#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb n LYS 13 N 0.00 0.00 -2.71 2.89 5.02 -1.26 -5.07 118.16 117.04 2qbb n LYS 13 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2qbb n LYS 13 Cb 0.00 -0.15 -0.02 0.00 -0.02 0.00 0.00 35.03 34.84 2qbb n LYS 13 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qbb n GLN 14 N 0.00 -3.78 0.00 1.97 1.13 -0.10 -4.93 117.38 111.67 2qbb n GLN 14 Ca 0.00 2.95 0.12 0.00 -1.94 0.00 0.00 57.00 58.13 2qbb n GLN 14 Cb 0.11 -4.84 0.13 0.00 0.11 0.00 0.00 30.24 25.75 2qbb n GLN 14 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2qbb n VAL 15 N 1.29 0.00 0.00 5.09 0.31 -0.61 -4.91 118.33 119.49 2qbb n VAL 15 Ca -0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2qbb n VAL 15 Cb 0.33 0.73 0.00 0.00 -0.91 0.00 0.00 33.84 33.99 2qbb n VAL 15 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qbb n SER 16 N -0.90 0.00 -3.64 4.52 7.64 0.41 -4.62 113.62 117.03 2qbb n SER 16 Ca 0.08 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 2qbb n SER 16 Cb 0.37 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 2qbb n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2qbb s ASP 17 N 0.00 -0.85 0.00 6.43 -4.77 -1.26 0.15 116.67 116.37 2qbb s ASP 17 Ca 0.00 1.39 0.00 0.00 -3.30 0.00 0.00 52.55 50.64 2qbb s ASP 17 Cb 0.00 1.36 0.00 0.00 -1.09 0.00 0.00 42.92 43.19 2qbb s ASP 17 CO 0.00 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.26 2qbb n GLY 18 N 4.02 5.33 3.39 2.12 0.00 -1.11 -4.24 105.19 114.69 2qbb n GLY 18 Ca -0.19 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 2qbb n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbb s VAL 19 N 1.59 1.87 -0.29 1.61 -7.23 0.38 -1.44 120.40 116.90 2qbb s VAL 19 Ca 0.00 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 57.96 2qbb s VAL 19 Cb 0.00 -2.17 0.08 0.00 0.56 0.00 0.00 36.38 34.85 2qbb s VAL 19 CO 0.00 -0.50 -0.01 0.00 -0.31 0.00 0.00 175.10 174.28 2qbb s ALA 20 N -2.88 2.41 -0.04 1.32 0.00 -1.21 -1.34 121.76 120.02 2qbb s ALA 20 Ca 0.25 -1.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.07 2qbb s ALA 20 Cb -0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 2qbb s ALA 20 CO 0.09 -1.44 0.58 -1.01 0.00 0.00 0.00 175.76 173.98 2qbb s HIS 21 N 1.16 3.63 -0.15 0.00 3.76 -0.17 0.19 115.29 123.71 2qbb s HIS 21 Ca 0.02 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 2qbb s HIS 21 Cb -0.19 -2.62 0.03 0.00 1.11 0.00 0.00 32.58 30.91 2qbb s HIS 21 CO -0.09 0.29 -0.12 0.42 -0.85 0.00 0.00 174.74 174.39 2qbb s ILE 22 N 0.09 1.44 -1.01 0.60 1.01 -0.00 -0.73 121.20 122.60 2qbb s ILE 22 Ca 0.31 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 2qbb s ILE 22 Cb -0.17 -1.41 0.24 0.00 0.01 0.00 0.00 42.46 41.12 2qbb s ILE 22 CO 0.16 0.37 1.02 -2.28 0.00 0.00 0.00 174.94 174.21 2qbb s HIS 23 N 1.53 3.99 -1.41 3.97 2.46 -0.36 -2.86 115.29 122.61 2qbb s HIS 23 Ca 0.04 -2.35 -0.13 0.00 0.47 0.00 0.00 55.06 53.08 2qbb s HIS 23 Cb -0.13 -3.89 0.07 0.00 -0.13 0.00 0.00 32.58 28.50 2qbb s HIS 23 CO -0.10 -1.02 2.13 0.00 -2.47 0.00 0.00 174.74 173.28 2qbb n ALA 24 N 3.52 5.44 -1.79 1.58 0.00 -1.14 -2.92 120.51 125.19 2qbb n ALA 24 Ca 0.21 -3.98 -0.33 0.00 0.00 0.00 0.00 53.44 49.34 2qbb n ALA 24 Cb 0.43 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.43 2qbb n ALA 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qbb s SER 25 N 2.68 6.49 0.25 0.00 1.04 0.68 -3.23 113.70 121.61 2qbb s SER 25 Ca 0.45 1.78 0.12 0.00 0.48 0.00 0.00 55.95 58.79 2qbb s SER 25 Cb 0.13 -2.54 0.68 0.00 0.10 0.00 0.00 66.02 64.38 2qbb s SER 25 CO -0.06 -0.68 1.30 0.49 0.98 0.00 0.00 173.24 175.27 2qbb n PHE 26 N -1.12 0.42 0.00 5.02 3.72 -1.26 -1.80 117.46 122.44 2qbb n PHE 26 Ca 0.08 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2qbb n PHE 26 Cb 0.53 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 2qbb n PHE 26 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qbb