#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 1.98 0.03 0.52 0.02 -1.26 -5.09 135.00 131.20 2q4y s PRO 6 Ca 0.00 -0.39 -0.30 0.00 0.02 0.00 0.00 61.00 60.33 2q4y s PRO 6 Cb 0.00 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 2q4y s PRO 6 CO 0.00 -1.37 1.00 0.21 -0.33 0.00 0.00 177.00 176.51 2q4y s LYS 7 N -5.29 4.57 -0.10 5.54 2.20 -1.26 -5.00 119.74 120.40 2q4y s LYS 7 Ca 0.62 1.47 -0.01 0.00 -0.36 0.00 0.00 55.97 57.69 2q4y s LYS 7 Cb -0.09 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2q4y s LYS 7 CO 0.45 -0.02 -0.04 0.42 -0.36 0.00 0.00 175.35 175.80 2q4y s ILE 8 N 0.79 3.89 0.14 5.43 1.01 -1.25 -3.32 121.20 127.90 2q4y s ILE 8 Ca 0.52 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.83 2q4y s ILE 8 Cb -0.23 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2q4y s ILE 8 CO 0.29 0.56 -0.11 0.68 0.00 0.00 0.00 174.94 176.36 2q4y s VAL 9 N -0.42 1.23 -0.53 2.92 -7.23 1.88 -4.81 120.40 113.44 2q4y s VAL 9 Ca 0.07 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 2q4y s VAL 9 Cb -0.12 -1.73 0.08 0.00 0.56 0.00 0.00 36.38 35.17 2q4y s VAL 9 CO 0.02 -0.64 0.60 0.86 -0.31 0.00 0.00 175.10 175.63 2q4y s TRP 10 N -2.92 3.09 -0.99 2.82 -0.00 -1.26 0.13 118.94 119.80 2q4y s TRP 10 Ca 0.14 -0.83 -0.17 0.00 -0.00 0.00 0.00 56.10 55.25 2q4y s TRP 10 Cb -0.00 -3.66 0.15 0.00 -0.00 0.00 0.00 33.47 29.96 2q4y s TRP 10 CO 0.02 -1.08 1.17 1.21 -0.00 0.00 0.00 176.95 178.27 2q4y s ASN 11 N 3.09 6.77 0.36 5.86 3.84 0.32 -4.86 114.94 130.32 2q4y s ASN 11 Ca 0.11 -2.37 0.04 0.00 0.21 0.00 0.00 52.86 50.85 2q4y s ASN 11 Cb -0.23 -2.38 0.69 0.00 -0.55 0.00 0.00 41.25 38.78 2q4y s ASN 11 CO 0.08 -0.93 1.98 -0.33 -2.79 0.00 0.00 177.10 175.12 2q4y h GLU 12 N 8.28 0.78 -0.12 0.43 5.08 -1.94 0.28 114.58 127.37 2q4y h GLU 12 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2q4y h GLU 12 Cb 0.98 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2q4y h GLU 12 CO 1.11 0.52 0.04 0.78 -1.00 0.00 0.00 179.01 180.46 2q4y h GLY 13 N 0.81 0.20 -2.35 -3.84 0.00 -1.94 -2.05 103.07 93.90 2q4y h GLY 13 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2q4y h GLY 13 CO -0.08 0.11 0.00 0.28 0.00 0.00 0.00 176.54 176.85 2q4y n LYS 14 N -4.88 3.07 -3.95 4.80 5.02 -1.17 -4.93 118.16 116.11 2q4y n LYS 14 Ca -0.05 -1.67 -0.29 0.00 -2.02 0.00 0.00 58.31 54.27 2q4y n LYS 14 Cb 0.13 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 2q4y n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2q4y n ARG 15 N 0.33 -2.28 -4.05 1.97 1.74 -0.77 -4.83 116.66 108.78 2q4y n ARG 15 Ca 0.15 0.35 -0.08 0.00 -0.77 0.00 0.00 57.85 57.50 2q4y n ARG 15 Cb 0.75 -4.13 -0.10 0.00 -1.02 0.00 0.00 32.46 27.96 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 -6.62 0.57 -0.18 5.56 1.70 0.03 -1.73 118.95 118.28 2q4y s ARG 16 Ca 0.15 -1.07 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 2q4y s ARG 16 Cb -0.06 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2q4y s ARG 16 