#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fqp s PRO 4 N 0.00 2.27 0.10 5.56 0.04 -1.26 -4.82 135.00 136.88 2fqp s PRO 4 Ca 0.00 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 2fqp s PRO 4 Cb 0.00 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2fqp s PRO 4 CO 0.00 -1.68 0.86 0.20 0.04 0.00 0.00 177.00 176.42 2fqp s GLY 5 N -2.54 2.92 0.58 0.56 0.00 -1.26 -1.42 107.32 106.14 2fqp s GLY 5 Ca 0.68 0.43 -0.20 0.00 0.00 0.00 0.00 44.72 45.64 2fqp s GLY 5 CO 0.47 1.22 1.23 0.00 0.00 0.00 0.00 173.10 176.03 2fqp s ALA 6 N -0.23 2.62 -0.32 3.20 0.00 -0.04 -4.64 121.76 122.34 2fqp s ALA 6 Ca 0.42 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.40 2fqp s ALA 6 Cb -0.22 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.47 2fqp s ALA 6 CO 0.27 -1.18 0.07 0.42 0.00 0.00 0.00 175.76 175.33 2fqp s ILE 7 N -1.52 3.50 0.16 0.00 1.01 0.38 -4.92 121.20 119.81 2fqp s ILE 7 Ca 0.76 -1.22 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 2fqp s ILE 7 Cb -0.32 -2.99 -0.08 0.00 0.01 0.00 0.00 42.46 39.08 2fqp s ILE 7 CO 0.36 -0.15 0.84 -2.16 0.00 0.00 0.00 174.94 173.83 2fqp s PRO 8 N 1.35 4.65 -0.15 2.79 0.04 -1.26 -1.45 135.00 140.97 2fqp s PRO 8 Ca -0.03 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 2fqp s PRO 8 Cb -0.20 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.08 2fqp s PRO 8 CO 0.01 0.48 -0.10 0.99 0.04 0.00 0.00 177.00 178.43 2fqp s THR 9 N -0.88 1.31 -0.32 1.26 2.01 0.65 -4.98 115.64 114.70 2fqp s THR 9 Ca 0.39 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 2fqp s THR 9 Cb -0.24 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 70.94 2fqp s THR 9 CO 0.28 0.32 1.33 -0.69 -0.69 0.00 0.00 174.62 175.17 2fqp s VAL 10 N 1.57 4.08 -0.13 3.82 1.01 -1.26 -0.78 120.40 128.71 2fqp s VAL 10 Ca 0.03 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 2fqp s VAL 10 Cb -0.14 -4.14 -0.25 0.00 0.00 0.00 0.00 36.38 31.85 2fqp s VAL 10 CO -0.09 -0.52 0.37 1.56 0.00 0.00 0.00 175.10 176.42 2fqp h GLN 11 N 9.60 0.22 -3.66 2.72 4.20 -0.99 -3.47 115.11 123.72 2fqp h GLN 11 Ca -0.27 -0.38 -0.28 0.00 0.06 0.00 0.00 58.65 57.78 2fqp h GLN 11 Cb 1.10 0.14 -0.32 0.00 0.30 0.00 0.00 27.48 28.71 2fqp h GLN 11 CO 1.04 1.18 -0.73 0.42 -0.67 0.00 0.00 178.83 180.07 2fqp s ILE 12 N -2.52 0.02 -0.37 2.54 1.01 -1.04 -4.97 121.20 115.87 2fqp s ILE 12 Ca -0.23 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2fqp s ILE 12 Cb 0.06 -0.09 0.15 0.00 0.01 0.00 0.00 42.46 42.59 2fqp s ILE 12 CO 0.74 0.07 0.27 -0.62 0.00 0.00 0.00 174.94 175.40 2fqp s ASP 13 N 0.62 2.28 0.00 3.58 2.15 -1.26 0.02 116.67 124.05 2fqp s ASP 13 Ca -0.05 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 50.72 2fqp s ASP 13 Cb -0.08 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 2fqp s ASP 13 CO -0.02 -0.27 0.00 -0.46 -0.17 0.00 0.00 175.17 174.25 2fqp n ASN 14 N 3.86 1.38 0.25 -0.34 0.23 -0.55 -5.02 115.26 115.08 2fqp n ASN 14 Ca 0.15 -0.46 0.09 0.00 -0.53 0.00 0.00 54.58 53.84 2fqp n ASN 14 Cb 0.41 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.76 2fqp n ASN 14 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2fqp h GLU 15 