#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9q s ARG 5 N 0.00 1.11 0.33 1.96 1.04 -1.26 -5.14 118.95 117.00 3m9q s ARG 5 Ca 0.00 -0.66 -0.29 0.00 -1.04 0.00 0.00 55.73 53.74 3m9q s ARG 5 Cb 0.00 0.50 -0.12 0.00 -2.04 0.00 0.00 34.95 33.29 3m9q s ARG 5 CO 0.00 -0.45 1.49 -0.25 -0.04 0.00 0.00 175.30 176.05 3m9q n ASP 6 N -0.26 3.58 -4.84 -2.89 8.00 -1.26 -4.77 116.55 114.12 3m9q n ASP 6 Ca -0.16 1.19 -0.32 0.00 0.71 0.00 0.00 54.79 56.21 3m9q n ASP 6 Cb 0.64 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.11 3m9q n ASP 6 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3m9q s GLU 7 N -1.42 4.05 0.11 -1.24 2.12 -0.07 -4.94 118.70 117.31 3m9q s GLU 7 Ca 0.58 0.88 0.06 0.00 0.36 0.00 0.00 54.97 56.85 3m9q s GLU 7 Cb -0.51 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 3m9q s GLU 7 CO 0.58 -0.03 -0.04 0.95 -0.54 0.00 0.00 175.26 176.18 3m9q s THR 8 N -2.24 3.70 0.47 -1.70 -4.23 -1.26 -4.76 115.64 105.62 3m9q s THR 8 Ca 0.58 -1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 59.71 3m9q s THR 8 Cb -0.10 -2.76 -0.08 0.00 1.34 0.00 0.00 72.50 70.90 3m9q s THR 8 CO 0.20 0.09 1.07 -2.16 -0.54 0.00 0.00 174.62 173.28 3m9q s PRO 9 N -2.34 3.83 -0.00 3.99 0.04 -1.26 -4.95 135.00 134.32 3m9q s PRO 9 Ca 0.24 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.79 3m9q s PRO 9 Cb -0.11 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 3m9q s PRO 9 CO 0.16 -0.42 0.12 1.28 0.04 0.00 0.00 177.00 178.18 3m9q n LEU 10 N -0.72 0.12 -4.06 -3.56 4.77 -1.26 -5.04 117.00 107.25 3m9q n LEU 10 Ca 0.08 -0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 55.55 3m9q n LEU 10 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3m9q n LEU 10 CO 0.42 0.03 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.79 3m9q s PHE 11 N -1.41 0.48 0.32 -1.77 0.08 -1.26 -5.06 117.98 109.36 3m9q s PHE 11 Ca 0.01 -0.89 0.10 0.00 0.12 0.00 0.00 56.93 56.27 3m9q s PHE 11 Cb 0.02 -0.34 -0.06 0.00 -0.57 0.00 0.00 43.02 42.07 3m9q s PHE 11 CO 0.12 -0.30 -0.12 -3.38 -0.10 0.00 0.00 175.22 171.44 3m9q s HIS 12 N -3.13 2.33 0.21 0.36 -3.43 -1.26 -5.00 115.29 105.37 3m9q s HIS 12 Ca 0.00 -0.46 -0.32 0.00 -0.80 0.00 0.00 55.06 53.48 3m9q s HIS 12 Cb 0.02 -1.24 -0.12 0.00 -1.43 0.00 0.00 32.58 29.80 3m9q s HIS 12 CO -0.07 0.60 1.66 1.17 -2.00 0.00 0.00 174.74 176.11 3m9q n LYS 13 N -0.72 2.59 0.00 -0.38 4.81 -1.26 -1.71 118.16 121.49 3m9q n LYS 13 Ca -0.05 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3m9q n LYS 13 Cb 0.62 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.93 3m9q n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m9q n GLY 14 N 3.53 1.56 3.77 3.14 0.00 0.70 -5.01 105.19 112.88 3m9q n GLY 14 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3m9q n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m9q s GLU 15 N -0.48 4.26 -0.19 1.61 2.12 -0.69 -4.60 118.70 120.72 3m9q s GLU 15 Ca 0.00 2.35 -0.23 0.00 0.36 0.00 0.00 54.97 57.46 3m9q s GLU 15 Cb 