n ASN 27 N -1.95 0.12 -3.93 4.37 3.02 -1.26 -4.86 115.26 110.77 2qbb n ASN 27 Ca -0.01 -0.38 -0.09 0.00 -0.03 0.00 0.00 54.58 54.07 2qbb n ASN 27 Cb 0.20 0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 40.11 2qbb n ASN 27 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2qbb s ASN 28 N -0.81 -0.11 -0.36 6.41 3.04 -0.74 -4.26 114.94 118.10 2qbb s ASN 28 Ca 0.00 -0.81 0.03 0.00 0.04 0.00 0.00 52.86 52.12 2qbb s ASN 28 Cb 0.00 0.57 0.16 0.00 -1.54 0.00 0.00 41.25 40.43 2qbb s ASN 28 CO 0.00 -1.09 0.41 0.42 -3.04 0.00 0.00 177.10 173.80 2qbb s THR 29 N -3.98 -0.48 -0.18 -5.21 -4.23 -1.25 -0.23 115.64 100.09 2qbb s THR 29 Ca 0.18 -0.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.90 2qbb s THR 29 Cb -0.00 -0.64 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 2qbb s THR 29 CO 0.05 -0.45 0.09 0.27 -0.54 0.00 0.00 174.62 174.05 2qbb s ILE 30 N 1.72 5.09 -0.24 2.99 -4.36 -1.15 -1.32 121.20 123.94 2qbb s ILE 30 Ca 0.15 0.07 -0.05 0.00 -0.26 0.00 0.00 60.65 60.56 2qbb s ILE 30 Cb -0.13 -3.30 -0.01 0.00 1.25 0.00 0.00 42.46 40.27 2qbb s ILE 30 CO -0.10 0.47 0.00 0.68 0.24 0.00 0.00 174.94 176.24 2qbb s VAL 31 N 0.18 3.71 -0.20 8.37 -7.23 0.23 -1.22 120.40 124.24 2qbb s VAL 31 Ca 0.07 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2qbb s VAL 31 Cb -0.12 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.10 2qbb s VAL 31 CO -0.00 0.37 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.15 2qbb s THR 32 N 1.52 2.80 -0.25 5.32 2.01 0.09 0.37 115.64 127.51 2qbb s THR 32 Ca 0.06 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 2qbb s THR 32 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2qbb s THR 32 CO -0.01 0.47 0.30 -0.63 -0.69 0.00 0.00 174.62 174.06 2qbb s ILE 33 N 1.39 5.25 0.14 1.82 -1.09 0.13 -1.00 121.20 127.84 2qbb s ILE 33 Ca 0.05 0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 2qbb s ILE 33 Cb -0.14 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2qbb s ILE 33 CO -0.07 0.24 -0.02 0.28 -1.23 0.00 0.00 174.94 174.13 2qbb s THR 34 N 1.62 0.67 1.24 2.92 -1.32 -0.45 -0.75 115.64 119.57 2qbb s THR 34 Ca 0.13 -1.96 -0.19 0.00 -1.21 0.00 0.00 61.69 58.45 2qbb s THR 34 Cb -0.15 -1.95 0.30 0.00 -1.51 0.00 0.00 72.50 69.19 2qbb s THR 34 CO 0.08 -0.63 1.06 1.51 -2.21 0.00 0.00 174.62 174.44 2qbb s ASP 35 N -3.12 0.53 0.00 8.08 1.47 -1.15 0.14 116.67 122.62 2qbb s ASP 35 Ca 0.19 0.74 0.08 0.00 1.18 0.00 0.00 52.55 54.74 2qbb s ASP 35 Cb 0.06 -1.05 0.48 0.00 -0.34 0.00 0.00 42.92 42.07 2qbb s ASP 35 CO 0.00 -4.38 0.90 0.54 0.68 0.00 0.00 175.17 172.92 2qbb n ARG 36 N -4.95 0.30 -0.08 2.11 5.12 -1.26 -1.99 116.66 115.91 2qbb n ARG 36 Ca 0.12 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.97 2qbb n ARG 36 Cb 0.59 -1.42 -0.14 0.00 -1.16 0.00 0.00 32.46 30.33 2qbb n ARG 36 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2qbb n GLN 37 N -0.92 1.02 0.00 5.56 1.13 -1.26 -5.00 117.38 117.91 2qbb n GLN 37 Ca 0.06 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2qbb n GLN 37 Cb 0.03 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.92 2qbb n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qbb n GLY 38 N 1.84 2.01 3.56 1.08 0.00 -0.84 -5.06 105.19 107.79 2qbb n GLY 38 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2qbb n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbb s ASN 39 N -1.95 4.79 -0.07 1.61 0.01 -1.26 -4.76 114.94 113.31 2qbb s ASN 39 Ca 0.00 1.18 -0.38 0.00 -0.71 0.00 0.00 52.86 52.95 2qbb s ASN 39 Cb 0.00 -2.51 -0.16 0.00 0.41 0.00 0.00 41.25 38.99 2qbb s ASN 39 CO 0.00 -2.59 1.53 0.00 -1.51 0.00 0.00 177.10 174.53 2qbb n ALA 40 N 14.48 -0.53 -0.06 0.60 0.00 -1.26 -2.96 120.51 130.78 2qbb n ALA 40 Ca 0.33 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 54.22 2qbb n ALA 40 Cb 0.52 -2.16 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 2qbb