CO 0.90 -0.11 -0.02 -0.06 -1.08 0.00 0.00 175.30 174.94 2q4y s PHE 17 N -3.40 3.03 0.36 5.89 0.40 -0.78 0.12 117.98 123.61 2q4y s PHE 17 Ca 0.02 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.82 2q4y s PHE 17 Cb 0.04 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.58 2q4y s PHE 17 CO -0.08 -0.15 0.73 -1.83 0.70 0.00 0.00 175.22 174.58 2q4y s GLU 18 N 0.72 2.12 0.87 0.44 4.04 0.34 -2.83 118.70 124.40 2q4y s GLU 18 Ca -0.01 -1.44 -0.12 0.00 0.04 0.00 0.00 54.97 53.45 2q4y s GLU 18 Cb -0.14 0.59 0.11 0.00 0.02 0.00 0.00 34.13 34.71 2q4y s GLU 18 CO 0.02 -0.97 1.10 0.95 -1.84 0.00 0.00 175.26 174.51 2q4y s THR 19 N -2.64 2.73 0.23 1.83 -4.23 -1.23 0.50 115.64 112.84 2q4y s THR 19 Ca 0.17 0.24 0.18 0.00 -1.18 0.00 0.00 61.69 61.10 2q4y s THR 19 Cb -0.04 -2.83 0.13 0.00 1.34 0.00 0.00 72.50 71.10 2q4y s THR 19 CO 0.12 -0.31 1.78 -0.33 -0.54 0.00 0.00 174.62 175.34 2q4y h GLU 20 N -1.40 0.00 -0.01 3.99 5.08 -1.95 -2.48 114.58 117.82 2q4y h GLU 20 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2q4y h GLU 20 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2q4y h GLU 20 CO 0.57 0.36 0.00 -0.40 -1.00 0.00 0.00 179.01 178.54 2q4y n ASP 21 N -3.65 0.09 -0.94 1.42 5.75 -1.26 -4.87 116.55 113.09 2q4y n ASP 21 Ca -0.01 -1.39 -0.11 0.00 -0.01 0.00 0.00 54.79 53.27 2q4y n ASP 21 Cb 0.47 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.51 2q4y n ASP 21 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2q4y n HIS 22 N -0.76 -0.09 -0.04 2.11 8.25 -0.93 -4.89 115.22 118.87 2q4y n HIS 22 Ca 0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 2q4y n HIS 22 Cb 0.08 -2.62 -0.08 0.00 1.12 0.00 0.00 29.99 28.49 2q4y n HIS 22 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2q4y h GLU 23 N 0.00 0.25 -6.36 -0.41 4.81 -1.89 -3.45 114.58 107.52 2q4y h GLU 23 Ca -0.23 -0.14 -0.66 0.00 -0.13 0.00 0.00 59.36 58.20 2q4y h GLU 23 Cb 1.05 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.31 2q4y h GLU 23 CO 0.33 0.70 -0.67 0.00 -0.73 0.00 0.00 179.01 178.64 2q4y s ALA 24 N -4.14 3.23 0.18 2.92 0.00 -1.26 -4.59 121.76 118.10 2q4y s ALA 24 Ca -0.15 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.46 2q4y s ALA 24 Cb 0.04 -1.16 0.05 0.00 0.00 0.00 0.00 23.12 22.06 2q4y s ALA 24 CO 0.73 0.69 0.80 -0.59 0.00 0.00 0.00 175.76 177.39 2q4y s PHE 25 N -1.27 -0.25 -0.08 0.00 -0.12 -0.44 -3.90 117.98 111.92 2q4y s PHE 25 Ca 0.24 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 2q4y s PHE 25 Cb -0.12 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2q4y s PHE 25 CO 0.17 -0.94 -0.12 -1.50 -0.05 0.00 0.00 175.22 172.78 2q4y s ILE 26 N -3.57 1.14 -0.03 -4.49 2.07 -1.13 -2.51 121.20 112.69 2q4y s ILE 26 Ca 0.09 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.87 2q4y s ILE 26 Cb -0.03 -1.07 -0.04 0.00 0.13 0.00 0.00 42.46 41.46 2q4y s ILE 26 CO -0.00 0.36 0.05 -1.61 -1.91 0.00 0.00 174.94 171.83 2q4y s GLU 27 N 0.89 3.00 0.11 3.50 2.02 -0.61 -1.87 118.70 