#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfi n SER 2 N 0.00 0.00 -0.75 1.61 7.64 -1.26 -5.17 113.62 115.68 1wfi n SER 2 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1wfi n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1wfi n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfi n SER 3 N 0.00 -4.46 0.00 6.43 7.64 -1.26 -4.93 113.62 117.04 1wfi n SER 3 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1wfi n SER 3 Cb 0.00 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.74 1wfi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfi n GLY 4 N -3.41 1.05 3.64 0.23 0.00 -1.26 -4.99 105.19 100.45 1wfi n GLY 4 Ca -0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 1wfi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfi s SER 5 N -1.00 -0.58 0.00 1.61 0.15 -1.26 -3.83 113.70 108.79 1wfi s SER 5 Ca 0.00 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1wfi s SER 5 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1wfi s SER 5 CO 0.00 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1wfi n SER 6 N 3.11 0.00 0.00 5.45 7.64 -1.26 -5.01 113.62 123.55 1wfi n SER 6 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wfi n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1wfi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfi n GLY 7 N 0.00 2.59 0.00 0.23 0.00 -1.26 -4.65 105.19 102.09 1wfi n GLY 7 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1wfi n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfi n PRO 8 N -1.37 0.63 0.00 1.61 -0.04 -1.26 -4.86 135.00 129.71 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 -0.74 0.00 -4.66 3.54 3.02 -1.26 -4.67 115.26 110.49 1wfi n ASN 9 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 1wfi n ASN 9 Cb 0.00 0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.76 2.75 0.04 3.10 1.13 -1.26 -4.89 117.35 116.47 1wfi s TYR 10 Ca 0.00 -0.20 -0.00 0.00 -1.41 0.00 0.00 57.07 55.45 1wfi s TYR 10 Cb 0.00 -1.24 -0.04 0.00 -1.10 0.00 0.00 41.96 39.58 1wfi s TYR 10 CO 0.00 0.60 0.19 -0.98 -2.51 0.00 0.00 175.55 172.84 1wfi s ARG 11 N -3.58 3.38 -0.25 -3.49 1.70 -0.93 -4.99 118.95 110.79 1wfi s ARG 11 Ca 0.31 -0.43 -0.16 0.00 -0.47 0.00 0.00 55.73 54.97 1wfi s ARG 11 Cb -0.07 -3.02 0.07 0.00 -0.57 0.00 0.00 34.95 31.36 1wfi s ARG 11 CO 0.20 0.62 0.62 1.67 -1.08 0.00 0.00 175.30 177.34 1wfi s TRP 12 N -1.44 -0.88 0.00 5.89 1.48 -1.26 -0.96 118.94 121.76 1wfi s TRP 12 Ca 0.32 1.87 0.00 0.00 -1.06 0.00 0.00 56.10 57.23 1wfi s TRP 12 Cb -0.13 0.46 0.00 0.00 -1.16 0.00 0.00 33.47 32.64 1wfi s TRP 12 CO 0.25 -0.44 0.00 0.25 -4.06 0.00 0.00 176.95 172.94 1wfi n THR 13 N 3.87 0.00 0.00 0.66 -2.24 0.45 -4.94 114.28 112.08 1wfi n THR 13 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 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 0.00 -0.97 -0.78 10.64 -1.26 -0.71 117.38 124.30 1wfi n GLN 14 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 1wfi n GLN 14 Cb 0.00 0.00 0.18 0.00 -0.86 0.00 0.00 30.24 29.56 1wfi n GLN 14 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1wfi n THR 15 N -0.03 2.69 -0.99 -0.39 5.66 -0.85 -4.87 114.28 115.50 1wfi n THR 15 Ca 0.00 -2.77 0.00 0.00 -3.05 0.00 0.00 64.05 58.23 1wfi n THR 15 Cb 0.00 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 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 -1.10 0.58 0.00 1.09 4.77 -1.26 -4.58 117.00 116.50 1wfi n LEU 16 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1wfi n LEU 16 Cb 1.09 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1wfi n LEU 16 CO 0.28 -0.57 -0.03 0.00 -1.33 0.00 0.00 177.39 175.74 1wfi n ALA 17 N 1.00 3.00 -2.57 -1.18 0.00 -1.26 -2.83 120.51 116.66 1wfi n ALA 17 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1wfi n ALA 17 Cb 0.28 0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.00 2.06 -0.13 0.00 2.02 -1.26 -3.65 118.70 115.74 1wfi s GLU 18 Ca 0.00 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 53.44 1wfi s GLU 18 Cb 0.00 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.24 1wfi s GLU 18 CO 0.00 0.34 -0.17 -0.51 0.02 0.00 0.00 175.26 174.93 1wfi s LEU 19 N -3.62 1.86 0.09 1.80 1.43 -0.51 -2.01 118.68 117.73 1wfi s LEU 19 Ca 0.31 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1wfi s LEU 19 Cb -0.05 