.19 -0.02 3.92 -4.23 0.36 0.18 115.64 117.92 1wfi s THR 80 Ca 0.23 -1.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.76 1wfi s THR 80 Cb -0.15 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 1wfi s THR 80 CO 0.11 0.58 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.87 1wfi s VAL 81 N -0.52 1.64 -0.33 2.29 1.01 0.16 0.11 120.40 124.75 1wfi s VAL 81 Ca 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1wfi s VAL 81 Cb -0.11 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.99 1wfi s VAL 81 CO 0.00 0.46 0.03 -2.28 0.00 0.00 0.00 175.10 173.32 1wfi s HIS 82 N -0.41 3.52 0.23 5.22 2.46 0.18 -0.60 115.29 125.88 1wfi s HIS 82 Ca 0.06 -2.52 0.05 0.00 0.47 0.00 0.00 55.06 53.12 1wfi s HIS 82 Cb -0.09 -2.58 -0.03 0.00 -0.13 0.00 0.00 32.58 29.75 1wfi s HIS 82 CO -0.00 -0.91 0.34 -0.51 -2.47 0.00 0.00 174.74 171.19 1wfi s LEU 83 N 1.06 4.29 -0.02 8.88 2.01 0.05 -1.10 118.68 133.84 1wfi s LEU 83 Ca 0.02 0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.24 1wfi s LEU 83 Cb -0.20 -2.84 0.01 0.00 0.01 0.00 0.00 46.19 43.17 1wfi s LEU 83 CO -0.05 -0.05 -0.03 -0.70 1.01 0.00 0.00 176.35 176.53 1wfi s GLU 84 N -3.86 0.47 0.03 1.70 2.56 -1.25 0.23 118.70 118.58 1wfi s GLU 84 Ca 0.34 -0.07 -0.30 0.00 0.00 0.00 0.00 54.97 54.93 1wfi s GLU 84 Cb -0.09 -0.53 -0.04 0.00 2.00 0.00 0.00 34.13 35.47 1wfi s GLU 84 CO 0.29 -0.02 1.00 0.15 -0.56 0.00 0.00 175.26 176.11 1wfi s LYS 85 N 0.51 4.58 0.58 4.30 1.02 -1.14 0.15 119.74 129.75 1wfi s LYS 85 Ca -0.06 1.46 0.34 0.00 0.02 0.00 0.00 55.97 57.73 1wfi s LYS 85 Cb -0.09 -3.43 1.30 0.00 -0.52 0.00 0.00 37.83 35.09 1wfi s LYS 85 CO -0.01 -0.01 1.55 0.82 -0.92 0.00 0.00 175.35 176.79 1wfi h ILE 86 N 4.60 0.13 -3.26 2.17 1.08 -1.40 -3.39 117.51 117.43 1wfi h ILE 86 Ca -0.41 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 63.92 1wfi h ILE 86 Cb 1.22 0.18 -0.21 0.00 -3.07 0.00 0.00 36.82 34.94 1wfi h ILE 86 CO 0.75 0.00 -0.39 0.20 -0.69 0.00 0.00 178.15 178.02 1wfi s ASN 87 N -4.13 -0.09 -0.92 1.72 0.01 -1.26 -4.95 114.94 105.31 1wfi s ASN 87 Ca -0.04 -0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.07 1wfi s ASN 87 Cb 0.18 0.27 0.27 0.00 0.41 0.00 0.00 41.25 42.39 1wfi s ASN 87 CO 0.63 -0.39 1.10 1.17 -1.51 0.00 0.00 177.10 178.10 1wfi n LYS 88 N 1.46 3.48 -0.73 -0.60 4.81 -1.26 -4.52 118.16 120.80 1wfi n LYS 88 Ca -0.22 -4.57 -0.03 0.00 -0.87 0.00 0.00 58.31 52.63 1wfi n LYS 88 Cb 0.56 -2.42 -0.03 0.00 0.02 0.00 0.00 35.03 33.16 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wfi n MET 89 N 1.51 0.00 -3.73 1.64 0.00 -1.26 -4.96 117.12 110.31 1wfi n MET 89 Ca 0.26 -0.49 -0.13 0.00 0.00 0.00 0.00 57.70 57.34 1wfi n MET 89 Cb 0.37 0.19 -0.11 0.00 0.00 0.00 0.00 33.22 33.67 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 0.42 0.15 3.17 2.56 -1.26 -5.16 118.70 118.59 1wfi s GLU 90 Ca 