#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 -0.44 -0.30 1.61 0.01 -1.26 -5.16 113.70 108.16 1wfi s SER 2 Ca 0.00 0.80 -0.16 0.00 1.31 0.00 0.00 55.95 57.90 1wfi s SER 2 Cb 0.00 0.93 0.17 0.00 0.21 0.00 0.00 66.02 67.33 1wfi s SER 2 CO 0.00 -0.13 1.08 -0.55 0.41 0.00 0.00 173.24 174.05 1wfi s SER 3 N 0.56 -0.37 0.02 2.44 0.15 -1.26 -5.18 113.70 110.07 1wfi s SER 3 Ca -0.00 0.55 -0.05 0.00 0.70 0.00 0.00 55.95 57.14 1wfi s SER 3 Cb -0.05 1.28 0.02 0.00 -1.71 0.00 0.00 66.02 65.56 1wfi s SER 3 CO -0.10 -0.08 0.26 0.61 1.20 0.00 0.00 173.24 175.13 1wfi n GLY 4 N 4.04 0.89 3.34 9.45 0.00 -1.26 -5.17 105.19 116.48 1wfi n GLY 4 Ca -0.14 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.59 -0.50 0.32 1.61 0.15 -1.26 -5.17 113.70 107.26 1wfi s SER 5 Ca 0.06 0.92 0.07 0.00 0.70 0.00 0.00 55.95 57.70 1wfi s SER 5 Cb -0.00 0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 65.18 1wfi s SER 5 CO 0.01 -0.17 0.30 -0.55 1.20 0.00 0.00 173.24 174.03 1wfi s SER 6 N 0.58 5.45 0.07 5.45 0.15 -1.26 -4.95 113.70 119.18 1wfi s SER 6 Ca -0.03 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wfi s SER 6 Cb -0.05 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1wfi s SER 6 CO -0.03 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1wfi n GLY 7 N -1.37 1.33 0.00 9.45 0.00 -1.26 -5.00 105.19 108.35 1wfi n GLY 7 Ca -0.03 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.32 0.76 0.00 1.61 -0.04 -1.22 -4.94 135.00 130.85 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 -0.48 0.00 -4.93 3.54 4.13 -1.26 -4.73 115.26 111.52 1wfi n ASN 9 Ca 0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1wfi n ASN 9 Cb 0.00 0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1wfi n ASN 9 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1wfi s TYR 10 N -1.11 3.49 0.26 3.10 -0.85 -1.26 -4.97 117.35 116.00 1wfi s TYR 10 Ca 0.00 0.39 -0.05 0.00 -0.52 0.00 0.00 57.07 56.89 1wfi s TYR 10 Cb 0.00 -1.91 -0.05 0.00 0.38 0.00 0.00 41.96 40.37 1wfi s TYR 10 CO 0.00 0.22 0.52 -0.98 -1.52 0.00 0.00 175.55 173.78 1wfi s ARG 11 N -3.87 3.64 -0.25 -3.49 1.70 -1.04 -4.99 118.95 110.64 1wfi s ARG 11 Ca 0.40 -0.01 -0.17 0.00 -0.47 0.00 0.00 55.73 55.48 1wfi s ARG 11 Cb -0.10 -2.69 0.07 0.00 -0.57 0.00 0.00 34.95 31.66 1wfi s ARG 11 CO 0.33 0.27 0.64 1.67 -1.08 0.00 0.00 175.30 177.13 1wfi s TRP 12 N -1.99 -0.90 0.00 5.89 1.48 -1.26 -1.47 118.94 120.69 1wfi s TRP 12 Ca 0.43 1.91 0.00 0.00 -1.06 0.00 0.00 56.10 57.38 1wfi s TRP 12 Cb -0.11 0.46 0.00 0.00 -1.16 0.00 0.00 33.47 32.66 1wfi s TRP 12 CO 0.28 -0.45 0.00 0.25 -4.06 0.00 0.00 176.95 172.98 1wfi n THR 13 N 3.79 0.00 -1.73 0.66 -2.24 0.40 -4.96 114.28 110.20 1wfi n THR 13 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 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 -2.10 -2.82 -0.78 10.64 -1.26 -0.08 117.38 120.97 1wfi n GLN 14 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1wfi n GLN 14 Cb 0.00 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.44 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 0.84 0.04 -2.33 -0.39 5.66 -1.07 -4.94 114.28 112.09 1wfi n THR 15 Ca 0.00 -2.30 -0.06 0.00 -3.05 0.00 0.00 64.05 58.64 1wfi n THR 15 Cb 0.00 0.96 -0.01 0.00 -1.55 0.00 0.00 70.33 69.73 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 0.13 -0.55 0.00 1.09 7.99 -1.26 -4.46 117.00 119.94 1wfi n LEU 16 Ca 0.09 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.42 1wfi n LEU 16 Cb 0.73 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 42.51 1wfi n LEU 16 CO 0.07 -0.09 0.00 0.00 -1.51 0.00 0.00 177.39 175.86 1wfi n ALA 17 N -2.14 0.55 -2.57 -1.18 0.00 -1.26 -4.65 120.51 109.26 1wfi n ALA 17 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 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 3.57 -0.14 0.00 4.04 -1.26 -2.11 118.70 122.80 1wfi s GLU 18 Ca 0.00 -0.12 -0.01 0.00 0.04 0.00 0.00 54.97 54.87 1wfi s GLU 18 Cb 0.00 -2.65 -0.02 0.00 0.02 0.00 0.00 34.13 31.48 1wfi s GLU 18 CO 0.00 0.18 -0.10 -0.51 -1.84 0.00 0.00 175.26 172.99 1wfi s LEU 19 N -3.86 2.90 -0.14 1.83 1.43 -1.18 -2.60 118.68 117.07 1wfi s LEU 19 Ca 0.42 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1wfi s LEU 19 Cb -0.10 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1wfi s LEU 19 CO 0.33 0.16 -0.06 -1.81 0.23 0.00 0.00 176.35 175.20 1wfi s ASP 20 N 0.36 4.60 0.02 2.29 1.01 0.88 0.20 116.67 126.04 1wfi s ASP 20 Ca -0.08 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.05 1wfi s ASP 20 Cb -0.15 -1.65 -0.01 0.00 1.01 0.00 0.00 42.92 42.11 1wfi s ASP 20 CO 0.05 0.20 -0.10 -0.22 0.21 0.00 0.00 175.17 175.31 1wfi s LEU 21 N 0.18 2.11 -0.03 1.23 1.98 0.17 0.15 118.68 124.48 1wfi s LEU 21 Ca -0.03 -0.32 -0.01 0.00 -2.89 0.00 0.00 54.13 50.88 1wfi s LEU 21 Cb -0.14 -0.42 0.03 0.00 0.66 0.00 0.00 46.19 46.32 1wfi s LEU 21 CO 0.03 0.02 0.06 0.00 -1.89 0.00 0.00 176.35 174.57 1wfi s ALA 22 N -0.63 -0.03 -0.25 5.97 0.00 -0.54 0.18 121.76 126.45 1wfi s ALA 22 Ca -0.00 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 1wfi s ALA 22 Cb -0.06 -0.25 0.08 0.00 0.00 0.00 0.00 23.12 22.88 1wfi s ALA 22 CO 0.00 -0.10 0.05 0.08 0.00 0.00 0.00 175.76 175.79 1wfi s VAL 23 N 0.88 0.86 0.59 0.00 1.01 0.53 -2.51 120.40 121.75 1wfi s VAL 23 Ca -0.07 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 1wfi s VAL 23 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1wfi s VAL 23 CO -0.03 -0.38 1.05 -2.16 0.00 0.00 0.00 175.10 173.57 1wfi s PRO 24 N 1.67 3.39 0.10 2.72 0.04 -1.26 0.67 135.00 142.33 1wfi s PRO 24 Ca 0.03 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1wfi s PRO 24 Cb -0.17 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1wfi s PRO 24 CO -0.15 -0.75 -0.03 -0.06 0.04 0.00 0.00 177.00 176.05 1wfi s PHE 25 N -2.49 0.81 -0.59 0.56 0.08 -1.08 -4.88 117.98 110.39 1wfi s PHE 25 Ca 0.63 -1.02 -0.03 0.00 0.12 0.00 0.00 56.93 56.63 1wfi s PHE 25 Cb -0.15 -0.49 0.15 0.00 -0.57 0.00 0.00 43.02 41.96 1wfi s PHE 25 CO 0.37 -0.28 0.40 1.03 -0.10 0.00 0.00 175.22 176.64 1wfi s ARG 26 N -3.90 2.46 0.15 0.44 0.52 -1.26 -4.81 118.95 112.56 1wfi s ARG 26 Ca 0.13 -2.42 -0.00 0.00 -0.52 0.00 0.00 55.73 52.92 1wfi s ARG 26 Cb 0.07 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1wfi s ARG 26 CO -0.05 -1.16 0.04 0.14 0.02 0.00 0.00 175.30 174.30 1wfi s VAL 27 N 0.12 0.31 -2.02 3.52 -7.23 -1.26 -5.04 120.40 108.80 1wfi s VAL 27 Ca 0.16 -1.94 0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1wfi s VAL 27 Cb -0.21 -2.10 0.26 0.00 0.56 0.00 0.00 36.38 34.89 1wfi s VAL 27 CO -0.03 -0.44 1.19 -1.20 -0.31 0.00 0.00 175.10 174.30 1wfi n SER 28 N -0.16 2.84 -4.49 4.85 7.64 -1.26 -4.97 113.62 118.06 1wfi n SER 28 Ca -0.05 -1.84 -0.24 0.00 1.01 0.00 0.00 58.87 57.75 1wfi n SER 28 Cb 0.64 -0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.34 2.22 -0.53 1.43 -0.71 -1.26 -5.10 117.98 112.68 1wfi s PHE 29 Ca 0.27 -0.56 -0.22 0.00 -1.04 0.00 0.00 56.93 55.37 1wfi s PHE 29 Cb 0.17 -1.24 0.05 0.00 -1.21 0.00 0.00 43.02 40.78 1wfi s PHE 29 CO 0.24 0.48 0.82 1.03 -1.34 0.00 0.00 175.22 176.45 1wfi s ARG 30 N -3.64 3.25 -0.14 1.99 0.52 -1.26 -4.77 118.95 114.89 1wfi s ARG 30 Ca 0.31 -0.51 -0.39 0.00 -0.52 0.00 0.00 55.73 54.63 1wfi s ARG 30 Cb 0.02 -4.07 -0.16 0.00 0.52 0.00 0.00 34.95 31.26 1wfi s ARG 30 CO 0.15 -1.39 1.61 1.28 0.02 0.00 0.00 175.30 176.97 1wfi n LEU 31 N 6.97 2.17 -4.96 2.53 7.99 -1.20 -4.94 117.00 125.57 1wfi n LEU 31 Ca -0.01 1.09 -0.21 0.00 -0.01 0.00 0.00 56.01 56.86 1wfi n LEU 31 Cb 0.47 -1.17 -0.02 0.00 -0.11 0.00 0.00 43.42 42.59 1wfi n LEU 31 CO 0.60 -0.63 -0.04 -0.54 -1.51 0.00 0.00 177.39 175.27 1wfi s LYS 32 N 2.46 3.34 -0.20 3.23 3.01 -1.26 -4.83 119.74 125.48 1wfi s LYS 32 Ca 0.93 -0.83 -0.05 0.00 -1.01 0.00 0.00 55.97 55.01 1wfi s LYS 32 Cb -1.01 -2.84 -0.19 0.00 -1.01 0.00 0.00 37.83 32.78 1wfi s LYS 32 CO 0.58 0.38 2.85 0.41 0.51 0.00 0.00 175.35 180.08 1wfi n GLY 33 N -1.41 2.72 1.06 -3.33 0.00 -1.26 -2.84 105.19 100.13 1wfi n GLY 33 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 2.82 0.00 -0.07 1.61 2.85 -1.26 -4.83 118.16 119.28 1wfi n LYS 34 Ca 0.38 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.69 1wfi n LYS 34 Cb 0.62 -0.13 0.24 0.00 -0.65 0.00 0.00 35.03 35.11 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 -2.03 0.93 -4.99 -5.58 9.92 -1.13 -4.83 116.55 108.84 1wfi n ASP 35 Ca 0.00 -1.82 -0.19 0.00 -0.53 0.00 0.00 54.79 52.25 1wfi n ASP 35 Cb 0.00 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.81 3.78 -0.27 2.53 1.01 -1.23 0.19 120.40 124.60 1wfi s VAL 36 Ca 0.20 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1wfi s VAL 36 Cb 0.10 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.29 1wfi s VAL 36 CO 0.15 -0.15 0.27 -0.69 0.00 0.00 0.00 175.10 174.69 1wfi s VAL 37 N -2.31 -0.38 -0.33 2.92 1.01 0.47 -4.19 120.40 117.61 1wfi s VAL 37 Ca 0.48 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1wfi s VAL 37 Cb -0.10 -0.93 0.10 0.00 0.00 0.00 0.00 36.38 35.46 1wfi s VAL 37 CO 0.33 -0.43 0.07 -0.69 0.00 0.00 0.00 175.10 174.38 1wfi s VAL 38 N 2.35 1.65 -0.78 2.92 1.01 -1.24 -0.31 120.40 125.99 1wfi s VAL 38 Ca 0.09 -1.