#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 -4.68 1.61 7.64 -1.26 -4.84 113.62 112.09 1wfi n SER 2 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 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 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfi n SER 3 N 1.96 3.61 0.00 6.43 2.88 -1.26 -4.67 113.62 122.58 1wfi n SER 3 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wfi n SER 3 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 1wfi n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfi n GLY 4 N 4.03 -1.88 3.28 0.46 0.00 -1.26 -5.14 105.19 104.68 1wfi n GLY 4 Ca 0.19 0.57 -0.34 0.00 0.00 0.00 0.00 46.02 46.44 1wfi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfi n SER 5 N -0.91 -3.23 -3.65 1.61 2.88 -1.26 -5.02 113.62 104.04 1wfi n SER 5 Ca 0.00 0.24 -0.03 0.00 -1.33 0.00 0.00 58.87 57.75 1wfi n SER 5 Cb 0.00 -1.04 -0.05 0.00 -0.75 0.00 0.00 64.21 62.37 1wfi n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfi s SER 6 N -1.69 -0.98 0.00 -3.46 0.15 -1.26 -4.84 113.70 101.62 1wfi s SER 6 Ca 0.51 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1wfi s SER 6 Cb -0.18 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 1wfi s SER 6 CO 0.72 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1wfi n GLY 7 N 5.32 3.31 0.00 9.45 0.00 -1.26 -5.09 105.19 116.92 1wfi n GLY 7 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.78 0.63 -1.42 1.61 -0.04 -1.26 -4.33 135.00 129.41 1wfi n PRO 8 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wfi n PRO 8 Cb 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.56 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 5.02 -3.91 3.54 4.13 -1.25 -4.63 115.26 117.42 1wfi n ASN 9 Ca 0.00 -3.77 -0.08 0.00 1.68 0.00 0.00 54.58 52.41 1wfi n ASN 9 Cb 0.00 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.55 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 -3.56 0.04 -0.02 3.10 -0.85 -1.26 -4.85 117.35 109.95 1wfi s TYR 10 Ca 0.54 -0.45 -0.01 0.00 -0.52 0.00 0.00 57.07 56.63 1wfi s TYR 10 Cb 0.45 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 43.23 1wfi s TYR 10 CO 0.02 -1.12 0.09 1.03 -1.52 0.00 0.00 175.55 174.04 1wfi s ARG 11 N -3.96 3.11 -0.21 -3.49 0.52 -0.98 -5.00 118.95 108.95 1wfi s ARG 11 Ca 0.15 -0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 54.82 1wfi s ARG 11 Cb -0.03 -2.90 0.07 0.00 0.52 0.00 0.00 34.95 32.61 1wfi s ARG 11 CO 0.07 0.66 0.49 1.67 0.02 0.00 0.00 175.30 178.21 1wfi s TRP 12 N -1.17 -0.77 0.00 -0.53 1.48 -1.26 -0.65 118.94 116.05 1wfi s TRP 12 Ca 0.22 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 56.82 1wfi s TRP 12 Cb -0.12 0.38 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 1wfi s TRP 12 CO 0.13 -0.42 0.00 0.25 -4.06 0.00 0.00 176.95 172.84 1wfi n THR 13 N 4.50 0.00 0.00 0.66 -2.24 0.11 -4.94 114.28 112.38 1wfi n THR 13 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1wfi n THR 13 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.25 -1.56 -0.78 10.64 -1.26 -0.97 117.38 123.20 1wfi n GLN 14 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1wfi n GLN 14 Cb 0.00 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 29.47 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 -0.29 1.52 -1.07 -0.39 5.66 -0.71 -4.92 114.28 114.08 1wfi n THR 15 Ca 0.00 -2.80 -0.03 0.00 -3.05 0.00 0.00 64.05 58.17 1wfi n THR 15 Cb 0.00 0.17 -0.01 0.00 -1.55 0.00 0.00 70.33 68.94 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 -0.50 0.40 0.10 1.09 4.77 -1.26 -4.53 117.00 117.08 1wfi n LEU 16 Ca 0.19 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1wfi n LEU 16 Cb 0.90 -1.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1wfi n LEU 16 CO 0.08 -0.72 0.00 0.00 -1.33 0.00 0.00 177.39 175.42 1wfi n ALA 17 N 1.05 2.43 -2.78 -1.18 0.00 -1.26 -3.53 120.51 115.25 1wfi n ALA 17 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 1wfi n ALA 17 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 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 2.80 -0.11 0.00 2.02 -1.26 -2.79 118.70 117.35 1wfi s GLU 18 Ca 0.00 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1wfi s GLU 18 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 1wfi s GLU 18 CO 0.00 0.46 -0.16 -0.51 0.02 0.00 0.00 175.26 175.06 1wfi s LEU 19 N -3.25 2.53 0.05 1.80 1.43 0.20 -1.73 118.68 119.70 