0.00 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 3m9q s GLU 15 CO 0.00 -0.35 0.71 0.42 -0.54 0.00 0.00 175.26 175.51 3m9q s ILE 16 N -0.92 4.96 0.35 -3.70 -1.09 -1.26 -1.00 121.20 118.53 3m9q s ILE 16 Ca 0.52 1.36 0.05 0.00 -2.23 0.00 0.00 60.65 60.35 3m9q s ILE 16 Cb -0.42 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.41 3m9q s ILE 16 CO 0.54 0.07 0.19 0.68 -1.23 0.00 0.00 174.94 175.20 3m9q s VAL 17 N 2.04 0.30 -0.07 2.92 -7.23 0.28 -4.18 120.40 114.45 3m9q s VAL 17 Ca 0.32 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3m9q s VAL 17 Cb -0.16 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 3m9q s VAL 17 CO 0.11 0.00 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.01 3m9q s LEU 18 N -3.46 2.78 -0.06 1.32 1.43 -0.16 -0.32 118.68 120.22 3m9q s LEU 18 Ca 0.33 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3m9q s LEU 18 Cb 0.03 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3m9q s LEU 18 CO 0.20 0.30 -0.11 0.00 0.23 0.00 0.00 176.35 176.97 3m9q s TYR 20 N 0.66 2.71 0.07 0.00 2.02 -0.39 -0.51 117.35 121.91 3m9q s TYR 20 Ca -0.13 1.41 -0.34 0.00 -0.37 0.00 0.00 57.07 57.64 3m9q s TYR 20 Cb -0.15 -3.67 -0.13 0.00 -0.40 0.00 0.00 41.96 37.61 3m9q s TYR 20 CO 0.03 -2.21 1.69 -1.91 -1.57 0.00 0.00 175.55 171.58 3m9q n GLU 21 N -0.18 2.18 0.23 -0.62 4.07 -0.25 -4.88 120.64 121.18 3m9q n GLU 21 Ca 0.05 0.79 0.13 0.00 -0.06 0.00 0.00 57.16 58.07 3m9q n GLU 21 Cb 0.44 -2.59 0.36 0.00 -0.06 0.00 0.00 31.44 29.59 3m9q n GLU 21 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3m9q h PRO 22 N 7.18 0.00 -5.98 5.31 0.13 -1.92 -3.42 132.00 133.29 3m9q h PRO 22 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 3m9q h PRO 22 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 3m9q h PRO 22 CO 0.91 0.08 0.54 0.34 -0.23 0.00 0.00 178.00 179.64 3m9q s ASP 23 N -6.06 6.42 0.00 1.44 3.68 -1.26 -4.88 116.67 116.00 3m9q s ASP 23 Ca 0.04 -0.11 0.22 0.00 2.13 0.00 0.00 52.55 54.83 3m9q s ASP 23 Cb 0.07 -2.44 1.13 0.00 -1.45 0.00 0.00 42.92 40.23 3m9q s ASP 23 CO 0.63 -1.11 1.72 0.29 0.13 0.00 0.00 175.17 176.84 3m9q n LYS 24 N 7.23 0.32 0.00 4.34 5.02 -1.26 -1.21 118.16 132.60 3m9q n LYS 24 Ca 0.04 0.07 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 3m9q n LYS 24 Cb 0.48 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.14 3m9q n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3m9q n SER 25 N -1.28 2.42 -4.89 4.39 3.41 -1.26 -4.90 113.62 111.51 3m9q n SER 25 Ca 0.11 -1.74 -0.20 0.00 -0.26 0.00 0.00 58.87 56.78 3m9q n SER 25 Cb 0.18 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3m9q n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3m9q s LYS 26 N -2.15 2.56 0.24 4.33 1.02 -0.35 -5.07 119.74 120.31 3m9q s LYS 26 Ca 0.27 -1.51 -0.31 0.00 0.02 0.00 0.00 55.97 54.43 3m9q s LYS 26 Cb 0.20 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.98 3m9q s LYS 26 CO 0.39 -0.21 1.67 0.00 -0.92 0.00 0.00 175.35 176.28 3m9q n