#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 -0.28 -0.19 1.61 0.15 -1.26 -5.19 113.70 108.54 1wfi s SER 2 Ca 0.00 -0.07 -0.36 0.00 0.70 0.00 0.00 55.95 56.22 1wfi s SER 2 Cb 0.00 0.35 0.15 0.00 -1.71 0.00 0.00 66.02 64.81 1wfi s SER 2 CO 0.00 -0.59 1.38 -0.55 1.20 0.00 0.00 173.24 174.68 1wfi s SER 3 N -2.54 -0.02 0.00 5.45 0.15 -1.26 -5.18 113.70 110.30 1wfi s SER 3 Ca 0.07 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wfi s SER 3 Cb -0.01 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1wfi s SER 3 CO -0.06 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1wfi n GLY 4 N -0.22 3.59 2.81 9.45 0.00 -1.26 -5.13 105.19 114.44 1wfi n GLY 4 Ca -0.01 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.32 1.11 0.00 1.61 0.15 -1.26 -5.12 113.70 109.87 1wfi s SER 5 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1wfi s SER 5 Cb 0.00 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1wfi s SER 5 CO 0.00 -0.34 0.00 -1.20 1.20 0.00 0.00 173.24 172.90 1wfi n SER 6 N 5.04 0.00 0.00 5.45 7.64 -1.26 -5.15 113.62 125.34 1wfi n SER 6 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wfi n SER 6 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.01 0.74 0.00 0.23 0.00 -1.26 -4.99 105.19 99.90 1wfi n GLY 7 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.54 0.00 1.61 -0.04 -1.26 -5.06 135.00 130.79 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 -0.92 0.00 -3.87 3.54 3.02 -1.26 -5.14 115.26 110.63 1wfi n ASN 9 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1wfi n ASN 9 Cb 0.00 0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.65 0.18 0.10 3.10 -0.85 -1.26 -4.73 117.35 112.23 1wfi s TYR 10 Ca 0.00 -0.60 0.02 0.00 -0.52 0.00 0.00 57.07 55.96 1wfi s TYR 10 Cb 0.00 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 1wfi s TYR 10 CO 0.00 -0.57 0.19 -0.98 -1.52 0.00 0.00 175.55 172.67 1wfi s ARG 11 N -3.88 3.26 -0.27 -3.49 1.70 -0.98 -5.00 118.95 110.29 1wfi s ARG 11 Ca 0.07 -0.58 -0.17 0.00 -0.47 0.00 0.00 55.73 54.58 1wfi s ARG 11 Cb 0.05 -2.91 0.08 0.00 -0.57 0.00 0.00 34.95 31.59 1wfi s ARG 11 CO -0.09 0.57 0.67 1.67 -1.08 0.00 0.00 175.30 177.04 1wfi s TRP 12 N -1.56 -0.99 0.00 5.89 1.48 -1.26 -1.36 118.94 121.14 1wfi s TRP 12 Ca 0.33 2.04 0.00 0.00 -1.06 0.00 0.00 56.10 57.41 1wfi s TRP 12 Cb -0.12 0.55 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 1wfi s TRP 12 CO 0.26 -0.49 0.00 0.25 -4.06 0.00 0.00 176.95 172.91 1wfi n THR 13 N 4.05 0.00 -3.57 0.66 -2.24 0.29 -4.96 114.28 108.50 1wfi n THR 13 Ca -0.19 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 1wfi n THR 13 Cb 0.58 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.66 0.10 -0.37 -0.78 -2.07 -1.26 -1.34 119.66 113.28 1wfi s GLN 14 Ca 0.00 -0.06 0.12 0.00 -1.82 0.00 0.00 55.36 53.60 1wfi s GLN 14 Cb 0.00 0.04 0.34 0.00 -1.09 0.00 0.00 33.01 32.30 1wfi s GLN 14 CO 0.00 -0.05 0.71 -2.37 -1.32 0.00 0.00 175.29 172.27 1wfi n THR 15 N -0.46 -0.18 -2.51 3.63 5.66 -0.33 -4.92 114.28 115.18 1wfi n THR 15 Ca -0.09 -4.55 -0.02 0.00 -3.05 0.00 0.00 64.05 56.34 1wfi n THR 15 Cb 0.63 -0.43 -0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.37 -0.20 0.00 1.09 7.99 -1.26 -4.13 117.00 120.87 1wfi n LEU 16 Ca 0.25 0.44 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1wfi n LEU 16 Cb 0.65 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 1wfi n LEU 16 CO 0.21 -0.02 0.00 0.00 -1.51 0.00 0.00 177.39 176.07 1wfi n ALA 17 N -2.47 0.00 -1.99 -1.18 0.00 -1.26 -3.46 120.51 110.15 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 3.81 -0.10 0.00 4.04 -1.26 -2.73 118.70 122.46 1wfi s GLU 18 Ca 0.00 0.71 0.03 0.00 0.04 0.00 0.00 54.97 55.75 1wfi s GLU 18 Cb 0.00 -2.23 0.01 0.00 0.02 0.00 0.00 34.13 31.93 1wfi s GLU 18 CO 0.00 -0.24 -0.21 -0.51 -1.84 0.00 0.00 175.26 172.46 1wfi s LEU 19 N -4.22 2.00 0.01 1.83 1.43 0.54 -1.18 118.68 119.09 1wfi s LEU 19 Ca 0.55 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1wfi s LEU 19 Cb -0.10 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1wfi s LEU 19 CO 0.36 0.11 -0.01 -1.81 0.23 0.00 0.00 176.35 175.23 1wfi s ASP 20 N 0.55 5.02 -0.06 2.29 1.01 -0.45 -1.03 116.67 124.00 1wfi s ASP 20 Ca -0.15 -0.06 -0.14 0.00 0.71 0.00 0.00 52.55 52.91 1wfi s ASP 20 Cb -0.17 -1.27 0.03 0.00 1.01 0.00 0.00 