1wfi s LEU 19 Ca 0.31 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1wfi s LEU 19 Cb -0.09 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1wfi s LEU 19 CO 0.23 0.18 -0.12 -1.81 0.23 0.00 0.00 176.35 175.05 1wfi s ASP 20 N 0.26 4.23 -0.11 2.29 1.11 -0.14 -0.51 116.67 123.80 1wfi s ASP 20 Ca -0.11 -0.33 -0.13 0.00 0.18 0.00 0.00 52.55 52.16 1wfi s ASP 20 Cb -0.16 -0.82 0.03 0.00 1.07 0.00 0.00 42.92 43.04 1wfi s ASP 20 CO 0.06 0.24 0.35 -0.22 1.18 0.00 0.00 175.17 176.79 1wfi s LEU 21 N -1.65 0.66 -0.13 1.23 2.96 0.11 0.10 118.68 121.96 1wfi s LEU 21 Ca 0.17 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.65 1wfi s LEU 21 Cb -0.11 1.25 0.06 0.00 0.50 0.00 0.00 46.19 47.89 1wfi s LEU 21 CO 0.08 -0.19 0.20 0.00 -1.32 0.00 0.00 176.35 175.13 1wfi s ALA 22 N -0.10 -0.28 -0.33 5.97 0.00 0.18 0.33 121.76 127.54 1wfi s ALA 22 Ca -0.03 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1wfi s ALA 22 Cb -0.03 -1.01 0.08 0.00 0.00 0.00 0.00 23.12 22.16 1wfi s ALA 22 CO 0.01 -0.78 0.05 0.08 0.00 0.00 0.00 175.76 175.12 1wfi s VAL 23 N 2.33 2.68 0.52 0.00 1.01 0.32 -2.33 120.40 124.94 1wfi s VAL 23 Ca 0.04 -1.92 -0.18 0.00 0.00 0.00 0.00 61.98 59.91 1wfi s VAL 23 Cb -0.13 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1wfi s VAL 23 CO -0.08 -0.40 1.04 -2.16 0.00 0.00 0.00 175.10 173.50 1wfi s PRO 24 N 1.08 3.65 0.03 2.72 0.04 -1.26 0.69 135.00 141.95 1wfi s PRO 24 Ca 0.03 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1wfi s PRO 24 Cb -0.20 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1wfi s PRO 24 CO -0.05 -0.55 -0.09 -0.06 0.04 0.00 0.00 177.00 176.29 1wfi s PHE 25 N -2.18 0.80 -0.86 0.56 0.08 -1.23 -4.88 117.98 110.27 1wfi s PHE 25 Ca 0.65 -0.32 -0.18 0.00 0.12 0.00 0.00 56.93 57.20 1wfi s PHE 25 Cb -0.16 -0.48 0.14 0.00 -0.57 0.00 0.00 43.02 41.94 1wfi s PHE 25 CO 0.26 -0.02 1.02 1.03 -0.10 0.00 0.00 175.22 177.41 1wfi s ARG 26 N -0.98 3.50 0.16 0.44 1.81 -1.26 -4.66 118.95 117.96 1wfi s ARG 26 Ca -0.02 -1.74 -0.00 0.00 -1.72 0.00 0.00 55.73 52.24 1wfi s ARG 26 Cb -0.07 -4.72 -0.04 0.00 -0.45 0.00 0.00 34.95 29.67 1wfi s ARG 26 CO 0.00 -1.68 0.05 0.14 -0.68 0.00 0.00 175.30 173.14 1wfi s VAL 27 N 2.43 0.28 -0.72 3.52 -7.23 -1.26 -5.04 120.40 112.38 1wfi s VAL 27 Ca 0.28 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.56 1wfi s VAL 27 Cb -0.08 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.73 1wfi s VAL 27 CO -0.06 -0.37 0.71 -0.24 -0.31 0.00 0.00 175.10 174.82 1wfi n SER 28 N -0.19 1.53 -4.61 4.85 2.88 -1.26 -5.02 113.62 111.81 1wfi n SER 28 Ca -0.04 -1.28 -0.28 0.00 -1.33 0.00 0.00 58.87 55.94 1wfi n SER 28 Cb 0.64 -0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.51 2.49 -0.48 0.66 -0.12 -1.26 -5.10 117.98 113.66 1wfi s PHE 29 Ca 0.07 -0.65 -0.23 0.00 -0.05 0.00 0.00 56.93 56.07 1wfi s PHE 29 Cb 0.05 -1.71 0.03 0.00 -0.63 0.00 0.00 43.02 40.76 1wfi s PHE 29 CO 0.07 0.46 0.80 1.03 -0.05 0.00 0.00 175.22 177.53 1wfi s ARG 30 N -3.70 3.35 0.11 1.99 0.52 -1.25 -4.60 118.95 115.36 1wfi s ARG 30 Ca 0.35 -0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 55.00 1wfi s ARG 30 Cb 0.09 -3.99 -0.09 0.00 0.52 0.00 0.00 34.95 31.49 1wfi s ARG 30 CO 0.18 -1.21 1.56 -0.51 0.02 0.00 0.00 175.30 175.33 1wfi s LEU 31 N 3.35 4.36 0.66 2.53 1.43 0.60 -4.99 118.68 126.61 1wfi s LEU 31 Ca 0.28 2.49 0.01 0.00 -1.03 0.00 0.00 54.13 55.87 1wfi s LEU 31 Cb -0.13 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.61 1wfi s LEU 31 CO 0.20 -0.81 0.91 -1.59 0.23 0.00 0.00 176.35 175.29 1wfi s LYS 32 N 1.79 1.98 0.13 1.70 0.00 -1.26 -4.76 119.74 119.33 1wfi s LYS 32 Ca 0.70 -1.09 0.22 0.00 0.00 0.00 0.00 55.97 55.81 1wfi s LYS 32 Cb -0.40 -2.41 0.89 0.00 0.00 0.00 0.00 37.83 35.91 1wfi s LYS 32 CO 0.31 -1.18 1.69 0.41 0.00 0.00 0.00 175.35 176.58 1wfi n GLY 33 N -2.63 -1.33 1.07 0.59 0.00 -1.26 -1.93 105.19 99.70 1wfi n GLY 33 Ca 0.13 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1wfi n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wfi n LYS 34 N -1.91 2.95 -0.00 1.61 2.85 -1.26 -4.11 118.16 118.29 1wfi n LYS 34 Ca 0.04 -2.46 0.03 0.00 -1.05 0.00 0.00 58.31 54.87 1wfi n LYS 34 Cb 0.27 -1.51 -0.04 0.00 -0.65 0.00 0.00 35.03 33.11 1wfi n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wfi n ASP 35 N 0.99 0.94 -4.63 -5.58 2.03 -0.82 -4.96 116.55 104.53 1wfi n ASP 