N 0.00 0.00 0.00 -3.83 5.08 -2.02 -3.32 114.58 110.49 2fqp h GLU 15 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2fqp h GLU 15 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2fqp h GLU 15 CO 0.00 0.10 -1.63 0.54 -1.00 0.00 0.00 179.01 177.03 2fqp n ARG 16 N -4.12 2.49 -3.94 2.33 5.12 -1.26 -4.86 116.66 112.42 2fqp n ARG 16 Ca -0.03 -0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.80 2fqp n ARG 16 Cb 0.19 -1.23 -0.09 0.00 -1.16 0.00 0.00 32.46 30.16 2fqp n ARG 16 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2fqp s VAL 17 N -2.22 0.14 -0.17 1.55 -7.23 -1.25 -1.17 120.40 110.04 2fqp s VAL 17 Ca -0.05 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2fqp s VAL 17 Cb 0.03 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 36.05 2fqp s VAL 17 CO 0.38 -0.62 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.62 2fqp s LYS 18 N -2.69 3.09 -0.19 4.82 2.20 -0.70 -1.48 119.74 124.80 2fqp s LYS 18 Ca -0.04 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 2fqp s LYS 18 Cb -0.01 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.68 2fqp s LYS 18 CO -0.05 -0.13 -0.06 0.08 -0.36 0.00 0.00 175.35 174.83 2fqp s VAL 19 N 1.14 3.42 -0.08 4.02 1.01 0.10 -0.99 120.40 129.02 2fqp s VAL 19 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2fqp s VAL 19 Cb -0.14 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2fqp s VAL 19 CO -0.07 0.46 -0.13 -0.89 0.00 0.00 0.00 175.10 174.47 2fqp s THR 20 N 0.98 1.24 -0.06 3.92 2.01 0.32 -0.25 115.64 123.79 2fqp s THR 20 Ca -0.00 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 2fqp s THR 20 Cb -0.15 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2fqp s THR 20 CO 0.00 0.38 0.95 -0.70 -0.69 0.00 0.00 174.62 174.56 2fqp s GLU 21 N 0.79 4.47 -0.29 4.92 2.12 0.04 -0.87 118.70 129.87 2fqp s GLU 21 Ca -0.12 1.31 -0.07 0.00 0.36 0.00 0.00 54.97 56.46 2fqp s GLU 21 Cb -0.16 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.74 2fqp s GLU 21 CO 0.02 -0.16 0.08 -1.58 -0.54 0.00 0.00 175.26 173.07 2fqp s TRP 22 N 1.48 3.15 -0.28 5.30 0.52 0.13 -0.25 118.94 128.98 2fqp s TRP 22 Ca 0.48 -1.00 -0.07 0.00 0.02 0.00 0.00 56.10 55.52 2fqp s TRP 22 Cb -0.19 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 29.87 2fqp s TRP 22 CO 0.22 -0.58 0.09 0.50 0.02 0.00 0.00 176.95 177.19 2fqp s ARG 23 N 1.49 3.32 -0.29 4.98 3.52 -0.53 -2.06 118.95 129.38 2fqp s ARG 23 Ca 0.02 -0.71 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 2fqp s ARG 23 Cb -0.17 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2fqp s ARG 23 CO 0.02 -0.35 0.17 -0.06 -0.81 0.00 0.00 175.30 174.27 2fqp s PHE 24 N 1.56 3.18 0.90 5.12 0.40 0.90 -0.47 117.98 129.57 2fqp s PHE 24 Ca 0.04 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.03 2fqp s PHE 24 Cb -0.16 -2.37 0.14 0.00 0.51 0.00 0.00 43.02 41.14 2fqp s PHE 24 CO 0.03 -0.32 1.10 -2.14 0.70 0.00 0.00 175.22 174.60 2fqp s PRO 25 N 1.69 1.16 0.09 0.24 0.02 -1.26 -1.36 135.00 135.57 2fqp s PRO 25 Ca 0.06 1.20 -0.36 0.00 0.02 0.00 0.00 61.00 61.92 2fqp s PRO 25 Cb -0.16 -1.77 -0.16 0.00 0.02 0.00 0.00 34.50 32.43 2fqp s PRO 25 CO 0.08 -2.42 1.39 -2.30 -0.33 0.00 0.00 177.00 173.42 2fqp n PRO 26 N -4.06 1.31 -0.98 5.54 -0.02 -1.26 -0.69 135.00 134.84 2fqp n PRO 26 Ca 0.09 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2fqp n PRO 26 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2fqp n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fqp n GLY 27 N 2.70 0.31 3.88 -1.23 0.00 -0.18 -4.82 105.19 105.84 2fqp n GLY 27 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2fqp n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fqp s GLY 28 N -2.00 1.63 0.04 -0.02 0.00 0.13 -4.31 107.32 102.79 2fqp s GLY 28 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 2fqp s GLY 28 CO 0.00 0.05 0.14 -1.83 0.00 0.00 0.00 173.10 171.46 2fqp s GLU 29 N -5.34 0.63 0.15 2.90 -1.05 -0.51 -0.24 118.70 115.24 2fqp s GLU 29 Ca 0.58 -0.70 0.07 0.00 -0.15 0.00 0.00 54.97 54.78 2fqp s GLU 29 Cb -0.11 0.25 -0.11 0.00 -0.44 0.00 0.00 34.13 33.72 2fqp s GLU 29 CO 0.52 -0.17 1.34 1.79 0.95 0.00 0.00 175.26 179.69 2fqp h THR 30 N 3.59 1.66 0.00 1.83 1.35 -1.65 -0.07 112.91 119.62 2fqp h THR 30 Ca -0.32 -3.17 0.00 0.00 -0.55 0.00 0.00 66.41 62.37 2fqp h THR 30 Cb 1.19 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2fqp h THR 30 CO 0.49 0.91 0.00 0.61 -0.25 0.00 0.00 175.52 177.28 2fqp n GLY 31 N 1.15 -1.27 3.76 5.82 0.00 -1.26 -4.86 105.19 108.52 2fqp n GLY 31 Ca -0.01 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2fqp n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2fqp s TRP 32 N -2.92 3.03 0.22 1.61 0.52 -1.26 -4.44 118.94 115.69 2fqp s TRP 32 Ca 0.00 1.23 -0.15 0.00 0.02 0.00 0.00 56.10 57.20 2fqp s TRP 32 Cb 0.00 -3.74 0.01 0.00 -1.15 0.00 0.00 33.47 28.59 2fqp s TRP 32 CO 0.00 -2.23 0.49 -3.38 0.02 0.00 0.00 176.95 171.86 2fqp s HIS 33 N -0.58 0.10 -0.12 -1.98 -3.43 -0.49 -4.98 115.29 103.81 2fqp s HIS 33 Ca 0.54 -0.47 0.03 0.00 -0.80 0.00 0.00 55.06 54.36 2fqp s HIS 33 Cb -0.41 0.29 0.00 0.00 -1.43 0.00 0.00 32.58 31.04 2fqp s HIS 33 CO 0.48 -0.94 -0.22 0.50 -2.00 0.00 0.00 174.74 172.56 2fqp s ARG 34 N -3.94 3.07 -0.15 -0.38 3.52 -1.26 -1.40 118.95 118.42 2fqp s ARG 34 Ca 0.15 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.61 2fqp s ARG 34 Cb -0.01 -2.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 2fqp s ARG 34 CO 0.02 0.08 1.26 -1.01 -0.81 0.00 0.00 175.30 174.85 2fqp s HIS 35 N 0.59 2.87 -0.45 5.12 3.76 0.28 -4.96 115.29 122.50 2fqp s HIS 35 Ca -0.12 1.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.84 2fqp s HIS 35 Cb -0.17 -3.50 0.30 0.00 1.11 0.00 0.00 32.58 30.32 2fqp s HIS 35 CO 0.03 -1.71 1.18 -1.13 -0.85 0.00 0.00 174.74 172.26 2fqp n SER 36 N 6.44 3.09 -4.79 1.40 3.41 -1.26 -0.46 113.62 121.44 2fqp n SER 36 Ca 0.14 -2.50 -0.36 0.00 -0.26 0.00 0.00 58.87 55.89 2fqp n SER 36 Cb 0.45 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 2fqp n SER 36 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2fqp s ASP 38 N -0.11 7.19 0.05 4.04 1.01 -1.26 -4.88 116.67 122.70 2fqp s ASP 38 Ca 0.22 1.81 -0.13 0.00 0.71 0.00 0.00 52.55 55.16 2fqp s ASP 38 Cb 0.18 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2fqp s ASP 38 CO 0.05 -0.18 0.28 -0.72 