0.01 0.57 -0.07 0.00 0.00 0.00 0.00 54.97 55.49 1wfi s GLU 90 Cb 0.01 0.16 -0.06 0.00 2.00 0.00 0.00 34.13 36.24 1wfi s GLU 90 CO -0.00 -0.08 0.42 -0.46 -0.56 0.00 0.00 175.26 174.58 1wfi s TRP 91 N 0.47 3.48 0.28 5.30 -0.11 -1.26 -4.85 118.94 122.25 1wfi s TRP 91 Ca -0.02 0.66 -0.00 0.00 1.22 0.00 0.00 56.10 57.95 1wfi s TRP 91 Cb -0.04 -2.08 -0.04 0.00 -1.50 0.00 0.00 33.47 29.81 1wfi s TRP 91 CO -0.02 0.41 0.48 -1.58 -4.62 0.00 0.00 176.95 171.62 1wfi s TRP 92 N -1.66 3.49 -0.20 5.86 0.52 -1.26 -5.00 118.94 120.69 1wfi s TRP 92 Ca 0.41 0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.92 1wfi s TRP 92 Cb -0.12 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 1wfi s TRP 92 CO 0.23 0.24 0.19 -1.71 0.02 0.00 0.00 176.95 175.92 1wfi n ASN 93 N -1.29 0.55 -3.64 2.95 2.85 -1.26 -5.02 115.26 110.40 1wfi n ASN 93 Ca -0.05 -0.55 -0.09 0.00 -0.11 0.00 0.00 54.58 53.78 1wfi n ASN 93 Cb 0.55 1.02 -0.07 0.00 1.24 0.00 0.00 39.78 42.52 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfi s ARG 94 N -1.51 0.52 0.13 1.20 1.04 -1.26 -5.05 118.95 114.00 1wfi s ARG 94 Ca 0.01 0.65 -0.24 0.00 -1.04 0.00 0.00 55.73 55.11 1wfi s ARG 94 Cb 0.03 0.23 -0.05 0.00 -2.04 0.00 0.00 34.95 33.12 1wfi s ARG 94 CO 0.19 -0.07 1.38 -0.11 -0.04 0.00 0.00 175.30 176.65 1wfi n LEU 95 N 2.49 -0.83 -4.28 -1.89 -0.00 -1.26 -4.41 117.00 106.82 1wfi n LEU 95 Ca -0.13 1.57 -0.22 0.00 -0.00 0.00 0.00 56.01 57.22 1wfi n LEU 95 Cb 0.56 -0.27 -0.12 0.00 -0.00 0.00 0.00 43.42 43.60 1wfi n LEU 95 CO 0.02 -1.22 -0.49 0.68 -0.00 0.00 0.00 177.39 176.38 1wfi s VAL 96 N -5.03 1.62 0.28 1.96 -7.23 -1.26 -3.93 120.40 106.80 1wfi s VAL 96 Ca -0.09 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1wfi s VAL 96 Cb 0.09 -1.57 0.27 0.00 0.56 0.00 0.00 36.38 35.73 1wfi s VAL 96 CO 0.49 -0.19 1.89 0.71 -0.31 0.00 0.00 175.10 177.68 1wfi h THR 97 N 3.81 1.08 -3.34 5.32 1.35 0.15 -3.37 112.91 117.90 1wfi h THR 97 Ca -0.44 -0.39 -0.57 0.00 -0.55 0.00 0.00 66.41 64.46 1wfi h THR 97 Cb 1.19 -0.16 -0.39 0.00 -1.73 0.00 0.00 68.15 67.05 1wfi h THR 97 CO 0.44 0.21 -0.76 -0.94 -0.25 0.00 0.00 175.52 174.21 1wfi s SER 98 N -5.92 3.65 0.33 5.36 1.04 -1.26 -5.00 113.70 111.90 1wfi s SER 98 Ca -0.12 -1.27 -0.27 0.00 0.48 0.00 0.00 55.95 54.77 1wfi s SER 98 Cb 0.20 -0.89 -0.09 0.00 0.10 0.00 0.00 66.02 65.34 1wfi s SER 98 CO 0.81 -0.33 1.06 -1.81 0.98 0.00 0.00 173.24 173.95 1wfi s ASP 99 N 1.61 7.06 -0.00 7.02 1.11 -1.26 -4.31 116.67 127.90 1wfi s ASP 99 Ca 0.02 2.14 -0.00 0.00 0.18 0.00 0.00 52.55 54.89 1wfi s ASP 99 Cb -0.18 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.21 1wfi s ASP 99 CO -0.14 -0.28 0.25 1.55 1.18 0.00 0.00 175.17 177.74 1wfi h PRO 100 N 3.23 -0.01 0.00 8.23 0.13 -1.88 -3.36 132.00 138.35 1wfi h PRO 100 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1wfi