#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q44 s PRO 6 N 0.00 2.20 -0.05 0.52 0.04 -1.26 -4.93 135.00 131.52 2q44 s PRO 6 Ca 0.00 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.64 2q44 s PRO 6 Cb 0.00 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2q44 s PRO 6 CO 0.00 -1.81 0.84 0.21 0.04 0.00 0.00 177.00 176.28 2q44 s LYS 7 N -3.76 4.48 -0.21 4.56 2.47 -1.26 -4.99 119.74 121.03 2q44 s LYS 7 Ca 0.77 1.14 -0.04 0.00 -1.56 0.00 0.00 55.97 56.28 2q44 s LYS 7 Cb -0.32 -3.46 -0.01 0.00 -1.46 0.00 0.00 37.83 32.57 2q44 s LYS 7 CO 0.44 -0.02 -0.03 0.42 0.16 0.00 0.00 175.35 176.32 2q44 s ILE 8 N 1.02 3.53 0.33 5.43 1.01 -1.26 -3.25 121.20 128.00 2q44 s ILE 8 Ca 0.44 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2q44 s ILE 8 Cb -0.19 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 2q44 s ILE 8 CO 0.22 0.42 0.47 0.68 0.00 0.00 0.00 174.94 176.73 2q44 s VAL 9 N 1.36 4.27 -0.36 2.92 -7.23 0.44 -4.92 120.40 116.88 2q44 s VAL 9 Ca 0.04 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.15 2q44 s VAL 9 Cb -0.14 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.31 2q44 s VAL 9 CO -0.01 -0.20 0.21 0.86 -0.31 0.00 0.00 175.10 175.65 2q44 s TRP 10 N -2.18 3.22 -0.69 2.82 -0.00 -1.26 -0.70 118.94 120.15 2q44 s TRP 10 Ca 0.43 -0.64 -0.03 0.00 -0.00 0.00 0.00 56.10 55.86 2q44 s TRP 10 Cb -0.09 -2.45 0.18 0.00 -0.00 0.00 0.00 33.47 31.10 2q44 s TRP 10 CO 0.31 -0.53 0.52 1.21 -0.00 0.00 0.00 176.95 178.47 2q44 s ASN 11 N 1.62 5.43 0.41 5.86 3.84 0.19 -4.92 114.94 127.38 2q44 s ASN 11 Ca 0.04 -3.05 0.08 0.00 0.21 0.00 0.00 52.86 50.14 2q44 s ASN 11 Cb -0.18 -1.88 0.87 0.00 -0.55 0.00 0.00 41.25 39.51 2q44 s ASN 11 CO 0.08 -0.33 2.04 -0.33 -2.79 0.00 0.00 177.10 175.77 2q44 h GLU 12 N 6.82 0.47 0.00 0.43 5.08 -1.95 -0.70 114.58 124.73 2q44 h GLU 12 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2q44 h GLU 12 Cb 0.92 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2q44 h GLU 12 CO 0.74 0.34 0.00 0.78 -1.00 0.00 0.00 179.01 179.87 2q44 h GLY 13 N 0.54 0.00 0.00 -3.84 0.00 -1.93 0.89 103.07 98.73 2q44 h GLY 13 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2q44 h GLY 13 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 2q44 n LYS 14 N -2.66 2.38 -2.01 4.80 5.02 -0.40 -5.00 118.16 120.29 2q44 n LYS 14 Ca -0.02 -1.33 -0.10 0.00 -2.02 0.00 0.00 58.31 54.85 2q44 n LYS 14 Cb 0.09 -0.98 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2q44 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2q44 n ARG 15 N -0.42 -1.94 -4.34 1.97 1.74 0.31 -4.86 116.66 109.12 2q44 n ARG 15 Ca 0.00 0.51 -0.21 0.00 -0.77 0.00 0.00 57.85 57.38 2q44 n ARG 15 Cb 0.23 -4.94 -0.11 0.00 -1.02 0.00 0.00 32.46 26.63 2q44 n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2q44 s ARG 16 N -4.18 1.31 0.07 5.56 1.70 -0.79 -1.86 118.95 120.76 2q44 s ARG 16 Ca 0.00 -1.48 -0.13 0.00 -0.47 0.00 0.00 55.73 53.65 2q44 s ARG 16 Cb 0.00 -1.28 -0.06 0.00 -0.57 0.00 0.00 34.95 33.04 2q44 s ARG 16 CO 0.00 0.25 0.44 -0.06 -1.08 0.00 0.00 175.30 174.85 2q44 s PHE 17 N -2.36 3.64 0.06 5.89 0.40 -0.21 -0.64 117.98 124.77 2q44 s PHE 17 Ca 0.18 0.94 -0.14 0.00 -0.60 0.00 0.00 56.93 57.31 2q44 