0.21 0.00 0.00 175.17 174.82 2fqp s TYR 39 N -1.78 -0.06 -0.08 4.23 1.13 -0.50 -1.09 117.35 119.20 2fqp s TYR 39 Ca 0.54 -0.12 0.04 0.00 -1.41 0.00 0.00 57.07 56.12 2fqp s TYR 39 Cb -0.16 0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 2fqp s TYR 39 CO 0.21 -0.51 -0.22 0.08 -2.51 0.00 0.00 175.55 172.60 2fqp s VAL 40 N -2.76 2.31 -0.20 -3.49 1.01 0.36 -1.19 120.40 116.44 2fqp s VAL 40 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2fqp s VAL 40 Cb -0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2fqp s VAL 40 CO -0.05 0.56 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 2fqp s VAL 41 N -0.03 3.98 -0.39 2.92 1.01 0.59 -0.37 120.40 128.11 2fqp s VAL 41 Ca -0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2fqp s VAL 41 Cb -0.15 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.51 2fqp s VAL 41 CO 0.05 0.42 0.20 -0.69 0.00 0.00 0.00 175.10 175.08 2fqp s VAL 42 N 1.01 3.84 0.30 2.92 1.01 0.49 -1.80 120.40 128.18 2fqp s VAL 42 Ca 0.02 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 2fqp s VAL 42 Cb -0.14 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.95 2fqp s VAL 42 CO 0.02 -0.45 0.24 -2.65 0.00 0.00 0.00 175.10 172.25 2fqp n PRO 43 N 4.81 -1.83 0.00 2.72 -0.02 -1.26 -0.81 135.00 138.61 2fqp n PRO 43 Ca -0.09 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 2fqp n PRO 43 Cb 0.43 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 2fqp n PRO 43 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2fqp n THR 45 N -3.22 0.00 -3.56 3.45 -1.04 -1.15 -0.90 114.28 107.86 2fqp n THR 45 Ca 0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 2fqp n THR 45 Cb 0.14 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 2fqp n THR 45 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2fqp s THR 46 N 0.00 5.31 0.00 12.58 2.01 -1.26 -3.27 115.64 131.01 2fqp s THR 46 Ca 0.00 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.51 2fqp s THR 46 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.90 2fqp s THR 46 CO 0.00 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2fqp n GLY 47 N 3.30 -0.53 3.79 4.40 0.00 -0.34 -4.93 105.19 110.88 2fqp n GLY 47 Ca -0.13 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 2fqp n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fqp s PRO 48 N -1.95 4.51 0.10 1.61 0.04 -1.26 -0.77 135.00 137.27 2fqp s PRO 48 Ca 0.00 1.13 0.10 0.00 0.04 0.00 0.00 61.00 62.27 2fqp s PRO 48 Cb 0.00 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2fqp s PRO 48 CO 0.00 0.48 -0.25 -0.51 0.04 0.00 0.00 177.00 176.76 2fqp s LEU 49 N -1.51 2.26 -0.34 -3.56 1.43 -0.00 -4.43 118.68 112.53 2fqp s LEU 49 Ca 0.40 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 2fqp s LEU 49 Cb -0.21 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2fqp s LEU 49 CO 0.25 0.17 0.40 -0.76 0.23 0.00 0.00 176.35 176.64 2fqp s LEU 50 N -1.74 4.41 -0.27 1.79 1.43 0.20 -0.29 118.68 124.20 2fqp s LEU 50 Ca 0.11 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2fqp s LEU 50 Cb -0.10 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2fqp s LEU 50 CO 0.04 -0.37 0.12 -0.76 0.23 0.00 0.00 176.35 