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.00 1wfi s VAL 38 Cb -0.14 -2.22 0.18 0.00 0.00 0.00 0.00 36.38 34.19 1wfi s VAL 38 CO -0.29 -0.63 0.79 -0.62 0.00 0.00 0.00 175.10 174.36 1wfi s ASP 39 N 1.23 6.60 -0.57 3.32 2.15 0.47 -4.95 116.67 124.91 1wfi s ASP 39 Ca 0.10 -2.33 -0.19 0.00 0.43 0.00 0.00 52.55 50.57 1wfi s ASP 39 Cb -0.18 -2.25 0.09 0.00 -0.30 0.00 0.00 42.92 40.27 1wfi s ASP 39 CO -0.16 -0.76 0.69 -0.63 -0.17 0.00 0.00 175.17 174.15 1wfi s ILE 40 N 1.07 4.81 0.55 4.11 1.01 -1.26 -1.57 121.20 129.92 1wfi s ILE 40 Ca 0.18 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 60.08 1wfi s ILE 40 Cb -0.13 -4.45 0.07 0.00 0.01 0.00 0.00 42.46 37.96 1wfi s ILE 40 CO -0.06 -1.06 0.70 -1.10 0.00 0.00 0.00 174.94 173.43 1wfi s GLN 41 N 2.73 2.35 0.08 2.79 -1.52 0.90 -4.82 119.66 122.18 1wfi s GLN 41 Ca 0.13 -1.66 -0.29 0.00 -1.95 0.00 0.00 55.36 51.59 1wfi s GLN 41 Cb -0.23 -2.57 -0.15 0.00 -0.22 0.00 0.00 33.01 29.84 1wfi s GLN 41 CO 0.08 -0.76 1.66 -0.09 -0.25 0.00 0.00 175.29 175.93 1wfi h ARG 42 N 0.33 -0.54 -1.71 2.91 9.65 -1.97 -3.33 114.38 119.72 1wfi h ARG 42 Ca -0.32 0.04 -0.50 0.00 -1.10 0.00 0.00 59.98 58.10 1wfi h ARG 42 Cb 1.29 0.12 -0.41 0.00 -1.39 0.00 0.00 29.97 29.58 1wfi h ARG 42 CO 0.44 -0.36 -0.97 -2.13 2.80 0.00 0.00 179.97 179.75 1wfi n ARG 43 N -5.35 2.07 -3.65 0.20 0.63 -1.26 0.12 116.66 109.41 1wfi n ARG 43 Ca -0.10 -3.94 0.01 0.00 -0.92 0.00 0.00 57.85 52.90 1wfi n ARG 43 Cb 0.26 -1.83 -0.06 0.00 0.45 0.00 0.00 32.46 31.28 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 -3.09 -0.07 0.35 -0.14 2.46 -1.25 -3.89 115.29 109.66 1wfi s HIS 44 Ca 0.40 0.15 0.09 0.00 0.47 0.00 0.00 55.06 56.17 1wfi s HIS 44 Cb 0.37 0.15 -0.06 0.00 -0.13 0.00 0.00 32.58 32.92 1wfi s HIS 44 CO -0.09 -0.04 0.01 -1.17 -2.47 0.00 0.00 174.74 170.99 1wfi s LEU 45 N 0.80 2.96 -0.30 8.88 2.96 -1.09 -0.07 118.68 132.83 1wfi s LEU 45 Ca -0.04 -1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 52.78 1wfi s LEU 45 Cb -0.03 -1.31 0.19 0.00 0.50 0.00 0.00 46.19 45.54 1wfi s LEU 45 CO -0.11 -0.25 0.89 -0.60 -1.32 0.00 0.00 176.35 174.96 1wfi s ARG 46 N -3.71 0.29 0.08 1.98 3.52 -0.61 -3.48 118.95 117.03 1wfi s ARG 46 Ca 0.35 0.35 0.09 0.00 -0.13 0.00 0.00 55.73 56.39 1wfi s ARG 46 Cb 0.01 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.54 1wfi s ARG 46 CO 0.19 -0.49 -0.21 0.08 -0.81 0.00 0.00 175.30 174.06 1wfi s VAL 47 N 2.92 2.61 0.00 7.11 1.01 -0.70 0.18 120.40 133.52 1wfi s VAL 47 Ca 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1wfi s VAL 47 Cb -0.07 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1wfi s VAL 47 CO -0.21 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1wfi n GLY 48 N 1.21 2.19 3.74 4.51 0.00 0.57 -0.74 105.19 116.68 1wfi n GLY 48 Ca -0.16 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1wfi n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfi s LEU 49 N 0.00 4.40 0.01 0.99 2.01 -1.26 0.18 118.68 125.01 1wfi s LEU 49 Ca 0.00 1.27 -0.39 0.00 0.01 0.00 0.00 54.13 55.01 1wfi s LEU 49 Cb 0.00 -3.07 -0.20 0.00 0.01 0.00 0.00 46.19 42.93 1wfi s LEU 49 CO 0.00 0.01 1.04 1.17 1.01 0.00 0.00 176.35 179.58 1wfi n LYS 50 N 3.07 0.02 0.00 1.70 4.81 0.50 0.13 118.16 128.38 1wfi n LYS 50 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1wfi n LYS 50 Cb 0.51 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1wfi n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfi n GLY 51 N 1.54 1.52 3.76 3.14 0.00 -1.26 -4.95 105.19 108.95 1wfi n GLY 51 Ca 0.20 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 1.30 0.26 1.61 -1.52 0.34 -5.00 119.66 116.64 1wfi s GLN 52 Ca 0.00 0.52 -0.30 0.00 -1.95 0.00 0.00 55.36 53.64 1wfi s GLN 52 Cb 0.00 -1.84 -0.09 0.00 -0.22 0.00 0.00 33.01 30.86 