h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wfi h PRO 100 CO 0.65 -0.00 -0.39 1.05 -0.23 0.00 0.00 178.00 179.08 1wfi h GLU 101 N -0.02 0.00 -3.16 0.86 4.11 -1.93 -3.49 114.58 110.96 1wfi h GLU 101 Ca -0.00 0.00 0.31 0.00 0.07 0.00 0.00 59.36 59.74 1wfi h GLU 101 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1wfi h GLU 101 CO 0.00 0.39 -0.98 -0.89 0.07 0.00 0.00 179.01 177.60 1wfi n ILE 102 N -3.62 -0.48 -2.04 -1.06 5.41 -1.26 -4.95 119.36 111.36 1wfi n ILE 102 Ca -0.01 0.66 -0.02 0.00 1.00 0.00 0.00 62.75 64.38 1wfi n ILE 102 Cb 0.50 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 1wfi n ILE 102 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1wfi n ASN 103 N -4.24 -0.53 -4.32 4.38 3.02 -1.26 -5.07 115.26 107.24 1wfi n ASN 103 Ca -0.06 -1.14 -0.61 0.00 -0.03 0.00 0.00 54.58 52.74 1wfi n ASN 103 Cb 0.63 0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.91 1wfi n ASN 103 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wfi n THR 104 N -0.26 0.00 -3.77 3.41 -2.24 -1.26 -4.89 114.28 105.27 1wfi n THR 104 Ca -0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1wfi n THR 104 Cb 0.53 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 1wfi n THR 104 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wfi n LYS 105 N 3.17 0.54 -0.94 -0.78 4.76 -1.26 -5.15 118.16 118.50 1wfi n LYS 105 Ca 0.26 -1.71 -0.35 0.00 -2.87 0.00 0.00 58.31 53.64 1wfi n LYS 105 Cb -0.03 1.76 0.06 0.00 -1.84 0.00 0.00 35.03 34.99 1wfi n LYS 105 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wfi n LYS 106 N -0.37 -0.15 -0.10 1.97 4.81 -1.26 -4.81 118.16 118.25 1wfi n LYS 106 Ca -0.01 -0.03 -0.04 0.00 -0.87 0.00 0.00 58.31 57.35 1wfi n LYS 106 Cb 0.38 -1.23 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 1wfi n LYS 106 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1wfi h ILE 107 N -1.18 0.00 -1.57 3.15 5.03 -2.02 -3.45 117.51 117.47 1wfi h ILE 107 Ca -0.44 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.40 1wfi h ILE 107 Cb 1.31 0.00 -0.23 0.00 -3.03 0.00 0.00 36.82 34.87 1wfi h ILE 107 CO 0.26 0.00 0.58 0.20 -0.68 0.00 0.00 178.15 178.51 1wfi s ASN 108 N -3.71 -0.34 0.00 1.72 0.01 -1.26 -5.03 114.94 106.34 1wfi s ASN 108 Ca -0.04 0.34 -0.03 0.00 -0.71 0.00 0.00 52.86 52.42 1wfi s ASN 108 Cb 0.03 0.28 -0.15 0.00 0.41 0.00 0.00 41.25 41.83 1wfi s ASN 108 CO 0.21 -0.33 2.49 -0.81 -1.51 0.00 0.00 177.10 177.14 1wfi n PRO 109 N 0.64 1.30 -1.65 -0.60 -0.04 -1.26 -4.69 135.00 128.69 1wfi n PRO 109 Ca -0.09 -0.55 -0.41 0.00 -0.04 0.00 0.00 63.50 62.41 1wfi n PRO 109 Cb 0.58 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1wfi n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfi n GLU 110 N 2.36 3.33 -3.39 0.54 1.02 -1.26 -4.84 120.64 118.40 1wfi n GLU 110 Ca 0.24 -2.59 -0.45 0.00 -0.02 0.00 0.00 57.16 54.34 1wfi n GLU 110 Cb 0.61 -3.04 -0.04 0.00 -0.02 0.00 0.00 31.44 28.95 1wfi n GLU 110 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1wfi s ASN 111 N 2.46 6.46 0.22 1.62 2.47 -1.26 -5.04 114.94 121.87 1wfi s ASN 111 Ca 0.55 -2.59 -0.27 0.00 0.42 0.00 0.00 52.86 50.97 1wfi s ASN 111 Cb 0.15 -2.15 -0.17 0.00 -1.45 0.00 0.00 41.25 37.63 1wfi s ASN 111 CO -0.07 -0.58 0.46 -1.20 -3.72 0.00 0.00 177.10 171.99 1wfi n SER 112 N 4.08 -1.43 -3.98 -4.21 7.64 -1.26 -4.97 113.62 109.49 1wfi n SER 112 Ca 0.09 1.08 -0.17 0.00 1.01 0.00 0.00 58.87 60.88 1wfi n SER 112 Cb 0.45 -0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 62.62 1wfi n SER 112 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1wfi s LYS 113 N -0.99 1.48 -0.71 1.43 -2.85 -1.26 -5.10 119.74 111.74 1wfi s LYS 113 Ca 0.63 -1.83 0.04 0.00 -1.00 0.00 0.00 55.97 53.81 1wfi s LYS 113 Cb -0.88 0.07 0.21 0.00 -2.06 0.00 0.00 37.83 35.17 1wfi s LYS 113 CO 0.56 -0.45 0.65 1.28 0.10 0.00 0.00 175.35 177.49 1wfi n LEU 114 N -0.48 3.52 -2.75 2.77 4.77 -1.26 -4.89 117.00 118.68 1wfi n LEU 114 Ca 0.02 -5.30 -0.05 0.00 -0.03 0.00 0.00 56.01 50.66 1wfi n LEU 114 Cb 0.65 -0.77 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1wfi n LEU 114 CO 0.34 1.85 0.16 -1.20 -1.33 0.00 0.00 177.39 177.21 1wfi n SER 115 N 1.56 -3.23 -3.64 -1.43 7.64 -1.26 -5.08 113.62 108.18 1wfi n SER 115 Ca 0.24 -2.90 -0.29 0.00 1.01 0.00 0.00 58.87 56.93 1wfi n SER 115 Cb 0.37 1.72 -0.13 0.00 -1.01 0.00 0.00 64.21 65.16 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 0.31 3.45 0.86 6.43 1.01 -1.26 -5.12 116.67 122.35 1wfi s ASP 116 Ca 0.30 -2.51 -0.13 0.00 0.71 0.00 0.00 52.55 50.92 1wfi s ASP 116 Cb 0.06 -0.86 0.13 0.00 1.01 0.00 0.00 42.92 43.26 1wfi s ASP 116 CO -0.10 -0.28 1.22 -0.76 0.21 0.00 0.00 175.17 175.47 1wfi s LEU 117 N 0.54 2.64 -0.15 1.23 1.43 -1.26 -5.10 118.68 118.02 1wfi s LEU 117 Ca 0.18 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 1wfi s LEU 117 Cb -0.24 -2.79 0.13 0.00 0.03 0.00 0.00 46.19 43.33 1wfi s LEU 117 CO 0.00 -2.24 1.03 -0.62 0.23 0.00 0.00 176.35 174.75 1wfi s ASP 118 N -4.72 -0.32 0.00 2.29 2.15 -1.26 -5.07 116.67 109.74 1wfi s ASP 118 Ca 0.67 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.93 1wfi s ASP 118 Cb -0.08 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 1wfi s ASP 118 CO 0.50 -0.35 0.00 -1.54 -0.17 0.00 0.00 175.17 173.61 1wfi n SER 119 N 0.48 2.02 -1.16 -0.34 3.41 -1.26 -5.15 113.62 111.63 1wfi n SER 119 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1wfi n SER 119 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1wfi n SER 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wfi n GLU 120 N -2.32 -3.00 -4.35 4.33 2.13 -1.26 -5.05 120.64 111.12 1wfi n GLU 120 Ca 0.00 2.23 -0.24 0.00 0.66 0.00 0.00 57.16 59.81 1wfi n GLU 120 Cb 0.33 -2.35 -0.08 0.00 0.27 0.00 0.00 31.44 29.60 