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1wfi s LEU 19 CO 0.18 0.02 0.07 -0.62 0.23 0.00 0.00 176.35 176.23 1wfi s ASP 20 N 1.06 5.47 -0.15 2.29 2.15 0.11 0.49 116.67 128.09 1wfi s ASP 20 Ca -0.04 -0.04 -0.17 0.00 0.43 0.00 0.00 52.55 52.74 1wfi s ASP 20 Cb -0.15 -1.45 0.04 0.00 -0.30 0.00 0.00 42.92 41.07 1wfi s ASP 20 CO -0.04 0.17 0.46 -0.22 -0.17 0.00 0.00 175.17 175.36 1wfi s LEU 21 N -2.42 0.25 -0.10 -1.34 2.96 0.93 -0.41 118.68 118.55 1wfi s LEU 21 Ca 0.29 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.98 1wfi s LEU 21 Cb -0.12 1.61 0.05 0.00 0.50 0.00 0.00 46.19 48.23 1wfi s LEU 21 CO 0.22 -0.22 0.20 0.00 -1.32 0.00 0.00 176.35 175.22 1wfi s ALA 22 N -0.04 -0.34 -0.32 5.97 0.00 -0.14 0.16 121.76 127.06 1wfi s ALA 22 Ca -0.02 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1wfi s ALA 22 Cb -0.03 -0.85 0.09 0.00 0.00 0.00 0.00 23.12 22.33 1wfi s ALA 22 CO 0.02 -0.54 0.01 0.08 0.00 0.00 0.00 175.76 175.33 1wfi s VAL 23 N 2.18 2.20 0.27 0.00 1.01 0.22 -2.20 120.40 124.10 1wfi s VAL 23 Ca 0.01 -2.15 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 1wfi s VAL 23 Cb -0.12 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1wfi s VAL 23 CO -0.07 -0.47 1.08 -2.16 0.00 0.00 0.00 175.10 173.48 1wfi s PRO 24 N 0.97 4.66 -0.03 2.72 0.04 -1.26 -0.26 135.00 141.84 1wfi s PRO 24 Ca 0.06 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1wfi s PRO 24 Cb -0.19 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1wfi s PRO 24 CO -0.08 0.24 -0.22 -0.06 0.04 0.00 0.00 177.00 176.92 1wfi s PHE 25 N -1.11 2.03 -1.17 0.56 0.08 -0.53 -4.93 117.98 112.91 1wfi s PHE 25 Ca 0.44 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.83 1wfi s PHE 25 Cb -0.31 -1.32 0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1wfi s PHE 25 CO 0.40 -0.09 1.66 1.03 -0.10 0.00 0.00 175.22 178.13 1wfi s ARG 26 N -0.38 3.65 0.22 0.44 0.52 -1.26 -4.74 118.95 117.39 1wfi s ARG 26 Ca 0.05 -1.53 0.08 0.00 -0.52 0.00 0.00 55.73 53.81 1wfi s ARG 26 Cb -0.10 -5.43 -0.05 0.00 0.52 0.00 0.00 34.95 29.90 1wfi s ARG 26 CO 0.00 -2.44 -0.15 0.14 0.02 0.00 0.00 175.30 172.87 1wfi s VAL 27 N 5.36 1.87 -1.08 3.52 -7.23 -1.26 -5.03 120.40 116.54 1wfi s VAL 27 Ca 0.53 -2.25 0.13 0.00 -1.81 0.00 0.00 61.98 58.58 1wfi s VAL 27 Cb 0.02 -2.09 0.36 0.00 0.56 0.00 0.00 36.38 35.23 1wfi s VAL 27 CO 0.02 -0.56 1.30 -1.20 -0.31 0.00 0.00 175.10 174.35 1wfi n SER 28 N -0.42 3.10 -4.17 4.85 7.64 -1.26 -4.99 113.62 118.37 1wfi n SER 28 Ca -0.07 -2.01 -0.11 0.00 1.01 0.00 0.00 58.87 57.69 1wfi n SER 28 Cb 0.60 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.02 0.93 -0.97 1.43 -0.12 -1.26 -5.08 117.98 111.89 1wfi s PHE 29 Ca 0.27 -1.14 -0.24 0.00 -0.05 0.00 0.00 56.93 55.78 1wfi s PHE 29 Cb 0.14 -0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 1wfi s PHE 29 CO 0.18 -0.39 1.71 1.03 -0.05 0.00 0.00 175.22 177.70 1wfi s ARG 30 N -3.98 3.07 0.14 1.99 3.00 -1.25 -4.70 118.95 117.22 1wfi s ARG 30 Ca 0.22 -0.74 -0.32 0.00 0.00 0.00 0.00 55.73 54.89 1wfi s ARG 30 Cb 0.07 -5.22 -0.17 0.00 0.00 0.00 0.00 34.95 29.63 1wfi s ARG 30 CO 0.01 -2.81 0.81 1.28 0.00 0.00 0.00 175.30 174.58 1wfi n LEU 31 N 11.46 -0.27 0.00 2.53 4.77 -1.00 -4.95 117.00 129.55 1wfi n LEU 31 Ca 0.37 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.49 1wfi n LEU 31 Cb 0.49 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1wfi n LEU 31 CO 0.63 -2.32 0.00 0.29 -1.33 0.00 0.00 177.39 174.67 1wfi n LYS 32 N 1.25 0.86 -1.34 3.23 4.76 -1.26 -4.77 118.16 120.88 1wfi n LYS 32 Ca 0.18 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.33 1wfi n LYS 32 Cb 0.20 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.50 1wfi n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfi n GLY 33 N 5.00 5.51 1.36 0.72 0.00 -1.26 -4.28 105.19 112.24 1wfi n GLY 33 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.97 0.00 0.00 1.61 2.85 -1.26 -4.75 118.16 115.64 1wfi n LYS 34 Ca 0.57 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.88 1wfi n LYS 34 Cb 0.98 -0.23 0.20 0.00 -0.65 0.00 0.00 35.03 35.34 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 -2.40 0.00 -4.79 -5.58 9.92 -1.26 -4.64 116.55 107.80 1wfi n ASP 35 Ca 0.00 0.45 -0.22 0.00 -0.53 0.00 0.00 54.79 54.49 1wfi n ASP 35 Cb 0.11 -0.47 -0.05 0.00 -0.64 0.00 0.00 41.12 40.07 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wfi s VAL 36 N -2.94 3.47 -0.31 2.53 0.11 -1.26 -1.10 120.40 120.90 1wfi s VAL 36 Ca 0.05 -1.53 -0.02 0.00 -2.93 0.00 0.00 61.98 57.56 1wfi s VAL 36 Cb 0.06 -3.12 0.10 0.00 -1.53 0.00 0.00 36.38 31.90 1wfi s VAL 36 CO 0.16 -0.21 0.12 0.54 -3.33 0.00 0.00 175.10 172.37 1wfi s VAL 37 N -2.33 0.55 -0.50 2.04 0.11 0.60 -4.57 120.40 116.31 1wfi s VAL 37 Ca 0.38 -1.