#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4y s PRO 6 N 0.00 4.22 -0.30 0.52 0.02 -1.26 -5.19 135.00 133.01 2q4y s PRO 6 Ca 0.00 0.54 0.02 0.00 0.02 0.00 0.00 61.00 61.58 2q4y s PRO 6 Cb 0.00 -3.56 0.09 0.00 0.02 0.00 0.00 34.50 31.05 2q4y s PRO 6 CO 0.00 -0.17 0.01 0.21 -0.33 0.00 0.00 177.00 176.73 2q4y s LYS 7 N 1.68 1.48 0.05 5.54 2.20 -1.26 -5.11 119.74 124.34 2q4y s LYS 7 Ca 0.27 -1.49 0.08 0.00 -0.36 0.00 0.00 55.97 54.47 2q4y s LYS 7 Cb -0.16 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2q4y s LYS 7 CO 0.10 -0.83 -0.22 0.42 -0.36 0.00 0.00 175.35 174.46 2q4y s ILE 8 N 1.15 1.78 0.35 5.43 1.01 -1.26 -2.63 121.20 127.03 2q4y s ILE 8 Ca 0.05 -1.29 0.03 0.00 0.00 0.00 0.00 60.65 59.44 2q4y s ILE 8 Cb -0.19 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2q4y s ILE 8 CO -0.10 0.21 0.11 1.33 0.00 0.00 0.00 174.94 176.48 2q4y n VAL 9 N 1.73 0.00 -4.61 2.92 0.24 -0.55 -4.94 118.33 113.12 2q4y n VAL 9 Ca -0.17 -1.98 -0.33 0.00 -2.04 0.00 0.00 64.34 59.82 2q4y n VAL 9 Cb 0.53 0.67 -0.16 0.00 -1.47 0.00 0.00 33.84 33.41 2q4y n VAL 9 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2q4y s TRP 10 N -2.79 2.71 -0.22 6.34 -0.00 -1.26 -2.26 118.94 121.46 2q4y s TRP 10 Ca 0.15 -1.24 0.01 0.00 -0.00 0.00 0.00 56.10 55.02 2q4y s TRP 10 Cb 0.01 -1.85 0.03 0.00 -0.00 0.00 0.00 33.47 31.67 2q4y s TRP 10 CO 0.11 -0.57 -0.14 1.21 -0.00 0.00 0.00 176.95 177.57 2q4y s ASN 11 N 0.83 3.85 0.00 5.86 3.84 -1.18 -5.03 114.94 123.11 2q4y s ASN 11 Ca -0.06 -0.93 -0.10 0.00 0.21 0.00 0.00 52.86 51.97 2q4y s ASN 11 Cb -0.15 -1.55 -0.32 0.00 -0.55 0.00 0.00 41.25 38.68 2q4y s ASN 11 CO -0.01 -0.09 0.87 -0.33 -2.79 0.00 0.00 177.10 174.74 2q4y h GLU 12 N 7.91 0.40 0.00 0.43 5.08 -1.96 -2.01 114.58 124.43 2q4y h GLU 12 Ca -0.34 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.33 2q4y h GLU 12 Cb 1.10 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2q4y h GLU 12 CO 0.57 1.31 0.04 0.41 -1.00 0.00 0.00 179.01 180.34 2q4y n GLY 13 N 1.74 -0.33 0.00 -3.84 0.00 -1.26 0.51 105.19 102.01 2q4y n GLY 13 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2q4y n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4y n LYS 14 N -1.32 -0.35 -2.48 1.61 4.76 -1.22 -5.01 118.16 114.15 2q4y n LYS 14 Ca 0.00 -0.22 -0.13 0.00 -2.87 0.00 0.00 58.31 55.09 2q4y n LYS 14 Cb 0.04 -0.70 -0.01 0.00 -1.84 0.00 0.00 35.03 32.53 2q4y n LYS 14 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2q4y n ARG 15 N -0.01 -2.30 -4.16 1.97 1.74 0.18 -4.81 116.66 109.28 2q4y n ARG 15 Ca 0.00 0.60 -0.13 0.00 -0.77 0.00 0.00 57.85 57.55 2q4y n ARG 15 Cb 0.16 -5.20 -0.10 0.00 -1.02 0.00 0.00 32.46 26.29 2q4y n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2q4y s ARG 16 N -5.07 0.81 -0.09 5.56 1.70 -1.04 -0.78 118.95 120.04 2q4y s ARG 16 Ca 0.02 -1.20 -0.19 0.00 -0.47 0.00 0.00 55.73 53.90 2q4y s ARG 16 Cb -0.01 -0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 33.96 2q4y s ARG 16 CO 0.02 0.03 0.51 -0.06 -1.08 0.00 0.00 175.30 174.72 2q4y s PHE 17 N -2.85 3.56 0.21 5.89 0.40 