125.73 2q4y s GLU 27 Ca -0.10 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.43 2q4y s GLU 27 Cb -0.15 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2q4y s GLU 27 CO 0.01 0.66 -0.08 1.52 0.02 0.00 0.00 175.26 177.39 2q4y s TYR 28 N -1.10 0.99 -0.08 1.61 -0.85 -0.70 -1.11 117.35 116.11 2q4y s TYR 28 Ca 0.20 -0.84 0.03 0.00 -0.52 0.00 0.00 57.07 55.94 2q4y s TYR 28 Cb -0.12 -0.55 0.00 0.00 0.38 0.00 0.00 41.96 41.68 2q4y s TYR 28 CO 0.10 -0.08 -0.20 0.21 -1.52 0.00 0.00 175.55 174.07 2q4y s LYS 29 N -3.67 2.49 -0.11 -3.49 2.20 -1.23 -4.76 119.74 111.18 2q4y s LYS 29 Ca 0.12 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 2q4y s LYS 29 Cb 0.04 -1.94 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 2q4y s LYS 29 CO -0.03 0.14 0.96 -1.64 -0.36 0.00 0.00 175.35 174.42 2q4y s MET 30 N 0.42 4.41 0.31 4.03 -1.94 -1.26 -3.41 119.30 121.86 2q4y s MET 30 Ca -0.16 1.31 0.10 0.00 -1.71 0.00 0.00 55.69 55.23 2q4y s MET 30 Cb -0.17 -3.54 -0.06 0.00 2.01 0.00 0.00 34.83 33.07 2q4y s MET 30 CO 0.07 -0.30 -0.13 1.03 -0.01 0.00 0.00 175.02 175.68 2q4y s ARG 31 N 1.96 1.73 -1.27 2.03 0.52 -1.06 -4.76 118.95 118.10 2q4y s ARG 31 Ca 0.46 -1.85 -0.10 0.00 -0.52 0.00 0.00 55.73 53.72 2q4y s ARG 31 Cb -0.18 -1.67 -0.00 0.00 0.52 0.00 0.00 34.95 33.61 2q4y s ARG 31 CO 0.17 0.21 0.63 -1.71 0.02 0.00 0.00 175.30 174.62 2q4y n ASN 32 N -0.70 -2.74 -3.60 0.23 5.15 -1.26 -1.78 115.26 110.56 2q4y n ASN 32 Ca -0.05 -0.99 -0.24 0.00 -0.60 0.00 0.00 54.58 52.70 2q4y n ASN 32 Cb 0.62 -3.32 0.08 0.00 -0.53 0.00 0.00 39.78 36.63 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 -2.84 -5.90 0.00 1.20 3.02 -1.26 -2.23 115.26 107.25 2q4y n ASN 33 Ca -0.21 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2q4y n ASN 33 Cb 0.64 -5.00 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 2q4y n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4y n GLY 34 N -1.92 0.66 0.09 7.41 0.00 -0.99 -4.98 105.19 105.47 2q4y n GLY 34 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.67 0.62 -4.11 1.61 5.02 -0.73 -4.87 118.16 113.02 2q4y n LYS 35 Ca 0.00 0.19 -0.14 0.00 -2.02 0.00 0.00 58.31 56.34 2q4y n LYS 35 Cb 0.00 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.11 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 -2.99 0.71 -0.13 -0.18 1.01 -1.21 -0.73 120.40 116.89 2q4y s VAL 36 Ca -0.03 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.64 2q4y s VAL 36 Cb 0.09 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2q4y s VAL 36 CO 0.81 -0.45 -0.15 -0.32 0.00 0.00 0.00 175.10 174.99 2q4y s MET 37 N -2.10 2.28 -0.42 2.72 1.75 0.86 -2.57 119.30 121.82 2q4y s MET 37 Ca -0.03 -0.57 -0.05 0.00 -1.25 0.00 0.00 55.69 53.79 2q4y s MET 37 Cb -0.07 -2.01 0.11 0.00 2.84 0.00 0.00 34.83 35.69 2q4y s MET 37 CO -0.00 -0.15 0.23 0.34 -0.65 0.00 0.00 175.02 174.80 2q4y s ASP 38 N 1.24 5.39 -0.20 1.11 2.15 -1.22 0.84 116.67 125.98 2q4y s ASP 38 Ca -0.01 -1.91 -0.29 0.00 0.43 0.00 