ALA 27 N -1.58 2.66 -2.00 5.17 0.00 -1.26 -4.88 120.51 118.61 3m9q n ALA 27 Ca 0.04 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 3m9q n ALA 27 Cb 0.62 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 3m9q n ALA 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3m9q s ARG 28 N 0.46 3.22 0.13 0.00 3.52 -1.26 -4.86 118.95 120.16 3m9q s ARG 28 Ca 0.71 1.30 -0.03 0.00 -0.13 0.00 0.00 55.73 57.58 3m9q s ARG 28 Cb -0.51 -4.23 -0.03 0.00 -1.56 0.00 0.00 34.95 28.62 3m9q s ARG 28 CO 0.39 -2.00 0.10 0.14 -0.81 0.00 0.00 175.30 173.12 3m9q s VAL 29 N 7.27 0.11 -0.11 7.11 -7.23 -1.26 -4.72 120.40 121.56 3m9q s VAL 29 Ca 0.78 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 3m9q s VAL 29 Cb -0.21 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3m9q s VAL 29 CO 0.32 -0.48 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.71 3m9q s LEU 30 N -3.02 2.59 -0.15 1.32 1.43 -1.26 -1.09 118.68 118.50 3m9q s LEU 30 Ca 0.21 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3m9q s LEU 30 Cb 0.07 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3m9q s LEU 30 CO 0.00 0.19 0.00 -0.31 0.23 0.00 0.00 176.35 176.47 3m9q s TYR 31 N 0.17 3.13 0.08 0.29 2.02 0.33 -4.89 117.35 118.48 3m9q s TYR 31 Ca -0.09 -0.08 -0.31 0.00 -0.37 0.00 0.00 57.07 56.23 3m9q s TYR 31 Cb -0.15 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.37 3m9q s TYR 31 CO 0.05 0.13 1.51 0.99 -1.57 0.00 0.00 175.55 176.66 3m9q s THR 32 N 0.11 3.21 0.13 -0.71 2.01 -1.26 -1.08 115.64 118.05 3m9q s THR 32 Ca 0.02 0.75 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 3m9q s THR 32 Cb -0.13 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3m9q s THR 32 CO 0.02 0.02 0.08 -0.44 -0.69 0.00 0.00 174.62 173.61 3m9q s SER 33 N 1.75 0.29 -0.06 3.53 0.01 0.57 -1.01 113.70 118.78 3m9q s SER 33 Ca 0.68 -1.14 0.06 0.00 1.31 0.00 0.00 55.95 56.86 3m9q s SER 33 Cb -0.37 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 3m9q s SER 33 CO 0.30 -0.74 -0.23 -0.75 0.41 0.00 0.00 173.24 172.23 3m9q s LYS 34 N -4.02 2.40 -0.36 12.44 2.20 0.14 -0.56 119.74 131.97 3m9q s LYS 34 Ca 0.21 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 3m9q s LYS 34 Cb 0.07 -2.04 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 3m9q s LYS 34 CO 0.00 0.35 1.22 0.08 -0.36 0.00 0.00 175.35 176.65 3m9q s VAL 35 N -0.11 4.21 0.01 4.02 1.01 -0.17 -1.19 120.40 128.17 3m9q s VAL 35 Ca -0.04 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 3m9q s VAL 35 Cb -0.13 -4.34 -0.27 0.00 0.00 0.00 0.00 36.38 31.64 3m9q s VAL 35 CO 0.03 -0.65 0.88 -0.07 0.00 0.00 0.00 175.10 175.30 3m9q h LEU 36 N 10.97 0.35 -7.30 3.92 3.38 -0.60 0.20 115.31 126.23 3m9q h LEU 36 Ca -0.24 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.14 3m9q h LEU 36 Cb 1.08 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 41.50 3m9q h LEU 36 CO 1.06 1.40 -0.16 0.20 0.09 0.00 0.00 178.44 181.04 3m9q s ASN 37 N -6.93 -0.42 -0.20 -0.43 -0.87 -1.17 -4.74 114.94 100.18 3m9q s ASN 37 Ca -0.08 0.67 -0.05 0.00 -1.57 0.00 0.00 52.86 51.83 3m9q s ASN 37 Cb 0.07 0.72 -0.02 0.00 -0.02 0.00 0.00 41.25 42.00 3m9q s ASN 37 CO 0.85 -0.30 -0.01 -0.69 -2.57 0.00 0.00 177.10 174.39 3m9q s VAL 38 N -0.37 3.85 -0.25 1.60 1.01 -1.26 -1.06 120.40 123.93 3m9q s VAL 38 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3m9q s VAL 38 Cb -0.03 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 3m9q s VAL 38 CO 0.03 0.43 0.01 -0.36 0.00 0.00 0.00 175.10 175.21 3m9q s PHE 39 N 1.04 3.05 -0.18 5.22 0.08 0.67 -5.00 117.98 122.86 3m9q s PHE 39 Ca 0.02 -0.93 -0.22 0.00 0.12 0.00 0.00 56.93 55.91 3m9q s PHE 39 Cb -0.14 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 3m9q s PHE 39 CO 0.01 -0.54 0.69 -2.00 -0.10 0.00 0.00 175.22 173.28 3m9q s GLU 40 N 1.49 4.26 0.19 0.44 2.12 -1.26 -1.33 118.70 124.61 3m9q s GLU 40 Ca 0.04 0.75 0.09 0.00 0.36 0.00 0.00 54.97 56.22 3m9q s GLU 40 Cb -0.16 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 3m9q s GLU 40 CO -0.00 -0.24 -0.19 1.03 -0.54 0.00 0.00 175.26 175.32 3m9q s ARG 41 N 1.89 1.37 -0.12 4.30 1.81 0.64 -4.99 118.95 123.85 3m9q s ARG 41 Ca 0.32 -1.50 -0.02 0.00 -1.72 0.00 0.00 55.73 52.81 3m9q s ARG 41 Cb -0.16 -1.43 -0.03 0.00 -0.45 0.00 0.00 34.95 32.88 3m9q s ARG 41 CO 0.11 0.28 -0.06 0.50 -0.68 0.00 0.00 175.30 175.45 3m9q s ARG 42 N -3.01 3.32 0.60 3.54 3.52 -1.26 -0.99 118.95 124.67 3m9q s ARG 42 Ca 0.19 -0.56 0.08 0.00 -0.13 0.00 0.00 55.73 55.32 3m9q s ARG 42 Cb -0.05 -2.76 0.10 0.00 -1.56 0.00 0.00 34.95 30.68 3m9q s ARG 42 CO 0.08 0.38 0.83 0.27 -0.81 0.00 0.00 175.30 176.05 3m9q n ASN 43 N 3.10 2.02 0.28 -2.12 0.23 -0.31 -4.96 115.26 113.50 3m9q n ASN 43 Ca -0.18 -2.49 0.16 0.00 -0.53 0.00 0.00 54.58 51.55 3m9q n ASN 43 Cb 0.53 -0.46 0.75 0.00 -2.08 0.00 0.00 39.78 38.52 3m9q n ASN 43 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3m9q h GLU 44 N 0.00 0.00 -0.00 -3.83 4.81 -2.00 -0.57 114.58 112.98 3m9q h GLU 44 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3m9q h GLU 44 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3m9q h GLU 44 CO 0.38 0.05 -0.00 0.72 -0.73 0.00 0.00 179.01 179.44 3m9q n HIS 45 N -3.23 0.00 -0.93 0.92 8.25 -1.26 -4.86 115.22 114.11 3m9q n HIS 45 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3m9q n HIS 45 Cb 0.27 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3m9q n HIS 45 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m9q n GLY 46 N 1.04 0.68 3.92 -1.41 0.00 -0.22 -5.04 105.19 104.15 3m9q n GLY 46 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 3m9q n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m9q s LEU 47 N 0.00 3.97 0.25 0.99 1.43 -1.26 -4.76 118.68 119.30 3m9q s LEU 47 Ca 0.00 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 3m9q s LEU 47 Cb 0.00 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 3m9q s LEU 47 CO 0.00 -0.30 0.96 -0.13 0.23 0.00 0.00 176.35 177.11 3m9q s ARG 48 N -4.00 