n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbb n LEU 41 N 3.86 0.00 0.00 0.00 4.77 0.07 -4.93 117.00 120.77 2qbb n LEU 41 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2qbb n LEU 41 Cb 0.17 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2qbb n LEU 41 CO 0.70 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 2qbb n GLY 42 N 1.59 1.01 3.02 -0.72 0.00 -0.63 -4.77 105.19 104.69 2qbb n GLY 42 Ca -0.19 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 2qbb n GLY 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qbb s TRP 43 N -1.88 0.33 0.02 1.61 1.48 -1.26 0.21 118.94 119.45 2qbb s TRP 43 Ca 0.00 -0.68 0.03 0.00 -1.06 0.00 0.00 56.10 54.39 2qbb s TRP 43 Cb 0.00 -0.25 -0.01 0.00 -1.16 0.00 0.00 33.47 32.05 2qbb s TRP 43 CO 0.00 -0.25 -0.09 0.00 -4.06 0.00 0.00 176.95 172.54 2qbb s ALA 44 N -2.24 0.76 -0.03 2.67 0.00 0.16 -4.84 121.76 118.24 2qbb s ALA 44 Ca -0.09 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2qbb s ALA 44 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2qbb s ALA 44 CO -0.04 0.13 -0.25 -0.08 0.00 0.00 0.00 175.76 175.52 2qbb s THR 45 N -0.63 2.00 0.04 0.00 -1.32 -1.26 0.75 115.64 115.22 2qbb s THR 45 Ca -0.00 -1.07 -0.20 0.00 -1.21 0.00 0.00 61.69 59.21 2qbb s THR 45 Cb -0.06 -1.66 -0.10 0.00 -1.51 0.00 0.00 72.50 69.17 2qbb s THR 45 CO 0.00 0.56 1.30 0.00 -2.21 0.00 0.00 174.62 174.28 2qbb h ALA 46 N 5.63 -1.08 -0.13 11.08 0.00 -1.51 -1.86 119.26 131.39 2qbb h ALA 46 Ca -0.40 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.42 2qbb h ALA 46 Cb 1.13 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2qbb h ALA 46 CO 0.47 -1.06 0.10 0.78 0.00 0.00 0.00 179.25 179.54 2qbb h GLY 47 N -0.64 0.00 1.42 0.00 0.00 -1.81 0.49 103.07 102.54 2qbb h GLY 47 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2qbb h GLY 47 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 2qbb n GLY 48 N -1.52 -1.15 2.22 4.60 0.00 -1.05 -3.73 105.19 104.55 2qbb n GLY 48 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2qbb n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbb n SER 49 N -1.21 7.16 0.00 1.61 7.64 0.16 -4.92 113.62 124.06 2qbb n SER 49 Ca 0.16 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.55 2qbb n SER 49 Cb 0.19 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2qbb n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbb n GLY 50 N -0.30 1.01 3.43 0.23 0.00 -1.24 -4.97 105.19 103.36 2qbb n GLY 50 Ca 0.49 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2qbb n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qbb n PHE 51 N 0.00 -0.58 -4.59 1.61 1.16 -1.26 -5.00 117.46 108.79 2qbb n PHE 51 Ca 0.00 0.66 -0.26 0.00 -1.87 0.00 0.00 57.45 55.98 2qbb n PHE 51 Cb 0.00 -1.98 -0.05 0.00 -1.61 0.00 0.00 39.48 35.84 2qbb n PHE 51 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2qbb n ARG 52 N 0.77 1.00 0.00 3.97 5.12 -1.26 -4.37 116.66 121.89 2qbb n ARG 52 Ca 0.12 -2.99 0.00 0.00 -1.93 0.00 0.00 57.85 53.05 2qbb n ARG 52 Cb 0.37 0.79 0.00 0.00 -1.16 0.00 0.00 32.46 32.46 2qbb n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbb n GLY 53 N 0.08 1.72 0.37 -0.13 0.00 -1.26 -2.18 105.19 103.78 2qbb n GLY 53 Ca -0.17 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2qbb n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qbb h SER 54 N 0.00 -1.33 0.48 1.61 4.64 -1.97 -1.17 113.55 115.80 2qbb h SER 54 Ca 0.00 0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2qbb h SER 54 Cb 0.00 0.66 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2qbb h SER 54 CO 0.00 -0.30 -0.24 0.03 -0.87 0.00 0.00 176.83 175.45 2qbb h ARG 55 N -0.11 0.00 0.00 4.77 2.47 -1.81 -2.95 114.38 116.74 2qbb h ARG 55 Ca 0.26 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 2qbb h ARG 55 Cb 0.56 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2qbb h ARG 55 CO -0.79 0.24 -0.06 1.57 0.56 0.00 0.00 179.97 181.48 2qbb h LYS 56 N 0.00 