1wfi s GLN 52 CO 0.00 -2.14 1.09 -1.25 -0.25 0.00 0.00 175.29 172.74 1wfi s PRO 53 N -5.13 4.65 -0.52 2.91 0.04 -1.26 -4.49 135.00 131.21 1wfi s PRO 53 Ca 0.63 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 1wfi s PRO 53 Cb -0.16 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wfi s PRO 53 CO 0.55 0.22 1.47 -1.25 0.04 0.00 0.00 177.00 178.03 1wfi s PRO 54 N -1.26 3.31 0.49 0.56 0.04 -1.26 -4.42 135.00 132.47 1wfi s PRO 54 Ca 0.45 0.63 0.22 0.00 0.04 0.00 0.00 61.00 62.33 1wfi s PRO 54 Cb -0.31 -4.13 1.27 0.00 0.04 0.00 0.00 34.50 31.37 1wfi s PRO 54 CO 0.39 -1.92 1.97 0.28 0.04 0.00 0.00 177.00 177.76 1wfi h VAL 55 N 6.46 0.76 -4.04 -0.36 2.07 -1.31 -3.39 116.25 116.44 1wfi h VAL 55 Ca -0.27 -0.05 -0.69 0.00 0.82 0.00 0.00 66.70 66.50 1wfi h VAL 55 Cb 1.10 0.60 -0.23 0.00 -1.52 0.00 0.00 31.29 31.24 1wfi h VAL 55 CO 1.15 0.03 -0.77 -0.69 0.02 0.00 0.00 177.57 177.31 1wfi s VAL 56 N -5.16 3.04 0.00 2.57 1.01 -0.99 -4.97 120.40 115.91 1wfi s VAL 56 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wfi s VAL 56 Cb 0.20 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1wfi s VAL 56 CO 0.74 0.59 0.00 -0.67 0.00 0.00 0.00 175.10 175.76 1wfi n ASP 57 N 2.33 0.00 -3.86 3.32 -0.08 -1.25 -1.73 116.55 115.27 1wfi n ASP 57 Ca -0.17 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.01 1wfi n ASP 57 Cb 0.52 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.92 1wfi n ASP 57 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1wfi s GLY 58 N 0.00 0.23 -0.76 0.27 0.00 -1.23 -4.06 107.32 101.77 1wfi s GLY 58 Ca 0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 44.72 43.86 1wfi s GLY 58 CO 0.00 -0.63 1.18 1.85 0.00 0.00 0.00 173.10 175.50 1wfi s GLU 59 N -3.92 3.24 0.99 2.90 2.12 -1.26 -2.66 118.70 120.11 1wfi s GLU 59 Ca 0.13 -0.66 -0.16 0.00 0.36 0.00 0.00 54.97 54.63 1wfi s GLU 59 Cb 0.02 -4.39 -0.13 0.00 0.26 0.00 0.00 34.13 29.90 1wfi s GLU 59 CO -0.03 -2.01 -0.66 1.28 -0.54 0.00 0.00 175.26 173.30 1wfi n LEU 60 N 8.54 -5.34 -0.27 2.70 4.77 -1.25 -2.13 117.00 124.01 1wfi n LEU 60 Ca 0.06 0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 1wfi n LEU 60 Cb 0.48 -0.81 0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1wfi n LEU 60 CO 0.67 -5.76 1.06 0.22 -1.33 0.00 0.00 177.39 172.24 1wfi h TYR 61 N -1.07 1.09 -3.85 -1.77 5.03 -1.87 -3.41 116.97 111.12 1wfi h TYR 61 Ca -0.44 -0.07 -0.18 0.00 2.58 0.00 0.00 58.73 60.63 1wfi h TYR 61 Cb 1.30 -0.33 -0.07 0.00 1.55 0.00 0.00 36.73 39.17 1wfi h TYR 61 CO 0.23 0.82 -0.12 1.21 -1.32 0.00 0.00 178.16 178.98 1wfi s ASN 62 N -6.21 0.49 0.57 -2.11 3.84 -1.26 -4.99 114.94 105.27 1wfi s ASN 62 Ca -0.13 -1.28 -0.21 0.00 0.21 0.00 0.00 52.86 51.45 1wfi s ASN 62 Cb 0.15 0.66 -0.04 0.00 -0.55 0.00 0.00 41.25 41.47 1wfi s ASN 62 CO 0.82 -1.30 1.35 -1.61 -2.79 0.00 0.00 177.10 173.57 1wfi s GLU 63 N -3.25 3.02 -0.04 0.43 2.02 -1.26 -4.64 118.70 114.98 1wfi s GLU 63 Ca 0.26 2.21 0.00 0.00 0.02 0.00 0.00 54.97 57.46 1wfi s GLU 63 Cb -0.01 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 32.07 1wfi s GLU 63 CO 0.16 -1.27 -0.00 0.14 0.02 0.00 0.00 175.26 174.30 1wfi s VAL 64 N -1.32 0.23 -0.56 2.63 -7.23 0.32 -3.20 120.40 111.28 1wfi s VAL 64 Ca 0.74 0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 60.70 1wfi s VAL 64 Cb -0.40 -0.34 -0.12 0.00 0.56 0.00 0.00 36.38 36.08 1wfi s VAL 64 CO 0.46 0.17 2.41 1.17 -0.31 0.00 0.00 175.10 179.01 1wfi n LYS 65 N 4.36 0.85 0.08 4.82 4.81 0.51 -4.40 118.16 129.19 1wfi n LYS 65 Ca -0.22 0.11 -0.15 0.00 -0.87 0.00 0.00 58.31 57.19 1wfi n LYS 65 Cb 0.50 -2.68 -0.07 0.00 0.02 0.00 0.00 35.03 32.80 1wfi n LYS 65 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1wfi h VAL 66 N 7.57 1.41 -0.22 3.15 -1.51 -1.84 -1.12 116.25 123.69 1wfi h VAL 66 Ca -0.21 -2.58 0.07 0.00 -1.23 0.00 0.00 66.70 62.74 1wfi h VAL 66 Cb 1.29 2.56 -0.01 0.00 -2.13 0.00 0.00 31.29 33.00 1wfi h VAL 66 CO 1.16 0.77 0.20 -0.33 -1.23 0.00 0.00 177.57 178.14 1wfi h GLU 67 N 0.20 0.00 0.00 5.19 4.39 -1.92 0.72 114.58 123.16 1wfi h GLU 67 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1wfi h GLU 67 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 1wfi h GLU 67 CO 0.18 0.00 -1.80 0.39 -1.16 0.00 0.00 179.01 176.61 1wfi n GLU 68 N -4.10 0.54 -1.92 2.33 1.02 -1.17 -4.95 120.64 112.39 