4.82 0.08 1.70 0.52 -1.26 -1.16 118.95 119.64 3m9q s ARG 48 Ca 0.43 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 57.16 3m9q s ARG 48 Cb -0.10 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3m9q s ARG 48 CO 0.34 0.47 -0.04 -0.59 0.02 0.00 0.00 175.30 175.50 3m9q s PHE 49 N -1.21 0.70 -0.04 -0.53 -0.12 -0.16 -0.89 117.98 115.73 3m9q s PHE 49 Ca 0.42 -1.01 0.06 0.00 -0.05 0.00 0.00 56.93 56.35 3m9q s PHE 49 Cb -0.26 -0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 41.65 3m9q s PHE 49 CO 0.32 -0.28 -0.21 0.71 -0.05 0.00 0.00 175.22 175.71 3m9q s TYR 50 N -3.80 2.50 0.13 3.49 2.02 -1.26 -0.26 117.35 120.18 3m9q s TYR 50 Ca 0.10 -0.35 0.10 0.00 -0.37 0.00 0.00 57.07 56.55 3m9q s TYR 50 Cb 0.07 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 3m9q s TYR 50 CO -0.07 0.04 -0.23 -1.21 -1.57 0.00 0.00 175.55 172.51 3m9q s GLU 51 N -0.61 1.30 -0.11 -0.62 2.02 -0.44 -4.51 118.70 115.73 3m9q s GLU 51 Ca 0.09 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 53.78 3m9q s GLU 51 Cb -0.11 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.51 3m9q s GLU 51 CO 0.00 0.37 -0.12 0.71 0.02 0.00 0.00 175.26 176.25 3m9q s TYR 52 N -1.31 1.72 -0.22 1.61 2.02 0.33 -0.24 117.35 121.26 3m9q s TYR 52 Ca 0.12 -0.83 -0.28 0.00 -0.37 0.00 0.00 57.07 55.71 3m9q s TYR 52 Cb -0.09 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3m9q s TYR 52 CO 0.06 -0.49 1.00 0.21 -1.57 0.00 0.00 175.55 174.77 3m9q s LYS 53 N 1.29 4.26 -0.08 -0.62 2.20 -0.22 -0.69 119.74 125.88 3m9q s LYS 53 Ca -0.02 1.30 0.05 0.00 -0.36 0.00 0.00 55.97 56.94 3m9q s LYS 53 Cb -0.14 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 3m9q s LYS 53 CO -0.05 -0.58 -0.22 -1.50 -0.36 0.00 0.00 175.35 172.64 3m9q s ILE 54 N 3.03 2.26 -0.22 5.43 -1.16 0.87 0.19 121.20 131.61 3m9q s ILE 54 Ca 0.43 -0.98 -0.05 0.00 -0.51 0.00 0.00 60.65 59.54 3m9q s ILE 54 Cb -0.15 -1.85 -0.02 0.00 0.61 0.00 0.00 42.46 41.04 3m9q s ILE 54 CO 0.07 0.56 -0.00 -2.28 -2.81 0.00 0.00 174.94 170.49 3m9q s HIS 55 N -0.03 3.02 -0.16 3.50 5.65 -0.34 -1.81 115.29 125.12 3m9q s HIS 55 Ca -0.07 -0.63 -0.29 0.00 0.25 0.00 0.00 55.06 54.32 3m9q s HIS 55 Cb -0.15 -2.13 -0.01 0.00 -1.18 0.00 0.00 32.58 29.12 3m9q s HIS 55 CO 0.05 -0.38 1.19 -0.06 -0.65 0.00 0.00 174.74 174.89 3m9q s PHE 56 N 1.32 3.04 0.21 3.88 0.08 -1.26 -0.68 117.98 124.56 3m9q s PHE 56 Ca 0.04 1.17 -0.32 0.00 0.12 0.00 0.00 56.93 57.94 3m9q s PHE 56 Cb -0.15 -3.42 -0.12 0.00 -0.57 0.00 0.00 43.02 38.76 3m9q s PHE 56 CO 0.00 -1.30 1.70 1.04 -0.10 0.00 0.00 175.22 176.57 3m9q n GLN 57 N 6.29 2.71 -0.43 0.44 6.02 -0.18 -1.58 117.38 130.65 3m9q n GLN 57 Ca 0.13 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 58.10 3m9q n GLN 57 Cb 0.45 -2.81 0.00 0.00 1.02 0.00 0.00 30.24 28.90 3m9q n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m9q n GLY 58 N 3.81 1.11 3.94 1.08 0.00 -1.26 -4.93 105.19 108.94 3m9q n GLY 58 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3m9q