0.00 -1.53 0.04 2.10 -0.87 -3.13 116.57 113.17 2qbb h LYS 56 Ca -0.00 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.98 2qbb h LYS 56 Cb 0.54 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.61 2qbb h LYS 56 CO 0.03 0.06 0.86 0.45 -2.00 0.00 0.00 179.45 178.86 2qbb n SER 57 N -3.18 7.42 -4.52 7.07 2.88 -1.11 -4.58 113.62 117.59 2qbb n SER 57 Ca 0.01 -3.69 -0.24 0.00 -1.33 0.00 0.00 58.87 53.61 2qbb n SER 57 Cb 0.35 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.66 2qbb n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2qbb s THR 58 N -4.45 2.51 0.29 2.46 -4.23 -1.19 -4.75 115.64 106.28 2qbb s THR 58 Ca 0.56 -2.28 -0.02 0.00 -1.18 0.00 0.00 61.69 58.77 2qbb s THR 58 Cb 0.45 -2.47 0.24 0.00 1.34 0.00 0.00 72.50 72.05 2qbb s THR 58 CO -0.19 -0.33 1.94 1.55 -0.54 0.00 0.00 174.62 177.05 2qbb h PRO 59 N 2.14 1.06 -0.60 3.99 0.13 -1.91 -2.37 132.00 134.45 2qbb h PRO 59 Ca -0.41 -0.09 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2qbb h PRO 59 Cb 1.26 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 2qbb h PRO 59 CO 0.63 0.74 0.36 0.35 -0.23 0.00 0.00 178.00 179.85 2qbb h PHE 60 N 1.08 0.67 -0.45 1.56 -0.00 -1.96 -3.09 116.94 114.75 2qbb h PHE 60 Ca 0.28 0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.32 2qbb h PHE 60 Cb -0.05 -0.21 -0.06 0.00 -0.00 0.00 0.00 35.95 35.62 2qbb h PHE 60 CO 0.00 0.37 -0.37 0.00 -0.00 0.00 0.00 178.31 178.32 2qbb h ALA 61 N 1.27 -0.48 -0.87 2.41 0.00 -1.69 0.71 119.26 120.61 2qbb h ALA 61 Ca 0.24 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.34 2qbb h ALA 61 Cb 0.05 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 2qbb h ALA 61 CO -0.11 -0.70 0.57 0.00 0.00 0.00 0.00 179.25 179.00 2qbb h ALA 62 N -0.27 1.89 0.90 0.00 0.00 -1.61 -0.77 119.26 119.41 2qbb h ALA 62 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qbb h ALA 62 Cb 0.32 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qbb h ALA 62 CO -0.49 -0.14 -0.44 0.37 0.00 0.00 0.00 179.25 178.55 2qbb h GLN 63 N 0.63 -1.18 -0.10 0.00 4.15 -0.83 0.34 115.11 118.12 2qbb h GLN 63 Ca 0.44 0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.97 2qbb h GLN 63 Cb 0.77 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 2qbb h GLN 63 CO -0.19 -0.79 0.07 -0.24 -1.93 0.00 0.00 178.83 175.75 2qbb h VAL 64 N -1.22 0.90 0.09 2.39 3.04 -0.89 -2.43 116.25 118.13 2qbb h VAL 64 Ca -0.12 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2qbb h VAL 64 Cb 0.94 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2qbb h VAL 64 CO 0.20 0.00 -0.04 0.00 -1.01 0.00 0.00 177.57 176.71 2qbb h ALA 65 N 1.94 -0.12 -0.28 3.17 0.00 -0.87 -2.84 119.26 120.27 2qbb h ALA 65 Ca 0.05 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2qbb h ALA 65 Cb 0.20 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2qbb h ALA 65 CO -0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 179.25 178.59 2qbb h ALA 66 N -0.02 -0.48 -0.77 0.00 0.00 0.08 0.13 119.26 118.19 2qbb h ALA 66 Ca -0.01 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2qbb h ALA 66 Cb 0.58 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 2qbb h ALA 66 CO 0.02 -0.88 0.51 1.05 0.00 0.00 0.00 179.25 179.95 2qbb h GLU 67 N -0.39 0.52 0.00 0.00 4.11 -1.56 0.20 114.58 117.45 2qbb h GLU 67 Ca 0.11 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2qbb h GLU 67 Cb 0.60 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qbb h GLU 67 CO -0.49 0.34 -0.07 -0.09 0.07 0.00 0.00 179.01 178.78 2qbb h ARG 68 N 0.53 0.00 -0.07 1.06 2.43 -0.51 -2.24 114.38 115.59 2qbb h ARG 68 Ca 0.37 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.31 2qbb h ARG 68 Cb 0.70 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2qbb h ARG 68 CO -0.14 0.07 -0.90 0.00 -1.51 0.00 0.00 179.97 177.49 2qbb h ALA 70 N 0.55 1.83 0.00 0.00 0.00 -1.32 -0.68 119.26 119.64 2qbb h ALA 70 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qbb h ALA 70 Cb 1.