0.00 52.55 50.77 2q4y s ASP 38 Cb -0.14 -1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 2q4y s ASP 38 CO -0.06 -0.57 1.74 -0.76 -0.17 0.00 0.00 175.17 175.35 2q4y s LEU 39 N 1.23 3.87 -0.02 -1.34 1.43 0.73 -3.47 118.68 121.11 2q4y s LEU 39 Ca 0.06 1.75 0.20 0.00 -1.03 0.00 0.00 54.13 55.11 2q4y s LEU 39 Cb -0.24 -3.53 -0.30 0.00 0.03 0.00 0.00 46.19 42.16 2q4y s LEU 39 CO -0.03 -1.36 0.52 1.33 0.23 0.00 0.00 176.35 177.05 2q4y n VAL 40 N 6.55 0.00 -3.64 -1.59 0.24 -0.27 -1.37 118.33 118.26 2q4y n VAL 40 Ca 0.21 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 2q4y n VAL 40 Cb 0.45 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.95 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 -3.32 -0.57 0.03 6.34 5.65 -1.21 -4.39 115.29 117.82 2q4y s HIS 41 Ca -0.05 1.36 0.07 0.00 0.25 0.00 0.00 55.06 56.69 2q4y s HIS 41 Cb 0.13 0.35 -0.02 0.00 -1.18 0.00 0.00 32.58 31.86 2q4y s HIS 41 CO 0.84 -0.27 -0.20 0.99 -0.65 0.00 0.00 174.74 175.45 2q4y s THR 42 N 0.35 1.61 -0.14 0.89 2.01 -1.26 -1.58 115.64 117.53 2q4y s THR 42 Ca 0.02 -1.08 -0.08 0.00 0.31 0.00 0.00 61.69 60.86 2q4y s THR 42 Cb -0.05 -1.39 0.05 0.00 0.01 0.00 0.00 72.50 71.12 2q4y s THR 42 CO -0.05 0.27 0.33 -0.47 -0.69 0.00 0.00 174.62 174.01 2q4y s TYR 43 N -0.70 -0.46 0.01 4.92 5.04 -1.04 -4.98 117.35 120.13 2q4y s TYR 43 Ca 0.07 1.03 0.07 0.00 -2.44 0.00 0.00 57.07 55.80 2q4y s TYR 43 Cb -0.08 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.36 2q4y s TYR 43 CO 0.01 -0.28 -0.20 0.08 -1.34 0.00 0.00 175.55 173.82 2q4y s VAL 44 N 1.25 1.60 0.57 3.14 1.01 -1.26 -1.33 120.40 125.38 2q4y s VAL 44 Ca -0.09 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.71 2q4y s VAL 44 Cb -0.09 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2q4y s VAL 44 CO -0.10 0.36 1.34 -2.16 0.00 0.00 0.00 175.10 174.54 2q4y s PRO 45 N -0.73 2.99 0.44 2.72 0.04 -1.26 -4.80 135.00 134.40 2q4y s PRO 45 Ca 0.08 2.19 0.23 0.00 0.04 0.00 0.00 61.00 63.54 2q4y s PRO 45 Cb -0.08 -2.15 1.23 0.00 0.04 0.00 0.00 34.50 33.54 2q4y s PRO 45 CO 0.00 -1.29 1.78 1.03 0.04 0.00 0.00 177.00 178.56 2q4y h SER 46 N 1.22 0.32 0.08 6.66 0.87 -2.00 -0.03 113.55 120.67 2q4y h SER 46 Ca -0.51 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2q4y h SER 46 Cb 1.31 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2q4y h SER 46 CO 0.56 0.05 -0.37 2.22 -0.53 0.00 0.00 176.83 178.76 2q4y n PHE 47 N -4.52 0.00 0.59 2.24 -1.74 -1.26 -3.80 117.46 108.97 2q4y n PHE 47 Ca 0.25 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.22 2q4y n PHE 47 Cb 0.98 -0.05 0.07 0.00 1.52 0.00 0.00 39.48 42.00 2q4y n PHE 47 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2q4y n LYS 48 N -0.23 1.17 -1.28 3.97 5.02 -0.12 -5.05 118.16 121.64 2q4y n LYS 48 Ca 0.11 -1.44 -0.29 0.00 -2.02 0.00 0.00 58.31 54.67 2q4y n LYS 48 Cb 0.42 -1.29 0.18 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.24 0.26 0.00 1.97 0.52 -0.66 -4.05 118.95 115.75 