1wfi n GLU 68 Ca 0.03 -0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 56.60 1wfi n GLU 68 Cb 0.34 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 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 -4.27 6.52 -0.02 1.62 0.01 0.24 -4.88 113.70 112.93 1wfi s SER 69 Ca -0.05 2.87 -0.07 0.00 1.31 0.00 0.00 55.95 60.01 1wfi s SER 69 Cb 0.14 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1wfi s SER 69 CO 0.90 -0.75 0.15 -0.94 0.41 0.00 0.00 173.24 173.01 1wfi s SER 70 N -0.06 -0.03 0.10 2.44 1.04 0.35 -4.95 113.70 112.59 1wfi s SER 70 Ca 0.54 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.95 1wfi s SER 70 Cb -0.44 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1wfi s SER 70 CO 0.55 -0.29 -0.08 -1.66 0.98 0.00 0.00 173.24 172.74 1wfi s TRP 71 N -0.97 0.99 0.33 5.02 1.48 -1.26 0.22 118.94 124.75 1wfi s TRP 71 Ca -0.11 -0.77 -0.12 0.00 -1.06 0.00 0.00 56.10 54.04 1wfi s TRP 71 Cb -0.06 -0.55 0.03 0.00 -1.16 0.00 0.00 33.47 31.73 1wfi s TRP 71 CO 0.01 -0.06 0.64 -0.48 -4.06 0.00 0.00 176.95 173.01 1wfi s LEU 72 N -2.76 0.29 -0.21 -4.66 -0.00 0.67 -4.96 118.68 107.05 1wfi s LEU 72 Ca 0.09 -1.12 -0.04 0.00 -0.00 0.00 0.00 54.13 53.06 1wfi s LEU 72 Cb 0.01 2.28 -0.01 0.00 -0.00 0.00 0.00 46.19 48.46 1wfi s LEU 72 CO -0.02 -1.44 -0.04 -0.63 -0.00 0.00 0.00 176.35 174.22 1wfi s ILE 73 N -3.05 3.51 0.05 1.48 1.01 -1.26 0.51 121.20 123.45 1wfi s ILE 73 Ca 0.20 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 1wfi s ILE 73 Cb -0.03 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 1wfi s ILE 73 CO 0.13 0.43 0.77 -1.61 0.00 0.00 0.00 174.94 174.65 1wfi s GLU 74 N 1.30 4.50 -0.35 2.79 0.41 0.55 -3.69 118.70 124.21 1wfi s GLU 74 Ca 0.04 1.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.67 1wfi s GLU 74 Cb -0.14 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 1wfi s GLU 74 CO -0.01 0.29 0.00 -0.25 -0.49 0.00 0.00 175.26 174.80 1wfi n ASP 75 N 2.77 -1.72 -4.04 -0.19 9.92 -1.26 -0.05 116.55 121.99 1wfi n ASP 75 Ca -0.02 0.34 -0.28 0.00 -0.53 0.00 0.00 54.79 54.30 1wfi n ASP 75 Cb 0.50 -1.63 -0.04 0.00 -0.64 0.00 0.00 41.12 39.31 1wfi n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfi n GLY 76 N -0.49 -0.27 0.14 0.44 0.00 -1.24 -4.68 105.19 99.10 1wfi n GLY 76 Ca -0.04 0.18 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 -4.46 0.00 -4.04 1.61 2.85 0.93 -3.21 118.16 111.83 1wfi n LYS 77 Ca -0.30 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.61 1wfi n LYS 77 Cb 0.68 -0.06 -0.07 0.00 -0.65 0.00 0.00 35.03 34.93 1wfi n LYS 77 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wfi s VAL 78 N -1.07 5.08 -0.28 0.58 1.01 -0.21 -2.64 120.40 122.87 1wfi s VAL 78 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1wfi s VAL 78 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1wfi s VAL 78 CO 0.00 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.13 1wfi s VAL 79 N -1.05 5.13 -0.08 2.92 1.01 0.21 0.21 120.40 128.74 1wfi s VAL 79 Ca 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1wfi s VAL 79 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1wfi s VAL 79 CO 0.07 0.24 -0.03 0.42 0.00 0.00 0.00 175.10 175.80 1wfi s THR 80 N 1.73 4.03 -0.19 3.92 -4.23 0.18 0.20 115.64 121.28 1wfi s THR 80 Ca 0.07 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1wfi s THR 80 Cb -0.16 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.04 1wfi s THR 80 CO 0.10 0.59 -0.08 -0.69 -0.54 0.00 0.00 174.62 174.00 1wfi s VAL 81 N -0.76 1.45 -0.74 2.29 1.01 0.47 -0.24 120.40 123.87 1wfi s VAL 81 Ca 0.12 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1wfi s VAL 81 Cb -0.11 -1.57 0.19 0.00 0.00 0.00 0.00 36.38 34.88 1wfi s VAL 81 CO 0.02 0.13 0.70 -2.28 0.00 0.00 0.00 175.10 173.67 1wfi s HIS 82 N 1.48 3.57 0.40 5.22 5.04 0.60 0.44 115.29 132.04 1wfi s HIS 82 Ca -0.01 -1.73 -0.07 0.00 -1.54 0.00 0.00 55.06 51.71 1wfi s HIS 82 Cb -0.16 -3.84 0.10 0.00 0.04 0.00 0.00 32.58 28.72 1wfi s HIS 82 CO -0.08 -1.03 0.43 1.28 -2.34 0.00 0.00 174.74 173.01 1wfi n LEU 83 N 4.52 0.00 -3.60 8.88 7.99 0.53 -0.49 117.00 134.82 1wfi n LEU 83 Ca 0.05 -0.47 -0.01 0.00 -0.01 0.00 0.00 56.01 55.57 1wfi n LEU 83 Cb 0.45 -0.36 -0.04 0.00 -0.11 0.00 0.00 43.42 43.35 1wfi n LEU 83 CO 0.41 -1.15 0.35 -1.61 -1.51 0.00 0.00 177.39 173.87 