175.62 2fqp s LEU 51 N 2.11 3.70 -0.21 1.79 1.43 -0.28 -0.94 118.68 126.28 2fqp s LEU 51 Ca 0.13 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 2fqp s LEU 51 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2fqp s LEU 51 CO 0.12 -0.05 0.10 -1.61 0.23 0.00 0.00 176.35 175.14 2fqp s GLU 52 N 1.67 3.99 0.24 1.70 2.02 -0.25 -1.62 118.70 126.45 2fqp s GLU 52 Ca 0.07 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.75 2fqp s GLU 52 Cb -0.16 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 2fqp s GLU 52 CO 0.07 0.14 0.07 0.95 0.02 0.00 0.00 175.26 176.51 2fqp s THR 53 N 0.76 0.66 0.56 3.63 -4.23 -0.97 -2.12 115.64 113.92 2fqp s THR 53 Ca 0.05 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.97 2fqp s THR 53 Cb -0.13 -2.53 0.60 0.00 1.34 0.00 0.00 72.50 71.78 2fqp s THR 53 CO 0.02 -0.11 1.70 -0.65 -0.54 0.00 0.00 174.62 175.04 2fqp h PRO 54 N 2.43 0.00 0.00 3.99 0.11 -1.98 -2.30 132.00 134.25 2fqp h PRO 54 Ca -0.38 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 2fqp h PRO 54 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2fqp h PRO 54 CO 0.62 0.00 -0.86 0.93 -0.21 0.00 0.00 178.00 178.48 2fqp h GLU 55 N 0.00 0.00 0.00 1.05 3.07 -1.99 -3.49 114.58 113.22 2fqp h GLU 55 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 2fqp h GLU 55 Cb 2.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.66 2fqp h GLU 55 CO -0.01 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.26 2fqp n GLY 56 N 1.26 -1.25 3.61 -3.84 0.00 -0.86 -5.11 105.19 99.00 2fqp n GLY 56 Ca -0.02 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 2fqp n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fqp s SER 57 N -2.27 4.73 -0.02 1.61 1.04 -1.26 -2.29 113.70 115.25 2fqp s SER 57 Ca 0.00 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2fqp s SER 57 Cb 0.00 -1.15 -0.01 0.00 0.10 0.00 0.00 66.02 64.96 2fqp s SER 57 CO 0.00 0.30 -0.11 -0.69 0.98 0.00 0.00 173.24 173.72 2fqp s VAL 58 N -0.97 0.90 -0.51 5.02 1.01 -0.64 -4.97 120.40 120.23 2fqp s VAL 58 Ca 0.17 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 2fqp s VAL 58 Cb -0.11 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.55 2fqp s VAL 58 CO 0.07 0.26 0.79 -0.89 0.00 0.00 0.00 175.10 175.33 2fqp s THR 59 N -0.13 4.62 -0.14 3.92 2.01 -1.26 -1.12 115.64 123.53 2fqp s THR 59 Ca 0.02 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 2fqp s THR 59 Cb -0.06 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2fqp s THR 59 CO -0.00 -0.89 0.47 -0.55 -0.69 0.00 0.00 174.62 172.96 2fqp s SER 60 N 2.56 6.63 -0.44 3.53 0.15 0.60 -4.91 113.70 121.83 2fqp s SER 60 Ca 0.25 0.75 -0.18 0.00 0.70 0.00 0.00 55.95 57.48 2fqp s SER 60 Cb -0.14 -2.28 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2fqp s SER 60 CO 0.18 -0.04 0.47 -1.10 1.20 0.00 0.00 173.24 173.95 2fqp s GLN 61 N 0.89 3.10 0.19 5.44 -1.52 -1.26 -0.82 119.66 125.67 2fqp s GLN 61 Ca 0.25 -0.80 -0.12 0.00 -1.95 0.00 0.00 55.36 52.73 2fqp s GLN 61 Cb -0.15 -4.00 -0.07 0.00 -0.22 0.00 0.00 33.01 28.57 2fqp s GLN 61 CO 0.10 -0.92 0.55 -0.51 -0.25 0.00 0.00 175.29 174.26 2fqp s LEU 62 N 2.19 4.25 -0.15 2.90 1.02 0.05 -4.95 118.68 123.99 2fqp s LEU 62 Ca 0.12 1.01 0.01 0.00 0.02 0.00 0.00 54.13 55.29 2fqp s LEU 62 Cb -0.18 -3.48 0.01 0.00 0.02 0.00 0.00 46.19 42.56 2fqp s LEU 62 CO 0.13 0.01 -0.19 -0.89 0.02 0.00 0.00 176.35 175.44 2fqp s THR 63 N -1.64 2.30 -0.09 5.49 2.01 -1.26 -1.20 115.64 121.25 2fqp s THR 63 Ca 0.43 -0.89 -0.39 0.00 0.31 0.00 0.00 61.69 61.15 2fqp s THR 63 Cb -0.13 -1.95 -0.17 0.00 0.01 0.00 0.00 72.50 70.26 2fqp s THR 63 CO 0.20 0.53 1.47 -1.14 -0.69 0.00 0.00 174.62 174.99 2fqp n ARG 64 N 4.19 0.96 -0.95 4.92 0.63 -1.20 -1.28 116.66 123.93 2fqp n ARG 64 Ca -0.20 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2fqp n ARG 64 Cb 0.51 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 31.44 2fqp n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fqp n GLY 65 N 3.10 0.68 3.23 5.14 0.00 -0.08 -4.97 105.19 112.29 2fqp n GLY 65 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2fqp n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fqp s VAL 66 N -2.88 3.99 0.66 1.61 1.01 -0.40 -4.95 120.40 119.44 2fqp s VAL 66 Ca 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.31 2fqp s VAL 66 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2fqp s VAL 66 CO 0.00 -0.54 1.05 -0.94 0.00 0.00 0.00 175.10 174.67 2fqp s SER 67 N 2.08 5.58 0.16 3.32 1.04 -1.26 -4.41 113.70 120.21 2fqp s SER 67 Ca 0.04 1.65 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 2fqp s SER 67 Cb -0.23 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2fqp s SER 67 CO 0.01 -1.31 0.33 -0.72 0.98 0.00 0.00 173.24 172.53 2fqp s TYR 68 N -2.89 0.20 0.10 5.02 -0.85 -0.74 -4.99 117.35 113.19 2fqp s TYR 68 Ca 0.59 -0.56 0.07 0.00 -0.52 0.00 0.00 57.07 56.65 2fqp s TYR 68 Cb -0.14 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 2fqp s TYR 68 CO 0.50 -0.74 -0.19 -0.08 -1.52 0.00 0.00 175.55 173.51 2fqp s THR 69 N -3.92 1.57 0.06 -3.49 -1.32 -1.26 -0.30 115.64 106.99 2fqp s THR 69 Ca 0.12 -1.49 0.01 0.00 -1.21 0.00 0.00 61.69 59.12 2fqp s THR 69 Cb 0.02 -1.44 -0.03 0.00 -1.51 0.00 0.00 72.50 69.54 2fqp s THR 69 CO -0.03 -0.10 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.09 2fqp s ARG 70 N -1.88 0.64 0.45 7.08 0.52 -0.33 -5.01 118.95 120.43 2fqp s ARG 70 Ca 0.04 -1.08 -0.02 0.00 -0.52 0.00 0.00 55.73 54.16 2fqp s ARG 70 Cb -0.10 -0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 2fqp s ARG 70 CO 0.04 -0.03 0.70 -1.25 0.02 0.00 0.00 175.30 174.78 2fqp s PRO 71 N -3.00 3.28 0.32 3.54 0.04 -1.26 -1.41 135.00 136.51 2fqp s PRO 71 Ca 0.02 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 60.60 2fqp s PRO 71 Cb 0.00 -2.50 -0.14 0.00 0.04 0.00 0.00 34.50 31.91 2fqp s PRO 71 CO -0.04 -0.20 0.79 -1.91 0.04 0.00 0.00 177.00 175.67 2fqp n GLU 72 N -2.12 0.89 0.00 4.56 2.13 -1.26 -2.86 120.64 121.98 2fqp n GLU 72 Ca -0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2fqp n GLU 72 Cb 0.57 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.66 2fqp n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fqp n GLY 73 N 1.51 2.80 3.66 8.31 0.00 0.39 -4.92 105.19 116.95 2fqp n GLY 73 Ca 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 2fqp