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qbb h ALA 70 CO 0.18 0.03 0.00 -3.47 0.00 0.00 0.00 179.25 175.99 2qbb n ASP 71 N -4.49 0.99 0.00 0.00 4.64 -1.19 -1.03 116.55 115.47 2qbb n ASP 71 Ca 0.11 -0.96 0.00 0.00 -1.38 0.00 0.00 54.79 52.56 2qbb n ASP 71 Cb 0.31 -0.24 0.00 0.00 -1.04 0.00 0.00 41.12 40.15 2qbb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbb n ALA 72 N 0.53 1.07 0.41 -1.67 0.00 -0.31 -4.91 120.51 115.62 2qbb n ALA 72 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2qbb n ALA 72 Cb 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 2qbb n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qbb n VAL 73 N -1.28 0.16 -0.01 0.00 0.24 -0.92 -4.11 118.33 112.40 2qbb n VAL 73 Ca 0.00 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.85 2qbb n VAL 73 Cb 0.00 0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.46 2qbb n VAL 73 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2qbb h LYS 74 N 0.00 0.09 0.00 7.34 1.57 -1.34 -2.19 116.57 122.04 2qbb h LYS 74 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2qbb h LYS 74 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2qbb h LYS 74 CO 0.00 0.39 0.00 -0.85 -0.57 0.00 0.00 179.45 178.42 2qbb n GLU 75 N -4.87 0.07 0.00 3.15 0.00 -1.26 -1.36 120.64 116.37 2qbb n GLU 75 Ca -0.07 0.42 0.08 0.00 0.00 0.00 0.00 57.16 57.59 2qbb n GLU 75 Cb 0.19 -1.66 0.50 0.00 0.00 0.00 0.00 31.44 30.47 2qbb n GLU 75 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qbb n TYR 76 N -1.80 0.00 -2.45 -1.84 -0.00 -0.83 0.15 117.16 110.39 2qbb n TYR 76 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.90 2qbb n TYR 76 Cb 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.46 2qbb n TYR 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qbb n GLY 77 N 0.62 0.75 3.89 2.98 0.00 -0.47 -0.93 105.19 112.04 2qbb n GLY 77 Ca 0.13 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2qbb n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbb s ILE 78 N -3.02 5.41 0.04 -0.61 -1.09 -1.17 0.15 121.20 120.91 2qbb s ILE 78 Ca 0.03 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 2qbb s ILE 78 Cb -0.01 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2qbb s ILE 78 CO 0.05 0.46 0.00 0.29 -1.23 0.00 0.00 174.94 174.51 2qbb n LYS 79 N 1.42 0.00 -4.52 2.79 4.76 0.41 -4.90 118.16 118.12 2qbb n LYS 79 Ca -0.15 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.05 2qbb n LYS 79 Cb 0.54 -0.42 -0.10 0.00 -1.84 0.00 0.00 35.03 33.21 2qbb n LYS 79 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qbb s ASN 80 N -5.22 2.80 -0.20 4.39 6.03 -0.93 -2.17 114.94 119.64 2qbb s ASN 80 Ca 0.00 -1.50 -0.32 0.00 -1.03 0.00 0.00 52.86 50.01 2qbb s ASN 80 Cb 0.00 0.13 0.15 0.00 -3.03 0.00 0.00 41.25 38.50 2qbb s ASN 80 CO 0.00 -0.72 1.18 -1.48 -2.03 0.00 0.00 177.10 174.05 2qbb s LEU 81 N -3.58 -0.17 0.00 3.54 2.34 -1.10 -2.76 118.68 116.94 2qbb s LEU 81 Ca 0.29 0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.57 2qbb s LEU 81 Cb 0.06 1.44 0.00 0.00 -0.56 0.00 0.00 46.19 47.14 2qbb s LEU 81 CO 0.14 -0.23 0.00 -0.62 -1.06 0.00 0.00 176.35 174.58 2qbb n GLU 82 N 0.22 0.54 -3.61 1.48 4.71 -0.52 -2.17 120.64 121.29 2qbb n GLU 82 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.95 2qbb n GLU 82 Cb 0.58 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.87 2qbb n GLU 82 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qbb s VAL 83 N -0.42 -0.27 -0.16 2.62 1.01 0.27 -3.32 120.40 120.13 2qbb s VAL 83 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2qbb s VAL 83 Cb 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2qbb s VAL 83 CO 0.00 -0.00 -0.10 -0.04 0.00 0.00 0.00 175.10 174.96 2qbb s MET 84 N 2.30 3.40 -0.03 2.72 -1.94 0.13 -0.06 119.30 125.82 2qbb s MET 84 Ca 0.04 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.36 2qbb s MET 84 Cb -0.14 -2.76 0.03 0.00 2.01 0.00 0.00 34.83 33.97 2qbb s MET 84 CO -0.08 0.09 0.05 0.08 -0.01 0.00 0.00 175.02 175.15 2qbb s VAL 85 N 0.69 -0.06 0.02 -6.03 1.01 -0.44 -0.82 120.40 114.77 2qbb s VAL 85 Ca -0.05 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2qbb s VAL 85 Cb -0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2qbb s VAL 85 CO 0.02 0.09 -0.04 -1.59 0.00 0.00 0.00 175.10 173.58 2qbb s LYS 86 N 1.09 0.32 0.00 2.72 -2.85 -1.14 0.18 119.74 120.07 2qbb s LYS 86 Ca -0.09 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 2qbb s LYS 86 Cb -0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 2qbb s LYS 86 CO -0.04 -0.00 0.00 0.41 0.10 0.00 0.00 175.35 175.82 2qbb n GLY 87 N 1.95 -2.07 0.00 0.59 0.00 -1.26 -2.88 105.19 101.52 2qbb n GLY 87 Ca -0.21 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2qbb n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qbb n PRO 88 N -1.18 0.00 -1.36 1.61 -0.04 -1.20 -4.61 135.00 128.23 2qbb n PRO 88 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 2qbb n PRO 88 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 2qbb n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qbb n GLY 89 N 4.88 -3.21 3.62 0.55 0.00 -1.25 -4.40 105.19 105.39 2qbb n GLY 89 Ca 0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 2qbb n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbb s PRO 90 N -4.02 -0.07 0.00 1.61 0.04 -1.26 -3.28 135.00 128.02 2qbb s PRO 90 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2qbb s PRO 90 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2qbb s PRO 90 CO 0.00 -3.08 0.00 0.41 0.04 0.00 0.00 177.00 174.37 2qbb n GLY 91 N -0.57 1.53 0.37 0.56 0.00 -1.26 -4.80 105.19 101.02 2qbb n GLY 91 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2qbb n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qbb h ARG 92 N 1.34 0.73 0.00 1.61 2.43 -1.79 -1.73 114.38 116.98 2qbb h ARG 92 Ca 0.00 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.90 2qbb h ARG 92 Cb 0.00 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 2qbb h ARG 92 CO 0.00 0.49 -1.86 0.39 -1.51 0.00 0.00 179.97 177.48 2qbb n GLU 93 N -4.59 1.52 -0.13 0.20 1.02 -1.26 -4.62 120.64 112.76 2qbb n GLU 93 Ca 0.18 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 2qbb n GLU 93 Cb 0.46 -1.31 0.01 0.00 -0.02 0.00 0.00 31.44 30.58 2qbb n GLU 93 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qbb h SER 94 N 0.00 -0.85 -0.47 1.62 0.87 -1.82 -2.43 113.55 110.47 2qbb h SER 94 Ca -0.34 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2qbb h SER 94 Cb 1.69 0.43 -0.10 0.00 -0.44 0.00 0.00 62.40 63.99 2qbb h SER 94 CO -0.00 -0.27 -0.43 0.00 -0.53 0.00 0.00 176.83 175.60 2qbb h THR 95 N -0.17 0.11 -0.14 2.23 1.03 -1.53 -2.89 112.91 111.55 2qbb h THR 95 Ca 0.20 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.62 2qbb h THR 95 Cb 0.49 0.11 -0.03 0.00 -1.07 0.00 0.00 68.15 67.64 2qbb h THR 95 CO -0.53 0.00 -0.21 0.40 -0.01 0.00 0.00 175.52 175.16 2qbb h ILE 96 N -0.29 0.00 -0.89 0.00 2.04 -1.69 0.37 117.51 117.05 2qbb h ILE 96 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.13 2qbb h ILE 96 Cb 0.57 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 2qbb h ILE 96 CO -0.62 0.00 -0.40 0.54 0.00 0.00 0.00 178.15 177.67 2qbb n ARG 97 N -3.71 -0.26 -0.05 2.37 1.74 -1.10 0.17 116.66 115.82 2qbb n ARG 97 Ca -0.02 1.36 -0.10 0.00 -0.77 0.00 0.00 57.85 58.33 2qbb n ARG 97 Cb 0.13 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 2qbb n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbb h ALA 98 N 1.00 0.26 -0.08 7.54 0.00 -1.30 0.45 119.26 127.13 2qbb h ALA 98 Ca 0.26 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2qbb h ALA 98 Cb 0.48 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2qbb h ALA 98 CO -0.87 -0.25 -0.41 1.25 0.00 0.00 0.00 179.25 178.97 2qbb h LEU 99 N 0.28 -1.27 -0.63 0.00 5.85 0.19 0.63 