42.92 42.52 1wfi s ASP 20 CO 0.05 0.26 0.33 -0.22 0.21 0.00 0.00 175.17 175.81 1wfi s LEU 21 N -1.65 0.74 -0.13 1.23 2.96 -0.52 0.10 118.68 121.42 1wfi s LEU 21 Ca 0.20 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1wfi s LEU 21 Cb -0.11 1.28 0.06 0.00 0.50 0.00 0.00 46.19 47.92 1wfi s LEU 21 CO 0.11 -0.33 0.23 0.00 -1.32 0.00 0.00 176.35 175.04 1wfi s ALA 22 N -0.77 -0.40 -0.42 5.97 0.00 -0.46 -0.60 121.76 125.09 1wfi s ALA 22 Ca -0.09 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1wfi s ALA 22 Cb -0.04 -1.01 0.11 0.00 0.00 0.00 0.00 23.12 22.18 1wfi s ALA 22 CO 0.03 -0.71 0.22 0.08 0.00 0.00 0.00 175.76 175.38 1wfi s VAL 23 N 2.37 3.40 -0.11 0.00 1.01 0.43 -2.33 120.40 125.17 1wfi s VAL 23 Ca 0.03 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.69 1wfi s VAL 23 Cb -0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1wfi s VAL 23 CO -0.08 -0.70 1.25 -2.16 0.00 0.00 0.00 175.10 173.41 1wfi s PRO 24 N 1.17 4.28 -0.09 2.72 0.04 -1.26 0.11 135.00 141.97 1wfi s PRO 24 Ca 0.08 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1wfi s PRO 24 Cb -0.23 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.60 1wfi s PRO 24 CO -0.04 -0.60 -0.05 -0.06 0.04 0.00 0.00 177.00 176.30 1wfi s PHE 25 N 2.95 3.01 -1.18 0.56 0.08 0.40 -4.93 117.98 118.87 1wfi s PHE 25 Ca 0.56 -0.00 -0.20 0.00 0.12 0.00 0.00 56.93 57.40 1wfi s PHE 25 Cb -0.24 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1wfi s PHE 25 CO 0.18 0.29 1.68 0.50 -0.10 0.00 0.00 175.22 177.78 1wfi s ARG 26 N -0.59 3.62 0.15 0.44 3.00 -1.26 -4.68 118.95 119.64 1wfi s ARG 26 Ca 0.09 -1.54 0.08 0.00 -1.00 0.00 0.00 55.73 53.36 1wfi s ARG 26 Cb -0.12 -5.42 -0.04 0.00 0.00 0.00 0.00 34.95 29.37 1wfi s ARG 26 CO 0.02 -2.49 -0.18 0.14 0.00 0.00 0.00 175.30 172.79 1wfi s VAL 27 N 5.53 1.73 -1.52 7.11 -7.23 -1.26 -5.03 120.40 119.73 1wfi s VAL 27 Ca 0.54 -1.85 0.19 0.00 -1.81 0.00 0.00 61.98 59.05 1wfi s VAL 27 Cb 0.02 -1.76 0.57 0.00 0.56 0.00 0.00 36.38 35.76 1wfi s VAL 27 CO 0.02 -0.30 1.48 -0.24 -0.31 0.00 0.00 175.10 175.75 1wfi n SER 28 N 0.42 3.84 -4.18 4.85 2.88 -1.26 -4.96 113.62 115.21 1wfi n SER 28 Ca -0.14 -2.10 -0.11 0.00 -1.33 0.00 0.00 58.87 55.19 1wfi n SER 28 Cb 0.57 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.19 1.00 -0.42 0.66 -0.12 -1.26 -5.11 117.98 111.53 1wfi s PHE 29 Ca 0.43 -1.25 -0.29 0.00 -0.05 0.00 0.00 56.93 55.77 1wfi s PHE 29 Cb 0.24 -0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1wfi s PHE 29 CO 0.27 -0.51 1.14 1.03 -0.05 0.00 0.00 175.22 177.10 1wfi s ARG 30 N -4.06 3.82 -0.25 1.99 3.00 -1.25 -4.69 118.95 117.51 1wfi s ARG 30 Ca 0.28 0.75 -0.29 0.00 0.00 0.00 0.00 55.73 56.47 1wfi s ARG 30 Cb 0.07 -3.87 -0.02 0.00 0.00 0.00 0.00 34.95 31.13 1wfi s ARG 30 CO 0.05 -1.25 1.60 -0.51 0.00 0.00 0.00 175.30 175.19 1wfi s LEU 31 N 4.29 3.83 0.49 2.53 1.43 -1.03 -4.98 118.68 125.24 1wfi s LEU 31 Ca 0.48 1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 55.03 1wfi s LEU 31 Cb -0.09 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1wfi s LEU 31 CO 0.27 -1.31 0.81 -0.54 0.23 0.00 0.00 176.35 175.82 1wfi s LYS 32 N 4.76 3.59 -0.13 1.70 3.01 -1.26 -4.78 119.74 126.64 1wfi s LYS 32 Ca 0.71 0.31 -0.05 0.00 -1.01 0.00 0.00 55.97 55.93 1wfi s LYS 32 Cb -0.23 -2.34 -0.19 0.00 -1.01 0.00 0.00 37.83 34.05 1wfi s LYS 32 CO 0.29 -0.22 2.86 0.41 0.51 0.00 0.00 175.35 179.21 1wfi n GLY 33 N -2.15 2.65 0.85 -3.33 0.00 -1.26 -2.86 105.19 99.09 1wfi n GLY 33 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 2.75 0.00 -0.30 1.61 2.85 -1.26 -4.81 118.16 118.99 1wfi n LYS 34 Ca 0.36 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.66 1wfi n LYS 34 Cb 0.65 -0.23 0.17 0.00 -0.65 0.00 0.00 35.03 34.97 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 -1.93 2.55 -4.77 -5.58 9.92 -1.13 -4.86 116.55 110.76 1wfi n ASP 35 Ca 0.00 -2.24 -0.23 0.00 -0.53 0.00 0.00 54.79 51.79 1wfi n ASP 35 Cb 0.00 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 39.99 1wfi n ASP 35 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wfi s VAL 36 N -1.69 2.61 -0.11 2.53 1.01 -1.24 -1.98 120.40 121.53 1wfi s VAL 36 Ca 0.24 -1.60 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 1wfi s VAL 36 Cb 0.16 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1wfi s VAL 36 