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1wfi s VAL 37 Cb -0.05 -1.43 0.13 0.00 -1.53 0.00 0.00 36.38 33.50 1wfi s VAL 37 CO 0.24 -0.71 0.25 -0.69 -3.33 0.00 0.00 175.10 170.87 1wfi s VAL 38 N 1.73 2.84 -0.41 2.04 1.01 -1.25 0.71 120.40 127.07 1wfi s VAL 38 Ca 0.10 -2.92 -0.16 0.00 0.00 0.00 0.00 61.98 59.00 1wfi s VAL 38 Cb -0.17 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1wfi s VAL 38 CO -0.28 -0.76 0.36 -0.62 0.00 0.00 0.00 175.10 173.79 1wfi s ASP 39 N 0.37 6.14 -0.52 3.32 -1.08 0.60 -4.95 116.67 120.55 1wfi s ASP 39 Ca 0.15 -0.80 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 1wfi s ASP 39 Cb -0.23 -2.19 0.13 0.00 -1.46 0.00 0.00 42.92 39.18 1wfi s ASP 39 CO -0.03 -0.50 0.40 -0.63 0.52 0.00 0.00 175.17 174.93 1wfi s ILE 40 N 1.87 4.32 0.54 4.11 1.01 -1.26 0.08 121.20 131.87 1wfi s ILE 40 Ca 0.08 -1.96 0.04 0.00 0.00 0.00 0.00 60.65 58.81 1wfi s ILE 40 Cb -0.18 -3.82 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1wfi s ILE 40 CO 0.11 -0.81 0.75 -1.10 0.00 0.00 0.00 174.94 173.89 1wfi s GLN 41 N 1.11 2.47 0.12 2.79 -1.52 0.23 -4.74 119.66 120.13 1wfi s GLN 41 Ca 0.08 -1.07 -0.29 0.00 -1.95 0.00 0.00 55.36 52.13 1wfi s GLN 41 Cb -0.24 -2.56 -0.07 0.00 -0.22 0.00 0.00 33.01 29.91 1wfi s GLN 41 CO -0.02 -0.71 1.59 -0.09 -0.25 0.00 0.00 175.29 175.82 1wfi h ARG 42 N 0.16 -0.53 -1.53 2.91 9.65 -1.97 -3.21 114.38 119.85 1wfi h ARG 42 Ca -0.39 0.04 -0.52 0.00 -1.10 0.00 0.00 59.98 58.01 1wfi h ARG 42 Cb 1.29 0.12 -0.41 0.00 -1.39 0.00 0.00 29.97 29.57 1wfi h ARG 42 CO 0.47 -0.35 -0.89 -2.13 2.80 0.00 0.00 179.97 179.87 1wfi n ARG 43 N -5.44 2.56 -3.36 0.20 0.63 -1.26 0.26 116.66 110.25 1wfi n ARG 43 Ca -0.05 -4.12 0.02 0.00 -0.92 0.00 0.00 57.85 52.77 1wfi n ARG 43 Cb 0.36 -1.92 -0.04 0.00 0.45 0.00 0.00 32.46 31.31 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 -3.32 -0.55 -0.11 -0.14 2.46 -1.21 -2.96 115.29 109.45 1wfi s HIS 44 Ca 0.42 0.96 0.01 0.00 0.47 0.00 0.00 55.06 56.92 1wfi s HIS 44 Cb 0.39 0.33 -0.01 0.00 -0.13 0.00 0.00 32.58 33.16 1wfi s HIS 44 CO -0.11 -0.27 -0.16 -1.17 -2.47 0.00 0.00 174.74 170.56 1wfi s LEU 45 N 2.34 2.58 -0.04 8.88 2.96 -0.66 0.76 118.68 135.51 1wfi s LEU 45 Ca -0.02 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1wfi s LEU 45 Cb -0.05 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.11 1wfi s LEU 45 CO -0.17 0.19 0.06 -0.60 -1.32 0.00 0.00 176.35 174.51 1wfi s ARG 46 N 0.17 -0.05 -0.17 1.98 3.52 0.11 -2.20 118.95 122.30 1wfi s ARG 46 Ca -0.09 0.33 -0.05 0.00 -0.13 0.00 0.00 55.73 55.80 1wfi s ARG 46 Cb -0.15 -0.40 0.06 0.00 -1.56 0.00 0.00 34.95 32.90 1wfi s ARG 46 CO 0.05 -0.27 0.10 0.08 -0.81 0.00 0.00 175.30 174.45 1wfi s VAL 47 N 1.80 -0.10 0.33 7.11 1.01 -0.17 0.22 120.40 130.61 1wfi s VAL 47 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1wfi s VAL 47 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1wfi s VAL 47 CO -0.03 -0.28 0.47 -0.83 0.00 0.00 0.00 175.10 174.43 1wfi s GLY 48 N 2.15 1.39 -0.34 4.51 0.00 0.22 -0.71 107.32 114.54 1wfi s GLY 48 Ca 0.02 -1.46 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1wfi s GLY 48 CO -0.09 -0.97 0.20 1.08 0.00 0.00 0.00 173.10 173.32 1wfi s LEU 49 N -3.21 4.45 -0.23 0.66 1.43 -1.26 0.22 118.68 120.74 1wfi s LEU 49 Ca 0.30 -0.68 -0.37 0.00 -1.03 0.00 0.00 54.13 52.35 1wfi s LEU 49 Cb -0.00 -2.05 -0.17 0.00 0.03 0.00 0.00 46.19 44.00 1wfi s LEU 49 CO 0.19 -0.28 1.15 0.29 0.23 0.00 0.00 176.35 177.93 1wfi n LYS 50 N 5.02 0.00 0.00 1.70 5.02 -0.26 0.33 118.16 129.98 1wfi n LYS 50 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1wfi n LYS 50 Cb 0.48 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 2.42 2.81 4.01 0.72 0.00 -1.26 -4.93 105.19 108.96 1wfi n GLY 51 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.07 2.74 0.11 1.61 -1.52 1.00 -5.07 