0.25 -3.11 117.98 122.33 2q4y s PHE 17 Ca 0.07 0.97 -0.09 0.00 -0.60 0.00 0.00 56.93 57.28 2q4y s PHE 17 Cb -0.00 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.96 2q4y s PHE 17 CO -0.02 0.23 0.34 -1.83 0.70 0.00 0.00 175.22 174.64 2q4y s GLU 18 N 0.38 1.36 0.66 0.44 -1.05 -0.96 -1.22 118.70 118.32 2q4y s GLU 18 Ca 0.27 -1.33 -0.15 0.00 -0.15 0.00 0.00 54.97 53.62 2q4y s GLU 18 Cb -0.16 0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 33.93 2q4y s GLU 18 CO 0.12 -0.52 1.11 0.95 0.95 0.00 0.00 175.26 177.87 2q4y s THR 19 N -4.04 3.23 0.63 1.83 -4.23 -0.62 -1.49 115.64 110.95 2q4y s THR 19 Ca 0.25 0.58 0.30 0.00 -1.18 0.00 0.00 61.69 61.64 2q4y s THR 19 Cb 0.02 -3.10 0.34 0.00 1.34 0.00 0.00 72.50 71.10 2q4y s THR 19 CO 0.07 -0.35 1.97 -0.33 -0.54 0.00 0.00 174.62 175.45 2q4y h GLU 20 N 0.07 0.00 -0.27 3.99 5.08 -1.87 0.23 114.58 121.80 2q4y h GLU 20 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2q4y h GLU 20 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2q4y h GLU 20 CO 0.54 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.15 2q4y n ASP 21 N -3.30 2.04 -0.40 1.42 5.68 -1.26 -4.92 116.55 115.81 2q4y n ASP 21 Ca 0.01 -1.84 -0.05 0.00 -0.50 0.00 0.00 54.79 52.41 2q4y n ASP 21 Cb 0.43 -0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.21 2q4y n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2q4y n HIS 22 N 0.58 0.00 0.11 2.11 8.25 0.80 -4.88 115.22 122.19 2q4y n HIS 22 Ca 0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.64 2q4y n HIS 22 Cb 0.37 -2.10 -0.01 0.00 1.12 0.00 0.00 29.99 29.37 2q4y n HIS 22 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2q4y h GLU 23 N 0.10 0.00 -5.30 -0.41 4.39 -1.92 -3.46 114.58 107.99 2q4y h GLU 23 Ca -0.11 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.03 2q4y h GLU 23 Cb 0.95 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.28 2q4y h GLU 23 CO 0.16 0.42 -0.84 0.00 -1.16 0.00 0.00 179.01 177.58 2q4y s ALA 24 N -2.97 1.56 0.32 3.43 0.00 -1.26 -4.28 121.76 118.56 2q4y s ALA 24 Ca 0.02 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 2q4y s ALA 24 Cb 0.08 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2q4y s ALA 24 CO 0.77 0.28 0.68 -0.59 0.00 0.00 0.00 175.76 176.89 2q4y s PHE 25 N 0.07 0.18 -0.12 0.00 -0.12 0.13 -1.59 117.98 116.52 2q4y s PHE 25 Ca -0.05 -0.67 -0.04 0.00 -0.05 0.00 0.00 56.93 56.12 2q4y s PHE 25 Cb -0.12 0.58 0.06 0.00 -0.63 0.00 0.00 43.02 42.91 2q4y s PHE 25 CO 0.02 -1.32 0.16 -1.50 -0.05 0.00 0.00 175.22 172.54 2q4y s ILE 26 N -3.21 -0.25 0.15 -4.49 2.07 -0.35 -0.83 121.20 114.29 2q4y s ILE 26 Ca 0.17 0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.62 2q4y s ILE 26 Cb -0.04 -0.41 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 2q4y s ILE 26 CO 0.11 0.01 0.27 -0.70 -1.91 0.00 0.00 174.94 172.72 2q4y s GLU 27 N 2.28 3.37 0.20 3.50 2.12 0.03 -0.58 118.70 129.63 2q4y s GLU 27 Ca 0.04 -0.64 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 2q4y s GLU 27 Cb -0.13 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 2q4y s GLU 