35 Ca 0.19 -0.52 -0.26 0.00 0.52 0.00 0.00 54.79 54.73 1wfi n ASP 35 Cb 0.60 1.06 -0.09 0.00 -0.72 0.00 0.00 41.12 41.96 1wfi n ASP 35 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wfi s VAL 36 N -1.75 2.30 -0.33 5.18 0.11 -1.17 -1.54 120.40 123.20 1wfi s VAL 36 Ca 0.01 -1.99 -0.01 0.00 -2.93 0.00 0.00 61.98 57.07 1wfi s VAL 36 Cb 0.05 -2.85 0.11 0.00 -1.53 0.00 0.00 36.38 32.15 1wfi s VAL 36 CO 0.25 -0.11 0.14 -0.69 -3.33 0.00 0.00 175.10 171.37 1wfi s VAL 37 N -2.61 0.61 -0.42 2.04 1.01 0.14 -4.57 120.40 116.60 1wfi s VAL 37 Ca 0.35 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1wfi s VAL 37 Cb 0.04 -1.46 0.11 0.00 0.00 0.00 0.00 36.38 35.06 1wfi s VAL 37 CO 0.19 -0.77 0.23 -0.69 0.00 0.00 0.00 175.10 174.06 1wfi s VAL 38 N 1.48 3.54 -0.50 2.92 1.01 -1.26 -2.26 120.40 125.33 1wfi s VAL 38 Ca 0.12 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.02 1wfi s VAL 38 Cb -0.19 -3.37 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1wfi s VAL 38 CO -0.21 -0.68 0.43 -0.62 0.00 0.00 0.00 175.10 174.03 1wfi s ASP 39 N 2.02 6.05 -0.59 3.32 2.15 0.36 -4.98 116.67 125.00 1wfi s ASP 39 Ca 0.07 -1.69 -0.17 0.00 0.43 0.00 0.00 52.55 51.19 1wfi s ASP 39 Cb -0.23 -2.15 0.13 0.00 -0.30 0.00 0.00 42.92 40.36 1wfi s ASP 39 CO -0.03 -0.76 0.60 -0.63 -0.17 0.00 0.00 175.17 174.18 1wfi s ILE 40 N 1.55 5.13 0.53 4.11 1.01 -1.26 -0.71 121.20 131.56 1wfi s ILE 40 Ca 0.04 -1.45 0.08 0.00 0.00 0.00 0.00 60.65 59.32 1wfi s ILE 40 Cb -0.28 -4.40 0.06 0.00 0.01 0.00 0.00 42.46 37.85 1wfi s ILE 40 CO 0.03 -0.97 0.73 -1.10 0.00 0.00 0.00 174.94 173.63 1wfi s GLN 41 N 1.79 2.44 0.07 2.79 -1.52 0.65 -4.78 119.66 121.10 1wfi s GLN 41 Ca 0.07 -1.45 -0.26 0.00 -1.95 0.00 0.00 55.36 51.78 1wfi s GLN 41 Cb -0.26 -2.66 -0.17 0.00 -0.22 0.00 0.00 33.01 29.71 1wfi s GLN 41 CO 0.03 -0.70 1.61 -0.09 -0.25 0.00 0.00 175.29 175.89 1wfi h ARG 42 N 0.28 -0.27 -1.52 2.91 9.65 -1.96 -3.32 114.38 120.15 1wfi h ARG 42 Ca -0.34 0.02 -0.51 0.00 -1.10 0.00 0.00 59.98 58.05 1wfi h ARG 42 Cb 1.28 0.06 -0.41 0.00 -1.39 0.00 0.00 29.97 29.51 1wfi h ARG 42 CO 0.42 -0.12 -0.91 -2.13 2.80 0.00 0.00 179.97 180.04 1wfi n ARG 43 N -5.18 2.46 -3.65 0.20 0.63 -1.26 0.32 116.66 110.18 1wfi n ARG 43 Ca -0.09 -4.07 -0.03 0.00 -0.92 0.00 0.00 57.85 52.74 1wfi n ARG 43 Cb 0.16 -1.89 -0.07 0.00 0.45 0.00 0.00 32.46 31.12 1wfi n ARG 43 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wfi s HIS 44 N -3.29 -0.22 -0.14 -0.14 2.46 -1.25 -3.88 115.29 108.83 1wfi s HIS 44 Ca 0.41 0.51 -0.01 0.00 0.47 0.00 0.00 55.06 56.44 1wfi s HIS 44 Cb 0.40 0.36 0.04 0.00 -0.13 0.00 0.00 32.58 33.24 1wfi s HIS 44 CO -0.10 -0.11 -0.04 -1.17 -2.47 0.00 0.00 174.74 170.85 1wfi s LEU 45 N 0.42 1.29 -0.21 8.88 2.96 -1.18 -0.25 118.68 130.60 1wfi s LEU 45 Ca 0.02 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1wfi s LEU 45 Cb -0.04 -0.79 0.04 0.00 0.50 0.00 0.00 46.19 45.89 1wfi s LEU 45 CO -0.12 -0.18 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.97 1wfi s ARG 46 N 1.73 2.67 0.07 1.98 3.52 0.11 -1.30 118.95 127.73 1wfi s ARG 46 Ca 0.02 -1.03 0.06 0.00 -0.13 0.00 0.00 55.73 54.65 1wfi s ARG 46 Cb -0.14 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 1wfi s ARG 46 CO -0.07 -0.35 -0.15 0.08 -0.81 0.00 0.00 175.30 173.99 1wfi s VAL 47 N 1.22 1.20 0.00 7.11 1.01 -0.03 0.14 120.40 131.06 1wfi s VAL 47 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1wfi s VAL 47 Cb -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1wfi s VAL 47 CO -0.10 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1wfi n GLY 48 N 1.35 3.59 3.70 4.51 0.00 -0.96 -1.19 105.19 116.19 1wfi n GLY 48 Ca -0.20 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 4.33 -0.04 0.99 2.01 -1.26 0.27 118.68 124.98 1wfi s LEU 49 Ca 0.00 1.80 -0.37 0.00 0.01 0.00 0.00 54.13 55.57 1wfi s LEU 49 Cb 0.00 -3.57 -0.18 0.00 0.01 0.00 0.00 46.19 42.45 1wfi s LEU 49 CO 0.00 -0.45 1.01 1.17 1.01 0.00 0.00 176.35 179.09 1wfi n LYS 50 N 4.44 0.00 0.00 1.70 4.81 -0.59 0.18 118.16 128.70 1wfi n LYS 50 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1wfi n LYS 50 Cb 0.48 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.16 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 1.80 3.83 3.14 0.00 -1.26 -4.98 105.19 109.27 1wfi n GLY 51 Ca 0.19 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 1.91 