CO 0.11 -0.05 0.21 0.54 0.00 0.00 0.00 175.10 175.91 1wfi s VAL 37 N -2.52 -0.30 -0.35 2.92 0.11 -1.26 -4.57 120.40 114.44 1wfi s VAL 37 Ca 0.42 0.29 0.02 0.00 -2.93 0.00 0.00 61.98 59.78 1wfi s VAL 37 Cb 0.00 -0.37 0.15 0.00 -1.53 0.00 0.00 36.38 34.63 1wfi s VAL 37 CO 0.24 0.12 0.34 -0.69 -3.33 0.00 0.00 175.10 171.79 1wfi s VAL 38 N 2.18 -0.32 -0.72 2.04 1.01 -1.24 -2.62 120.40 120.73 1wfi s VAL 38 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 1wfi s VAL 38 Cb -0.12 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1wfi s VAL 38 CO -0.07 -0.58 1.17 -0.62 0.00 0.00 0.00 175.10 175.00 1wfi s ASP 39 N 1.66 6.17 -0.86 3.32 2.15 0.17 -4.92 116.67 124.37 1wfi s ASP 39 Ca 0.15 -0.67 -0.19 0.00 0.43 0.00 0.00 52.55 52.27 1wfi s ASP 39 Cb -0.15 -2.51 0.13 0.00 -0.30 0.00 0.00 42.92 40.09 1wfi s ASP 39 CO -0.11 -1.69 1.03 -0.63 -0.17 0.00 0.00 175.17 173.60 1wfi s ILE 40 N 5.11 4.78 0.50 4.11 1.01 -1.26 -2.19 121.20 133.26 1wfi s ILE 40 Ca 0.31 -1.47 0.05 0.00 0.00 0.00 0.00 60.65 59.53 1wfi s ILE 40 Cb -0.11 -4.71 0.03 0.00 0.01 0.00 0.00 42.46 37.68 1wfi s ILE 40 CO 0.13 -1.42 0.69 -1.10 0.00 0.00 0.00 174.94 173.24 1wfi s GLN 41 N 2.59 2.64 0.17 2.79 -1.52 0.48 -4.82 119.66 121.98 1wfi s GLN 41 Ca 0.28 -1.04 -0.24 0.00 -1.95 0.00 0.00 55.36 52.41 1wfi s GLN 41 Cb -0.08 -2.61 0.05 0.00 -0.22 0.00 0.00 33.01 30.15 1wfi s GLN 41 CO -0.06 -0.54 1.58 -0.09 -0.25 0.00 0.00 175.29 175.93 1wfi h ARG 42 N 0.32 -0.22 -1.22 2.91 9.65 -1.95 -3.19 114.38 120.68 1wfi h ARG 42 Ca -0.40 0.02 -0.41 0.00 -1.10 0.00 0.00 59.98 58.08 1wfi h ARG 42 Cb 1.29 0.05 -0.40 0.00 -1.39 0.00 0.00 29.97 29.52 1wfi h ARG 42 CO 0.48 -0.15 -1.11 -2.13 2.80 0.00 0.00 179.97 179.86 1wfi n ARG 43 N -5.42 1.54 -3.64 0.20 0.63 -1.26 0.07 116.66 108.78 1wfi n ARG 43 Ca 0.02 -3.50 -0.09 0.00 -0.92 0.00 0.00 57.85 53.35 1wfi n ARG 43 Cb 0.35 -1.47 -0.07 0.00 0.45 0.00 0.00 32.46 31.72 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 -3.13 -0.97 -0.21 -0.14 2.46 -1.21 -1.57 115.29 110.52 1wfi s HIS 44 Ca 0.32 2.06 -0.00 0.00 0.47 0.00 0.00 55.06 57.91 1wfi s HIS 44 Cb 0.43 0.52 0.06 0.00 -0.13 0.00 0.00 32.58 33.46 1wfi s HIS 44 CO -0.01 -0.48 -0.03 -1.17 -2.47 0.00 0.00 174.74 170.57 1wfi s LEU 45 N 1.23 2.06 -0.22 8.88 2.96 -1.22 -0.39 118.68 131.98 1wfi s LEU 45 Ca -0.07 -0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 52.84 1wfi s LEU 45 Cb -0.05 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.66 1wfi s LEU 45 CO -0.13 -0.24 -0.12 -0.60 -1.32 0.00 0.00 176.35 173.94 1wfi s ARG 46 N 1.55 2.97 -0.06 1.98 3.52 -0.93 -3.23 118.95 124.75 1wfi s ARG 46 Ca -0.03 -0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 54.69 1wfi s ARG 46 Cb -0.18 -2.82 0.03 0.00 -1.56 0.00 0.00 34.95 30.42 1wfi s ARG 46 CO -0.07 -0.29 -0.02 0.08 -0.81 0.00 0.00 175.30 174.19 1wfi s VAL 47 N 1.33 0.43 -0.41 7.11 1.01 0.22 0.45 120.40 130.53 1wfi s VAL 47 Ca 0.03 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1wfi s VAL 47 Cb -0.15 -0.54 0.18 0.00 0.00 0.00 0.00 36.38 35.88 1wfi s VAL 47 CO -0.08 0.24 0.67 -0.83 0.00 0.00 0.00 175.10 175.11 1wfi s GLY 48 N 1.55 -1.29 0.00 4.51 0.00 -1.08 0.43 107.32 111.44 1wfi s GLY 48 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1wfi s GLY 48 CO -0.03 3.72 0.00 1.04 0.00 0.00 0.00 173.10 177.82 1wfi n LEU 49 N 4.25 0.00 -4.71 0.66 4.77 -1.26 -4.32 117.00 116.39 1wfi n LEU 49 Ca 0.11 0.00 -0.65 0.00 -0.03 0.00 0.00 56.01 55.44 1wfi n LEU 49 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 1wfi n LEU 49 CO -0.00 0.00 1.07 0.29 -1.33 0.00 0.00 177.39 177.42 1wfi n LYS 50 N 0.00 0.12 0.00 3.23 5.02 -0.84 0.22 118.16 125.91 1wfi n LYS 50 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1wfi n LYS 50 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 3.61 2.76 3.94 0.72 0.00 -1.26 -4.97 105.19 110.00 1wfi n GLY 51 Ca 0.29 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1wfi n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfi s GLN 52 N 0.00 2.47 0.50 1.61 -1.52 0.59 -5.07 119.66 118.24 1wfi s GLN 52 Ca 0.00 -0.35 -0.20 0.00 -1.95 0.00 0.00 55.36 52.86 1wfi s GLN 52 Cb 0.00 -2.29 -0.08 0.00 -0.22 0.00 0.00 33.01 30.42 1wfi s GLN 52 CO 0.00 -0.95 1.04 -1.25 -0.25 0.00 0.00 175.29 173.88 1wfi s PRO 53 N -5.04 3.74 -0.47 2.91 