2q4y s ARG 49 Ca 0.18 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 2q4y s ARG 49 Cb 0.13 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.86 2q4y s ARG 49 CO 0.19 -2.80 0.00 0.41 0.02 0.00 0.00 175.30 173.12 2q4y n GLY 50 N -1.47 0.13 0.99 -3.53 0.00 -1.26 -4.86 105.19 95.18 2q4y n GLY 50 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 4.06 0.00 0.99 4.77 -1.26 -4.99 117.00 120.57 2q4y n LEU 51 Ca 0.00 -3.06 0.00 0.00 -0.03 0.00 0.00 56.01 52.92 2q4y n LEU 51 Cb 0.29 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2q4y n LEU 51 CO 0.00 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2q4y n GLY 52 N -0.47 0.69 0.08 -0.72 0.00 -1.26 -4.98 105.19 98.53 2q4y n GLY 52 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.03 -1.53 0.99 5.85 -1.94 0.33 115.31 118.98 2q4y h LEU 53 Ca 0.00 -0.67 0.11 0.00 0.84 0.00 0.00 57.88 58.16 2q4y h LEU 53 Cb 0.00 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2q4y h LEU 53 CO 0.00 0.76 0.46 0.00 -0.34 0.00 0.00 178.44 179.32 2q4y h ALA 54 N -0.18 1.94 -0.02 1.25 0.00 -1.93 -1.11 119.26 119.22 2q4y h ALA 54 Ca -0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2q4y h ALA 54 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2q4y h ALA 54 CO 0.01 -0.10 -0.90 1.03 0.00 0.00 0.00 179.25 179.29 2q4y h SER 55 N 0.52 0.53 0.23 0.00 0.87 -1.96 -2.53 113.55 111.21 2q4y h SER 55 Ca 0.32 -0.41 -0.09 0.00 -1.23 0.00 0.00 61.79 60.39 2q4y h SER 55 Cb 0.56 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2q4y h SER 55 CO -0.11 1.20 -0.35 0.45 -0.53 0.00 0.00 176.83 177.50 2q4y h HIS 56 N 0.25 0.19 -0.69 2.24 -0.00 -0.10 -1.76 115.15 115.28 2q4y h HIS 56 Ca -0.07 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.21 2q4y h HIS 56 Cb 1.52 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.86 2q4y h HIS 56 CO 0.06 0.50 0.23 -0.07 -0.00 0.00 0.00 177.93 178.65 2q4y h LEU 57 N 0.15 0.98 -0.46 2.43 3.38 -1.05 -2.24 115.31 118.51 2q4y h LEU 57 Ca 0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2q4y h LEU 57 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2q4y h LEU 57 CO 0.05 0.91 0.15 0.00 0.09 0.00 0.00 178.44 179.64 2q4y h VAL 59 N 0.60 0.65 -1.00 0.00 2.07 -1.12 0.42 116.25 117.87 2q4y h VAL 59 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2q4y h VAL 59 Cb 0.26 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 2q4y h VAL 59 CO -0.01 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.24 2q4y h ALA 60 N 0.86 1.31 -0.31 1.67 0.00 -1.31 0.57 119.26 122.05 2q4y h ALA 60 Ca 0.08 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2q4y h ALA 60 Cb 0.29 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2q4y h ALA 60 CO -0.20 0.57 -0.39 0.00 0.00 0.00 0.00 179.25 179.23 2q4y h ALA 61 N 1.40 0.46 -0.48 0.00 0.00 -0.30 -2.64 119.26 117.70 2q4y h ALA 61 Ca 0.39 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2q4y h ALA 61 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2q4y