0.14 1.61 -1.52 0.48 -5.01 119.66 117.28 1wfi s GLN 52 Ca 0.00 0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 53.49 1wfi s GLN 52 Cb 0.00 -1.92 -0.07 0.00 -0.22 0.00 0.00 33.01 30.80 1wfi s GLN 52 CO 0.00 -1.69 1.13 -1.25 -0.25 0.00 0.00 175.29 173.24 1wfi s PRO 53 N -5.33 4.54 -0.18 2.91 0.04 -1.26 -4.49 135.00 131.23 1wfi s PRO 53 Ca 0.61 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 1wfi s PRO 53 Cb -0.13 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1wfi s PRO 53 CO 0.52 -0.03 1.28 -1.25 0.04 0.00 0.00 177.00 177.57 1wfi s PRO 54 N 0.03 4.18 0.37 0.56 0.04 -1.26 -4.51 135.00 134.42 1wfi s PRO 54 Ca 0.52 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.28 1wfi s PRO 54 Cb -0.30 -3.79 0.73 0.00 0.04 0.00 0.00 34.50 31.19 1wfi s PRO 54 CO 0.34 -0.77 1.88 0.28 0.04 0.00 0.00 177.00 178.76 1wfi h VAL 55 N 5.56 1.20 -4.47 -0.36 2.07 -1.53 -3.42 116.25 115.31 1wfi h VAL 55 Ca -0.27 -0.93 -0.70 0.00 0.82 0.00 0.00 66.70 65.63 1wfi h VAL 55 Cb 1.11 1.32 -0.30 0.00 -1.52 0.00 0.00 31.29 31.89 1wfi h VAL 55 CO 0.98 0.28 -0.88 -0.69 0.02 0.00 0.00 177.57 177.28 1wfi s VAL 56 N -4.60 2.10 0.00 2.57 1.01 -1.15 -4.86 120.40 115.48 1wfi s VAL 56 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1wfi s VAL 56 Cb 0.15 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1wfi s VAL 56 CO 0.74 0.58 0.00 -0.67 0.00 0.00 0.00 175.10 175.75 1wfi n ASP 57 N 2.53 0.00 -4.73 3.32 2.03 -0.42 -0.85 116.55 118.44 1wfi n ASP 57 Ca -0.16 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.92 1wfi n ASP 57 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 1wfi n ASP 57 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1wfi s GLY 58 N 0.00 1.92 -0.50 0.27 0.00 -1.22 -4.01 107.32 103.78 1wfi s GLY 58 Ca 0.00 -1.81 -0.28 0.00 0.00 0.00 0.00 44.72 42.63 1wfi s GLY 58 CO 0.00 -1.75 1.60 1.85 0.00 0.00 0.00 173.10 174.79 1wfi s GLU 59 N -3.83 3.20 0.94 2.90 2.12 -1.26 -3.08 118.70 119.69 1wfi s GLU 59 Ca 0.37 0.77 -0.16 0.00 0.36 0.00 0.00 54.97 56.31 1wfi s GLU 59 Cb -0.03 -4.18 -0.10 0.00 0.26 0.00 0.00 34.13 30.08 1wfi s GLU 59 CO 0.22 -2.04 -0.39 1.28 -0.54 0.00 0.00 175.26 173.79 1wfi n LEU 60 N 10.32 -4.09 -0.25 2.70 4.77 -1.25 -0.82 117.00 128.39 1wfi n LEU 60 Ca 0.17 0.27 0.24 0.00 -0.03 0.00 0.00 56.01 56.66 1wfi n LEU 60 Cb 0.49 -0.90 0.60 0.00 -2.33 0.00 0.00 43.42 41.28 1wfi n LEU 60 CO 0.70 -5.22 1.24 0.22 -1.33 0.00 0.00 177.39 173.00 1wfi h TYR 61 N -1.04 0.36 -1.99 -1.77 5.03 -1.69 -3.41 116.97 112.45 1wfi h TYR 61 Ca -0.44 0.01 0.25 0.00 2.58 0.00 0.00 58.73 61.14 1wfi h TYR 61 Cb 1.31 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.43 1wfi h TYR 61 CO 0.26 0.07 0.68 -1.71 -1.32 0.00 0.00 178.16 176.14 1wfi n ASN 62 N -4.43 -0.99 -4.62 -2.11 5.15 -1.26 -4.99 115.26 102.00 1wfi n ASN 62 Ca 0.21 -1.26 -0.40 0.00 -0.60 0.00 0.00 54.58 52.53 1wfi n ASN 62 Cb 0.86 1.55 0.03 0.00 -0.53 0.00 0.00 39.78 41.69 1wfi n ASN 62 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wfi n GLU 63 N -0.70 1.27 -3.74 1.20 1.02 -1.26 -4.59 120.64 113.83 1wfi n GLU 63 Ca 0.03 0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1wfi n GLU 63 Cb 0.45 -2.13 -0.12 0.00 -0.02 0.00 0.00 31.44 29.62 1wfi n GLU 63 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wfi s VAL 64 N -1.36 -0.02 -0.42 2.62 -7.23 0.15 -3.59 120.40 110.55 1wfi s VAL 64 Ca 0.67 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.62 1wfi s VAL 64 Cb -0.50 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 1wfi s VAL 64 CO 0.54 0.03 2.33 1.17 -0.31 0.00 0.00 175.10 178.86 1wfi n LYS 65 N 3.66 1.22 0.07 4.82 4.81 0.31 -4.32 118.16 128.72 1wfi n LYS 65 Ca -0.20 0.22 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 1wfi n LYS 65 Cb 0.56 -2.97 -0.07 0.00 0.02 0.00 0.00 35.03 32.57 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 7.43 1.39 -0.50 3.15 -1.51 -1.85 -2.93 116.25 121.42 1wfi h VAL 66 Ca -0.28 -2.49 0.02 0.00 -1.23 0.00 0.00 66.70 62.72 1wfi h VAL 66 Cb 1.28 2.49 -0.03 0.00 -2.13 0.00 0.00 31.29 32.89 1wfi h VAL 66 CO 1.09 0.74 0.31 -0.33 -1.23 0.00 0.00 177.57 178.16 1wfi h GLU 67 N 0.24 0.61 0.00 5.19 5.08 -1.90 0.81 114.58 124.60 1wfi h GLU 67 Ca -0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wfi h GLU 67 Cb 1.66 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1wfi h GLU 67 CO 0.18 0.40 0.00 