n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fqp n VAL 74 N -1.68 0.10 -3.80 1.61 0.31 -1.14 -4.69 118.33 109.04 2fqp n VAL 74 Ca 0.00 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 2fqp n VAL 74 Cb 0.00 -1.43 -0.17 0.00 -0.91 0.00 0.00 33.84 31.33 2fqp n VAL 74 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2fqp s GLU 75 N 1.41 0.90 0.10 5.55 2.12 -1.26 -0.56 118.70 126.96 2fqp s GLU 75 Ca 0.83 -0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.71 2fqp s GLU 75 Cb -0.75 -1.54 0.09 0.00 0.26 0.00 0.00 34.13 32.18 2fqp s GLU 75 CO 0.43 -0.41 1.10 -3.38 -0.54 0.00 0.00 175.26 172.46 2fqp s HIS 76 N 1.85 -0.04 0.00 5.30 -3.43 -0.49 -4.82 115.29 113.65 2fqp s HIS 76 Ca 0.03 -0.21 0.07 0.00 -0.80 0.00 0.00 55.06 54.14 2fqp s HIS 76 Cb -0.14 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.61 2fqp s HIS 76 CO -0.07 -0.65 -0.21 1.21 -2.00 0.00 0.00 174.74 173.02 2fqp s ASN 77 N -3.13 3.50 -0.13 7.38 2.47 -0.90 -1.40 114.94 122.73 2fqp s ASN 77 Ca 0.16 -0.42 0.03 0.00 0.42 0.00 0.00 52.86 53.05 2fqp s ASN 77 Cb 0.00 -0.52 0.00 0.00 -1.45 0.00 0.00 41.25 39.29 2fqp s ASN 77 CO 0.01 0.30 -0.21 -0.69 -3.72 0.00 0.00 177.10 172.78 2fqp s VAL 78 N -0.76 2.17 0.02 -5.21 1.01 -1.26 -1.09 120.40 115.28 2fqp s VAL 78 Ca 0.12 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2fqp s VAL 78 Cb -0.10 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2fqp s VAL 78 CO 0.02 0.55 -0.26 -0.63 0.00 0.00 0.00 175.10 174.78 2fqp s ILE 79 N 0.64 2.05 -0.50 2.22 1.01 -0.11 -1.69 121.20 124.82 2fqp s ILE 79 Ca -0.11 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.11 2fqp s ILE 79 Cb -0.16 -1.73 0.06 0.00 0.01 0.00 0.00 42.46 40.64 2fqp s ILE 79 CO 0.02 0.45 0.58 0.21 0.00 0.00 0.00 174.94 176.20 2fqp s ASN 80 N -0.95 6.21 0.00 3.58 2.47 0.67 -0.63 114.94 126.29 2fqp s ASN 80 Ca 0.11 -1.02 0.30 0.00 0.42 0.00 0.00 52.86 52.67 2fqp s ASN 80 Cb -0.10 -2.27 1.63 0.00 -1.45 0.00 0.00 41.25 39.06 2fqp s ASN 80 CO 0.01 -0.85 2.07 -0.81 -3.72 0.00 0.00 177.10 173.80 2fqp n PRO 81 N 5.97 1.20 -2.90 0.43 -0.04 -1.26 -1.01 135.00 137.39 2fqp n PRO 81 Ca -0.08 -0.29 -0.24 0.00 -0.04 0.00 0.00 63.50 62.84 2fqp n PRO 81 Cb 0.45 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2fqp n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2fqp s SER 82 N -1.99 5.94 0.00 3.54 0.01 -1.26 -4.75 113.70 115.20 2fqp s SER 82 Ca 0.44 0.49 0.30 0.00 1.31 0.00 0.00 55.95 58.50 2fqp s SER 82 Cb 0.21 -1.77 1.59 0.00 0.21 0.00 0.00 66.02 66.27 2fqp s SER 82 CO 0.35 -0.67 2.05 0.47 0.41 0.00 0.00 173.24 175.85 2fqp n ASP 83 N -2.14 0.52 -4.56 2.44 8.00 -1.26 -2.83 116.55 116.72 2fqp n ASP 83 Ca 0.01 -1.19 -0.25 0.00 0.71 0.00 0.00 54.79 54.07 2fqp n ASP 83 Cb 0.57 -0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 2fqp n ASP 83 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2fqp s THR 84 N -2.00 2.40 0.52 -3.53 -4.23 -1.26 -4.70 115.64 102.84 2fqp s THR 84 Ca 0.44 -2.17 -0.21 0.00 -1.18 0.00 0.00 61.69 58.57 2fqp s THR 84 Cb 0.21 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 71.35 2fqp s THR 84 CO 0.35 -0.23 1.20 -0.70 -0.54 0.00 0.00 174.62 