119.66 118.46 1wfi s GLN 52 Ca 0.00 -1.31 -0.30 0.00 -1.95 0.00 0.00 55.36 51.80 1wfi s GLN 52 Cb 0.00 -2.74 -0.06 0.00 -0.22 0.00 0.00 33.01 29.99 1wfi s GLN 52 CO 0.00 -0.37 1.14 -1.25 -0.25 0.00 0.00 175.29 174.57 1wfi s PRO 53 N -4.40 4.51 0.39 2.91 0.04 -1.26 -4.23 135.00 132.96 1wfi s PRO 53 Ca 0.56 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 1wfi s PRO 53 Cb -0.09 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1wfi s PRO 53 CO 0.34 -0.10 1.05 -1.25 0.04 0.00 0.00 177.00 177.09 1wfi s PRO 54 N 0.38 4.19 -0.05 0.56 0.04 -1.26 -4.24 135.00 134.62 1wfi s PRO 54 Ca 0.54 1.54 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1wfi s PRO 54 Cb -0.29 -2.58 -0.25 0.00 0.04 0.00 0.00 34.50 31.41 1wfi s PRO 54 CO 0.32 -0.12 0.62 0.28 0.04 0.00 0.00 177.00 178.14 1wfi h VAL 55 N 2.25 0.86 -3.65 -0.36 2.07 -1.29 -3.46 116.25 112.66 1wfi h VAL 55 Ca -0.48 -2.62 -0.67 0.00 0.82 0.00 0.00 66.70 63.75 1wfi h VAL 55 Cb 1.22 2.54 -0.26 0.00 -1.52 0.00 0.00 31.29 33.27 1wfi h VAL 55 CO 0.63 0.72 -0.78 -0.69 0.02 0.00 0.00 177.57 177.46 1wfi s VAL 56 N -2.59 2.98 -0.31 2.57 1.01 -0.68 -4.83 120.40 118.55 1wfi s VAL 56 Ca -0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1wfi s VAL 56 Cb 0.07 -2.21 0.19 0.00 0.00 0.00 0.00 36.38 34.43 1wfi s VAL 56 CO 0.81 0.56 1.09 -0.62 0.00 0.00 0.00 175.10 176.94 1wfi s ASP 57 N -0.13 -0.25 0.00 3.32 -1.08 -1.08 -1.00 116.67 116.45 1wfi s ASP 57 Ca -0.01 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 1wfi s ASP 57 Cb -0.14 0.75 0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1wfi s ASP 57 CO 0.04 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.30 1wfi n GLY 58 N 4.37 1.06 3.77 2.66 0.00 -0.94 -3.89 105.19 112.22 1wfi n GLY 58 Ca 0.08 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 0.38 1.61 2.12 -1.26 -1.66 118.70 121.97 1wfi s GLU 59 Ca 0.00 1.94 -0.25 0.00 0.36 0.00 0.00 54.97 57.03 1wfi s GLU 59 Cb 0.00 -2.75 -0.09 0.00 0.26 0.00 0.00 34.13 31.55 1wfi s GLU 59 CO 0.00 -0.33 1.03 -0.51 -0.54 0.00 0.00 175.26 174.91 1wfi s LEU 60 N -2.37 4.20 0.00 2.70 2.01 -1.16 0.20 118.68 124.26 1wfi s LEU 60 Ca 0.56 2.00 0.05 0.00 0.01 0.00 0.00 54.13 56.75 1wfi s LEU 60 Cb -0.33 -4.12 0.20 0.00 0.01 0.00 0.00 46.19 41.95 1wfi s LEU 60 CO 0.42 -0.38 1.10 0.00 1.01 0.00 0.00 176.35 178.50 1wfi n TYR 61 N 0.12 0.00 -3.55 0.29 4.19 -1.26 -4.48 117.16 112.48 1wfi n TYR 61 Ca 0.04 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.24 1wfi n TYR 61 Cb 0.49 -0.44 -0.05 0.00 0.49 0.00 0.00 39.34 39.83 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 -2.88 -0.65 -0.35 2.98 3.84 -1.26 -5.05 114.94 111.56 1wfi s ASN 62 Ca 0.03 0.97 -0.32 0.00 0.21 0.00 0.00 52.86 53.74 1wfi s ASN 62 Cb 0.03 1.53 -0.14 0.00 -0.55 0.00 0.00 41.25 42.12 1wfi s ASN 62 CO 0.08 -0.14 1.22 -0.62 -2.79 0.00 0.00 177.10 174.84 1wfi n GLU 63 N 4.45 0.00 -4.00 0.43 1.02 -1.26 -4.67 120.64 116.62 1wfi n GLU 63 Ca -0.14 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.65 1wfi n GLU 63 Cb 0.55 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.81 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 2.64 4.62 -0.31 2.62 -7.23 0.72 -1.21 120.40 122.25 1wfi s VAL 64 Ca 0.76 -0.09 -0.27 0.00 -1.81 0.00 0.00 61.98 60.57 1wfi s VAL 64 Cb -1.05 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 32.74 1wfi s VAL 64 CO 0.54 0.44 2.26 -0.75 -0.31 0.00 0.00 175.10 177.28 1wfi s LYS 65 N 0.63 2.80 0.35 4.82 2.20 0.52 -4.14 119.74 126.92 1wfi s LYS 65 Ca 0.03 1.79 0.10 0.00 -0.36 0.00 0.00 55.97 57.53 1wfi s LYS 65 Cb -0.13 -4.43 0.63 0.00 -1.51 0.00 0.00 37.83 32.39 1wfi s LYS 65 CO 0.02 -2.48 1.79 -0.39 -0.36 0.00 0.00 175.35 173.93 1wfi h VAL 66 N 7.31 1.28 -0.02 4.02 -1.51 -1.84 -1.77 116.25 123.71 1wfi h VAL 66 Ca -0.35 -1.32 -0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1wfi h VAL 66 Cb 1.24 1.64 -0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1wfi h VAL 66 CO 1.03 0.38 -0.12 -0.33 -1.23 0.00 0.00 177.57 177.31 1wfi h GLU 67 N 0.09 0.03 -0.19 5.19 5.08 -1.92 -0.22 114.58 122.64 1wfi h GLU 67 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wfi h GLU 67 Cb 0.68 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1wfi h GLU 67 CO 0.05 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.60 