h ALA 61 CO -0.12 0.56 -0.08 0.74 0.00 0.00 0.00 179.25 180.35 2q4y h PHE 62 N 0.57 0.94 -0.46 0.00 -1.00 0.68 -0.42 116.94 117.24 2q4y h PHE 62 Ca 0.04 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.59 2q4y h PHE 62 Cb 0.98 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 2q4y h PHE 62 CO 0.07 0.89 0.05 0.93 -1.61 0.00 0.00 178.31 178.64 2q4y h GLU 63 N 0.78 0.77 -0.31 1.51 4.39 0.19 0.25 114.58 122.16 2q4y h GLU 63 Ca 0.13 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.64 2q4y h GLU 63 Cb 0.58 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2q4y h GLU 63 CO 0.04 0.81 0.14 1.25 -1.16 0.00 0.00 179.01 180.09 2q4y h HIS 64 N 0.63 0.26 -0.19 4.33 2.76 -1.36 0.56 115.15 122.15 2q4y h HIS 64 Ca 0.14 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2q4y h HIS 64 Cb 0.43 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2q4y h HIS 64 CO 0.03 0.14 0.05 0.00 -1.30 0.00 0.00 177.93 176.85 2q4y h ALA 65 N 1.17 0.24 -0.06 5.26 0.00 -0.85 -2.51 119.26 122.52 2q4y h ALA 65 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q4y h ALA 65 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2q4y h ALA 65 CO -0.10 -0.12 0.03 1.03 0.00 0.00 0.00 179.25 180.09 2q4y h SER 66 N 0.12 0.07 -0.02 0.00 0.87 -0.41 0.39 113.55 114.57 2q4y h SER 66 Ca 0.06 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2q4y h SER 66 Cb 0.25 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2q4y h SER 66 CO -0.00 0.10 -0.22 0.77 -0.53 0.00 0.00 176.83 176.96 2q4y h SER 67 N 0.03 0.40 0.61 6.23 4.64 0.19 -3.04 113.55 122.60 2q4y h SER 67 Ca 0.02 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2q4y h SER 67 Cb 0.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2q4y h SER 67 CO -0.00 0.62 -0.13 1.41 -0.87 0.00 0.00 176.83 177.85 2q4y n HIS 68 N -4.16 0.00 -2.39 4.77 8.25 -0.95 -4.95 115.22 115.80 2q4y n HIS 68 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 2q4y n HIS 68 Cb 0.37 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.26 -2.41 -4.90 0.41 7.64 -0.65 -5.06 113.62 107.39 2q4y n SER 69 Ca 0.11 -0.05 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 2q4y n SER 69 Cb 0.30 -1.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.06 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 -2.62 5.35 0.26 0.44 1.01 0.04 -4.97 121.20 120.72 2q4y s ILE 70 Ca 0.06 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.50 2q4y s ILE 70 Cb -0.02 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2q4y s ILE 70 CO 0.07 0.26 0.33 -0.55 0.00 0.00 0.00 174.94 175.06 2q4y s SER 71 N -2.11 6.01 -0.01 3.58 0.15 0.10 -4.36 113.70 117.06 2q4y s SER 71 Ca 0.29 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.92 2q4y s SER 71 Cb -0.13 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 2q4y s SER 71 CO 0.21 -0.13 -0.18 -0.63 1.20 0.00 0.00 173.24 173.71 2q4y s ILE 72 N -2.07 2.73 -0.24 6.45 1.01 -0.13 0.30 121.20 129.25 2q4y s ILE 72 Ca 0.36 