0.39 -1.00 0.00 0.00 179.01 178.98 1wfi n GLU 68 N -4.78 0.96 -1.79 2.33 1.02 -1.22 -4.83 120.64 112.33 1wfi n GLU 68 Ca 0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 1wfi n GLU 68 Cb 0.06 -1.31 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1wfi n GLU 68 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wfi s SER 69 N -1.63 5.57 -0.28 1.62 1.04 0.28 -4.77 113.70 115.52 1wfi s SER 69 Ca 0.28 1.33 -0.21 0.00 0.48 0.00 0.00 55.95 57.83 1wfi s SER 69 Cb 0.13 -2.21 0.13 0.00 0.10 0.00 0.00 66.02 64.17 1wfi s SER 69 CO 0.22 -1.28 0.98 -0.94 0.98 0.00 0.00 173.24 173.20 1wfi s SER 70 N -4.15 -0.51 0.16 7.02 1.04 -1.09 -5.02 113.70 111.15 1wfi s SER 70 Ca 0.57 0.89 0.04 0.00 0.48 0.00 0.00 55.95 57.94 1wfi s SER 70 Cb -0.12 1.05 -0.05 0.00 0.10 0.00 0.00 66.02 67.01 1wfi s SER 70 CO 0.53 -0.15 -0.08 -1.66 0.98 0.00 0.00 173.24 172.86 1wfi s TRP 71 N 0.78 1.34 0.25 5.02 1.48 -1.26 -0.71 118.94 125.83 1wfi s TRP 71 Ca -0.03 -0.78 -0.18 0.00 -1.06 0.00 0.00 56.10 54.05 1wfi s TRP 71 Cb -0.04 -0.70 0.01 0.00 -1.16 0.00 0.00 33.47 31.58 1wfi s TRP 71 CO -0.11 0.07 0.60 -0.48 -4.06 0.00 0.00 176.95 172.98 1wfi s LEU 72 N -3.20 -0.02 -0.30 -4.66 0.05 -0.89 -5.01 118.68 104.65 1wfi s LEU 72 Ca 0.19 -0.68 -0.06 0.00 0.05 0.00 0.00 54.13 53.64 1wfi s LEU 72 Cb 0.03 2.31 0.02 0.00 -2.05 0.00 0.00 46.19 46.50 1wfi s LEU 72 CO 0.02 -1.22 0.07 -0.63 -0.55 0.00 0.00 176.35 174.04 1wfi s ILE 73 N -3.94 3.74 0.28 1.48 1.01 -1.26 -0.80 121.20 121.71 1wfi s ILE 73 Ca 0.14 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 1wfi s ILE 73 Cb -0.03 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 1wfi s ILE 73 CO 0.05 0.00 0.81 -1.61 0.00 0.00 0.00 174.94 174.19 1wfi s GLU 74 N 1.44 4.32 -0.32 2.79 0.41 0.47 -3.64 118.70 124.17 1wfi s GLU 74 Ca 0.01 1.00 -0.00 0.00 -0.41 0.00 0.00 54.97 55.57 1wfi s GLU 74 Cb -0.18 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1wfi s GLU 74 CO 0.02 0.31 0.01 -0.25 -0.49 0.00 0.00 175.26 174.85 1wfi n ASP 75 N 0.46 -1.84 -4.00 -0.19 9.92 -1.26 0.71 116.55 120.35 1wfi n ASP 75 Ca 0.00 0.40 -0.33 0.00 -0.53 0.00 0.00 54.79 54.33 1wfi n ASP 75 Cb 0.51 -1.67 -0.03 0.00 -0.64 0.00 0.00 41.12 39.29 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 -0.59 -0.45 2.01 0.44 0.00 -1.24 -4.52 105.19 100.83 1wfi n GLY 76 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.03 0.00 -2.69 1.61 2.85 0.22 -0.29 118.16 115.82 1wfi n LYS 77 Ca 0.07 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.97 1wfi n LYS 77 Cb 0.49 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.81 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 -2.00 4.06 -0.23 0.58 1.01 0.15 -3.49 120.40 120.47 1wfi s VAL 78 Ca 0.00 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1wfi s VAL 78 Cb 0.00 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1wfi s VAL 78 CO 0.00 -0.01 -0.12 -0.69 0.00 0.00 0.00 175.10 174.28 1wfi s VAL 79 N -1.76 2.40 0.12 2.92 1.01 0.22 0.18 120.40 125.48 1wfi s VAL 79 Ca 0.56 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1wfi s VAL 79 Cb -0.18 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1wfi s VAL 79 CO 0.23 0.23 0.16 0.42 0.00 0.00 0.00 175.10 176.13 1wfi s THR 80 N 1.24 4.81 0.01 3.92 -4.23 0.02 0.12 115.64 121.54 1wfi s THR 80 Ca -0.01 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1wfi s THR 80 Cb -0.17 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1wfi s THR 80 CO -0.07 0.01 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.28 1wfi s VAL 81 N -1.59 0.33 -0.31 2.29 1.01 0.15 -2.09 120.40 120.20 1wfi s VAL 81 Ca 0.32 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1wfi s VAL 81 Cb -0.11 -0.34 0.09 0.00 0.00 0.00 0.00 36.38 36.01 1wfi s VAL 81 CO 0.25 -0.11 0.05 -2.28 0.00 0.00 0.00 175.10 173.01 1wfi s HIS 82 N -0.58 2.71 0.05 5.22 5.04 0.12 -0.71 115.29 127.13 1wfi s HIS 82 Ca -0.04 -2.28 -0.11 0.00 -1.54 0.00 0.00 55.06 51.09 1wfi s HIS 82 Cb -0.05 -2.21 -0.06 0.00 0.04 0.00 0.00 32.58 30.31 1wfi s HIS 82 CO -0.00 -0.89 0.40 -0.51 -2.34 0.00 0.00 174.74 171.40 1wfi s LEU 83 N 1.27 4.39 -0.18 8.88 2.01 0.34 -2.67 118.68 132.72 1wfi s LEU 83 Ca 0.07 0.85 -0.01 0.00 0.01 0.00 0.00 54.13 55.05 1wfi s LEU 83 Cb -0.18 -2.83 -0.00 0.00 0.01 0.00 0.00 46.19 43.19 1wfi s LEU 83 CO -0.14 0.23 -0.12 -0.70 1.01 0.00 0.00 176.35 176.63 1wfi s GLU 