0.04 -1.26 -4.36 135.00 130.55 1wfi s PRO 53 Ca 0.58 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.67 1wfi s PRO 53 Cb -0.11 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wfi s PRO 53 CO 0.43 -0.48 1.44 -1.25 0.04 0.00 0.00 177.00 177.18 1wfi s PRO 54 N -3.36 3.43 0.00 0.56 0.04 -1.26 -4.26 135.00 130.16 1wfi s PRO 54 Ca 0.67 0.76 0.20 0.00 0.04 0.00 0.00 61.00 62.67 1wfi s PRO 54 Cb -0.16 -4.08 1.03 0.00 0.04 0.00 0.00 34.50 31.33 1wfi s PRO 54 CO 0.22 -1.76 1.64 1.55 0.04 0.00 0.00 177.00 178.70 1wfi n VAL 55 N 7.02 0.37 -3.66 -0.36 3.14 0.17 -4.45 118.33 120.57 1wfi n VAL 55 Ca 0.15 0.09 -0.23 0.00 -2.96 0.00 0.00 64.34 61.39 1wfi n VAL 55 Cb 0.49 -0.76 -0.17 0.00 -1.06 0.00 0.00 33.84 32.33 1wfi n VAL 55 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wfi s VAL 56 N -2.56 -0.03 -0.36 1.55 1.01 -0.80 -4.79 120.40 114.42 1wfi s VAL 56 Ca 0.20 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1wfi s VAL 56 Cb 0.14 -0.40 0.19 0.00 0.00 0.00 0.00 36.38 36.31 1wfi s VAL 56 CO 0.31 -0.02 0.63 -0.62 0.00 0.00 0.00 175.10 175.39 1wfi s ASP 57 N 2.13 -1.54 -0.19 3.32 2.15 -1.20 -0.61 116.67 120.74 1wfi s ASP 57 Ca 0.03 -0.38 -0.29 0.00 0.43 0.00 0.00 52.55 52.35 1wfi s ASP 57 Cb -0.14 1.95 0.13 0.00 -0.30 0.00 0.00 42.92 44.56 1wfi s ASP 57 CO -0.06 -0.22 1.00 -0.83 -0.17 0.00 0.00 175.17 174.90 1wfi s GLY 58 N 2.25 -0.24 -0.04 2.66 0.00 -1.24 -3.79 107.32 106.92 1wfi s GLY 58 Ca 0.14 2.17 -0.30 0.00 0.00 0.00 0.00 44.72 46.74 1wfi s GLY 58 CO -0.15 1.21 1.74 1.85 0.00 0.00 0.00 173.10 177.75 1wfi s GLU 59 N -0.81 4.15 1.00 2.90 2.12 -1.26 -3.43 118.70 123.38 1wfi s GLU 59 Ca -0.01 2.28 -0.15 0.00 0.36 0.00 0.00 54.97 57.46 1wfi s GLU 59 Cb -0.01 -4.03 0.05 0.00 0.26 0.00 0.00 34.13 30.39 1wfi s GLU 59 CO -0.00 -0.89 0.26 1.28 -0.54 0.00 0.00 175.26 175.37 1wfi n LEU 60 N 7.30 -0.97 0.03 2.70 4.77 -0.61 -1.07 117.00 129.15 1wfi n LEU 60 Ca 0.18 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1wfi n LEU 60 Cb 0.42 -1.12 0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1wfi n LEU 60 CO 0.64 -3.52 0.53 0.22 -1.33 0.00 0.00 177.39 173.93 1wfi h TYR 61 N -1.70 0.57 -2.67 -1.77 3.20 -1.31 -3.42 116.97 109.87 1wfi h TYR 61 Ca -0.46 -0.19 -0.08 0.00 3.14 0.00 0.00 58.73 61.13 1wfi h TYR 61 Cb 1.31 -0.11 -0.19 0.00 1.54 0.00 0.00 36.73 39.28 1wfi h TYR 61 CO 0.32 0.88 -0.05 -0.80 -1.64 0.00 0.00 178.16 176.86 1wfi s ASN 62 N -6.89 -0.39 0.78 -2.11 -0.87 -1.26 -5.08 114.94 99.12 1wfi s ASN 62 Ca -0.06 0.28 -0.16 0.00 -1.57 0.00 0.00 52.86 51.35 1wfi s ASN 62 Cb 0.12 0.43 -0.06 0.00 -0.02 0.00 0.00 41.25 41.72 1wfi s ASN 62 CO 0.82 -0.58 0.17 -0.62 -2.57 0.00 0.00 177.10 174.32 1wfi n GLU 63 N 0.90 0.10 -3.72 -0.60 1.02 -1.26 -4.78 120.64 112.30 1wfi n GLU 63 Ca -0.20 0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 1wfi n GLU 63 Cb 0.58 -1.56 -0.13 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.02 -0.04 -0.65 2.62 -7.23 0.11 -3.52 120.40 109.66 1wfi s VAL 64 Ca 0.58 0.14 -0.27 0.00 -1.81 0.00 0.00 61.98 60.62 1wfi s VAL 64 Cb -0.32 -0.42 -0.12 0.00 0.56 0.00 0.00 36.38 36.09 1wfi s VAL 64 CO 0.65 0.06 2.50 1.17 -0.31 0.00 0.00 175.10 179.17 1wfi n LYS 65 N 4.25 0.71 0.22 4.82 3.00 0.53 -4.50 118.16 127.19 1wfi n LYS 65 Ca -0.25 -0.03 0.11 0.00 -0.00 0.00 0.00 58.31 58.14 1wfi n LYS 65 Cb 0.53 -2.87 0.37 0.00 0.00 0.00 0.00 35.03 33.07 1wfi n LYS 65 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1wfi h VAL 66 N 7.79 0.33 0.00 3.15 -1.51 -1.87 -1.68 116.25 122.45 1wfi h VAL 66 Ca -0.17 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 1wfi h VAL 66 Cb 1.27 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1wfi h VAL 66 CO 1.23 0.15 0.00 -0.62 -1.23 0.00 0.00 177.57 177.10 1wfi n GLU 67 N -3.22 0.08 0.00 5.19 1.02 -1.26 -2.28 120.64 120.17 1wfi n GLU 67 Ca 0.01 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1wfi n GLU 67 Cb 0.47 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1wfi n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wfi n GLU 68 N -1.78 1.71 -2.72 3.49 1.02 -0.97 -5.04 120.64 116.35 1wfi n GLU 68 Ca 0.03 -0.31 -0.33 0.00 -0.02 0.00 0.00 57.16 56.53 1wfi n GLU 68 Cb 0.22 -0.80 -0.06 0.00 -0.02 0.00 0.00 31.44 30.78 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfi s SER 69 N -0.33 