1wfi n GLU 68 N -4.39 2.31 -3.36 2.33 -0.58 -0.82 -4.91 120.64 111.23 1wfi n GLU 68 Ca -0.02 -1.94 -0.38 0.00 -0.42 0.00 0.00 57.16 54.39 1wfi n GLU 68 Cb 0.20 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 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 -1.75 6.91 -0.16 1.62 0.01 -0.09 -4.58 113.70 115.67 1wfi s SER 69 Ca 0.34 1.09 -0.11 0.00 1.31 0.00 0.00 55.95 58.57 1wfi s SER 69 Cb 0.21 -2.31 0.05 0.00 0.21 0.00 0.00 66.02 64.18 1wfi s SER 69 CO 0.31 0.24 0.40 -0.44 0.41 0.00 0.00 173.24 174.16 1wfi s SER 70 N -0.79 -0.46 0.30 2.44 0.01 -0.57 -4.96 113.70 109.68 1wfi s SER 70 Ca 0.27 0.84 0.10 0.00 1.31 0.00 0.00 55.95 58.47 1wfi s SER 70 Cb -0.18 0.79 -0.06 0.00 0.21 0.00 0.00 66.02 66.78 1wfi s SER 70 CO 0.16 -0.17 -0.13 -1.66 0.41 0.00 0.00 173.24 171.85 1wfi s TRP 71 N 0.82 2.26 0.15 2.43 1.48 -1.26 -0.45 118.94 124.37 1wfi s TRP 71 Ca -0.05 -0.47 -0.24 0.00 -1.06 0.00 0.00 56.10 54.29 1wfi s TRP 71 Cb -0.06 -1.16 0.07 0.00 -1.16 0.00 0.00 33.47 31.16 1wfi s TRP 71 CO -0.06 0.58 0.65 -0.48 -4.06 0.00 0.00 176.95 173.58 1wfi s LEU 72 N -3.53 -0.51 -0.42 -4.66 0.05 0.31 -4.97 118.68 104.94 1wfi s LEU 72 Ca 0.30 -0.07 -0.10 0.00 0.05 0.00 0.00 54.13 54.31 1wfi s LEU 72 Cb -0.00 2.54 0.07 0.00 -2.05 0.00 0.00 46.19 46.75 1wfi s LEU 72 CO 0.15 -0.96 0.28 -0.63 -0.55 0.00 0.00 176.35 174.63 1wfi s ILE 73 N -3.68 4.44 0.23 1.48 1.01 -1.26 0.19 121.20 123.61 1wfi s ILE 73 Ca 0.03 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.09 1wfi s ILE 73 Cb -0.01 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1wfi s ILE 73 CO -0.10 -0.50 1.18 -1.61 0.00 0.00 0.00 174.94 173.91 1wfi s GLU 74 N 1.48 4.52 -0.23 2.79 2.02 0.60 -2.86 118.70 127.01 1wfi s GLU 74 Ca 0.03 1.88 0.00 0.00 0.02 0.00 0.00 54.97 56.90 1wfi s GLU 74 Cb -0.23 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1wfi s GLU 74 CO 0.03 -0.01 0.00 -0.25 0.02 0.00 0.00 175.26 175.06 1wfi n ASP 75 N 1.97 -1.43 -4.29 -0.19 8.00 -1.26 -0.31 116.55 119.05 1wfi n ASP 75 Ca 0.02 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.58 1wfi n ASP 75 Cb 0.44 -1.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.05 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 -0.46 -0.14 1.45 0.44 0.00 -1.14 -4.71 105.19 100.64 1wfi n GLY 76 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.56 0.00 -4.66 1.61 2.85 0.57 -2.37 118.16 111.61 1wfi n LYS 77 Ca -0.32 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.63 1wfi n LYS 77 Cb 0.69 -0.13 -0.12 0.00 -0.65 0.00 0.00 35.03 34.82 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 -1.73 2.96 -0.28 0.58 -7.23 -1.06 -1.45 120.40 112.19 1wfi s VAL 78 Ca 0.00 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 58.97 1wfi s VAL 78 Cb 0.00 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1wfi s VAL 78 CO 0.00 0.38 0.34 -0.69 -0.31 0.00 0.00 175.10 174.82 1wfi s VAL 79 N -0.91 5.20 -0.15 1.32 1.01 0.64 -0.29 120.40 127.21 1wfi s VAL 79 Ca 0.15 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1wfi s VAL 79 Cb -0.11 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1wfi s VAL 79 CO 0.05 0.13 0.07 0.42 0.00 0.00 0.00 175.10 175.77 1wfi s THR 80 N 2.01 4.87 0.05 3.92 -4.23 0.52 0.73 115.64 123.51 1wfi s THR 80 Ca 0.13 -0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.71 1wfi s THR 80 Cb -0.16 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 1wfi s THR 80 CO 0.10 0.52 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.78 1wfi s VAL 81 N -0.18 1.89 -0.27 2.29 1.01 0.42 0.11 120.40 125.67 1wfi s VAL 81 Ca 0.08 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 1wfi s VAL 81 Cb -0.12 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.71 1wfi s VAL 81 CO 0.01 0.26 0.05 -2.28 0.00 0.00 0.00 175.10 173.14 1wfi s HIS 82 N -0.82 1.90 0.41 5.22 5.04 0.41 -0.05 115.29 127.40 1wfi s HIS 82 Ca 0.09 -1.67 -0.02 0.00 -1.54 0.00 0.00 55.06 51.92 1wfi s HIS 82 Cb -0.09 -1.65 -0.03 0.00 0.04 0.00 0.00 32.58 30.84 1wfi s HIS 82 CO 0.02 -0.81 0.66 -0.51 -2.34 0.00 0.00 174.74 171.76 1wfi s LEU 83 N 1.55 3.81 -0.19 8.88 2.01 0.18 -1.51 118.68 133.42 1wfi s LEU 83 Ca 0.04 0.62 -0.04 0.00 0.01 0.00 0.00 54.13 54.76 1wfi s LEU 83 Cb -0.18 -3.52 0.06 0.00 0.01 0.00 0.00 46.19 42.57 1wfi s LEU 83 CO -0.16 -0.46 0.07 -0.70 1.01 0.00 0.00 176.35 176.11 1wfi s GLU 84 N -4.52 0.34 0.53 1.70 -6.30 -1.26 -1.42 118.70 107.77 1wfi s GLU 84 Ca 0.44 -0.29 -0.22 0.00 -2.50 0.00 0.00 54.97 52.40 1wfi s GLU 84 Cb -0.10 -1.91 -0.05 0.00 0.00 0.00 0.00 34.13 32.07 1wfi s GLU 84 CO 0.40 -0.69 1.37 1.63 0.02 0.00 0.00 175.26 177.98 1wfi n LYS 85 N 5.17 1.78 0.14 4.30 5.02 -1.24 0.19 118.16 133.52 1wfi n LYS 85 Ca -0.08 0.65 -0.01 0.00 -2.02 0.00 0.00 58.31 56.86 1wfi n LYS 85 Cb 0.47 -2.58 0.18 0.00 -0.02 0.00 0.00 35.03 33.08 1wfi n LYS 85 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1wfi h ILE 86 N 1.56 1.42 0.00 -0.18 1.08 -1.43 -3.21 117.51 116.76 1wfi h ILE 86 Ca -0.51 -2.07 -0.32 0.00 -0.39 0.00 0.00 64.86 61.58 1wfi h ILE 86 Cb 1.30 2.12 -0.06 0.00 -3.07 0.00 0.00 36.82 37.11 1wfi h ILE 86 CO 0.58 0.59 -2.26 0.59 -0.69 0.00 0.00 178.15 176.95 1wfi n ASN 87 N -3.81 0.36 -3.19 1.72 4.13 -1.26 -5.02 115.26 108.19 1wfi n ASN 87 Ca -0.01 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.08 1wfi n ASN 87 Cb 0.60 1.03 0.00 0.00 -1.54 0.00 0.00 39.78 39.88 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1wfi n LYS 88 N -2.66 -1.00 0.00 3.52 -0.00 -1.21 -4.73 118.16 112.08 1wfi n LYS 88 Ca -0.29 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1wfi n LYS 88 Cb 1.07 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.75 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wfi n MET 89 N -1.55 0.00 -2.05 -1.58 0.00 -1.13 -4.70 117.12 106.11 1wfi n MET 89 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.24 1wfi n MET 89 Cb 0.43 -0.03 0.14 0.00 0.00 0.00 0.00 33.22 33.77 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 -1.38 1.23 -0.16 3.17 -1.05 -1.26 -4.92 118.70 114.33 1wfi s GLU 90 Ca 0.00 -0.38 -0.03 0.00 -0.15 0.00 0.00 54.97 54.40 1wfi s GLU 90 Cb 0.00 -1.97 -0.02 0.00 -0.44 0.00 0.00 34.13 31.70 1wfi s GLU 90 CO 0.00 -1.98 -0.05 -0.46 0.95 0.00 0.00 175.26 173.72 1wfi s TRP 91 N -3.65 2.98 0.91 4.83 -0.11 -1.26 -4.74 118.94 117.90 1wfi s TRP 91 Ca 0.69 -0.45 -0.12 0.00 1.22 0.00 0.00 56.10 57.44 1wfi s TRP 91 Cb -0.06 -1.97 0.14 0.00 -1.50 0.00 0.00 33.47 30.08 1wfi s TRP 91 CO 0.50 -0.15 1.10 -1.58 -4.62 0.00 0.00 176.95 172.20 1wfi s TRP 92 N 0.56 2.34 -0.02 5.86 0.52 -1.26 -4.98 118.94 121.96 1wfi s TRP 92 Ca -0.04 1.15 0.06 0.00 0.02 0.00 0.00 56.10 57.29 1wfi s TRP 92 Cb -0.15 -3.20 -0.09 0.00 -1.15 0.00 0.00 33.47 28.89 1wfi s TRP 92 CO 0.03 -2.44 0.14 0.09 0.02 0.00 0.00 176.95 174.79 1wfi n ASN 93 N -3.89 3.44 -3.64 2.95 3.02 -1.26 -5.02 115.26 110.86 1wfi n ASN 93 Ca 0.06 -0.04 -0.08 0.00 -0.03 0.00 0.00 54.58 54.50 1wfi n ASN 93 Cb 0.56 1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 40.92 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfi s ARG 94 N -2.36 0.63 0.09 3.52 1.04 -1.26 -5.05 118.95 115.56 1wfi s ARG 94 Ca -0.02 0.96 -0.18 0.00 -1.04 0.00 0.00 55.73 55.45 1wfi s ARG 94 Cb 0.04 0.19 -0.04 0.00 -2.04 0.00 0.00 34.95 33.10 1wfi s ARG 94 CO 0.25 -0.11 0.99 -0.11 -0.04 0.00 0.00 175.30 176.28 1wfi n LEU 95 N 3.55 -0.61 -4.51 -1.89 -0.00 -1.26 -4.48 117.00 107.80 1wfi n LEU 95 Ca -0.17 1.13 -0.24 0.00 -0.00 0.00 0.00 56.01 56.73 1wfi n LEU 95 Cb 0.57 -0.19 -0.11 0.00 -0.00 0.00 0.00 43.42 43.70 1wfi n LEU 95 CO 0.01 -0.89 -0.36 0.68 -0.00 0.00 0.00 177.39 176.83 1wfi s VAL 96 N -4.98 1.94 -0.03 1.96 -7.23 -1.26 -4.14 120.40 106.67 1wfi s VAL 96 Ca -0.07 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 1wfi s VAL 96 Cb 0.06 -2.64 -0.26 0.00 0.56 0.00 0.00 36.38 34.11 1wfi s VAL 96 CO 0.36 -0.20 0.73 0.71 -0.31 0.00 0.00 175.10 176.39 1wfi h THR 97 N 2.08 0.99 -2.94 5.32 1.35 0.20 -3.42 112.91 116.50 1wfi h THR 97 Ca -0.41 -2.71 -0.61 0.00 -0.55 0.00 0.00 66.41 62.12 1wfi h THR 97 Cb 1.24 2.62 -0.40 0.00 -1.73 0.00 0.00 68.15 69.88 1wfi h THR 97 CO 0.71 0.75 -0.74 -0.44 -0.25 0.00 0.00 175.52 175.55 1wfi s SER 98 N -6.73 3.58 0.23 5.36 0.01 -1.26 -4.93 113.70 109.97 1wfi s SER 98 Ca -0.10 -2.93 -0.12 0.00 1.31 0.00 0.00 55.95 54.11 1wfi s SER 98 Cb 0.07 -1.09 -0.08 0.00 0.21 0.00 0.00 66.02 65.14 1wfi s SER 98 CO 0.83 -0.22 0.60 1.51 0.41 0.00 0.00 173.24 176.36 1wfi s ASP 99 N -0.05 6.72 -0.03 2.44 -4.77 -1.26 -3.50 116.67 116.22 1wfi s ASP 99 Ca 0.21 1.05 -0.04 0.00 -3.30 0.00 0.00 52.55 50.47 1wfi s