84 N -1.61 3.25 0.26 1.70 2.56 -1.25 0.59 118.70 124.20 1wfi s GLU 84 Ca 0.29 -0.71 -0.29 0.00 0.00 0.00 0.00 54.97 54.26 1wfi s GLU 84 Cb -0.15 -2.76 -0.09 0.00 2.00 0.00 0.00 34.13 33.13 1wfi s GLU 84 CO 0.16 -0.08 1.22 0.15 -0.56 0.00 0.00 175.26 176.15 1wfi s LYS 85 N 1.10 4.48 0.04 4.30 1.02 -1.12 0.11 119.74 129.67 1wfi s LYS 85 Ca 0.00 1.98 -0.24 0.00 0.02 0.00 0.00 55.97 57.74 1wfi s LYS 85 Cb -0.14 -3.17 -0.17 0.00 -0.52 0.00 0.00 37.83 33.83 1wfi s LYS 85 CO -0.03 -0.05 1.53 0.82 -0.92 0.00 0.00 175.35 176.70 1wfi h ILE 86 N 3.35 1.18 0.05 2.17 1.08 -1.90 -3.24 117.51 120.19 1wfi h ILE 86 Ca -0.46 -0.53 -0.31 0.00 -0.39 0.00 0.00 64.86 63.17 1wfi h ILE 86 Cb 1.22 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 36.43 1wfi h ILE 86 CO 0.70 0.14 -1.72 0.78 -0.69 0.00 0.00 178.15 177.36 1wfi h ASN 87 N -0.18 0.15 -6.62 1.72 2.35 -1.92 -3.49 115.58 107.59 1wfi h ASN 87 Ca 0.01 -0.31 -0.52 0.00 -0.55 0.00 0.00 56.30 54.93 1wfi h ASN 87 Cb 0.22 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 38.58 1wfi h ASN 87 CO -0.00 1.27 -0.98 2.29 -1.65 0.00 0.00 177.43 178.36 1wfi n LYS 88 N -3.22 -0.68 -0.71 0.81 2.85 -1.22 -4.85 118.16 111.14 1wfi n LYS 88 Ca -0.20 0.25 -0.02 0.00 -1.05 0.00 0.00 58.31 57.30 1wfi n LYS 88 Cb 1.04 -3.23 -0.02 0.00 -0.65 0.00 0.00 35.03 32.18 1wfi n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wfi n MET 89 N -4.64 0.00 -3.66 -1.58 0.00 -1.23 -4.66 117.12 101.35 1wfi n MET 89 Ca -0.10 -0.54 -0.07 0.00 0.00 0.00 0.00 57.70 56.99 1wfi n MET 89 Cb 0.58 0.10 -0.08 0.00 0.00 0.00 0.00 33.22 33.81 1wfi n MET 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1wfi s GLU 90 N 0.00 0.48 0.37 3.17 2.12 -1.26 -5.10 118.70 118.48 1wfi s GLU 90 Ca 0.02 1.11 -0.26 0.00 0.36 0.00 0.00 54.97 56.20 1wfi s GLU 90 Cb 0.02 0.32 -0.09 0.00 0.26 0.00 0.00 34.13 34.65 1wfi s GLU 90 CO -0.01 -0.20 1.19 -0.46 -0.54 0.00 0.00 175.26 175.25 1wfi s TRP 91 N 2.17 3.12 0.29 5.30 -0.11 -1.26 -4.85 118.94 123.59 1wfi s TRP 91 Ca -0.06 1.54 -0.07 0.00 1.22 0.00 0.00 56.10 58.73 1wfi s TRP 91 Cb -0.10 -3.45 -0.06 0.00 -1.50 0.00 0.00 33.47 28.37 1wfi s TRP 91 CO -0.16 -1.36 0.58 -1.58 -4.62 0.00 0.00 176.95 169.81 1wfi s TRP 92 N -1.32 3.46 -0.07 5.86 0.52 -1.26 -4.99 118.94 121.14 1wfi s TRP 92 Ca 0.54 0.75 0.09 0.00 0.02 0.00 0.00 56.10 57.50 1wfi s TRP 92 Cb -0.33 -2.19 0.14 0.00 -1.15 0.00 0.00 33.47 29.95 1wfi s TRP 92 CO 0.42 0.17 1.08 -1.71 0.02 0.00 0.00 176.95 176.92 1wfi n ASN 93 N -0.76 2.20 -3.41 2.95 5.15 -1.26 -4.98 115.26 115.15 1wfi n ASN 93 Ca -0.01 -2.51 0.03 0.00 -0.60 0.00 0.00 54.58 51.50 1wfi n ASN 93 Cb 0.53 -0.21 -0.05 0.00 -0.53 0.00 0.00 39.78 39.53 1wfi n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfi s ARG 94 N -1.88 0.06 0.16 1.20 1.04 -1.26 -5.04 118.95 113.24 1wfi s ARG 94 Ca 0.15 0.12 -0.17 0.00 -1.04 0.00 0.00 55.73 54.79 1wfi s ARG 94 Cb 0.13 0.05 0.09 0.00 -2.04 0.00 0.00 34.95 33.18 1wfi s ARG 94 CO 0.02 -0.02 1.67 1.25 -0.04 0.00 0.00 175.30 178.18 1wfi h LEU 95 N 6.20 -0.38 -9.84 -1.89 7.12 -1.96 -3.39 115.31 111.18 1wfi h LEU 95 Ca -0.19 0.12 -0.65 0.00 0.13 0.00 0.00 57.88 57.28 1wfi h LEU 95 Cb 1.14 0.25 -0.13 0.00 -0.53 0.00 0.00 40.66 41.39 1wfi h LEU 95 CO 0.14 -0.13 -0.56 0.68 -0.13 0.00 0.00 178.44 178.44 1wfi s VAL 96 N -6.21 1.56 -0.03 1.05 -7.23 -1.26 -2.66 120.40 105.63 1wfi s VAL 96 Ca -0.14 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.05 1wfi s VAL 96 Cb 0.14 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1wfi s VAL 96 CO 0.71 0.00 0.01 0.35 -0.31 0.00 0.00 175.10 175.85 1wfi n THR 97 N -1.11 0.17 -0.14 5.32 -2.24 0.00 -4.68 114.28 111.60 1wfi n THR 97 Ca -0.12 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1wfi n THR 97 Cb 0.67 -0.91 0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1wfi n THR 97 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfi n SER 98 N -2.13 2.08 -1.02 3.42 7.64 -1.26 -4.99 113.62 117.36 1wfi n SER 98 Ca -0.04 -2.14 0.11 0.00 1.01 0.00 0.00 58.87 57.81 1wfi n SER 98 Cb 0.58 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 1wfi n SER 98 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wfi n ASP 99 N -0.59 -5.18 0.00 6.43 5.75 -1.26 -4.77 116.55 116.94 1wfi n ASP 99 Ca 0.02 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1wfi n ASP 99 Cb 0.31 -3.26 0.00 0.00 -1.03 0.00 0.00 