6.72 -0.26 1.62 0.01 -0.67 -4.78 113.70 116.00 1wfi s SER 69 Ca 0.00 1.78 -0.19 0.00 1.31 0.00 0.00 55.95 58.85 1wfi s SER 69 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.75 1wfi s SER 69 CO 0.00 -0.52 0.67 -0.94 0.41 0.00 0.00 173.24 172.86 1wfi s SER 70 N -2.11 -0.81 0.23 2.44 1.04 -0.39 -4.97 113.70 109.13 1wfi s SER 70 Ca 0.64 1.41 0.11 0.00 0.48 0.00 0.00 55.95 58.59 1wfi s SER 70 Cb -0.12 1.35 -0.05 0.00 0.10 0.00 0.00 66.02 67.31 1wfi s SER 70 CO 0.16 -0.24 -0.16 -1.66 0.98 0.00 0.00 173.24 172.32 1wfi s TRP 71 N 1.02 2.43 0.35 5.02 1.48 -1.26 0.44 118.94 128.42 1wfi s TRP 71 Ca -0.05 -0.30 -0.09 0.00 -1.06 0.00 0.00 56.10 54.60 1wfi s TRP 71 Cb -0.05 -1.12 0.03 0.00 -1.16 0.00 0.00 33.47 31.17 1wfi s TRP 71 CO -0.10 0.60 0.61 1.47 -4.06 0.00 0.00 176.95 175.48 1wfi n LEU 72 N -0.30 0.00 -4.26 -4.66 -0.00 0.19 -4.96 117.00 103.02 1wfi n LEU 72 Ca -0.08 -2.50 -0.32 0.00 -0.00 0.00 0.00 56.01 53.10 1wfi n LEU 72 Cb 0.58 3.03 -0.16 0.00 -0.00 0.00 0.00 43.42 46.87 1wfi n LEU 72 CO 0.35 -0.71 -0.52 -0.63 -0.00 0.00 0.00 177.39 175.88 1wfi s ILE 73 N -2.44 2.36 -0.17 1.47 1.01 -1.26 0.23 121.20 122.40 1wfi s ILE 73 Ca 0.20 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1wfi s ILE 73 Cb -0.03 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1wfi s ILE 73 CO 0.15 0.55 0.09 -1.61 0.00 0.00 0.00 174.94 174.11 1wfi s GLU 74 N 0.43 3.85 -1.27 2.79 2.02 0.93 -4.23 118.70 123.22 1wfi s GLU 74 Ca -0.15 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1wfi s GLU 74 Cb -0.17 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1wfi s GLU 74 CO 0.06 0.41 0.00 -0.25 0.02 0.00 0.00 175.26 175.50 1wfi n ASP 75 N 3.13 -4.44 -4.15 -0.19 8.00 -1.26 -1.55 116.55 116.09 1wfi n ASP 75 Ca -0.17 0.30 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 1wfi n ASP 75 Cb 0.53 -3.64 -0.02 0.00 -0.02 0.00 0.00 41.12 37.97 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 -0.01 -0.44 0.54 0.44 0.00 -1.26 -4.72 105.19 99.74 1wfi n GLY 76 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.44 0.00 -4.82 1.61 2.85 -0.59 -2.45 118.16 110.31 1wfi n LYS 77 Ca 0.04 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.99 1wfi n LYS 77 Cb 0.51 -0.43 -0.13 0.00 -0.65 0.00 0.00 35.03 34.33 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 -1.39 2.88 -0.24 0.58 -7.23 -0.98 -0.45 120.40 113.56 1wfi s VAL 78 Ca 0.00 -0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 1wfi s VAL 78 Cb 0.00 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1wfi s VAL 78 CO 0.00 0.48 0.36 -0.69 -0.31 0.00 0.00 175.10 174.94 1wfi s VAL 79 N -0.81 5.20 0.05 1.32 1.01 0.31 -0.05 120.40 127.43 1wfi s VAL 79 Ca 0.13 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1wfi s VAL 79 Cb -0.11 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1wfi s VAL 79 CO 0.03 0.22 0.17 0.42 0.00 0.00 0.00 175.10 175.93 1wfi s THR 80 N 1.65 5.19 -0.02 3.92 -4.23 0.62 0.16 115.64 122.92 1wfi s THR 80 Ca 0.16 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1wfi s THR 80 Cb -0.15 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1wfi s THR 80 CO 0.08 0.18 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.58 1wfi s VAL 81 N -1.43 0.68 -0.41 2.29 1.01 0.23 0.56 120.40 123.33 1wfi s VAL 81 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1wfi s VAL 81 Cb -0.13 -0.61 0.11 0.00 0.00 0.00 0.00 36.38 35.76 1wfi s VAL 81 CO 0.24 0.22 0.17 -2.28 0.00 0.00 0.00 175.10 173.44 1wfi s HIS 82 N 0.21 3.62 0.12 5.22 2.46 0.17 -1.44 115.29 125.65 1wfi s HIS 82 Ca -0.03 -2.72 -0.14 0.00 0.47 0.00 0.00 55.06 52.64 1wfi s HIS 82 Cb -0.08 -3.08 -0.07 0.00 -0.13 0.00 0.00 32.58 29.22 1wfi s HIS 82 CO 0.00 -0.94 0.52 -0.51 -2.47 0.00 0.00 174.74 171.35 1wfi s LEU 83 N 0.87 4.37 -0.16 8.88 2.01 -0.20 -1.26 118.68 133.18 1wfi s LEU 83 Ca 0.11 1.05 -0.01 0.00 0.01 0.00 0.00 54.13 55.28 1wfi s LEU 83 Cb -0.21 -3.15 -0.01 0.00 0.01 0.00 0.00 46.19 42.82 1wfi s LEU 83 CO -0.05 0.14 -0.10 -0.70 1.01 0.00 0.00 176.35 176.65 1wfi s GLU 84 N -1.81 3.37 0.13 1.70 2.56 -1.26 -0.34 118.70 123.05 1wfi s GLU 84 Ca 0.35 -0.67 -0.30 0.00 0.00 0.00 0.00 54.97 54.36 1wfi s GLU 84 Cb -0.15 -2.77 -0.07 0.00 2.00 0.00 0.00 34.13 33.14 1wfi s GLU 84 CO 0.19 0.05 1.18 0.15 -0.56 0.00 0.00 175.26 176.27 1wfi s LYS 85 