n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m9q s TRP 59 N -3.04 3.50 0.47 1.61 0.52 -0.62 -5.08 118.94 116.30 3m9q s TRP 59 Ca 0.00 0.33 -0.22 0.00 0.02 0.00 0.00 56.10 56.23 3m9q s TRP 59 Cb 0.00 -1.88 -0.07 0.00 -1.15 0.00 0.00 33.47 30.37 3m9q s TRP 59 CO 0.00 0.15 1.16 1.03 0.02 0.00 0.00 176.95 179.32 3m9q s ARG 60 N -4.24 3.69 0.61 4.98 0.52 -1.26 -4.92 118.95 118.33 3m9q s ARG 60 Ca 0.40 1.76 0.38 0.00 -0.52 0.00 0.00 55.73 57.74 3m9q s ARG 60 Cb -0.10 -2.35 2.02 0.00 0.52 0.00 0.00 34.95 35.05 3m9q s ARG 60 CO 0.35 -0.60 2.25 -1.00 0.02 0.00 0.00 175.30 176.32 3m9q h PRO 61 N 1.92 0.00 0.00 3.54 0.13 -1.98 -0.95 132.00 134.66 3m9q h PRO 61 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3m9q h PRO 61 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3m9q h PRO 61 CO 0.60 0.02 0.00 0.43 -0.23 0.00 0.00 178.00 178.82 3m9q n SER 62 N -3.32 0.00 -0.53 1.44 7.64 -1.26 -1.35 113.62 116.24 3m9q n SER 62 Ca -0.02 -0.06 0.13 0.00 1.01 0.00 0.00 58.87 59.93 3m9q n SER 62 Cb 0.13 -0.25 0.25 0.00 -1.01 0.00 0.00 64.21 63.33 3m9q n SER 62 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3m9q n TYR 63 N -1.25 0.00 -2.29 1.43 4.01 -0.36 -4.94 117.16 113.75 3m9q n TYR 63 Ca 0.10 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 3m9q n TYR 63 Cb 0.14 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.13 3m9q n TYR 63 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3m9q s ASP 64 N -2.26 6.02 0.20 7.72 1.01 -0.46 -4.82 116.67 124.08 3m9q s ASP 64 Ca 0.27 2.21 -0.18 0.00 0.71 0.00 0.00 52.55 55.57 3m9q s ASP 64 Cb 0.20 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.56 3m9q s ASP 64 CO 0.44 -1.01 0.53 0.00 0.21 0.00 0.00 175.17 175.33 3m9q s ARG 65 N -2.97 1.39 -0.19 8.23 1.70 -0.75 -4.96 118.95 121.39 3m9q s ARG 65 Ca 0.67 -0.87 -0.17 0.00 -0.47 0.00 0.00 55.73 54.90 3m9q s ARG 65 Cb -0.25 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 3m9q s ARG 65 CO 0.30 -0.59 0.44 0.00 -1.08 0.00 0.00 175.30 174.37 3m9q s ALA 66 N -3.88 3.55 0.23 7.88 0.00 -1.26 -0.09 121.76 128.19 3m9q s ALA 66 Ca 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3m9q s ALA 66 Cb -0.01 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 3m9q s ALA 66 CO -0.03 -0.33 0.03 0.14 0.00 0.00 0.00 175.76 175.58 3m9q s VAL 67 N 1.37 0.82 0.33 0.00 -7.23 0.13 -4.90 120.40 110.92 3m9q s VAL 67 Ca 0.21 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 3m9q s VAL 67 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3m9q s VAL 67 CO 0.09 -0.25 0.54 -0.13 -0.31 0.00 0.00 175.10 175.04 3m9q s ARG 68 N -3.93 3.51 0.62 4.82 1.81 -1.26 -0.51 118.95 124.01 3m9q s ARG 68 Ca 0.30 -0.27 0.33 0.00 -1.72 0.00 0.00 55.73 54.38 3m9q s ARG 68 Cb 0.07 -2.67 1.86 0.00 -0.45 0.00 0.00 34.95 33.76 3m9q s ARG 68 CO 0.09 0.17 2.17 0.00 -0.68 0.00 0.00 175.30 177.06 3m9q h ALA 69 N 1.00 1.51 0.00 2.13 0.00 -1.95 -2.49 119.26 119.47 3m9q h ALA 69 Ca -0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3m9q h ALA 69 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3m9q h ALA 69 CO 0.63 -0.18 -0.01 1.79 0.00 0.00 0.00 179.25 181.48 3m9q h THR 70 N 0.00 0.13 -0.38 0.00 1.35 -1.97 -1.11 112.91 110.93 3m9q h THR 70 Ca 0.04 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3m9q h THR 70 Cb 0.31 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3m9q h THR 70 CO -0.00 0.01 0.00 1.33 -0.25 0.00 0.00 175.52 176.61 3m9q n VAL 71 N -3.24 0.65 -4.25 6.82 0.24 -0.94 -4.96 118.33 112.65 3m9q n VAL 71 Ca -0.02 -0.82 -0.31 0.00 -2.04 0.00 0.00 64.34 61.15 3m9q n VAL 71 Cb 0.12 0.81 -0.09 0.00 -1.47 0.00 0.00 33.84 33.22 3m9q n VAL 71 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3m9q s LEU 72 N -1.19 3.31 0.05 1.34 1.43 -0.42 -1.26 118.68 121.95 3m9q s LEU 72 Ca 0.32 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3m9q s LEU 72 Cb 0.18 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3m9q s LEU 72 CO 0.25 0.21 -0.12 -0.76 0.23 0.00 0.00 176.35 176.17 3m9q s LEU 73 N -1.98 2.25 0.39 1.79 1.43 0.22 -5.00 118.68 117.78 3m9q s LEU 73 Ca 0.22 -0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 52.49 3m9q s LEU 73 Cb -0.11 -0.39 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 3m9q s LEU 73 CO 0.14 -0.10 1.41 -0.54 0.23 0.00 0.00 176.35 177.48 3m9q s LYS 74 N -1.56 4.01 -1.37 1.70 -0.14 -1.26 -0.98 119.74 120.13 3m9q s LYS 74 Ca -0.04 2.39 -0.14 0.00 -1.36 0.00 0.00 55.97 56.82 3m9q s LYS 74 Cb -0.09 -2.86 0.08 0.00 -1.68 0.00 0.00 37.83 33.27 3m9q s LYS 74 CO 0.01 -0.54 1.99 -3.47 -0.76 0.00 0.00 175.35 172.58 3m9q n ASP 75 N 0.28 4.46 -4.87 2.83 2.03 -1.26 -4.67 116.55 115.35 3m9q n ASP 75 Ca 0.02 -2.92 -0.21 0.00 0.52 0.00 0.00 54.79 52.20 3m9q n ASP 75 Cb 0.41 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 3m9q n ASP 75 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3m9q s THR 76 N 2.77 2.90 0.29 5.18 -4.23 -1.26 -4.99 115.64 116.29 3m9q s THR 76 Ca 0.47 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 3m9q s THR 76 Cb 0.10 -3.05 0.18 0.00 1.34 0.00 0.00 72.50 71.07 3m9q s THR 76 CO -0.03 -0.05 1.86 -0.08 -0.54 0.00 0.00 174.62 175.78 3m9q h GLU 77 N 1.10 0.87 -0.48 3.99 4.57 -1.99 -0.18 114.58 122.46 3m9q h GLU 77 Ca -0.42 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 57.56 3m9q h GLU 77 Cb 1.26 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 3m9q h GLU 77 CO 0.58 0.73 0.09 0.93 -1.18 0.00 0.00 179.01 180.15 3m9q h GLU 78 N 0.85 0.78 0.00 1.92 3.07 -1.95 -1.18 114.58 118.07 3m9q h GLU 78 Ca 0.20 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 3m9q h GLU 78 Cb 0.