s PHE 17 Cb -0.04 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.25 2q44 s PHE 17 CO 0.07 0.54 0.33 -1.83 0.70 0.00 0.00 175.22 175.03 2q44 s GLU 18 N -1.62 0.87 0.95 0.44 -1.05 0.12 -0.20 118.70 118.21 2q44 s GLU 18 Ca 0.31 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 54.47 2q44 s GLU 18 Cb -0.15 0.38 0.16 0.00 -0.44 0.00 0.00 34.13 34.08 2q44 s GLU 18 CO 0.17 -0.29 1.10 0.95 0.95 0.00 0.00 175.26 178.13 2q44 s THR 19 N -2.85 2.39 0.35 1.83 -4.23 -0.47 0.16 115.64 112.82 2q44 s THR 19 Ca -0.03 0.13 0.15 0.00 -1.18 0.00 0.00 61.69 60.76 2q44 s THR 19 Cb 0.00 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.62 2q44 s THR 19 CO -0.05 -0.16 1.84 -0.33 -0.54 0.00 0.00 174.62 175.38 2q44 h GLU 20 N -1.86 0.00 0.00 3.99 5.08 -1.90 0.15 114.58 120.04 2q44 h GLU 20 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2q44 h GLU 20 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2q44 h GLU 20 CO 0.48 0.35 0.00 -0.40 -1.00 0.00 0.00 179.01 178.44 2q44 n ASP 21 N -3.98 0.00 0.00 1.42 5.68 -1.26 -4.88 116.55 113.54 2q44 n ASP 21 Ca -0.02 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 2q44 n ASP 21 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2q44 n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2q44 n HIS 22 N -0.64 0.00 0.10 2.11 8.25 0.54 -4.87 115.22 120.71 2q44 n HIS 22 Ca 0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.56 2q44 n HIS 22 Cb 0.03 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 30.86 2q44 n HIS 22 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2q44 h GLU 23 N 1.85 0.00 -5.87 -0.41 4.39 -1.90 -3.44 114.58 109.21 2q44 h GLU 23 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 2q44 h GLU 23 Cb 0.00 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.35 2q44 h GLU 23 CO 0.00 0.34 -0.86 0.00 -1.16 0.00 0.00 179.01 177.34 2q44 s ALA 24 N -3.01 1.74 0.16 3.43 0.00 -1.26 -4.33 121.76 118.49 2q44 s ALA 24 Ca 0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2q44 s ALA 24 Cb 0.08 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2q44 s ALA 24 CO 0.77 0.39 0.58 -0.59 0.00 0.00 0.00 175.76 176.91 2q44 s PHE 25 N -0.33 -0.49 -0.05 0.00 -0.12 -0.54 -1.37 117.98 115.09 2q44 s PHE 25 Ca 0.04 0.26 0.06 0.00 -0.05 0.00 0.00 56.93 57.24 2q44 s PHE 25 Cb -0.10 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 2q44 s PHE 25 CO 0.00 -0.84 -0.23 -1.50 -0.05 0.00 0.00 175.22 172.60 2q44 s ILE 26 N -3.76 1.86 0.10 -4.49 2.07 0.72 -0.02 121.20 117.68 2q44 s ILE 26 Ca 0.02 -0.97 0.01 0.00 -1.41 0.00 0.00 60.65 58.29 2q44 s ILE 26 Cb -0.01 -1.57 -0.04 0.00 0.13 0.00 0.00 42.46 40.97 2q44 s ILE 26 CO -0.12 0.52 0.24 -0.70 -1.91 0.00 0.00 174.94 172.97 2q44 s GLU 27 N -0.21 3.43 0.00 3.50 2.12 0.79 -1.05 118.70 127.29 2q44 s GLU 27 Ca -0.01 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2q44 s GLU 27 Cb -0.12 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2q44 s GLU 27 CO 0.02 0.57 0.00 2.48 -0.54 0.00 0.00 175.26 177.80 2q44 n TYR 28 N -0.04 -0.01 -3.64 5.30 0.18 -0.78 -1.36 117.16 116.82 2q44 n TYR 28 Ca -0.06 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.65 2q44 n TYR 28 Cb 0.52 