174.70 2fqp s GLU 85 N -3.62 3.42 -0.04 3.99 2.12 -1.26 -4.13 118.70 119.18 2fqp s GLU 85 Ca 0.33 1.85 0.02 0.00 0.36 0.00 0.00 54.97 57.53 2fqp s GLU 85 Cb 0.01 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 32.18 2fqp s GLU 85 CO 0.17 -0.85 -0.10 0.12 -0.54 0.00 0.00 175.26 174.06 2fqp s PHE 86 N -1.54 1.08 -0.04 5.30 2.19 -0.46 -4.99 117.98 119.52 2fqp s PHE 86 Ca 0.69 -0.31 0.04 0.00 0.33 0.00 0.00 56.93 57.68 2fqp s PHE 86 Cb -0.30 -0.79 -0.00 0.00 -1.31 0.00 0.00 43.02 40.61 2fqp s PHE 86 CO 0.36 -0.16 -0.15 0.08 1.83 0.00 0.00 175.22 177.18 2fqp s VAL 87 N 0.39 1.30 0.10 3.12 1.01 -1.26 -0.07 120.40 124.99 2fqp s VAL 87 Ca -0.07 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2fqp s VAL 87 Cb -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2fqp s VAL 87 CO 0.01 0.38 -0.05 0.72 0.00 0.00 0.00 175.10 176.16 2fqp s PHE 88 N 0.05 0.87 -0.17 5.22 -0.12 -0.88 -2.94 117.98 120.01 2fqp s PHE 88 Ca -0.03 -0.96 -0.03 0.00 -0.05 0.00 0.00 56.93 55.85 2fqp s PHE 88 Cb -0.11 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.75 2fqp s PHE 88 CO 0.02 -0.21 -0.05 0.08 -0.05 0.00 0.00 175.22 175.01 2fqp s VAL 89 N -3.69 3.61 -0.18 -2.49 1.01 0.01 -0.69 120.40 117.97 2fqp s VAL 89 Ca 0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2fqp s VAL 89 Cb 0.06 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2fqp s VAL 89 CO -0.04 0.47 -0.06 -0.70 0.00 0.00 0.00 175.10 174.77 2fqp s GLU 90 N 0.69 3.45 -0.31 2.72 2.12 -0.05 -0.38 118.70 126.94 2fqp s GLU 90 Ca -0.03 -0.61 -0.00 0.00 0.36 0.00 0.00 54.97 54.69 2fqp s GLU 90 Cb -0.15 -2.90 0.07 0.00 0.26 0.00 0.00 34.13 31.41 2fqp s GLU 90 CO 0.02 0.00 0.01 0.42 -0.54 0.00 0.00 175.26 175.18 2fqp s ILE 91 N 0.95 2.80 -0.07 -3.70 1.09 0.50 -0.52 121.20 122.25 2fqp s ILE 91 Ca -0.01 -1.62 -0.17 0.00 -1.10 0.00 0.00 60.65 57.75 2fqp s ILE 91 Cb -0.15 -2.70 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 2fqp s ILE 91 CO 0.00 -0.22 0.46 -1.61 -0.10 0.00 0.00 174.94 173.47 2fqp s GLU 92 N 1.17 4.21 -0.32 2.79 2.02 -0.16 -0.49 118.70 127.93 2fqp s GLU 92 Ca -0.02 0.45 -0.15 0.00 0.02 0.00 0.00 54.97 55.26 2fqp s GLU 92 Cb -0.20 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 2fqp s GLU 92 CO -0.03 0.35 0.37 0.42 0.02 0.00 0.00 175.26 176.38 2fqp s ILE 93 N 0.01 5.17 0.54 -1.63 -1.09 -0.25 -1.71 121.20 122.23 2fqp s ILE 93 Ca 0.25 0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.70 2fqp s ILE 93 Cb -0.16 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 2fqp s ILE 93 CO 0.12 -0.02 1.08 -0.54 -1.23 0.00 0.00 174.94 174.35 2fqp s LYS 94 N 2.05 3.45 0.52 2.79 1.02 -0.32 -4.41 119.74 124.84 2fqp s LYS 94 Ca 0.13 1.44 -0.21 0.00 0.02 0.00 0.00 55.97 57.35 2fqp s LYS 94 Cb -0.16 -2.04 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 2fqp s LYS 94 CO 0.11 -0.74 0.96 0.00 -0.92 0.00 0.00 175.35 174.76 2fqp n ALA 95 N -1.41 0.13 -0.96 5.17 0.00 -1.26 -4.95 120.51 117.24 2fqp n ALA 95 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2fqp n ALA 95 Cb 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2fqp n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50