N 0.79 4.48 0.07 4.30 1.02 -1.11 0.20 119.74 129.50 1wfi s LYS 85 Ca -0.04 1.80 -0.37 0.00 0.02 0.00 0.00 55.97 57.39 1wfi s LYS 85 Cb -0.15 -3.29 -0.19 0.00 -0.52 0.00 0.00 37.83 33.68 1wfi s LYS 85 CO 0.01 -0.13 1.57 0.82 -0.92 0.00 0.00 175.35 176.69 1wfi h ILE 86 N 4.07 0.01 0.00 2.17 1.08 -1.89 -3.11 117.51 119.84 1wfi h ILE 86 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1wfi h ILE 86 Cb 1.21 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1wfi h ILE 86 CO 0.77 0.00 -1.01 -3.20 -0.69 0.00 0.00 178.15 174.03 1wfi n ASN 87 N -5.62 0.83 -3.68 1.72 2.85 -1.26 -4.94 115.26 105.17 1wfi n ASN 87 Ca -0.14 0.31 -0.24 0.00 -0.11 0.00 0.00 54.58 54.40 1wfi n ASN 87 Cb 0.50 0.46 0.01 0.00 1.24 0.00 0.00 39.78 41.99 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1wfi n LYS 88 N -2.65 -1.59 -2.21 1.20 2.85 -1.18 -4.89 118.16 109.69 1wfi n LYS 88 Ca 0.00 0.93 -0.02 0.00 -1.05 0.00 0.00 58.31 58.17 1wfi n LYS 88 Cb 0.55 -2.60 0.05 0.00 -0.65 0.00 0.00 35.03 32.37 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 -2.19 0.55 -3.64 -1.58 0.00 -1.22 -4.64 117.12 104.39 1wfi n MET 89 Ca -0.26 -0.68 -0.07 0.00 0.00 0.00 0.00 57.70 56.70 1wfi n MET 89 Cb 0.67 0.12 -0.07 0.00 0.00 0.00 0.00 33.22 33.94 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 0.06 0.44 0.27 3.17 2.56 -1.26 -5.08 118.70 118.87 1wfi s GLU 90 Ca 0.06 0.60 -0.23 0.00 0.00 0.00 0.00 54.97 55.39 1wfi s GLU 90 Cb 0.18 0.18 -0.09 0.00 2.00 0.00 0.00 34.13 36.40 1wfi s GLU 90 CO -0.05 -0.06 0.84 -0.46 -0.56 0.00 0.00 175.26 174.96 1wfi s TRP 91 N 0.60 3.68 -0.01 5.30 -0.11 -1.26 -4.71 118.94 122.44 1wfi s TRP 91 Ca -0.01 1.59 -0.17 0.00 1.22 0.00 0.00 56.10 58.74 1wfi s TRP 91 Cb -0.05 -2.77 -0.06 0.00 -1.50 0.00 0.00 33.47 29.09 1wfi s TRP 91 CO -0.10 0.28 0.47 -1.58 -4.62 0.00 0.00 176.95 171.40 1wfi s TRP 92 N -1.56 3.70 -0.79 5.86 0.52 -1.26 -4.95 118.94 120.46 1wfi s TRP 92 Ca 0.46 1.05 0.24 0.00 0.02 0.00 0.00 56.10 57.88 1wfi s TRP 92 Cb -0.18 -2.41 0.39 0.00 -1.15 0.00 0.00 33.47 30.12 1wfi s TRP 92 CO 0.23 0.52 1.33 0.09 0.02 0.00 0.00 176.95 179.14 1wfi n ASN 93 N 2.22 0.59 -3.26 2.95 4.13 -1.26 -4.82 115.26 115.81 1wfi n ASN 93 Ca -0.11 -0.07 0.03 0.00 1.68 0.00 0.00 54.58 56.11 1wfi n ASN 93 Cb 0.52 0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 39.00 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 -3.10 0.22 0.17 3.52 1.04 -1.26 -5.04 118.95 114.50 1wfi s ARG 94 Ca 0.08 0.48 -0.22 0.00 -1.04 0.00 0.00 55.73 55.03 1wfi s ARG 94 Cb 0.15 0.28 0.06 0.00 -2.04 0.00 0.00 34.95 33.41 1wfi s ARG 94 CO 0.72 -0.15 1.38 -0.11 -0.04 0.00 0.00 175.30 177.11 1wfi n LEU 95 N 5.14 -0.78 -4.40 -1.89 7.94 -1.26 -3.93 117.00 117.81 1wfi n LEU 95 Ca -0.08 1.58 -0.27 0.00 -1.11 0.00 0.00 56.01 56.13 1wfi n LEU 95 Cb 0.53 -0.28 -0.12 0.00 0.53 0.00 0.00 43.42 44.09 1wfi n LEU 95 CO -0.07 -1.35 -0.54 0.68 -1.11 0.00 0.00 177.39 175.00 1wfi s VAL 96 N -5.63 2.27 0.04 1.96 -7.23 -1.26 -1.29 120.40 109.26 1wfi s VAL 96 Ca -0.11 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1wfi s VAL 96 Cb 0.14 -2.05 -0.14 0.00 0.56 0.00 0.00 36.38 34.90 1wfi s VAL 96 CO 0.59 -0.04 1.31 0.71 -0.31 0.00 0.00 175.10 177.36 1wfi h THR 97 N 3.50 1.45 -2.92 5.32 1.35 -1.31 -3.43 112.91 116.88 1wfi h THR 97 Ca -0.48 -3.07 -0.47 0.00 -0.55 0.00 0.00 66.41 61.84 1wfi h THR 97 Cb 1.19 2.72 -0.40 0.00 -1.73 0.00 0.00 68.15 69.93 1wfi h THR 97 CO 0.44 0.83 -0.75 -0.55 -0.25 0.00 0.00 175.52 175.24 1wfi s SER 98 N -6.62 2.67 0.60 5.36 0.15 -1.26 -4.92 113.70 109.69 1wfi s SER 98 Ca 0.02 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 55.73 1wfi s SER 98 Cb 0.09 -0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1wfi s SER 98 CO 0.80 -0.38 1.02 -1.81 1.20 0.00 0.00 173.24 174.07 1wfi s ASP 99 N 2.14 6.27 0.00 5.45 1.01 -1.23 -3.82 116.67 126.49 1wfi s ASP 99 Ca 0.05 1.46 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1wfi s ASP 99 Cb -0.16 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1wfi s ASP 99 CO -0.19 -0.84 0.20 -0.81 0.21 0.00 0.00 175.17 173.74 1wfi n PRO 100 N -2.53 0.00 -0.26 8.23 -0.04 -1.25 -4.27 135.00 134.88 1wfi n PRO 100 Ca 0.06 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1wfi n PRO 100 Cb 0.54 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 