1wfi s GLU 84 N -3.96 0.54 0.13 3.23 0.41 -1.26 -3.11 118.70 114.68 1wfi s GLU 84 Ca 0.26 1.28 -0.31 0.00 -0.41 0.00 0.00 54.97 55.79 1wfi s GLU 84 Cb -0.02 0.69 -0.08 0.00 -1.78 0.00 0.00 34.13 32.95 1wfi s GLU 84 CO 0.19 -0.17 1.29 0.15 -0.49 0.00 0.00 175.26 176.23 1wfi s LYS 85 N 2.62 4.39 0.27 1.61 1.02 -0.90 0.19 119.74 128.95 1wfi s LYS 85 Ca -0.06 1.96 -0.09 0.00 0.02 0.00 0.00 55.97 57.80 1wfi s LYS 85 Cb -0.10 -3.26 0.44 0.00 -0.52 0.00 0.00 37.83 34.40 1wfi s LYS 85 CO -0.19 -0.29 1.55 -0.89 -0.92 0.00 0.00 175.35 174.62 1wfi n ILE 86 N 3.37 -0.42 -2.81 2.17 2.08 -1.19 -3.44 119.36 119.12 1wfi n ILE 86 Ca 0.08 2.28 -0.10 0.00 0.56 0.00 0.00 62.75 65.57 1wfi n ILE 86 Cb 0.44 -3.14 0.07 0.00 -0.75 0.00 0.00 39.64 36.26 1wfi n ILE 86 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wfi n ASN 87 N -5.61 -1.63 -3.29 4.38 3.02 -1.26 -4.84 115.26 106.03 1wfi n ASN 87 Ca 0.16 -3.42 -0.34 0.00 -0.03 0.00 0.00 54.58 50.95 1wfi n ASN 87 Cb 0.49 1.32 0.03 0.00 -0.61 0.00 0.00 39.78 41.01 1wfi n ASN 87 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wfi n LYS 88 N 0.23 -1.66 0.00 3.52 2.85 -1.22 -4.88 118.16 116.99 1wfi n LYS 88 Ca 0.08 1.17 0.00 0.00 -1.05 0.00 0.00 58.31 58.52 1wfi n LYS 88 Cb 0.71 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1wfi n LYS 88 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfi n MET 89 N -0.48 0.00 -2.35 -1.58 2.81 -1.26 -4.95 117.12 109.30 1wfi n MET 89 Ca -0.11 0.27 -0.03 0.00 -1.81 0.00 0.00 57.70 56.02 1wfi n MET 89 Cb 0.61 -1.18 0.01 0.00 -0.71 0.00 0.00 33.22 31.96 1wfi n MET 89 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1wfi n GLU 90 N -1.16 0.46 -2.55 0.03 0.28 -1.26 -5.06 120.64 111.37 1wfi n GLU 90 Ca 0.00 -0.93 -0.42 0.00 -0.16 0.00 0.00 57.16 55.65 1wfi n GLU 90 Cb 0.00 1.18 -0.01 0.00 1.43 0.00 0.00 31.44 34.04 1wfi n GLU 90 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1wfi s TRP 91 N -5.39 2.68 0.52 -1.84 -0.00 -1.26 -4.74 118.94 108.91 1wfi s TRP 91 Ca 0.08 -1.33 -0.18 0.00 -0.00 0.00 0.00 56.10 54.67 1wfi s TRP 91 Cb -0.02 -4.71 -0.13 0.00 -0.00 0.00 0.00 33.47 28.60 1wfi s TRP 91 CO 0.05 -1.82 0.04 0.91 -0.00 0.00 0.00 176.95 176.12 1wfi n TRP 92 N 8.78 -2.35 0.35 5.86 7.02 -1.26 -4.88 117.44 130.96 1wfi n TRP 92 Ca 0.45 0.45 0.04 0.00 -1.02 0.00 0.00 57.50 57.42 1wfi n TRP 92 Cb 0.47 -1.75 0.02 0.00 -2.42 0.00 0.00 31.31 27.63 1wfi n TRP 92 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1wfi n ASN 93 N 2.01 1.38 -3.52 -0.99 3.02 -1.26 -5.02 115.26 110.88 1wfi n ASN 93 Ca 0.09 -1.19 -0.14 0.00 -0.03 0.00 0.00 54.58 53.31 1wfi n ASN 93 Cb 0.47 0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.93 1.12 0.01 3.52 1.04 -1.26 -5.06 118.95 117.39 1wfi s ARG 94 Ca 0.08 -0.28 -0.24 0.00 -1.04 0.00 0.00 55.73 54.25 1wfi s ARG 94 Cb 0.07 0.51 -0.18 0.00 -2.04 0.00 0.00 34.95 33.31 1wfi s ARG 94 CO 0.15 -0.43 1.38 1.25 -0.04 0.00 0.00 175.30 177.61 1wfi h LEU 95 N 2.54 0.08 -8.06 -1.89 7.12 -1.97 -3.45 115.31 109.68 1wfi h LEU 95 Ca -0.32 -0.39 -0.20 0.00 0.13 0.00 0.00 57.88 57.11 1wfi h LEU 95 Cb 1.24 -0.02 -0.21 0.00 -0.53 0.00 0.00 40.66 41.14 1wfi h LEU 95 CO 0.40 0.45 -0.71 0.54 -0.13 0.00 0.00 178.44 179.00 1wfi s VAL 96 N -4.65 0.25 0.55 1.05 0.11 -1.26 -4.22 120.40 112.23 1wfi s VAL 96 Ca -0.15 -1.04 0.33 0.00 -2.93 0.00 0.00 61.98 58.20 1wfi s VAL 96 Cb 0.03 -0.47 0.50 0.00 -1.53 0.00 0.00 36.38 34.92 1wfi s VAL 96 CO 0.69 -0.51 1.84 0.71 -3.33 0.00 0.00 175.10 174.51 1wfi h THR 97 N 4.48 0.46 -1.71 5.04 1.35 -1.66 -3.42 112.91 117.45 1wfi h THR 97 Ca -0.33 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.56 1wfi h THR 97 Cb 1.20 0.49 -0.22 0.00 -1.73 0.00 0.00 68.15 67.88 1wfi h THR 97 CO 0.43 0.00 0.41 -0.55 -0.25 0.00 0.00 175.52 175.56 1wfi s SER 98 N -5.36 -0.48 0.60 5.36 0.15 -1.26 -5.08 113.70 107.63 1wfi s SER 98 Ca -0.05 0.63 -0.12 0.00 0.70 0.00 0.00 55.95 57.11 1wfi s SER 98 Cb 0.21 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 65.01 1wfi s SER 98 CO 0.76 -0.37 1.02 1.51 1.20 0.00 0.00 173.24 177.36 1wfi s ASP 99 N -0.80 6.29 0.00 5.45 1.47 -1.26 -4.37 116.67 123.45 1wfi s ASP 99 Ca -0.03 1.46 0.00 0.00 1.18 0.00 0.00 52.55 55.16 1wfi s ASP 99 Cb -0.01 -2.48 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 1wfi s ASP 99 CO 0.02 -0.82 