115.31 120.36 2qbb h LEU 99 Ca 0.08 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 2qbb h LEU 99 Cb -0.02 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2qbb h LEU 99 CO -0.02 -0.43 -0.05 -1.13 -0.34 0.00 0.00 178.44 176.47 2qbb h ASN 100 N -0.52 1.01 0.56 1.25 -0.73 -0.65 -2.61 115.58 113.90 2qbb h ASN 100 Ca 0.07 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 57.92 2qbb h ASN 100 Cb 0.63 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 2qbb h ASN 100 CO -0.36 1.09 -0.07 0.00 -0.37 0.00 0.00 177.43 177.72 2qbb h ALA 101 N 1.01 1.11 0.00 1.57 0.00 0.58 -2.25 119.26 121.27 2qbb h ALA 101 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qbb h ALA 101 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qbb h ALA 101 CO 0.04 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2qbb n ALA 102 N -2.17 2.32 -1.36 0.00 0.00 0.21 -4.80 120.51 114.70 2qbb n ALA 102 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qbb n ALA 102 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2qbb n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbb n GLY 103 N 0.20 0.77 2.78 0.00 0.00 -0.88 -5.07 105.19 102.99 2qbb n GLY 103 Ca 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 2qbb n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbb s PHE 104 N -2.91 0.82 -1.09 1.61 0.08 -0.98 -5.01 117.98 110.50 2qbb s PHE 104 Ca 0.00 -0.35 -0.24 0.00 0.12 0.00 0.00 56.93 56.46 2qbb s PHE 104 Cb 0.00 -0.89 -0.13 0.00 -0.57 0.00 0.00 43.02 41.43 2qbb s PHE 104 CO 0.00 -0.40 1.95 -2.13 -0.10 0.00 0.00 175.22 174.54 2qbb n ARG 105 N 5.11 1.30 -1.71 0.44 3.00 -0.92 -4.68 116.66 119.20 2qbb n ARG 105 Ca -0.08 -2.24 -0.36 0.00 -0.00 0.00 0.00 57.85 55.18 2qbb n ARG 105 Cb 0.49 -3.64 0.07 0.00 0.00 0.00 0.00 32.46 29.38 2qbb n ARG 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2qbb s ILE 106 N 11.34 2.25 0.00 5.15 2.07 -1.26 -2.70 121.20 138.05 2qbb s ILE 106 Ca 0.69 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 60.08 2qbb s ILE 106 Cb 0.01 -2.95 0.00 0.00 0.13 0.00 0.00 42.46 39.65 2qbb s ILE 106 CO 0.15 -0.04 0.00 0.35 -1.91 0.00 0.00 174.94 173.49 2qbb n THR 107 N -2.09 0.00 -4.84 4.00 -2.24 -0.92 -4.87 114.28 103.32 2qbb n THR 107 Ca 0.15 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.60 2qbb n THR 107 Cb 0.49 -0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 2qbb n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2qbb s ASN 108 N 0.14 3.94 -0.20 3.42 -0.87 -1.26 -5.00 114.94 115.10 2qbb s ASN 108 Ca 0.00 -0.31 -0.04 0.00 -1.57 0.00 0.00 52.86 50.94 2qbb s ASN 108 Cb 0.00 -1.41 -0.01 0.00 -0.02 0.00 0.00 41.25 39.81 2qbb s ASN 108 CO 0.00 0.21 -0.04 -0.63 -2.57 0.00 0.00 177.10 174.06 2qbb s ILE 109 N 0.09 3.47 0.03 0.60 1.01 -1.26 0.95 121.20 126.08 2qbb s ILE 109 Ca -0.06 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2qbb s ILE 109 Cb -0.15 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2qbb s ILE 109 CO 0.05 0.44 -0.11 0.42 0.00 0.00 0.00 174.94 175.73 2qbb s THR 110 N 1.21 0.88 -0.54 2.92 -4.23 0.92 -4.97 115.64 111.83 2qbb s THR 110 Ca 0.03 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.54 2qbb s THR 110 Cb -0.14 -0.81 0.10 0.00 1.34 0.00 0.00 72.50 72.99 2qbb s THR 110 CO -0.01 -0.01 0.58 -0.62 -0.54 0.00 0.00 174.62 174.02 2qbb s ASP 111 N -0.93 6.19 -0.04 3.99 2.15 -1.26 -1.33 116.67 125.44 2qbb s ASP 111 Ca 0.00 -1.41 0.05 0.00 0.43 0.00 0.00 52.55 51.62 2qbb s ASP 111 Cb -0.07 -2.25 0.20 0.00 -0.30 0.00 0.00 42.92 40.50 2qbb s ASP 111 CO 0.01 -0.91 0.96 1.33 -0.17 0.00 0.00 175.17 176.38 2qbb n VAL 112 N 5.42 0.54 -1.54 1.11 0.24 0.47 -4.90 118.33 119.67 2qbb n VAL 112 Ca -0.11 -0.33 -0.48 0.00 -2.04 0.00 0.00 64.34 61.38 2qbb n VAL 112 Cb 0.43 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 2qbb n VAL 112 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2qbb n THR 113 N 0.13 0.31 -2.09 