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.41 2q44 n TYR 28 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2q44 s LYS 29 N 0.90 0.59 -0.25 -3.48 1.02 0.08 -4.85 119.74 113.75 2q44 s LYS 29 Ca 0.00 0.89 -0.17 0.00 0.02 0.00 0.00 55.97 56.71 2q44 s LYS 29 Cb 0.00 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.47 2q44 s LYS 29 CO 0.00 -0.10 0.46 -1.64 -0.92 0.00 0.00 175.35 173.15 2q44 s MET 30 N 1.04 4.08 0.30 1.68 -1.94 -1.26 0.07 119.30 123.25 2q44 s MET 30 Ca -0.05 0.24 0.07 0.00 -1.71 0.00 0.00 55.69 54.24 2q44 s MET 30 Cb -0.05 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 2q44 s MET 30 CO -0.12 -0.28 0.24 1.03 -0.01 0.00 0.00 175.02 175.88 2q44 s ARG 31 N 2.07 2.80 -0.92 2.03 1.81 -0.29 -4.83 118.95 121.62 2q44 s ARG 31 Ca 0.19 -1.19 -0.08 0.00 -1.72 0.00 0.00 55.73 52.93 2q44 s ARG 31 Cb -0.16 -2.50 -0.00 0.00 -0.45 0.00 0.00 34.95 31.84 2q44 s ARG 31 CO 0.09 0.24 0.71 -1.71 -0.68 0.00 0.00 175.30 173.95 2q44 n ASN 32 N -1.27 -5.99 -4.00 0.23 5.15 -1.26 -1.97 115.26 106.14 2q44 n ASN 32 Ca -0.05 -0.70 -0.31 0.00 -0.60 0.00 0.00 54.58 52.92 2q44 n ASN 32 Cb 0.59 -3.51 0.00 0.00 -0.53 0.00 0.00 39.78 36.34 2q44 n ASN 32 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2q44 n ASN 33 N -2.39 -3.52 0.00 1.20 4.13 -1.26 -1.69 115.26 111.73 2q44 n ASN 33 Ca -0.13 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.25 2q44 n ASN 33 Cb 0.59 -3.45 0.00 0.00 -1.54 0.00 0.00 39.78 35.38 2q44 n ASN 33 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2q44 n GLY 34 N -1.62 2.28 0.00 7.41 0.00 -1.21 -4.87 105.19 107.18 2q44 n GLY 34 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2q44 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q44 n LYS 35 N -2.00 0.01 -4.20 1.61 5.02 -0.68 -4.74 118.16 113.19 2q44 n LYS 35 Ca 0.00 -0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 2q44 n LYS 35 Cb 0.00 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.34 2q44 n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q44 s VAL 36 N -2.99 0.76 -0.30 -0.18 1.01 -0.83 -2.00 120.40 115.87 2q44 s VAL 36 Ca 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2q44 s VAL 36 Cb 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.82 2q44 s VAL 36 CO 0.56 0.29 0.07 -0.32 0.00 0.00 0.00 175.10 175.70 2q44 s MET 37 N 1.09 2.98 -0.14 2.72 1.75 0.33 -1.14 119.30 126.90 2q44 s MET 37 Ca -0.08 -0.93 -0.17 0.00 -1.25 0.00 0.00 55.69 53.27 2q44 s MET 37 Cb -0.14 -3.35 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 2q44 s MET 37 CO -0.01 -0.48 0.42 0.34 -0.65 0.00 0.00 175.02 174.64 2q44 s ASP 38 N 1.46 6.60 -0.41 1.11 2.15 0.11 -1.61 116.67 126.09 2q44 s ASP 38 Ca 0.02 0.71 -0.18 0.00 0.43 0.00 0.00 52.55 53.53 2q44 s ASP 38 Cb -0.18 -2.25 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2q44 s ASP 38 CO 0.02 0.02 0.46 -0.76 -0.17 0.00 0.00 175.17 174.75 2q44 s LEU 39 N 0.62 4.71 -0.15 -1.34 1.43 0.13 -0.74 118.68 123.33 2q44 s LEU 39 Ca 0.23 -0.51 0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2q44 s LEU 39 Cb -0.14 -2.45 -0.17 0.00 0.03 0.00 0.00 46.19 43.45 2q44 s LEU 39 CO 0.08 -0.57 0.02 1.33 0.23 0.00 0.00 176.35 177.45 2q44 n VAL 40 N 5.47 1.02 -3.65 -1.59 0.24 -0.47 -0.73 118.33 118.62 2q44 n VAL 40 Ca -0.06 -0.60 -0.05 0.00 -2.04 0.00 0.00 64.34 61.59 2q44 n VAL 40 Cb 0.48 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 32.11 2q44 n VAL 40 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2q44 s HIS 41 N -2.36 -1.15 -0.19 6.34 5.65 -1.17 -3.55 115.29 118.87 2q44 s HIS 41 Ca -0.10 2.12 -0.07 0.00 0.25 0.00 0.00 55.06 57.27 2q44 s HIS 41 Cb 0.05 0.67 -0.04 0.00 -1.18 0.00 0.00 32.58 32.07 2q44 s HIS 41 CO 0.58 -0.58 0.05 0.99 -0.65 0.00 0.00 174.74 175.14 2q44 s THR 42 N 2.31 4.60 -0.12 0.89 2.01 -1.26 -0.15 115.64 123.92 2q44 s THR 42 Ca -0.07 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2q44 s THR 42 Cb -0.09 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.37 2q44 s THR 42 CO -0.18 0.44 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.68 2q44 s TYR 43 N 0.63 1.17 -0.11 4.92 5.04 0.97 -4.97 117.35 125.00 2q44 s TYR 43 Ca 0.03 -0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 54.04 2q44 s TYR 43 Cb -0.13 -1.07 0.03 0.00 0.35 0.00 0.00 41.96 41.14 2q44 s TYR 43 CO 0.02 -0.48 -0.04 0.08 -1.34 0.00 0.00 175.55 173.79 2q44 s VAL 44 N 1.81 0.81 0.71 3.14 1.01 -1.26 -1.47 120.40 125.14 2q44 s VAL 44 Ca 0.03 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2q44 s VAL 44 Cb -0.13 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.35 2q44 s VAL 44 CO -0.07 0.27 1.23 -2.16 0.00 0.00 0.00 175.10 174.37 2q44 s PRO 45 N 1.79 2.24 0.39 2.72 0.04 -1.26 -4.85 135.00 136.07 2q44 s PRO 45 Ca 0.04 1.86 0.15 0.00 0.04 0.00 0.00 61.00 63.09 2q44 s PRO 45 Cb -0.13 -1.83 1.02 0.00 0.04 0.00 0.00 34.50 33.59 2q44 s PRO 45 CO -0.07 -1.78 1.83 0.77 0.04 0.00 0.00 177.00 177.79 2q44 h SER 46 N -0.05 0.49 0.83 6.66 0.02 -1.99 -0.36 113.55 119.16 2q44 h SER 46 Ca -0.49 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2q44 h SER 46 Cb 1.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2q44 h SER 46 CO 0.51 0.18 0.00 2.22 -1.14 0.00 0.00 176.83 178.60 2q44 n PHE 47 N -4.56 0.63 -0.08 3.45 -1.74 -1.26 -1.77 117.46 112.13 2q44 n PHE 47 Ca 0.21 0.23 0.10 0.00 -0.56 0.00 0.00 57.45 57.43 2q44 n PHE 47 Cb 0.69 -0.87 0.23 0.00 1.52 0.00 0.00 39.48 41.05 2q44 n PHE 47 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2q44 n LYS 48 N -2.06 2.57 -2.02 3.97 5.02 -0.16 -5.02 118.16 120.47 2q44 n LYS 48 Ca 0.03 -2.32 -0.33 0.00 -2.02 0.00 0.00 58.31 53.67 2q44 n LYS 48 Cb 0.26 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2q44 n LYS 48 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2q44 s ARG 49 N -1.14 3.19 0.00 1.97 0.52 -0.73 -3.85 118.95 118.92 2q44 s ARG 49 Ca 0.38 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.92 2q44 s ARG 49 Cb 0.21 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2q44 s ARG 49 CO 0.28 -0.93 0.00 0.41 0.02 0.00 0.00 175.30 175.07 2q44 n GLY 50 N -0.62 0.74 0.63 -3.53 0.00 -1.26 -4.90 105.19 96.24 2q44 n GLY 50 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2q44 n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q44 n LEU 51 N 0.00 2.97 -0.19 0.99 4.77 -1.25 -4.96 117.00 119.33 2q44 n LEU 51 Ca 0.00 -2.11 -0.03 0.00 -0.03 0.00 0.00 56.01 53.84 2q44 n LEU 51 Cb 0.00 