33.01 1wfi n PRO 100 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wfi h GLU 101 N 0.00 -0.03 -6.21 0.54 5.08 -1.88 -3.41 114.58 108.67 1wfi h GLU 101 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1wfi h GLU 101 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1wfi h GLU 101 CO 0.00 -0.02 -0.45 0.42 -1.00 0.00 0.00 179.01 177.96 1wfi s ILE 102 N -4.67 3.87 -0.07 3.13 1.01 -1.26 -5.06 121.20 118.15 1wfi s ILE 102 Ca -0.08 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.17 1wfi s ILE 102 Cb 0.07 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1wfi s ILE 102 CO 0.41 -0.22 -0.16 -0.46 0.00 0.00 0.00 174.94 174.52 1wfi n ASN 103 N -1.36 1.20 -0.20 3.58 6.94 -1.26 -3.56 115.26 120.61 1wfi n ASN 103 Ca -0.03 0.19 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1wfi n ASN 103 Cb 0.59 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1wfi n ASN 103 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1wfi n THR 104 N -3.76 0.00 -3.59 5.53 5.66 -1.26 -4.40 114.28 112.47 1wfi n THR 104 Ca -0.14 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.52 1wfi n THR 104 Cb 0.43 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.23 1wfi n THR 104 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1wfi n LYS 105 N -0.41 -1.74 -0.86 1.09 3.00 -1.26 -4.81 118.16 113.17 1wfi n LYS 105 Ca 0.00 1.12 -0.35 0.00 -0.00 0.00 0.00 58.31 59.09 1wfi n LYS 105 Cb 0.00 -2.03 0.09 0.00 0.00 0.00 0.00 35.03 33.09 1wfi n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1wfi n LYS 106 N -1.14 -0.50 -0.01 1.64 4.01 -1.26 -4.86 118.16 116.05 1wfi n LYS 106 Ca -0.18 -0.13 -0.02 0.00 -0.51 0.00 0.00 58.31 57.47 1wfi n LYS 106 Cb 0.68 -1.40 -0.01 0.00 -0.51 0.00 0.00 35.03 33.78 1wfi n LYS 106 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1wfi h ILE 107 N -1.43 0.00 -4.10 -0.18 5.03 -2.00 -3.41 117.51 111.42 1wfi h ILE 107 Ca -0.45 0.00 -0.47 0.00 -0.12 0.00 0.00 64.86 63.82 1wfi h ILE 107 Cb 1.33 0.00 0.03 0.00 -3.03 0.00 0.00 36.82 35.15 1wfi h ILE 107 CO 0.29 0.00 0.38 0.21 -0.68 0.00 0.00 178.15 178.35 1wfi s ASN 108 N -2.92 6.33 -0.07 1.72 2.47 -1.26 -5.00 114.94 116.21 1wfi s ASN 108 Ca -0.02 1.85 -0.20 0.00 0.42 0.00 0.00 52.86 54.92 1wfi s ASN 108 Cb 0.01 -2.55 -0.15 0.00 -1.45 0.00 0.00 41.25 37.11 1wfi s ASN 108 CO 0.08 -0.79 0.74 1.55 -3.72 0.00 0.00 177.10 174.96 1wfi h PRO 109 N 1.35 -0.15 0.00 0.43 0.13 -1.97 -3.49 132.00 128.30 1wfi h PRO 109 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wfi h PRO 109 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wfi h PRO 109 CO 0.59 0.32 0.00 0.39 -0.23 0.00 0.00 178.00 179.07 1wfi n GLU 110 N -4.85 2.13 -4.20 0.86 1.02 -1.26 -4.98 120.64 109.36 1wfi n GLU 110 Ca -0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 1wfi n GLU 110 Cb 0.27 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.58 1wfi n GLU 110 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wfi s ASN 111 N 1.00 0.90 0.89 1.62 2.20 -1.26 -5.13 114.94 115.16 1wfi s ASN 111 Ca 0.00 -1.16 -0.14 0.00 -0.94 0.00 0.00 52.86 50.62 1wfi s ASN 111 Cb 0.00 0.17 0.14 0.00 -2.00 0.00 0.00 41.25 39.57 1wfi s ASN 111 CO 0.00 -0.61 1.24 -0.55 -2.94 0.00 0.00 177.10 174.25 1wfi s SER 112 N -3.11 3.73 0.27 3.54 0.15 -1.26 -5.10 113.70 111.92 1wfi s SER 112 Ca 0.22 0.54 -0.10 0.00 0.70 0.00 0.00 55.95 57.31 1wfi s SER 112 Cb 0.07 -0.82 -0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1wfi s SER 112 CO 0.02 -2.37 0.47 -0.54 1.20 0.00 0.00 173.24 172.01 1wfi s LYS 113 N -5.71 1.62 -0.24 5.44 1.02 -1.26 -5.14 119.74 115.46 1wfi s LYS 113 Ca 0.68 -1.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 1wfi s LYS 113 Cb -0.08 0.46 0.09 0.00 -0.52 0.00 0.00 37.83 37.78 1wfi s LYS 113 CO 0.51 -0.67 0.15 -0.51 -0.92 0.00 0.00 175.35 173.91 1wfi s LEU 114 N -3.07 0.32 -1.14 3.17 1.43 -1.26 -5.06 118.68 113.07 1wfi s LEU 114 Ca 0.25 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1wfi s LEU 114 Cb -0.00 -0.14 0.26 0.00 0.03 0.00 0.00 46.19 46.34 1wfi s LEU 114 CO 0.11 -0.39 1.22 -1.20 0.23 0.00 0.00 176.35 176.32 1wfi n SER 115 N 5.27 5.53 -3.66 2.29 7.64 -1.26 -4.89 113.62 124.55 1wfi n SER 115 Ca -0.06 -3.06 -0.29 0.00 1.01 0.00 0.00 58.87 56.48 1wfi n SER 115 Cb 0.45 -1.41 -0.12 0.00 -1.01 0.00 0.00 64.21 62.12 