41.12 37.13 1wfi n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1wfi n PRO 100 N -3.21 0.00 0.02 0.11 -0.04 -1.26 -3.86 135.00 126.76 1wfi n PRO 100 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1wfi n PRO 100 Cb 0.61 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.50 0.00 -4.13 0.54 1.02 -1.26 -4.71 120.64 111.60 1wfi n GLU 101 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1wfi n GLU 101 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 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 -2.00 3.51 0.12 -3.67 1.01 -1.26 -4.98 121.20 113.93 1wfi s ILE 102 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1wfi s ILE 102 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1wfi s ILE 102 CO 0.00 -0.28 0.00 -3.20 0.00 0.00 0.00 174.94 171.46 1wfi n ASN 103 N -1.10 -1.08 -0.06 3.58 2.85 -1.26 -5.06 115.26 113.13 1wfi n ASN 103 Ca -0.05 0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1wfi n ASN 103 Cb 0.60 1.27 0.00 0.00 1.24 0.00 0.00 39.78 42.88 1wfi n ASN 103 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1wfi n THR 104 N -2.85 0.00 -1.84 -0.44 -2.24 -1.26 -3.13 114.28 102.52 1wfi n THR 104 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1wfi n THR 104 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1wfi n THR 104 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1wfi n LYS 105 N -0.12 2.80 -3.63 -0.78 2.85 -1.26 -4.84 118.16 113.18 1wfi n LYS 105 Ca 0.00 -3.27 -0.18 0.00 -1.05 0.00 0.00 58.31 53.81 1wfi n LYS 105 Cb 0.00 -2.25 -0.15 0.00 -0.65 0.00 0.00 35.03 31.97 1wfi n LYS 105 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1wfi s LYS 106 N -3.44 0.06 -0.05 -1.58 2.20 -1.18 -4.93 119.74 110.82 1wfi s LYS 106 Ca 0.53 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1wfi s LYS 106 Cb 0.41 -0.63 -0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1wfi s LYS 106 CO -0.35 -0.41 -0.02 0.82 -0.36 0.00 0.00 175.35 175.03 1wfi h ILE 107 N 6.37 0.00 -1.50 5.43 2.04 -1.83 -3.47 117.51 124.55 1wfi h ILE 107 Ca -0.14 -0.44 0.15 0.00 1.00 0.00 0.00 64.86 65.43 1wfi h ILE 107 Cb 1.13 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 36.98 1wfi h ILE 107 CO 0.18 0.00 0.69 0.21 0.00 0.00 0.00 178.15 179.23 1wfi s ASN 108 N -4.20 -0.25 0.09 1.72 2.47 -1.26 -3.97 114.94 109.54 1wfi s ASN 108 Ca -0.01 0.20 -0.13 0.00 0.42 0.00 0.00 52.86 53.35 1wfi s ASN 108 Cb 0.00 0.22 -0.19 0.00 -1.45 0.00 0.00 41.25 39.83 1wfi s ASN 108 CO 0.02 -0.28 1.24 1.55 -3.72 0.00 0.00 177.10 175.91 1wfi h PRO 109 N 2.28 0.72 -4.64 0.43 0.13 -2.01 -3.50 132.00 125.42 1wfi h PRO 109 Ca -0.15 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1wfi h PRO 109 Cb 1.18 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1wfi h PRO 109 CO 0.27 1.29 -0.89 -1.91 -0.23 0.00 0.00 178.00 176.53 1wfi n GLU 110 N -3.88 -4.76 -3.34 0.86 2.13 -1.26 -5.03 120.64 105.36 1wfi n GLU 110 Ca -0.09 3.43 -0.13 0.00 0.66 0.00 0.00 57.16 61.03 1wfi n GLU 110 Cb 0.83 -4.30 -0.07 0.00 0.27 0.00 0.00 31.44 28.17 1wfi n GLU 110 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wfi s ASN 111 N -0.54 0.87 0.19 4.31 2.20 -1.26 -5.14 114.94 115.57 1wfi s ASN 111 Ca 0.00 -0.88 -0.24 0.00 -0.94 0.00 0.00 52.86 50.80 1wfi s ASN 111 Cb 0.00 0.82 0.05 0.00 -2.00 0.00 0.00 41.25 40.13 1wfi s ASN 111 CO 0.00 -0.32 0.87 -0.55 -2.94 0.00 0.00 177.10 174.16 1wfi s SER 112 N 2.11 -0.22 0.59 3.54 0.15 -1.26 -5.18 113.70 113.43 1wfi s SER 112 Ca 0.12 -0.45 0.10 0.00 0.70 0.00 0.00 55.95 56.42 1wfi s SER 112 Cb -0.13 0.56 0.09 0.00 -1.71 0.00 0.00 66.02 64.83 1wfi s SER 112 CO -0.21 -1.04 0.79 -0.54 1.20 0.00 0.00 173.24 173.44 1wfi s LYS 113 N -3.49 2.25 -0.19 5.44 1.02 -1.26 -5.12 119.74 118.39 1wfi s LYS 113 Ca 0.11 -1.71 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 1wfi s LYS 113 Cb -0.03 -2.60 0.08 0.00 -0.52 0.00 0.00 37.83 34.76 1wfi s LYS 113 CO 0.03 -0.91 0.15 -1.17 -0.92 0.00 0.00 175.35 172.54 1wfi s LEU 114 N -4.67 0.13 -0.68 3.17 2.96 -1.26 -5.07 118.68 113.26 1wfi s LEU 114 Ca 0.61 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1wfi s LEU 114 Cb -0.05 0.05 0.19 0.00 0.50 0.00 0.00 46.19 46.89 1wfi s LEU 114 CO 0.38 -0.34 0.57 -1.20 -1.32 0.00 0.00 176.35 174.44 1wfi n SER 115 N 5.30 3.20 -3.71 3.68 7.64 -1.26 -4.98 113.62 123.49 1wfi n SER 115 Ca -0.06 -3.27 -0.30 0.00 1.01 0.00 0.00 