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 2q4y s ILE 72 Cb -0.09 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.31 2q4y s ILE 72 CO 0.28 0.48 -0.04 -0.63 0.00 0.00 0.00 174.94 175.03 2q4y s ILE 73 N -0.79 3.21 -1.33 2.92 1.01 0.25 -0.66 121.20 125.81 2q4y s ILE 73 Ca 0.12 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 2q4y s ILE 73 Cb -0.10 -2.53 0.13 0.00 0.01 0.00 0.00 42.46 39.96 2q4y s ILE 73 CO 0.02 0.32 2.11 -0.81 0.00 0.00 0.00 174.94 176.59 2q4y n PRO 74 N 4.76 3.82 -0.07 2.79 -0.04 -1.26 -0.19 135.00 144.81 2q4y n PRO 74 Ca -0.17 -3.34 -0.14 0.00 -0.04 0.00 0.00 63.50 59.80 2q4y n PRO 74 Cb 0.49 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 31.03 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 5.41 0.74 -4.15 3.54 0.02 -1.79 -3.37 113.55 113.95 2q4y h SER 75 Ca 0.52 -0.54 -0.49 0.00 -0.84 0.00 0.00 61.79 60.44 2q4y h SER 75 Cb 0.52 -0.21 0.15 0.00 0.14 0.00 0.00 62.40 62.99 2q4y h SER 75 CO 1.62 1.14 0.27 0.00 -1.14 0.00 0.00 176.83 178.72 2q4y h SER 77 N -1.44 -0.04 -0.93 0.00 0.02 -1.89 0.10 113.55 109.37 2q4y h SER 77 Ca -0.47 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 60.74 2q4y h SER 77 Cb 1.27 0.01 -0.17 0.00 0.14 0.00 0.00 62.40 63.65 2q4y h SER 77 CO 0.53 -0.02 0.10 0.22 -1.14 0.00 0.00 176.83 176.52 2q4y h TYR 78 N -0.04 0.09 -0.12 3.45 3.20 -1.95 0.17 116.97 121.78 2q4y h TYR 78 Ca -0.00 0.06 -0.19 0.00 3.14 0.00 0.00 58.73 61.74 2q4y h TYR 78 Cb 0.03 0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.42 2q4y h TYR 78 CO 0.05 -0.36 -0.65 0.28 -1.64 0.00 0.00 178.16 175.84 2q4y h VAL 79 N 0.07 1.32 -0.11 1.81 2.07 -1.84 -1.89 116.25 117.68 2q4y h VAL 79 Ca 0.58 -1.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 2q4y h VAL 79 Cb 1.20 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2q4y h VAL 79 CO -0.82 0.59 -0.12 0.77 0.02 0.00 0.00 177.57 178.01 2q4y h SER 80 N 0.33 0.29 0.22 0.57 4.64 0.19 -2.54 113.55 117.25 2q4y h SER 80 Ca -0.05 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2q4y h SER 80 Cb 1.29 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2q4y h SER 80 CO 0.13 0.72 -0.35 0.47 -0.87 0.00 0.00 176.83 176.94 2q4y n ASP 81 N -4.62 1.10 0.00 4.97 8.00 -0.24 -4.44 116.55 121.31 2q4y n ASP 81 Ca -0.07 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2q4y n ASP 81 Cb 0.34 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 -0.70 0.00 -0.07 -3.53 -1.04 -0.86 -4.89 114.28 103.18 2q4y n THR 82 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.01 2q4y n THR 82 Cb 0.36 -0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.00 0.00 -0.40 -1.42 3.57 -0.92 -3.22 116.94 114.55 2q4y h PHE 83 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2q4y h PHE 83 Cb 0.40 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2q4y h PHE 83 CO 0.00 0.70 0.24 -0.07 -2.23 0.00 0.00 178.31 176.95 2q4y h LEU 84 N -1.00 0.38 -1.92 0.59 3.38 -1.76 -1.10 115.31 113.89 2q4y h LEU 84 