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 1.34 3.37 -0.20 6.43 1.01 -1.26 -5.08 116.67 122.28 1wfi s ASP 116 Ca 0.33 -2.79 -0.01 0.00 0.71 0.00 0.00 52.55 50.79 1wfi s ASP 116 Cb -0.07 -0.94 0.01 0.00 1.01 0.00 0.00 42.92 42.92 1wfi s ASP 116 CO -0.05 -0.23 -0.13 -0.76 0.21 0.00 0.00 175.17 174.20 1wfi s LEU 117 N 0.17 2.45 0.00 1.23 1.43 -1.26 -5.07 118.68 117.63 1wfi s LEU 117 Ca 0.21 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1wfi s LEU 117 Cb -0.17 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1wfi s LEU 117 CO -0.05 -0.01 0.00 -0.67 0.23 0.00 0.00 176.35 175.86 1wfi n ASP 118 N 4.68 0.00 -3.15 2.29 2.03 -1.26 -5.15 116.55 115.99 1wfi n ASP 118 Ca -0.20 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.17 1wfi n ASP 118 Cb 0.50 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1wfi n ASP 118 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wfi s SER 119 N 0.00 -0.43 -0.23 1.67 0.15 -1.26 -5.14 113.70 108.46 1wfi s SER 119 Ca 0.00 0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1wfi s SER 119 Cb 0.00 1.28 0.12 0.00 -1.71 0.00 0.00 66.02 65.71 1wfi s SER 119 CO 0.00 -0.08 0.34 -1.83 1.20 0.00 0.00 173.24 172.87 1wfi s GLU 120 N 2.96 0.30 -0.02 5.44 4.04 -1.26 -5.15 118.70 125.02 1wfi s GLU 120 Ca 0.24 0.47 0.05 0.00 0.04 0.00 0.00 54.97 55.77 1wfi s GLU 120 Cb -0.03 -0.63 -0.03 0.00 0.02 0.00 0.00 34.13 33.46 1wfi s GLU 120 CO -0.21 -0.63 -0.17 -0.08 -1.84 0.00 0.00 175.26 172.32 1wfi s THR 121 N 2.49 2.80 -0.10 1.83 -1.32 -1.26 -5.12 115.64 114.96 1wfi s THR 121 Ca 0.11 -0.94 -0.11 0.00 -1.21 0.00 0.00 61.69 59.54 1wfi s THR 121 Cb -0.15 -2.11 0.03 0.00 -1.51 0.00 0.00 72.50 68.76 1wfi s THR 121 CO -0.15 0.51 0.31 -0.13 -2.21 0.00 0.00 174.62 172.95 1wfi s ARG 122 N -0.94 0.42 0.07 7.08 1.81 -1.26 -5.17 118.95 120.95 1wfi s ARG 122 Ca 0.12 0.31 -0.01 0.00 -1.72 0.00 0.00 55.73 54.44 1wfi s ARG 122 Cb -0.10 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.55 1wfi s ARG 122 CO 0.02 -0.07 -0.02 -1.54 -0.68 0.00 0.00 175.30 173.01 1wfi s SER 123 N -0.11 0.56 -0.18 0.23 1.04 -1.26 -5.17 113.70 108.81 1wfi s SER 123 Ca -0.03 -1.03 -0.35 0.00 0.48 0.00 0.00 55.95 55.03 1wfi s SER 123 Cb -0.03 0.20 0.14 0.00 0.10 0.00 0.00 66.02 66.43 1wfi s SER 123 CO 0.01 -0.60 1.25 -0.32 0.98 0.00 0.00 173.24 174.57 1wfi s MET 124 N -3.92 0.27 -0.30 4.02 1.75 -1.26 -5.16 119.30 114.69 1wfi s MET 124 Ca 0.10 -0.11 -0.15 0.00 -1.25 0.00 0.00 55.69 54.28 1wfi s MET 124 Cb 0.08 0.12 0.16 0.00 2.84 0.00 0.00 34.83 38.03 1wfi s MET 124 CO -0.08 -0.12 1.00 0.54 -0.65 0.00 0.00 175.02 175.71 1wfi s VAL 125 N -2.35 -0.42 0.07 10.11 0.11 -1.26 -5.18 120.40 121.49 1wfi s VAL 125 Ca 0.11 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.05 1wfi s VAL 125 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1wfi s VAL 125 CO -0.04 0.00 0.24 -0.55 -3.33 0.00 0.00 175.10 171.42 1wfi s SER 126 N 2.28 -0.00 0.03 3.54 0.15 -1.26 -5.17 113.70 113.26 1wfi s SER 126 Ca -0.03 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1wfi s SER 126 Cb -0.05 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1wfi s SER 126 CO -0.17 -0.66 -0.15 -0.83 1.20 0.00 0.00 173.24 172.63 1wfi s GLY 127 N -2.41 0.80 0.16 9.45 0.00 -1.26 -5.15 107.32 108.91 1wfi s GLY 127 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1wfi s GLY 127 CO -0.07 -0.77 0.18 -1.55 0.00 0.00 0.00 173.10 170.89 1wfi n PRO 128 N 2.02 -0.75 -3.46 2.90 -0.04 -1.26 -5.11 135.00 129.30 1wfi n PRO 128 Ca -0.17 -0.28 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 1wfi n PRO 128 Cb 0.55 -0.22 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 1wfi n PRO 128 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfi s SER 129 N -1.83 -0.50 0.21 3.54 0.15 -1.26 -5.19 113.70 108.83 1wfi s SER 129 Ca 0.11 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 1wfi s SER 129 Cb -0.01 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1wfi s SER 129 CO 0.08 -0.87 0.24 -0.44 1.20 0.00 0.00 173.24 173.45 1wfi s SER 130 N -2.67 0.07 0.00 5.45 0.01 -1.26 -5.38 113.70 109.92 1wfi s SER 130 Ca 0.03 -1.24 0.08 0.00 1.31 0.00 0.00 55.95 56.13 1wfi s SER 130 Cb -0.01 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.73 1wfi s SER 130 CO -0.11 -0.93 0.75 0.61 0.41 0.00 0.00 173.24 173.96