58.87 56.25 1wfi n SER 115 Cb 0.49 -0.73 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 1wfi n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfi s ASP 116 N -1.76 3.67 0.45 6.43 -1.08 -1.26 -5.11 116.67 118.01 1wfi s ASP 116 Ca 0.30 -2.56 0.07 0.00 -0.52 0.00 0.00 52.55 49.84 1wfi s ASP 116 Cb 0.02 -1.02 -0.01 0.00 -1.46 0.00 0.00 42.92 40.45 1wfi s ASP 116 CO -0.12 -0.28 0.39 -0.76 0.52 0.00 0.00 175.17 174.92 1wfi s LEU 117 N 0.44 3.21 0.03 -1.34 1.43 -1.26 -5.14 118.68 116.05 1wfi s LEU 117 Ca 0.17 -0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 1wfi s LEU 117 Cb -0.24 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.28 1wfi s LEU 117 CO -0.01 -0.77 1.09 -0.62 0.23 0.00 0.00 176.35 176.27 1wfi s ASP 118 N -4.17 -0.16 -0.31 2.29 2.15 -1.26 -5.14 116.67 110.06 1wfi s ASP 118 Ca 0.45 -0.20 -0.04 0.00 0.43 0.00 0.00 52.55 53.19 1wfi s ASP 118 Cb -0.02 0.32 0.19 0.00 -0.30 0.00 0.00 42.92 43.10 1wfi s ASP 118 CO 0.27 -0.57 0.88 -0.44 -0.17 0.00 0.00 175.17 175.13 1wfi s SER 119 N -2.78 -0.85 -0.33 -0.34 0.01 -1.26 -5.12 113.70 103.03 1wfi s SER 119 Ca 0.11 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1wfi s SER 119 Cb 0.01 1.40 0.10 0.00 0.21 0.00 0.00 66.02 67.74 1wfi s SER 119 CO -0.02 -0.14 0.07 -0.70 0.41 0.00 0.00 173.24 172.86 1wfi s GLU 120 N 2.62 1.19 0.26 12.44 2.12 -1.26 -5.10 118.70 130.96 1wfi s GLU 120 Ca 0.19 -1.58 0.06 0.00 0.36 0.00 0.00 54.97 54.01 1wfi s GLU 120 Cb -0.03 -2.73 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 1wfi s GLU 120 CO -0.20 -0.96 -0.06 -0.08 -0.54 0.00 0.00 175.26 173.42 1wfi s THR 121 N 1.16 1.50 0.00 -1.70 -1.32 -1.26 -5.15 115.64 108.87 1wfi s THR 121 Ca 0.11 -2.11 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 1wfi s THR 121 Cb -0.18 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1wfi s THR 121 CO -0.15 -0.35 0.00 0.54 -2.21 0.00 0.00 174.62 172.46 1wfi n ARG 122 N -0.51 0.00 -3.61 7.08 5.12 -1.26 -5.19 116.66 118.28 1wfi n ARG 122 Ca -0.06 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.86 1wfi n ARG 122 Cb 0.63 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.92 1wfi n ARG 122 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wfi s SER 123 N 0.00 -0.09 -0.29 0.55 1.04 -1.26 -5.18 113.70 108.48 1wfi s SER 123 Ca 0.00 -0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.15 1wfi s SER 123 Cb 0.00 0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.42 1wfi s SER 123 CO 0.00 -0.29 1.00 -0.32 0.98 0.00 0.00 173.24 174.61 1wfi s MET 124 N -2.44 0.41 0.00 4.02 0.00 -1.26 -5.17 119.30 114.85 1wfi s MET 124 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 55.69 56.44 1wfi s MET 124 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 34.83 34.98 1wfi s MET 124 CO -0.04 -0.07 0.00 1.55 0.00 0.00 0.00 175.02 176.46 1wfi n VAL 125 N 3.23 0.00 0.00 10.11 3.14 -1.26 -5.18 118.33 128.38 1wfi n VAL 125 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1wfi n VAL 125 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1wfi n VAL 125 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1wfi n SER 126 N 0.00 0.00 -4.38 6.55 7.64 -1.26 -5.13 113.62 117.04 1wfi n SER 126 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wfi n SER 126 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1wfi n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfi s GLY 127 N 0.00 1.98 0.98 0.23 0.00 -1.26 -5.08 107.32 104.17 1wfi s GLY 127 Ca 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 44.72 42.69 1wfi s GLY 127 CO 0.00 0.92 1.08 -1.55 0.00 0.00 0.00 173.10 173.56 1wfi n PRO 128 N 5.07 -2.03 -3.82 2.90 -0.04 -1.26 -5.10 135.00 130.71 1wfi n PRO 128 Ca -0.11 -1.70 -0.10 0.00 -0.04 0.00 0.00 63.50 61.55 1wfi n PRO 128 Cb 0.45 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.74 -0.14 0.00 3.54 0.15 -1.26 -5.18 113.70 106.07 1wfi s SER 129 Ca 0.65 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1wfi s SER 129 Cb -0.04 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1wfi s SER 129 CO 0.48 -0.99 0.00 -1.20 1.20 0.00 0.00 173.24 172.73 1wfi n SER 130 N -0.29 0.00 0.00 5.45 7.64 -1.26 -5.36 113.62 119.80 1wfi n SER 130 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1wfi n SER 130 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1wfi n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64