27 CO -0.07 0.51 0.18 1.52 -0.54 0.00 0.00 175.26 176.86 2q4y s TYR 28 N -1.75 1.02 -0.03 5.30 -0.85 0.04 -2.37 117.35 118.71 2q4y s TYR 28 Ca 0.34 -1.27 0.03 0.00 -0.52 0.00 0.00 57.07 55.66 2q4y s TYR 28 Cb -0.11 -0.44 -0.00 0.00 0.38 0.00 0.00 41.96 41.79 2q4y s TYR 28 CO 0.28 -0.69 -0.13 0.15 -1.52 0.00 0.00 175.55 173.64 2q4y s LYS 29 N -4.13 1.24 0.11 -3.49 1.02 -0.69 -4.69 119.74 109.11 2q4y s LYS 29 Ca 0.36 -0.44 -0.25 0.00 0.02 0.00 0.00 55.97 55.65 2q4y s LYS 29 Cb 0.06 -1.13 -0.07 0.00 -0.52 0.00 0.00 37.83 36.17 2q4y s LYS 29 CO 0.11 0.20 0.78 -1.64 -0.92 0.00 0.00 175.35 173.88 2q4y s MET 30 N 0.01 4.54 0.15 1.68 -1.94 -1.26 -0.15 119.30 122.33 2q4y s MET 30 Ca -0.01 1.13 0.05 0.00 -1.71 0.00 0.00 55.69 55.16 2q4y s MET 30 Cb -0.09 -3.31 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 2q4y s MET 30 CO 0.01 0.43 -0.12 1.03 -0.01 0.00 0.00 175.02 176.36 2q4y s ARG 31 N -0.63 1.08 -1.22 2.03 0.52 -0.51 -4.82 118.95 115.40 2q4y s ARG 31 Ca 0.37 -1.38 -0.02 0.00 -0.52 0.00 0.00 55.73 54.18 2q4y s ARG 31 Cb -0.22 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.45 2q4y s ARG 31 CO 0.25 0.13 0.87 -1.71 0.02 0.00 0.00 175.30 174.86 2q4y n ASN 32 N 0.06 -2.43 -3.35 0.23 5.15 -1.26 -1.56 115.26 112.10 2q4y n ASN 32 Ca -0.12 -0.72 -0.16 0.00 -0.60 0.00 0.00 54.58 52.98 2q4y n ASN 32 Cb 0.59 -4.67 0.08 0.00 -0.53 0.00 0.00 39.78 35.25 2q4y n ASN 32 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2q4y n ASN 33 N -3.10 -3.12 -2.71 1.20 5.03 -1.26 -3.05 115.26 108.25 2q4y n ASN 33 Ca -0.26 -0.63 -0.19 0.00 0.87 0.00 0.00 54.58 54.37 2q4y n ASN 33 Cb 0.66 -5.08 0.04 0.00 -1.02 0.00 0.00 39.78 34.38 2q4y n ASN 33 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2q4y n GLY 34 N -1.15 -0.35 0.00 7.41 0.00 -1.20 -4.89 105.19 105.01 2q4y n GLY 34 Ca -0.23 0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.81 2q4y n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4y n LYS 35 N -3.70 5.21 -3.48 1.61 5.02 -1.00 -4.97 118.16 116.85 2q4y n LYS 35 Ca -0.08 -0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.99 2q4y n LYS 35 Cb 0.60 -0.66 -0.13 0.00 -0.02 0.00 0.00 35.03 34.82 2q4y n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q4y s VAL 36 N -1.33 -0.25 -0.08 -0.18 1.01 -0.60 -3.02 120.40 115.94 2q4y s VAL 36 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2q4y s VAL 36 Cb 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2q4y s VAL 36 CO 0.06 -0.51 1.36 -0.32 0.00 0.00 0.00 175.10 175.69 2q4y s MET 37 N 2.25 4.26 -0.37 2.72 1.75 -1.04 -1.43 119.30 127.44 2q4y s MET 37 Ca 0.08 1.84 -0.13 0.00 -1.25 0.00 0.00 55.69 56.23 2q4y s MET 37 Cb -0.15 -3.72 0.00 0.00 2.84 0.00 0.00 34.83 33.81 2q4y s MET 37 CO -0.29 -0.65 0.25 0.34 -0.65 0.00 0.00 175.02 174.02 2q4y s ASP 38 N 2.11 6.00 -0.21 1.11 -1.08 0.79 -2.84 116.67 122.54 2q4y s ASP 38 Ca 0.61 -0.67 -0.23 0.00 -0.52 0.00 0.00 52.55 51.74 2q4y s ASP 38 Cb -0.27 -2.12 -0.02 0.00 -1.46 0.00 0.00 42.92 39.05 2q4y s ASP 38 CO 0.22 -0.33 0.74 -0.76 0.52 0.00 0.00 175.17 175.55 2q4y s