0.05 -0.81 0.68 0.00 0.00 175.17 174.29 1wfi n PRO 100 N -2.49 0.00 0.09 2.11 -0.04 -1.26 -5.03 135.00 128.38 1wfi n PRO 100 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1wfi n PRO 100 Cb 0.54 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 1wfi n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfi n GLU 101 N -0.22 0.00 -1.31 0.54 1.02 -1.26 -5.08 120.64 114.33 1wfi n GLU 101 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1wfi n GLU 101 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1wfi n GLU 101 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wfi n ILE 102 N -3.08 -0.50 -1.96 -3.67 5.41 -1.26 -4.44 119.36 109.85 1wfi n ILE 102 Ca 0.00 0.66 -0.03 0.00 1.00 0.00 0.00 62.75 64.38 1wfi n ILE 102 Cb 0.00 -1.08 -0.01 0.00 -0.71 0.00 0.00 39.64 37.84 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 -4.22 -0.57 -4.44 4.38 3.02 -1.26 -4.84 115.26 107.34 1wfi n ASN 103 Ca -0.06 -1.17 -0.33 0.00 -0.03 0.00 0.00 54.58 52.99 1wfi n ASN 103 Cb 0.61 0.20 -0.13 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.02 3.16 0.30 3.41 -4.23 -1.26 -5.03 115.64 112.00 1wfi s THR 104 Ca 0.01 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1wfi s THR 104 Cb 0.06 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1wfi s THR 104 CO -0.02 0.56 0.00 1.17 -0.54 0.00 0.00 174.62 175.79 1wfi n LYS 105 N 2.93 -2.16 -0.30 3.99 4.81 -1.26 -4.87 118.16 121.30 1wfi n LYS 105 Ca -0.18 1.53 -0.04 0.00 -0.87 0.00 0.00 58.31 58.75 1wfi n LYS 105 Cb 0.52 -2.69 0.03 0.00 0.02 0.00 0.00 35.03 32.92 1wfi n LYS 105 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1wfi n LYS 106 N -3.42 -0.18 0.01 1.64 4.01 -1.26 -4.87 118.16 114.08 1wfi n LYS 106 Ca -0.01 -0.31 -0.10 0.00 -0.51 0.00 0.00 58.31 57.37 1wfi n LYS 106 Cb 0.63 -0.21 -0.07 0.00 -0.51 0.00 0.00 35.03 34.87 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 -1.10 0.00 -3.78 -0.18 5.03 -1.90 -3.40 117.51 112.16 1wfi h ILE 107 Ca -0.07 0.00 -0.48 0.00 -0.12 0.00 0.00 64.86 64.19 1wfi h ILE 107 Cb 0.18 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.95 1wfi h ILE 107 CO 0.05 0.00 0.33 0.21 -0.68 0.00 0.00 178.15 178.06 1wfi s ASN 108 N -4.03 7.49 -0.07 1.72 2.47 -1.26 -3.43 114.94 117.83 1wfi s ASN 108 Ca -0.10 1.87 -0.17 0.00 0.42 0.00 0.00 52.86 54.88 1wfi s ASN 108 Cb 0.05 -2.59 -0.12 0.00 -1.45 0.00 0.00 41.25 37.13 1wfi s ASN 108 CO 0.40 0.07 0.64 1.55 -3.72 0.00 0.00 177.10 176.04 1wfi h PRO 109 N 3.75 -0.19 -4.17 0.43 0.13 -1.85 -3.50 132.00 126.60 1wfi h PRO 109 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wfi h PRO 109 Cb 1.20 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1wfi h PRO 109 CO 0.67 0.17 -0.89 -1.91 -0.23 0.00 0.00 178.00 175.81 1wfi n GLU 110 N -4.89 -3.75 0.00 0.86 2.13 -1.26 -4.93 120.64 108.80 1wfi n GLU 110 Ca -0.06 2.87 0.00 0.00 0.66 0.00 0.00 57.16 60.63 1wfi n GLU 110 Cb 0.23 -3.78 0.00 0.00 0.27 0.00 0.00 31.44 28.15 1wfi n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wfi n ASN 111 N 1.34 0.00 -2.96 4.31 5.15 -1.26 -5.14 115.26 116.70 1wfi n ASN 111 Ca -0.11 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.91 1wfi n ASN 111 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1wfi n ASN 111 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wfi s SER 112 N 0.00 -0.27 -0.28 1.20 0.01 -1.26 -5.14 113.70 107.97 1wfi s SER 112 Ca 0.00 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 1wfi s SER 112 Cb 0.00 0.77 -0.05 0.00 0.21 0.00 0.00 66.02 66.95 1wfi s SER 112 CO 0.00 -0.04 0.18 -0.54 0.41 0.00 0.00 173.24 173.25 1wfi s LYS 113 N 2.50 3.94 -0.52 12.44 -0.14 -1.26 -5.03 119.74 131.67 1wfi s LYS 113 Ca 0.22 -0.33 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 1wfi s LYS 113 Cb 0.01 -3.63 0.13 0.00 -1.68 0.00 0.00 37.83 32.66 1wfi s LYS 113 CO -0.19 -0.17 0.27 -0.51 -0.76 0.00 0.00 175.35 174.00 1wfi s LEU 114 N 1.71 4.67 0.42 3.17 1.43 -1.26 -4.76 118.68 124.05 1wfi s LEU 114 Ca 0.07 -2.80 0.00 0.00 -1.03 0.00 0.00 54.13 50.37 1wfi s LEU 114 Cb -0.16 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1wfi s LEU 114 CO 0.10 -0.30 0.00 -1.20 0.23 0.00 0.00 176.35 175.18 1wfi n SER 115 N 3.44 -3.41 -4.56 2.29 7.64 -1.26 -5.03 113.62 112.73 1wfi n SER 115 Ca 0.05 0.79 -0.16 0.00 1.01 0.00 0.00 58.87 60.56 1wfi n