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2q4y h LEU 84 Cb 0.75 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2q4y h LEU 84 CO -0.05 0.28 -0.08 -0.65 0.09 0.00 0.00 178.44 178.02 2q4y h PRO 85 N 0.48 0.00 0.00 1.13 0.11 -1.81 0.20 132.00 132.11 2q4y h PRO 85 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2q4y h PRO 85 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2q4y h PRO 85 CO -0.07 0.08 -0.86 -0.09 -0.21 0.00 0.00 178.00 176.84 2q4y h ARG 86 N 0.00 0.00 -2.08 1.05 9.65 -1.50 -3.35 114.38 118.15 2q4y h ARG 86 Ca -0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 2q4y h ARG 86 Cb 0.14 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.32 2q4y h ARG 86 CO 0.01 0.00 -0.99 0.09 2.80 0.00 0.00 179.97 181.88 2q4y n ASN 87 N -2.63 1.73 0.29 -3.80 3.02 -0.10 -4.95 115.26 108.82 2q4y n ASN 87 Ca 0.01 -3.11 0.16 0.00 -0.03 0.00 0.00 54.58 51.61 2q4y n ASN 87 Cb 0.53 -0.62 0.86 0.00 -0.61 0.00 0.00 39.78 39.94 2q4y n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2q4y h PRO 88 N 3.42 0.00 0.00 3.52 0.13 -1.28 0.45 132.00 138.25 2q4y h PRO 88 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2q4y h PRO 88 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2q4y h PRO 88 CO 0.59 0.00 -0.08 0.66 -0.23 0.00 0.00 178.00 178.94 2q4y h SER 89 N 0.00 0.00 0.90 1.44 4.64 -1.92 -2.25 113.55 116.35 2q4y h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q4y h SER 89 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2q4y h SER 89 CO 0.00 0.08 -0.22 0.79 -0.87 0.00 0.00 176.83 176.61 2q4y n TRP 90 N -4.08 0.19 0.20 4.77 7.02 0.15 -4.06 117.44 121.64 2q4y n TRP 90 Ca -0.03 0.06 0.15 0.00 -1.02 0.00 0.00 57.50 56.66 2q4y n TRP 90 Cb 0.17 -0.50 0.77 0.00 -2.42 0.00 0.00 31.31 29.33 2q4y n TRP 90 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2q4y h LYS 91 N 0.00 0.00 0.00 -0.99 1.57 -1.54 0.49 116.57 116.10 2q4y h LYS 91 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2q4y h LYS 91 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2q4y h LYS 91 CO 0.00 0.00 -0.07 -1.35 -0.57 0.00 0.00 179.45 177.46 2q4y h PRO 92 N 0.00 0.00 0.00 3.15 0.11 -1.78 -2.00 132.00 131.47 2q4y h PRO 92 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2q4y h PRO 92 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2q4y h PRO 92 CO -0.00 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.13 2q4y n LEU 93 N -3.43 0.00 -4.68 2.35 7.99 0.16 -4.81 117.00 114.59 2q4y n LEU 93 Ca -0.02 0.26 -0.42 0.00 -0.01 0.00 0.00 56.01 55.83 2q4y n LEU 93 Cb 0.20 -0.26 -0.04 0.00 -0.11 0.00 0.00 43.42 43.22 2q4y n LEU 93 CO 0.27 -0.13 0.65 -0.63 -1.51 0.00 0.00 177.39 176.05 2q4y s ILE 94 N -2.52 4.87 -0.97 -0.08 -1.09 -0.76 -0.96 121.20 119.69 2q4y s ILE 94 Ca 0.16 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.34 2q4y s ILE 94 Cb 0.11 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2q4y s ILE 94 CO 0.24 0.05 0.24 1.57 -1.23 0.00 0.00 174.94 175.81