ASP 99 Cb -0.17 -2.28 -0.02 0.00 -1.09 0.00 0.00 42.92 39.36 1wfi s ASP 99 CO -0.06 -0.06 0.31 1.55 0.70 0.00 0.00 175.17 177.62 1wfi h PRO 100 N 2.74 -0.14 -1.93 2.11 0.13 -1.89 -3.50 132.00 129.52 1wfi h PRO 100 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wfi h PRO 100 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wfi h PRO 100 CO 0.67 -0.10 -0.38 0.39 -0.23 0.00 0.00 178.00 178.36 1wfi n GLU 101 N -3.31 -2.13 -3.09 0.86 1.02 -1.26 -5.05 120.64 107.67 1wfi n GLU 101 Ca -0.02 1.66 -0.19 0.00 -0.02 0.00 0.00 57.16 58.59 1wfi n GLU 101 Cb 0.06 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 29.85 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 -0.88 2.54 -0.52 -3.67 1.01 -1.26 -5.01 121.20 113.41 1wfi s ILE 102 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.61 1wfi s ILE 102 Cb 0.00 -2.58 0.50 0.00 0.01 0.00 0.00 42.46 40.39 1wfi s ILE 102 CO 0.00 0.00 1.95 0.59 0.00 0.00 0.00 174.94 177.48 1wfi n ASN 103 N -2.00 5.85 -4.97 3.58 3.02 -1.26 -4.95 115.26 114.53 1wfi n ASN 103 Ca 0.11 -3.58 -0.21 0.00 -0.03 0.00 0.00 54.58 50.86 1wfi n ASN 103 Cb 0.61 -0.91 0.01 0.00 -0.61 0.00 0.00 39.78 38.87 1wfi n ASN 103 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wfi s THR 104 N -3.79 3.99 0.50 3.41 -4.23 -1.26 -4.47 115.64 109.79 1wfi s THR 104 Ca 0.56 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 1wfi s THR 104 Cb 0.45 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1wfi s THR 104 CO 0.04 -0.26 0.70 -0.54 -0.54 0.00 0.00 174.62 174.02 1wfi s LYS 105 N -4.42 2.66 -1.26 3.99 -0.14 -1.25 -3.98 119.74 115.34 1wfi s LYS 105 Ca 0.47 -0.92 -0.15 0.00 -1.36 0.00 0.00 55.97 54.01 1wfi s LYS 105 Cb -0.10 -2.58 0.13 0.00 -1.68 0.00 0.00 37.83 33.60 1wfi s LYS 105 CO 0.35 -0.55 1.60 1.17 -0.76 0.00 0.00 175.35 177.17 1wfi n LYS 106 N -2.17 3.30 0.00 1.68 0.00 -1.26 -4.88 118.16 114.83 1wfi n LYS 106 Ca 0.08 -3.58 0.00 0.00 0.00 0.00 0.00 58.31 54.81 1wfi n LYS 106 Cb 0.59 -3.22 0.00 0.00 0.00 0.00 0.00 35.03 32.41 1wfi n LYS 106 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1wfi n ILE 107 N 5.22 0.00 -3.64 3.15 -5.35 -1.26 -4.77 119.36 112.72 1wfi n ILE 107 Ca 0.42 0.85 -0.10 0.00 -0.27 0.00 0.00 62.75 63.65 1wfi n ILE 107 Cb 0.43 -1.26 -0.07 0.00 -1.74 0.00 0.00 39.64 37.00 1wfi n ILE 107 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1wfi s ASN 108 N -2.50 -0.69 -0.02 7.28 3.84 -1.26 -5.09 114.94 116.49 1wfi s ASN 108 Ca 0.00 1.25 -0.03 0.00 0.21 0.00 0.00 52.86 54.29 1wfi s ASN 108 Cb 0.00 1.28 -0.02 0.00 -0.55 0.00 0.00 41.25 41.96 1wfi s ASN 108 CO 0.00 -0.21 0.29 1.55 -2.79 0.00 0.00 177.10 175.95 1wfi h PRO 109 N 5.36 -0.10 -3.88 0.43 0.13 -1.98 -3.50 132.00 128.45 1wfi h PRO 109 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wfi h PRO 109 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wfi h PRO 109 CO 0.10 -0.07 -0.76 -1.91 -0.23 0.00 0.00 178.00 175.14 1wfi n GLU 110 N -2.93 -4.24 -3.96 0.86 0.00 -1.26 -5.08 120.64 104.03 1wfi n GLU 110 Ca -0.01 3.15 -0.09 0.00 0.00 0.00 0.00 57.16 60.20 1wfi n GLU 110 Cb 0.04 -3.59 -0.10 0.00 0.00 0.00 0.00 31.44 27.79 1wfi n GLU 110 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1wfi s ASN 111 N -0.44 0.23 -0.18 4.31 -0.87 -1.26 -5.16 114.94 111.56 1wfi s ASN 111 Ca 0.00 -0.54 -0.29 0.00 -1.57 0.00 0.00 52.86 50.46 1wfi s ASN 111 Cb 0.00 0.17 0.11 0.00 -0.02 0.00 0.00 41.25 41.52 1wfi s ASN 111 CO 0.00 -0.42 0.95 -0.94 -2.57 0.00 0.00 177.10 174.12 1wfi s SER 112 N -1.87 -0.45 -0.10 -1.22 1.04 -1.26 -5.17 113.70 104.66 1wfi s SER 112 Ca -0.09 0.63 -0.12 0.00 0.48 0.00 0.00 55.95 56.85 1wfi s SER 112 Cb -0.04 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1wfi s SER 112 CO -0.03 -0.32 0.31 -0.54 0.98 0.00 0.00 173.24 173.64 1wfi s LYS 113 N -0.67 0.43 -0.36 4.02 1.02 -1.26 -5.12 119.74 117.80 1wfi s LYS 113 Ca -0.02 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.29 1wfi s LYS 113 Cb -0.02 0.20 0.14 0.00 -0.52 0.00 0.00 37.83 37.64 1wfi s LYS 113 CO 0.01 -0.07 0.24 -0.48 -0.92 0.00 0.00 175.35 174.13 1wfi s LEU 114 N -0.13 0.86 0.04 3.17 -0.00 -1.26 -5.02 118.68 116.34 1wfi s LEU 114 Ca -0.03 -2.18 -0.23 0.00 -0.00 0.00 0.00 54.13 51.70 1wfi s LEU 114 Cb -0.03 -0.27 -0.13 0.00 -0.00 0.00 0.00 46.19 45.76 1wfi s LEU 114 CO 