SER 115 Cb 0.35 3.23 -0.07 0.00 -1.01 0.00 0.00 64.21 66.71 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 -2.44 4.08 1.04 6.43 1.01 -1.26 -4.90 116.67 120.62 1wfi s ASP 116 Ca 0.00 -0.26 -0.13 0.00 0.71 0.00 0.00 52.55 52.87 1wfi s ASP 116 Cb 0.00 -2.56 0.21 0.00 1.01 0.00 0.00 42.92 41.58 1wfi s ASP 116 CO 0.00 -3.78 1.09 -1.48 0.21 0.00 0.00 175.17 171.21 1wfi s LEU 117 N 14.17 1.39 0.43 1.23 2.34 -1.26 -5.07 118.68 131.91 1wfi s LEU 117 Ca 0.86 1.17 0.06 0.00 0.06 0.00 0.00 54.13 56.29 1wfi s LEU 117 Cb -0.10 -3.28 -0.06 0.00 -0.56 0.00 0.00 46.19 42.18 1wfi s LEU 117 CO 0.08 -3.36 0.05 1.51 -1.06 0.00 0.00 176.35 173.57 1wfi s ASP 118 N -3.36 4.04 0.00 1.48 1.47 -1.26 -5.15 116.67 113.89 1wfi s ASP 118 Ca 0.66 -1.37 0.00 0.00 1.18 0.00 0.00 52.55 53.02 1wfi s ASP 118 Cb -0.19 -0.21 0.00 0.00 -0.34 0.00 0.00 42.92 42.18 1wfi s ASP 118 CO 0.58 -0.56 0.00 -1.20 0.68 0.00 0.00 175.17 174.67 1wfi n SER 119 N -1.10 0.00 -3.33 2.11 7.64 -1.26 -5.13 113.62 112.55 1wfi n SER 119 Ca -0.07 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.62 1wfi n SER 119 Cb 0.66 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.79 1wfi n SER 119 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1wfi s GLU 120 N 4.46 0.71 -0.00 1.43 4.04 -1.26 -5.12 118.70 122.96 1wfi s GLU 120 Ca 0.00 -1.18 -0.15 0.00 0.04 0.00 0.00 54.97 53.68 1wfi s GLU 120 Cb 0.00 -0.88 0.02 0.00 0.02 0.00 0.00 34.13 33.30 1wfi s GLU 120 CO 0.00 -1.25 0.32 -0.08 -1.84 0.00 0.00 175.26 172.42 1wfi s THR 121 N 1.08 0.06 -0.10 1.83 -1.32 -1.26 -5.17 115.64 110.75 1wfi s THR 121 Ca 0.21 -0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 59.89 1wfi s THR 121 Cb -0.12 -0.70 0.09 0.00 -1.51 0.00 0.00 72.50 70.27 1wfi s THR 121 CO -0.05 -0.28 0.81 0.00 -2.21 0.00 0.00 174.62 172.90 1wfi s ARG 122 N -1.59 0.86 0.58 7.08 1.04 -1.26 -5.14 118.95 120.52 1wfi s ARG 122 Ca -0.12 0.24 0.00 0.00 -1.04 0.00 0.00 55.73 54.81 1wfi s ARG 122 Cb -0.04 0.41 0.00 0.00 -2.04 0.00 0.00 34.95 33.28 1wfi s ARG 122 CO 0.03 -0.26 0.00 0.45 -0.04 0.00 0.00 175.30 175.48 1wfi n SER 123 N 0.91 -7.55 0.00 -2.89 2.88 -1.26 -5.01 113.62 100.70 1wfi n SER 123 Ca -0.15 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1wfi n SER 123 Cb 0.57 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 1wfi n SER 123 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1wfi n MET 124 N -4.29 0.00 -3.51 -1.46 1.56 -1.26 -5.15 117.12 103.01 1wfi n MET 124 Ca -0.08 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.34 1wfi n MET 124 Cb 0.66 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.98 1wfi n MET 124 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1wfi s VAL 125 N 0.00 -0.35 -0.29 1.12 0.11 -1.26 -5.16 120.40 114.56 1wfi s VAL 125 Ca 0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 1wfi s VAL 125 Cb 0.00 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 1wfi s VAL 125 CO 0.00 0.00 1.22 -0.55 -3.33 0.00 0.00 175.10 172.44 1wfi s SER 126 N 2.07 -0.23 -0.35 3.54 0.15 -1.26 -5.13 113.70 112.50 1wfi s SER 126 Ca -0.05 0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.94 1wfi s SER 126 Cb -0.06 0.72 0.20 0.00 -1.71 0.00 0.00 66.02 65.17 1wfi s SER 126 CO -0.17 -0.07 1.04 -0.83 1.20 0.00 0.00 173.24 174.42 1wfi s GLY 127 N 0.59 -1.71 1.04 9.45 0.00 -1.26 -5.17 107.32 110.25 1wfi s GLY 127 Ca -0.01 0.82 -0.18 0.00 0.00 0.00 0.00 44.72 45.36 1wfi s GLY 127 CO -0.12 4.26 1.14 -1.55 0.00 0.00 0.00 173.10 176.83 1wfi n PRO 128 N 3.14 -2.10 -4.24 2.90 -0.04 -1.26 -5.10 135.00 128.30 1wfi n PRO 128 Ca 0.09 -1.79 -0.17 0.00 -0.04 0.00 0.00 63.50 61.59 1wfi n PRO 128 Cb 0.63 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 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 -4.94 1.92 0.00 3.54 1.04 -1.26 -5.15 113.70 108.86 1wfi s SER 129 Ca 0.69 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1wfi s SER 129 Cb -0.04 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1wfi s SER 129 CO 0.50 -0.20 0.00 -0.24 0.98 0.00 0.00 173.24 174.28 1wfi n SER 130 N 0.32 0.00 0.00 7.02 2.88 -1.26 -5.37 113.62 117.21 1wfi n SER 130 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1wfi n SER 130 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1wfi n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42