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2q44 n LEU 51 CO 0.00 0.71 -0.02 0.61 -1.33 0.00 0.00 177.39 177.36 2q44 n GLY 52 N 0.34 0.44 0.36 -0.72 0.00 -1.26 -4.92 105.19 99.42 2q44 n GLY 52 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2q44 n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2q44 h LEU 53 N 0.00 1.07 -0.39 0.99 3.38 -1.93 -1.04 115.31 117.39 2q44 h LEU 53 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2q44 h LEU 53 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2q44 h LEU 53 CO 0.08 0.76 0.25 0.00 0.09 0.00 0.00 178.44 179.62 2q44 h ALA 54 N 1.36 0.50 -0.46 1.53 0.00 -1.94 0.44 119.26 120.68 2q44 h ALA 54 Ca 0.35 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2q44 h ALA 54 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2q44 h ALA 54 CO -0.09 -0.03 -0.03 0.77 0.00 0.00 0.00 179.25 179.88 2q44 h SER 55 N 0.52 0.82 -0.83 0.00 0.02 -1.92 -0.94 113.55 111.23 2q44 h SER 55 Ca 0.14 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2q44 h SER 55 Cb -0.03 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 2q44 h SER 55 CO -0.03 0.95 0.51 0.45 -1.14 0.00 0.00 176.83 177.57 2q44 h HIS 56 N 0.68 0.95 -0.41 3.45 -0.00 -0.75 0.23 115.15 119.30 2q44 h HIS 56 Ca 0.13 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.42 2q44 h HIS 56 Cb 0.54 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 2q44 h HIS 56 CO 0.04 0.49 -0.19 -0.07 -0.00 0.00 0.00 177.93 178.20 2q44 h LEU 57 N 0.94 0.79 -0.57 2.43 3.38 0.07 -0.50 115.31 121.84 2q44 h LEU 57 Ca 0.36 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2q44 h LEU 57 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2q44 h LEU 57 CO -0.17 0.97 -0.16 0.00 0.09 0.00 0.00 178.44 179.17 2q44 h VAL 59 N 0.85 1.02 -0.52 0.00 2.07 -0.40 0.18 116.25 119.45 2q44 h VAL 59 Ca 0.12 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2q44 h VAL 59 Cb 0.72 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2q44 h VAL 59 CO 0.06 0.17 0.21 0.00 0.02 0.00 0.00 177.57 178.03 2q44 h ALA 60 N 1.42 0.65 -0.23 1.67 0.00 -0.38 0.64 119.26 123.03 2q44 h ALA 60 Ca 0.38 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 2q44 h ALA 60 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2q44 h ALA 60 CO -0.19 -0.18 -0.49 0.00 0.00 0.00 0.00 179.25 178.39 2q44 h ALA 61 N 1.34 0.36 -0.51 0.00 0.00 -0.55 -1.22 119.26 118.68 2q44 h ALA 61 Ca 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2q44 h ALA 61 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2q44 h ALA 61 CO -0.24 0.53 0.23 0.74 0.00 0.00 0.00 179.25 180.51 2q44 h PHE 62 N 0.46 0.76 -0.70 0.00 -1.00 -0.39 0.06 116.94 116.13 2q44 h PHE 62 Ca 0.00 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.75 2q44 h PHE 62 Cb 1.10 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 40.39 2q44 h PHE 62 CO 0.08 0.62 0.45 0.93 -1.61 0.00 0.00 178.31 178.78 2q44 h GLU 63 N 0.69 0.87 -0.08 1.51 4.39 -0.84 0.39 114.58 121.50 2q44 h GLU 63 Ca 0.17 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2q44 h GLU 63 Cb 0.16 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2q44 h GLU 63 CO -0.02 0.57 0.06 1.25 -1.16 0.00 0.00 179.01 179.71 2q44 h HIS 64 N 