0.01 -0.29 1.34 0.28 -0.00 0.00 0.00 176.35 177.69 1wfi h SER 115 N 6.91 -0.70 -2.02 1.48 0.02 -2.09 -3.46 113.55 113.70 1wfi h SER 115 Ca 0.07 0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.67 1wfi h SER 115 Cb 0.98 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 1wfi h SER 115 CO 0.26 -0.50 -0.44 -0.67 -1.14 0.00 0.00 176.83 174.34 1wfi n ASP 116 N -4.22 -5.40 -4.77 3.07 2.03 -1.26 -4.95 116.55 101.05 1wfi n ASP 116 Ca -0.10 0.17 -0.31 0.00 0.52 0.00 0.00 54.79 55.07 1wfi n ASP 116 Cb 0.33 -4.49 0.09 0.00 -0.72 0.00 0.00 41.12 36.33 1wfi n ASP 116 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wfi s LEU 117 N -5.02 2.92 0.00 -2.67 1.43 -1.26 -5.06 118.68 109.02 1wfi s LEU 117 Ca 0.00 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1wfi s LEU 117 Cb 0.00 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1wfi s LEU 117 CO 0.00 -2.07 0.00 -0.67 0.23 0.00 0.00 176.35 173.84 1wfi n ASP 118 N -3.54 0.35 0.00 2.29 2.03 -1.26 -5.18 116.55 111.24 1wfi n ASP 118 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1wfi n ASP 118 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 -2.29 1.67 7.64 -1.26 -5.17 113.62 114.21 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 1.21 -3.01 0.00 0.00 175.04 173.24 1wfi n GLU 120 N 0.00 2.60 -1.47 1.43 2.13 -1.26 -5.10 120.64 118.97 1wfi n GLU 120 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1wfi n GLU 120 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1wfi n GLU 120 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1wfi n THR 121 N 0.00 0.00 -3.76 6.31 5.66 -1.26 -5.19 114.28 116.04 1wfi n THR 121 Ca 0.00 -0.16 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 1wfi n THR 121 Cb 0.00 0.16 0.01 0.00 -1.55 0.00 0.00 70.33 68.95 1wfi n THR 121 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1wfi n ARG 122 N -0.09 0.90 -3.62 1.09 1.74 -1.26 -5.19 116.66 110.23 1wfi n ARG 122 Ca -0.01 -2.06 -0.10 0.00 -0.77 0.00 0.00 57.85 54.90 1wfi n ARG 122 Cb 0.10 2.41 -0.02 0.00 -1.02 0.00 0.00 32.46 33.92 1wfi n ARG 122 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wfi s SER 123 N -2.82 -0.41 -0.26 0.55 1.04 -1.26 -5.18 113.70 105.35 1wfi s SER 123 Ca 0.17 -0.28 -0.34 0.00 0.48 0.00 0.00 55.95 55.97 1wfi s SER 123 Cb -0.03 0.64 0.17 0.00 0.10 0.00 0.00 66.02 66.89 1wfi s SER 123 CO 0.12 -1.11 1.32 -0.32 0.98 0.00 0.00 173.24 174.24 1wfi s MET 124 N -3.83 0.12 0.00 4.02 1.75 -1.26 -5.18 119.30 114.92 1wfi s MET 124 Ca 0.06 -0.02 0.00 0.00 -1.25 0.00 0.00 55.69 54.48 1wfi s MET 124 Cb -0.03 0.06 0.00 0.00 2.84 0.00 0.00 34.83 37.70 1wfi s MET 124 CO -0.05 -0.05 0.00 1.55 -0.65 0.00 0.00 175.02 175.83 1wfi n VAL 125 N 0.21 0.00 -3.29 10.11 3.14 -1.26 -5.17 118.33 122.07 1wfi n VAL 125 Ca 0.02 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.42 1wfi n VAL 125 Cb 0.58 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.31 1wfi n VAL 125 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wfi s SER 126 N 0.88 -0.21 -0.39 6.55 0.15 -1.26 -5.13 113.70 114.29 1wfi s SER 126 Ca 0.00 0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.98 1wfi s SER 126 Cb 0.00 1.23 0.11 0.00 -1.71 0.00 0.00 66.02 65.65 1wfi s SER 126 CO 0.00 -0.04 0.13 -0.83 1.20 0.00 0.00 173.24 173.70 1wfi s GLY 127 N 2.04 1.85 0.68 9.45 0.00 -1.26 -5.11 107.32 114.97 1wfi s GLY 127 Ca -0.01 -2.54 -0.11 0.00 0.00 0.00 0.00 44.72 42.05 1wfi s GLY 127 CO -0.16 1.17 0.74 -1.55 0.00 0.00 0.00 173.10 173.30 1wfi n PRO 128 N 4.02 -1.55 -4.01 2.90 -0.04 -1.26 -5.11 135.00 129.96 1wfi n PRO 128 Ca 0.04 -1.17 -0.12 0.00 -0.04 0.00 0.00 63.50 62.20 1wfi n PRO 128 Cb 0.39 -0.92 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 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 -3.65 0.53 -0.29 3.54 0.01 -1.26 -5.17 113.70 107.40 1wfi s SER 129 Ca 0.45 -1.31 -0.16 0.00 1.31 0.00 0.00 55.95 56.24 1wfi s SER 129 Cb -0.03 0.69 0.12 0.00 0.21 0.00 0.00 66.02 67.02 1wfi s SER 129 CO 0.33 -1.36 0.86 -0.55 0.41 0.00 0.00 173.24 172.93 1wfi s SER 130 N -3.16 -0.68 0.00 2.44 0.15 -1.26 -5.37 113.70 105.83 1wfi s SER 130 Ca 0.26 1.08 0.24 0.00 0.70 0.00 0.00 55.95 58.23 1wfi s SER 130 Cb -0.02 1.28 0.22 0.00 -1.71 0.00 0.00 66.02 65.80 1wfi s SER 130 CO 0.16 -0.17 1.28 0.61 1.20 0.00 0.00 173.24 176.32