1wfi n GLU 120 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1wfi s THR 121 N -1.15 2.87 0.00 6.31 2.01 -1.26 -5.14 115.64 119.28 1wfi s THR 121 Ca 0.00 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 59.96 1wfi s THR 121 Cb 0.00 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1wfi s THR 121 CO 0.00 -0.30 0.00 0.54 -0.69 0.00 0.00 174.62 174.17 1wfi n ARG 122 N -0.87 0.00 -4.25 4.92 5.12 -1.26 -5.19 116.66 115.13 1wfi n ARG 122 Ca -0.05 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.73 1wfi n ARG 122 Cb 0.61 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.81 1wfi n ARG 122 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wfi s SER 123 N 0.00 0.61 -0.22 0.55 0.01 -1.26 -5.17 113.70 108.22 1wfi s SER 123 Ca 0.00 -1.37 -0.27 0.00 1.31 0.00 0.00 55.95 55.62 1wfi s SER 123 Cb 0.00 0.28 0.10 0.00 0.21 0.00 0.00 66.02 66.61 1wfi s SER 123 CO 0.00 -0.78 0.88 -0.32 0.41 0.00 0.00 173.24 173.43 1wfi s MET 124 N -4.10 0.71 0.00 12.44 1.75 -1.26 -5.17 119.30 123.67 1wfi s MET 124 Ca 0.37 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 55.39 1wfi s MET 124 Cb 0.07 0.34 0.00 0.00 2.84 0.00 0.00 34.83 38.08 1wfi s MET 124 CO 0.12 -0.14 0.00 1.33 -0.65 0.00 0.00 175.02 175.68 1wfi n VAL 125 N 1.86 0.00 0.00 10.11 0.24 -1.26 -5.17 118.33 124.11 1wfi n VAL 125 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1wfi n VAL 125 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1wfi n VAL 125 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wfi n SER 126 N 0.00 0.00 -3.87 -1.34 7.64 -1.26 -5.17 113.62 109.62 1wfi n SER 126 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1wfi n SER 126 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1wfi n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfi s GLY 127 N 0.00 0.01 0.64 0.23 0.00 -1.26 -5.16 107.32 101.77 1wfi s GLY 127 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 1wfi s GLY 127 CO 0.00 -0.01 0.70 -1.55 0.00 0.00 0.00 173.10 172.24 1wfi n PRO 128 N 2.74 -1.49 -3.86 2.90 -0.04 -1.26 -5.11 135.00 128.89 1wfi n PRO 128 Ca -0.15 -1.10 -0.09 0.00 -0.04 0.00 0.00 63.50 62.12 1wfi n PRO 128 Cb 0.59 -0.87 -0.05 0.00 -0.04 0.00 0.00 33.50 33.13 1wfi n PRO 128 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfi s SER 129 N -3.51 -0.13 0.39 3.54 1.04 -1.26 -5.18 113.70 108.59 1wfi s SER 129 Ca 0.42 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1wfi s SER 129 Cb -0.03 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1wfi s SER 129 CO 0.31 -1.01 0.25 -0.55 0.98 0.00 0.00 173.24 173.22 1wfi s SER 130 N -2.93 4.80 0.00 7.02 0.15 -1.26 -5.38 113.70 116.10 1wfi s SER 130 Ca 0.14 -0.83 0.27 0.00 0.70 0.00 0.00 55.95 56.23 1wfi s SER 130 Cb 0.01 -0.62 0.86 0.00 -1.71 0.00 0.00 66.02 64.56 1wfi s SER 130 CO -0.00 -0.51 1.64 0.61 1.20 0.00 0.00 173.24 176.18