0.89 0.11 -0.30 4.33 2.76 -1.04 0.70 115.15 122.60 2q44 h HIS 64 Ca 0.27 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2q44 h HIS 64 Cb -0.04 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2q44 h HIS 64 CO -0.03 0.08 0.04 0.00 -1.30 0.00 0.00 177.93 176.71 2q44 h ALA 65 N 1.02 0.40 -0.73 5.26 0.00 -0.77 -1.76 119.26 122.68 2q44 h ALA 65 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2q44 h ALA 65 Cb -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2q44 h ALA 65 CO -0.01 0.10 0.40 1.03 0.00 0.00 0.00 179.25 180.78 2q44 h SER 66 N 0.32 0.58 0.25 0.00 0.87 -0.41 -0.20 113.55 114.96 2q44 h SER 66 Ca 0.09 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2q44 h SER 66 Cb 0.35 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2q44 h SER 66 CO 0.01 0.35 -0.19 -1.28 -0.53 0.00 0.00 176.83 175.19 2q44 h SER 67 N 0.71 0.00 -0.61 6.23 0.87 0.74 -2.84 113.55 118.65 2q44 h SER 67 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2q44 h SER 67 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2q44 h SER 67 CO -0.22 0.19 0.00 1.41 -0.53 0.00 0.00 176.83 177.68 2q44 n HIS 68 N -4.11 1.15 -2.38 2.24 8.25 -0.64 -5.00 115.22 114.74 2q44 n HIS 68 Ca -0.02 -0.58 -0.20 0.00 -0.26 0.00 0.00 57.72 56.66 2q44 n HIS 68 Cb 0.26 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 2q44 n HIS 68 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2q44 n SER 69 N 1.12 -5.81 -4.89 0.41 7.64 -0.18 -5.02 113.62 106.89 2q44 n SER 69 Ca 0.23 -0.01 -0.30 0.00 1.01 0.00 0.00 58.87 59.80 2q44 n SER 69 Cb 0.74 -4.83 -0.04 0.00 -1.01 0.00 0.00 64.21 59.08 2q44 n SER 69 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2q44 s ILE 70 N -3.02 4.94 -0.04 0.44 1.01 -0.73 -4.91 121.20 118.88 2q44 s ILE 70 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.97 2q44 s ILE 70 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2q44 s ILE 70 CO 0.00 -0.33 -0.09 -0.94 0.00 0.00 0.00 174.94 173.58 2q44 s SER 71 N -3.01 4.43 -0.03 3.58 1.04 -0.85 -4.39 113.70 114.46 2q44 s SER 71 Ca 0.47 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 2q44 s SER 71 Cb -0.11 -1.03 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 2q44 s SER 71 CO 0.28 0.34 0.17 -0.63 0.98 0.00 0.00 173.24 174.39 2q44 s ILE 72 N -0.83 5.45 -0.16 -1.02 -1.09 -0.57 -0.51 121.20 122.47 2q44 s ILE 72 Ca 0.13 -0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 2q44 s ILE 72 Cb -0.11 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2q44 s ILE 72 CO 0.02 0.39 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.48 2q44 s ILE 73 N -1.26 4.12 -1.25 2.92 -1.09 -0.63 -1.01 121.20 122.99 2q44 s ILE 73 Ca 0.25 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.32 2q44 s ILE 73 Cb -0.12 -2.82 0.18 0.00 -1.58 0.00 0.00 42.46 38.12 2q44 s ILE 73 CO 0.15 0.49 1.97 -0.81 -1.23 0.00 0.00 174.94 175.51 2q44 n PRO 74 N 3.51 4.13 -0.03 2.79 -0.04 -1.26 -0.69 135.00 143.41 2q44 n PRO 74 Ca -0.17 -3.72 -0.14 0.00 -0.04 0.00 0.00 63.50 59.43 2q44 n PRO 74 Cb 0.52 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 2q44 n PRO 74 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2q44 h SER 75 N 5.28 0.85 -3.94 3.54 0.02 -1.64 -3.37 113.55 114.28 2q44 h SER 75 Ca 0.46 -0.51 -0.52 0.00 -0.84 0.00 0.00 61.79 60.39 2q44 h SER 75 Cb 0.51 -0.25 0.06 0.00 0.14 0.00 0.00 62.40 62.87 2q44 h SER 75 CO 1.52 1.29 0.55 0.00 -1.14 0.00 0.00 176.83 179.05 2q44 h SER 77 N 2.70 0.00 -0.13 0.00 4.64 -1.84 -2.09 113.55 116.83 2q44 h SER 77 Ca -0.49 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 2q44 h SER 77 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2q44 h SER 77 CO 0.63 0.20 -0.38 0.22 -0.87 0.00 0.00 176.83 176.62 2q44 h TYR 78 N 0.00 0.77 0.00 4.77 3.20 -1.93 0.83 116.97 124.61 2q44 h TYR 78 Ca -0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2q44 h TYR 78 Cb 0.37 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2q44 h TYR 78 CO 0.00 0.93 0.00 0.28 -1.64 0.00 0.00 178.16 177.73 2q44 n VAL 79 N -4.04 0.00 0.11 1.81 0.31 -1.18 0.41 118.33 115.75 2q44 n VAL 79 Ca -0.02 1.12 0.06 0.00 -0.01 0.00 0.00 64.34 65.50 2q44 n VAL 79 Cb 0.51 -2.09 0.52 0.00 -0.91 0.00 0.00 33.84 31.87 2q44 n VAL 79 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2q44 h SER 80 N 0.00 0.26 0.00 4.52 4.64 -1.34 -0.19 113.55 121.44 2q44 h SER 80 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2q44 h SER 80 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2q44 h SER 80 CO 0.00 0.19 -1.03 0.47 -0.87 0.00 0.00 176.83 175.59 2q44 n ASP 81 N -4.50 0.83 0.00 4.97 8.00 0.28 -4.33 116.55 121.80 2q44 n ASP 81 Ca 0.01 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2q44 n ASP 81 Cb 0.09 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 2q44 n ASP 81 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2q44 n THR 82 N -1.55 0.04 0.31 -3.53 -1.04 -0.25 -4.73 114.28 103.54 2q44 n THR 82 Ca 0.02 0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.88 2q44 n THR 82 Cb 0.32 -1.46 -0.09 0.00 -1.82 0.00 0.00 70.33 67.28 2q44 n THR 82 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2q44 h PHE 83 N 0.00 -0.69 -0.42 -1.42 3.57 0.65 -3.18 116.94 115.46 2q44 h PHE 83 Ca 0.00 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2q44 h PHE 83 Cb 0.93 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2q44 h PHE 83 CO 0.00 -0.43 0.01 -0.07 -2.23 0.00 0.00 178.31 175.59 2q44 h LEU 84 N -0.74 0.71 -1.58 0.59 3.38 -1.26 -0.49 115.31 115.93 2q44 h LEU 84 Ca -0.08 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2q44 h LEU 84 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2q44 h LEU 84 CO 0.12 0.84 -0.18 -0.65 0.09 0.00 0.00 178.44 178.67 2q44 h PRO 85 N 0.57 0.00 0.00 1.13 0.11 -1.76 -2.32 132.00 129.73 2q44 h PRO 85 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2q44 h PRO 85 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2q44 h PRO 85 CO 0.02 0.18 -0.48 0.00 -0.21 0.00 0.00 178.00 177.51 2q44 h ARG 86 N 0.00 0.00 -2.10 1.05 3.08 -1.50 -3.38 114.38 111.53 2q44 h ARG 86 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2q44 h ARG 86 Cb 0.51 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.16 2q44 h ARG 86 CO 0.02 0.00 -0.88 0.09 -1.07 0.00 0.00 179.97 178.13 2q44 n ASN 87 N -2.82 1.74 0.27 7.04 3.02 -0.20 -4.94 115.26 119.37 2q44 n ASN 87 Ca 0.02 -3.02 0.15 0.00 -0.03 0.00 0.00 54.58 51.70 2q44 