LEU 39 N 1.68 4.12 0.00 -1.34 1.43 -1.01 -1.71 118.68 121.86 2q4y s LEU 39 Ca 0.05 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2q4y s LEU 39 Cb -0.18 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2q4y s LEU 39 CO 0.10 -0.39 0.19 1.33 0.23 0.00 0.00 176.35 177.80 2q4y n VAL 40 N 4.95 0.02 -3.45 -1.59 0.24 -1.00 0.30 118.33 117.81 2q4y n VAL 40 Ca 0.02 -0.16 0.01 0.00 -2.04 0.00 0.00 64.34 62.17 2q4y n VAL 40 Cb 0.49 1.64 -0.05 0.00 -1.47 0.00 0.00 33.84 34.45 2q4y n VAL 40 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2q4y s HIS 41 N -0.02 -0.63 0.22 6.34 5.65 -1.22 -4.38 115.29 121.25 2q4y s HIS 41 Ca 0.00 1.13 0.10 0.00 0.25 0.00 0.00 55.06 56.54 2q4y s HIS 41 Cb 0.00 0.38 -0.04 0.00 -1.18 0.00 0.00 32.58 31.74 2q4y s HIS 41 CO 0.00 -0.31 -0.14 0.99 -0.65 0.00 0.00 174.74 174.63 2q4y s THR 42 N 2.21 2.86 -0.27 0.89 2.01 -1.26 -0.79 115.64 121.29 2q4y s THR 42 Ca -0.04 -1.97 -0.16 0.00 0.31 0.00 0.00 61.69 59.83 2q4y s THR 42 Cb -0.05 -2.45 0.08 0.00 0.01 0.00 0.00 72.50 70.09 2q4y s THR 42 CO -0.17 -0.23 0.68 -0.47 -0.69 0.00 0.00 174.62 173.74 2q4y s TYR 43 N -2.00 -1.04 -0.12 4.92 5.04 -0.01 -4.96 117.35 119.18 2q4y s TYR 43 Ca 0.26 2.10 0.02 0.00 -2.44 0.00 0.00 57.07 57.01 2q4y s TYR 43 Cb -0.07 0.61 0.01 0.00 0.35 0.00 0.00 41.96 42.86 2q4y s TYR 43 CO 0.15 -0.52 -0.17 0.08 -1.34 0.00 0.00 175.55 173.75 2q4y s VAL 44 N 1.59 1.65 0.99 3.14 1.01 -1.26 -0.69 120.40 126.82 2q4y s VAL 44 Ca -0.10 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 2q4y s VAL 44 Cb -0.05 -1.49 0.18 0.00 0.00 0.00 0.00 36.38 35.02 2q4y s VAL 44 CO -0.19 0.47 1.09 -2.16 0.00 0.00 0.00 175.10 174.31 2q4y s PRO 45 N 0.97 0.49 0.07 2.72 0.04 -1.26 -4.68 135.00 133.34 2q4y s PRO 45 Ca -0.06 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 2q4y s PRO 45 Cb -0.15 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2q4y s PRO 45 CO -0.02 -2.86 1.29 1.03 0.04 0.00 0.00 177.00 176.48 2q4y h SER 46 N -2.01 -0.96 0.00 6.66 0.87 -1.98 -1.97 113.55 114.16 2q4y h SER 46 Ca -0.51 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2q4y h SER 46 Cb 1.29 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2q4y h SER 46 CO 0.48 -0.23 0.29 2.19 -0.53 0.00 0.00 176.83 179.03 2q4y h PHE 47 N -0.26 0.00 -0.01 2.24 -0.00 -2.06 0.15 116.94 117.01 2q4y h PHE 47 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 2q4y h PHE 47 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 2q4y h PHE 47 CO -0.60 0.00 -0.68 1.63 -0.00 0.00 0.00 178.31 178.66 2q4y n LYS 48 N -2.73 0.63 -1.15 6.09 5.02 -0.85 -5.03 118.16 120.14 2q4y n LYS 48 Ca -0.02 -0.51 -0.29 0.00 -2.02 0.00 0.00 58.31 55.47 2q4y n LYS 48 Cb 0.34 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 34.01 2q4y n LYS 48 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2q4y s ARG 49 N -2.72 0.84 0.00 1.97 0.52 0.51 -3.87 118.95 116.20 2q4y s ARG 49 Ca 0.14 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 2q4y s ARG 49 Cb 0.17 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.87 2q4y s ARG 49 CO 0.70 -2.50 0.00 0.41 0.02 0.00 0.00 175.30 173.93 2q4y n GLY 50 N -1.00 0.12 0.80 -3.53 0.00 -1.26 -4.77 105.19 95.55 2q4y n GLY 50 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 2q4y n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4y n LEU 51 N 0.00 2.67 0.00 0.99 4.77 -1.25 -4.99 117.00 119.18 2q4y n LEU 51 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2q4y n LEU 51 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2q4y n LEU 51 CO 0.00 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2q4y n GLY 52 N 1.14 0.79 0.31 -0.72 0.00 -1.26 -5.01 105.19 100.44 2q4y n GLY 52 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2q4y n GLY 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q4y h LEU 53 N 0.00 0.95 -1.71 0.99 5.85 -1.95 -2.13 115.31 117.32 2q4y h LEU 53 Ca 0.00 -0.21 0.17 0.00 0.84 0.00 0.00 57.88 58.68 2q4y h LEU 53 Cb 0.00 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2q4y h LEU 53 CO 0.00 0.95 0.50 0.00 -0.34 0.00 0.00 178.44 179.55 2q4y h ALA 54 N 1.17 2.29 0.70 1.25 0.00 -1.94 -2.40 119.26 120.33 2q4y h ALA 54 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2q4y h ALA 54 Cb 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2q4y h ALA 54 CO 0.01 -0.50 -0.34 1.03 0.00 0.00 0.00 179.25 179.45 2q4y h SER 55 N 0.28 -0.81 -1.00 0.00 0.87 -1.80 -0.67 113.55 110.42 2q4y h SER 55 Ca 0.36 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.99 2q4y h SER 55 Cb 1.02 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 63.13 2q4y h SER 55 CO -0.09 -0.58 0.65 0.45 -0.53 0.00 0.00 176.83 176.74 2q4y h HIS 56 N -0.95 1.22 -0.40 2.24 3.86 -1.47 -0.79 115.15 118.86 2q4y h HIS 56 Ca -0.10 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2q4y h HIS 56 Cb 0.73 -0.41 -0.06 0.00 1.06 0.00 0.00 27.41 28.74 2q4y h HIS 56 CO -0.03 0.69 0.07 -0.07 0.86 0.00 0.00 177.93 179.45 2q4y h LEU 57 N 1.25 -0.02 -0.71 2.43 3.38 -1.20 -2.44 115.31 118.00 2q4y h LEU 57 Ca 0.41 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.41 2q4y h LEU 57 Cb 0.04 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2q4y h LEU 57 CO -0.14 0.02 0.29 0.00 0.09 0.00 0.00 178.44 178.71 2q4y h VAL 59 N 1.01 0.56 -0.56 0.00 2.07 -0.95 0.49 116.25 118.86 2q4y h VAL 59 Ca 0.24 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2q4y h VAL 59 Cb 0.20 0.68 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 2q4y h VAL 59 CO -0.02 0.05 -0.22 0.00 0.02 0.00 0.00 177.57 177.40 2q4y h ALA 60 N -0.25 0.21 -0.39 1.67 0.00 -1.52 0.99 119.26 119.98 2q4y h ALA 60 Ca -0.06 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2q4y h ALA 60 Cb 0.53 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2q4y h ALA 60 CO 0.10 -0.53 0.22 0.00 0.00 0.00 0.00 179.25 179.04 2q4y h ALA 61 N 1.34 0.50 -0.53 0.00 0.00 -0.28 0.25 119.26 120.53 2q4y h ALA 61 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2q4y h ALA 61 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2q4y h ALA 61 CO -0.62 0.02 0.03 0.74 0.00 0.00 0.00 179.25 179.42 2q4y h PHE 62 N 0.50 0.94 -0.03 0.00 -1.00 0.17 -1.82 116.94 115.71 2q4y h PHE 62 Ca 0.14 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2q4y h PHE 62 Cb 0.05 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.35 2q4y h PHE 62 CO -0.03 0.84 -0.00 0.93 -1.61 0.00 0.00 178.31 178.44 2q4y h GLU 63 N 0.83 0.05 -0.29 1.51 4.39 0.13 0.29 114.58 121.48 2q4y h GLU 63 Ca 0.16 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.90 2q4y h GLU 63 Cb 0.45 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 2q4y h GLU 63 CO 0.02 0.38 -0.42 1.25 -1.16 0.00 0.00 179.01 179.08 2q4y h HIS 64 N -0.29 -1.22 0.31 4.33 2.76 -0.87 0.91 115.15 121.09 2q4y h HIS 64 Ca 0.01 0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2q4y h HIS 64 Cb 0.36 0.57 -0.04 0.00 1.55 0.00 0.00 27.41 29.86 2q4y h HIS 64 CO 0.05 -0.45 -0.52 0.00 -1.30 0.00 0.00 177.93 175.71 2q4y h ALA 65 N 0.31 -1.07 -0.99 5.26 0.00 -1.09 -0.75 119.26 120.94 2q4y h ALA 65 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2q4y h ALA 65 Cb 0.60 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2q4y h ALA 65 CO -0.50 -1.16 0.64 1.03 0.00 0.00 0.00 179.25 179.26 2q4y h SER 66 N -0.88 1.04 1.57 0.00 0.87 -0.07 -1.37 113.55 114.71 2q4y h SER 66 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2q4y h SER 66 Cb 0.82 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2q4y h SER 66 CO -0.18 0.69 0.00 0.77 -0.53 0.00 0.00 176.83 177.58 2q4y h SER 67 N 1.19 0.00 -0.78 6.23 4.64 0.11 -3.25 113.55 121.70 2q4y h SER 67 Ca 0.41 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.29 2q4y h SER 67 Cb 0.09 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.93 2q4y h SER 67 CO -0.15 0.00 0.37 1.41 -0.87 0.00 0.00 176.83 177.59 2q4y n HIS 68 N -2.72 2.44 -4.02 4.77 8.25 -0.31 -5.00 115.22 118.63 2q4y n HIS 68 Ca 0.04 -1.98 -0.35 0.00 -0.26 0.00 0.00 57.72 55.17 2q4y n HIS 68 Cb 0.44 -0.85 -0.01 0.00 1.12 0.00 0.00 29.99 30.69 2q4y n HIS 68 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2q4y n SER 69 N -1.08 -2.14 -4.13 0.41 7.64 -0.74 -4.95 113.62 108.63 2q4y n SER 69 Ca 0.51 -1.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.13 2q4y n SER 69 Cb 1.28 -1.29 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 2q4y n SER 69 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2q4y s ILE 70 N -3.90 1.01 0.49 0.44 1.01 -0.72 -4.96 121.20 114.58 2q4y s ILE 70 Ca 0.29 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 60.00 2q4y s ILE 70 Cb -0.16 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2q4y s ILE 70 CO 0.81 -0.06 0.41 -0.94 0.00 0.00 0.00 174.94 175.15 2q4y s SER 71 N -1.21 4.80 0.08 3.58 1.04 -1.17 -4.11 113.70 116.72 2q4y s SER 71 Ca -0.00 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.44 2q4y s SER 71 Cb -0.08 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 2q4y s SER 71 CO 0.01 -0.91 -0.08 -0.63 0.98 0.00 0.00 173.24 172.61 2q4y s ILE 72 N -2.64 0.74 -0.07 -1.02 1.01 0.23 -2.49 121.20 116.97 2q4y s ILE 72 Ca 0.42 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2q4y s ILE 72 Cb -0.02 