3.34 -1.04 -1.11 -4.70 114.28 109.12 2qbb n THR 113 Ca 0.07 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 2qbb n THR 113 Cb 0.37 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 2qbb n THR 113 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2qbb s PRO 114 N 5.79 4.31 -0.24 -2.82 0.04 -1.26 -4.88 135.00 135.93 2qbb s PRO 114 Ca 1.04 2.20 -0.04 0.00 0.04 0.00 0.00 61.00 64.24 2qbb s PRO 114 Cb -0.69 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 30.78 2qbb s PRO 114 CO 0.46 -0.40 0.16 0.96 0.04 0.00 0.00 177.00 178.23 2qbb s ILE 115 N 0.37 -0.17 0.37 0.56 -5.25 -1.26 -4.98 121.20 110.84 2qbb s ILE 115 Ca 0.61 -0.45 -0.27 0.00 -0.99 0.00 0.00 60.65 59.55 2qbb s ILE 115 Cb -0.40 -0.82 -0.09 0.00 2.95 0.00 0.00 42.46 44.10 2qbb s ILE 115 CO 0.38 -0.48 1.21 -2.16 -1.79 0.00 0.00 174.94 172.09 2qbb s PRO 116 N 2.19 4.18 -0.33 0.37 0.04 -1.26 -4.91 135.00 135.28 2qbb s PRO 116 Ca 0.07 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 2qbb s PRO 116 Cb -0.16 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.45 2qbb s PRO 116 CO -0.25 -0.25 3.18 0.72 0.04 0.00 0.00 177.00 180.45 2qbb n HIS 117 N 0.36 0.90 -2.08 0.56 8.25 -1.26 -4.73 115.22 117.22 2qbb n HIS 117 Ca 0.03 -1.82 -0.02 0.00 -0.26 0.00 0.00 57.72 55.65 2qbb n HIS 117 Cb 0.45 -1.56 -0.01 0.00 1.12 0.00 0.00 29.99 29.98 2qbb n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qbb n ASN 118 N 1.84 -2.77 0.00 0.41 5.03 -1.26 -5.08 115.26 113.42 2qbb n ASN 118 Ca 0.48 0.71 0.00 0.00 0.87 0.00 0.00 54.58 56.64 2qbb n ASN 118 Cb 0.70 -3.20 0.00 0.00 -1.02 0.00 0.00 39.78 36.26 2qbb n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qbb n GLY 119 N 0.66 -0.05 3.77 7.41 0.00 -1.26 -5.11 105.19 110.60 2qbb n GLY 119 Ca -0.13 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2qbb n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbb s ARG 121 N -1.84 3.83 0.73 0.00 3.52 -1.26 -5.03 118.95 118.90 2qbb s ARG 121 Ca 0.49 0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 56.53 2qbb s ARG 121 Cb -0.25 -3.82 0.04 0.00 -1.56 0.00 0.00 34.95 29.37 2qbb s ARG 121 CO 0.31 -1.00 1.24 -1.25 -0.81 0.00 0.00 175.30 173.79 2qbb s PRO 122 N 3.60 2.09 0.31 5.12 0.04 -1.26 -4.95 135.00 139.95 2qbb s PRO 122 Ca 0.40 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 2qbb s PRO 122 Cb -0.11 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2qbb s PRO 122 CO 0.20 -1.90 1.23 -1.25 0.04 0.00 0.00 177.00 175.32 2qbb s PRO 123 N -3.79 4.47 0.00 0.56 0.04 -1.26 -4.97 135.00 130.05 2qbb s PRO 123 Ca 0.77 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2qbb s PRO 123 Cb -0.32 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2qbb s PRO 123 CO 0.45 -0.03 0.92 1.63 0.04 0.00 0.00 177.00 180.01 2qbb n LYS 124 N 1.00 0.00 -0.18 4.56 4.76 -1.26 -4.89 118.16 122.15 2qbb n LYS 124 Ca -0.00 0.68 0.02 0.00 -2.87 0.00 0.00 58.31 56.14 2qbb n LYS 124 Cb 0.43 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.19 2qbb n LYS 124 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qbb n LYS 125 N -2.24 -0.36 0.00 1.97 5.02 -1.26 -4.89 118.16 116.40 2qbb n LYS 125 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2qbb n LYS 125 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 2qbb n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbb n ARG 126 N -1.44 0.00 -3.06 1.97 5.12 -1.26 -4.95 116.66 113.04 2qbb n ARG 126 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 2qbb n ARG 126 Cb 0.08 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.35 2qbb n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbb n ARG 127 N 1.14 0.66 0.00 5.56 0.00 -1.26 -5.26 116.66 117.51 2qbb n ARG 127 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 57.85 55.15 2qbb n ARG 127 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.11 2qbb n ARG 127 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96