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3m9q h GLU 78 CO -0.01 0.78 -0.45 -0.91 -1.40 0.00 0.00 179.01 177.02 3m9q h ASN 79 N 0.66 0.00 0.74 1.42 2.35 -1.71 -2.55 115.58 116.49 3m9q h ASN 79 Ca 0.15 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3m9q h ASN 79 Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3m9q h ASN 79 CO 0.01 0.45 -0.61 0.03 -1.65 0.00 0.00 177.43 175.65 3m9q h ARG 80 N 0.00 0.00 -0.41 0.81 3.08 -0.68 -0.74 114.38 116.44 3m9q h ARG 80 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3m9q h ARG 80 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 3m9q h ARG 80 CO 0.06 0.61 -0.19 0.37 -1.07 0.00 0.00 179.97 179.75 3m9q h GLN 81 N 0.00 0.85 -0.52 0.04 5.75 -0.83 -0.40 115.11 120.00 3m9q h GLN 81 Ca -0.01 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.11 3m9q h GLN 81 Cb 1.15 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3m9q h GLN 81 CO 0.08 1.00 0.27 1.25 -2.65 0.00 0.00 178.83 178.78 3m9q h LEU 82 N 0.66 0.66 -0.82 -2.39 5.85 -1.21 -1.13 115.31 116.93 3m9q h LEU 82 Ca 0.09 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3m9q h LEU 82 Cb 0.75 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3m9q h LEU 82 CO 0.06 0.59 0.48 -0.61 -0.34 0.00 0.00 178.44 178.62 3m9q h GLN 83 N 0.69 0.83 -0.47 1.25 4.15 -0.73 -0.11 115.11 120.72 3m9q h GLN 83 Ca 0.18 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3m9q h GLN 83 Cb 0.09 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3m9q h GLN 83 CO -0.03 0.55 0.03 0.00 -1.93 0.00 0.00 178.83 177.45 3m9q h ARG 84 N 0.85 0.81 -0.53 1.69 3.08 -0.44 -1.61 114.38 118.24 3m9q h ARG 84 Ca 0.37 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3m9q h ARG 84 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3m9q h ARG 84 CO -0.21 0.85 0.08 0.93 -1.07 0.00 0.00 179.97 180.55 3m9q h GLU 85 N 0.67 0.89 -0.26 0.04 5.08 -0.48 -2.26 114.58 118.26 3m9q h GLU 85 Ca 0.14 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3m9q h GLU 85 Cb 0.46 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3m9q h GLU 85 CO 0.02 0.87 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.57 3m9q h LEU 86 N 0.78 0.51 -0.85 1.33 3.38 -0.88 -2.03 115.31 117.53 3m9q h LEU 86 Ca 0.16 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3m9q h LEU 86 Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3m9q h LEU 86 CO 0.01 0.76 -0.56 0.00 0.09 0.00 0.00 178.44 178.74 3m9q h ALA 87 N 1.28 1.05 0.09 1.53 0.00 -0.94 -1.47 119.26 120.79 3m9q h ALA 87 Ca 0.06 -0.51 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 3m9q h ALA 87 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3m9q h ALA 87 CO 0.05 0.70 -1.24 1.05 0.00 0.00 0.00 179.25 179.82 3m9q h GLU 88 N 0.00 0.19 0.00 0.00 9.09 -1.05 -3.13 114.58 119.68 3m9q h GLU 88 Ca -0.01 -0.32 -0.03 0.00 0.05 0.00 0.00 59.36 59.05 3m9q h GLU 88 Cb 1.01 0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 3m9q h GLU 88 CO 0.07 1.12 -0.15 0.00 0.05 0.00 0.00 179.01 180.10 3m9q h ALA 89 N 0.69 0.91 0.00 1.06 0.00 -1.05 -3.52 119.26 117.36 3m9q h ALA 89 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3m9q h ALA 89 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3m9q h ALA 89 CO 0.17 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.62