n ASN 87 Cb 0.53 -0.65 0.74 0.00 -0.61 0.00 0.00 39.78 39.79 2q44 n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2q44 h PRO 88 N 4.12 0.00 0.00 3.52 0.13 -1.72 -2.09 132.00 135.96 2q44 h PRO 88 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2q44 h PRO 88 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2q44 h PRO 88 CO 0.62 0.09 0.00 0.66 -0.23 0.00 0.00 178.00 179.15 2q44 h SER 89 N 0.00 0.00 0.35 1.44 4.64 -1.92 -0.03 113.55 118.03 2q44 h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q44 h SER 89 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2q44 h SER 89 CO 0.01 0.00 -0.20 0.79 -0.87 0.00 0.00 176.83 176.56 2q44 n TRP 90 N -2.38 0.00 -0.01 4.77 7.02 -0.78 -4.16 117.44 121.89 2q44 n TRP 90 Ca -0.01 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.53 2q44 n TRP 90 Cb 0.08 -0.18 0.44 0.00 -2.42 0.00 0.00 31.31 29.24 2q44 n TRP 90 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2q44 h LYS 91 N 0.76 0.50 0.00 -0.99 1.57 -1.15 -1.06 116.57 116.20 2q44 h LYS 91 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2q44 h LYS 91 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2q44 h LYS 91 CO 0.00 0.33 0.00 -2.30 -0.57 0.00 0.00 179.45 176.91 2q44 n PRO 92 N -4.48 0.08 0.00 3.15 -0.02 -1.26 -1.36 135.00 131.11 2q44 n PRO 92 Ca 0.04 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 2q44 n PRO 92 Cb 0.12 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.56 2q44 n PRO 92 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2q44 n LEU 93 N -1.40 0.26 -4.77 2.45 7.99 -0.40 -4.84 117.00 116.29 2q44 n LEU 93 Ca 0.04 0.24 -0.39 0.00 -0.01 0.00 0.00 56.01 55.89 2q44 n LEU 93 Cb 0.12 -0.36 -0.01 0.00 -0.11 0.00 0.00 43.42 43.05 2q44 n LEU 93 CO 0.10 0.06 0.91 -0.63 -1.51 0.00 0.00 177.39 176.33 2q44 s ILE 94 N -2.96 2.80 0.39 -0.08 -1.09 -0.47 -1.51 121.20 118.28 2q44 s ILE 94 Ca 0.14 0.68 -0.27 0.00 -2.23 0.00 0.00 60.65 58.98 2q44 s ILE 94 Cb 0.18 -3.39 -0.09 0.00 -1.58 0.00 0.00 42.46 37.58 2q44 s ILE 94 CO 0.60 0.08 1.29 -2.28 -1.23 0.00 0.00 174.94 173.40 2q44 s HIS 95 N -1.33 2.90 -1.23 3.97 5.65 -0.18 -4.73 115.29 120.34 2q44 s HIS 95 Ca 0.58 1.43 0.10 0.00 0.25 0.00 0.00 55.06 57.42 2q44 s HIS 95 Cb -0.35 -3.64 0.48 0.00 -1.18 0.00 0.00 32.58 27.88 2q44 s HIS 95 CO 0.45 -1.96 1.27 -1.13 -0.65 0.00 0.00 174.74 172.72 2q44 n SER 96 N 0.29 0.00 -0.55 9.88 3.41 -1.26 -2.74 113.62 122.64 2q44 n SER 96 Ca 0.03 0.31 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 2q44 n SER 96 Cb 0.43 -0.39 0.18 0.00 -0.26 0.00 0.00 64.21 64.18 2q44 n SER 96 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2q44 n GLU 97 N -1.39 1.47 -0.02 4.33 -0.58 -1.26 -4.51 120.64 118.67 2q44 n GLU 97 Ca 0.04 -1.11 -0.12 0.00 -0.42 0.00 0.00 57.16 55.54 2q44 n GLU 97 Cb 0.10 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.42 2q44 n GLU 97 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2q44 h VAL 98 N 2.72 1.28 0.00 2.62 2.07 -1.90 -3.55 116.25 119.49 2q44 h VAL 98 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2q44 h VAL 98 Cb 0.73 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2q44 h VAL 98 CO 0.00 0.25 0.00 2.22 0.02 0.00 0.00 177.57 180.06