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 2q4y s ILE 72 CO 0.25 -0.62 -0.16 -0.63 0.00 0.00 0.00 174.94 173.78 2q4y s ILE 73 N -2.57 2.85 -1.21 2.92 1.01 -1.13 -1.04 121.20 122.02 2q4y s ILE 73 Ca 0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2q4y s ILE 73 Cb -0.02 -2.11 0.21 0.00 0.01 0.00 0.00 42.46 40.55 2q4y s ILE 73 CO -0.02 0.57 1.72 -0.81 0.00 0.00 0.00 174.94 176.40 2q4y n PRO 74 N 2.66 3.87 0.08 2.79 -0.04 -1.26 -2.39 135.00 140.71 2q4y n PRO 74 Ca -0.17 -3.88 -0.16 0.00 -0.04 0.00 0.00 63.50 59.25 2q4y n PRO 74 Cb 0.52 -2.79 -0.08 0.00 -0.04 0.00 0.00 33.50 31.10 2q4y n PRO 74 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2q4y h SER 75 N 5.74 0.61 -2.59 3.54 0.02 -1.61 -3.39 113.55 115.87 2q4y h SER 75 Ca 0.33 -0.53 -0.58 0.00 -0.84 0.00 0.00 61.79 60.16 2q4y h SER 75 Cb 0.64 -0.19 0.08 0.00 0.14 0.00 0.00 62.40 63.07 2q4y h SER 75 CO 1.50 1.35 0.65 0.00 -1.14 0.00 0.00 176.83 179.19 2q4y h SER 77 N 4.56 0.78 -0.06 0.00 0.87 -1.88 0.29 113.55 118.11 2q4y h SER 77 Ca -0.45 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2q4y h SER 77 Cb 1.27 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2q4y h SER 77 CO 0.78 0.57 0.02 0.22 -0.53 0.00 0.00 176.83 177.89 2q4y h TYR 78 N 0.91 0.09 -0.80 2.24 3.20 -1.96 0.84 116.97 121.50 2q4y h TYR 78 Ca 0.25 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.15 2q4y h TYR 78 Cb -0.10 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 2q4y h TYR 78 CO -0.02 0.26 0.50 0.28 -1.64 0.00 0.00 178.16 177.54 2q4y h VAL 79 N -0.11 1.09 0.00 1.81 2.07 -1.64 -1.63 116.25 117.85 2q4y h VAL 79 Ca 0.02 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.04 2q4y h VAL 79 Cb 0.21 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2q4y h VAL 79 CO -0.00 0.17 -0.97 0.77 0.02 0.00 0.00 177.57 177.56 2q4y h SER 80 N 0.96 0.00 0.08 0.57 4.64 0.06 -2.01 113.55 117.84 2q4y h SER 80 Ca 0.33 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.28 2q4y h SER 80 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2q4y h SER 80 CO -0.13 0.72 -2.15 0.47 -0.87 0.00 0.00 176.83 174.87 2q4y n ASP 81 N -3.17 2.07 -0.05 4.97 8.00 0.24 -4.48 116.55 124.12 2q4y n ASP 81 Ca -0.03 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 2q4y n ASP 81 Cb 0.85 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2q4y n ASP 81 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2q4y n THR 82 N -3.45 1.22 0.10 -3.53 -1.04 -0.66 -4.46 114.28 102.45 2q4y n THR 82 Ca -0.37 0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 2q4y n THR 82 Cb 1.01 -1.93 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 2q4y n THR 82 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2q4y h PHE 83 N -0.60 -0.37 -0.42 -1.42 3.57 -1.53 0.11 116.94 116.28 2q4y h PHE 83 Ca -0.16 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.22 2q4y h PHE 83 Cb 0.88 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2q4y h PHE 83 CO -0.18 -0.22 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.36 2q4y h LEU 84 N -0.29 0.94 -1.59 0.59 3.38 -1.58 -1.34 115.31 115.43 2q4y h LEU 84 Ca 0.02 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2q4y h LEU 84 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2q4y h LEU 84 CO -0.07 1.16 0.01 -0.65 0.09 0.00 0.00 178.44 178.98 2q4y h PRO 85 N 0.73 0.27 -0.01 1.13 0.11 -1.76 -2.15 132.00 130.32 2q4y h PRO 85 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2q4y h PRO 85 Cb 0.83 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2q4y h PRO 85 CO 0.07 0.29 -0.22 0.54 -0.21 0.00 0.00 178.00 178.48 2q4y n ARG 86 N -4.39 1.26 -2.93 1.05 1.74 0.37 -4.42 116.66 109.34 2q4y n ARG 86 Ca -0.00 -0.85 -0.13 0.00 -0.77 0.00 0.00 57.85 56.10 2q4y n ARG 86 Cb 0.17 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.16 2q4y n ARG 86 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2q4y n ASN 87 N -0.13 -0.83 0.00 0.55 3.02 -0.54 -5.00 115.26 112.34 2q4y n ASN 87 Ca 0.13 -3.34 0.05 0.00 -0.03 0.00 0.00 54.58 51.40 2q4y n ASN 87 Cb 0.40 0.71 0.26 0.00 -0.61 0.00 0.00 39.78 40.54 2q4y n ASN 87 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2q4y n PRO 88 N 0.28 0.11 0.00 3.52 -0.04 -0.86 -2.19 135.00 135.82 2q4y n PRO 88 Ca 0.14 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2q4y n PRO 88 Cb 0.69 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2q4y n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2q4y n SER 89 N -1.35 0.01 -0.00 3.54 3.41 -1.26 -2.42 113.62 115.55 2q4y n SER 89 Ca 0.04 -0.76 0.10 0.00 -0.26 0.00 0.00 58.87 57.99 2q4y n SER 89 Cb 0.10 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 2q4y n SER 89 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2q4y n TRP 90 N -0.48 0.00 -0.28 7.33 5.03 -0.93 -4.58 117.44 123.53 2q4y n TRP 90 Ca 0.00 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.58 2q4y n TRP 90 Cb 0.00 -0.21 0.16 0.00 -1.03 0.00 0.00 31.31 30.23 2q4y n TRP 90 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 2q4y h LYS 91 N 0.00 0.06 -1.16 -0.99 1.79 -1.75 0.39 116.57 114.91 2q4y h LYS 91 Ca 0.00 -0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.80 2q4y h LYS 91 Cb 0.68 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.26 2q4y h LYS 91 CO 0.00 0.04 0.81 -1.35 -1.08 0.00 0.00 179.45 177.87 2q4y h PRO 92 N 0.06 0.11 0.00 3.15 0.11 -1.83 0.78 132.00 134.37 2q4y h PRO 92 Ca 0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2q4y h PRO 92 Cb 0.75 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2q4y h PRO 92 CO -0.75 0.07 0.00 1.25 -0.21 0.00 0.00 178.00 178.36 2q4y h LEU 93 N 0.11 0.00 -9.65 2.35 7.12 -0.55 -3.45 115.31 111.25 2q4y h LEU 93 Ca 0.59 0.00 -0.52 0.00 0.13 0.00 0.00 57.88 58.09 2q4y h LEU 93 Cb 2.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.22 2q4y h LEU 93 CO -0.11 0.00 0.46 -0.63 -0.13 0.00 0.00 178.44 178.03 2q4y s ILE 94 N -3.70 3.94 -2.00 4.05 -1.09 0.27 -0.60 121.20 122.07 2q4y s ILE 94 Ca 0.00 1.67 0.14 0.00 -2.23 0.00 0.00 60.65 60.23 2q4y s ILE 94 Cb 0.10 -4.07 0.40 0.00 -1.58 0.00 0.00 42.46 37.31 2q4y s ILE 94 CO 0.47 0.29 1.26 1.57 -1.23 0.00 0.00 174.94 177.30