#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n GLN 2 N 0.00 0.00 -1.77 2.12 6.02 -1.26 -0.35 117.38 122.13 2qba n GLN 2 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2qba n GLN 2 Cb 0.00 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.26 2qba n GLN 2 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2qba n VAL 3 N -1.63 -4.65 -2.41 5.09 0.24 -1.26 -4.02 118.33 109.68 2qba n VAL 3 Ca 0.00 2.15 -0.37 0.00 -2.04 0.00 0.00 64.34 64.08 2qba n VAL 3 Cb 0.00 -2.83 -0.03 0.00 -1.47 0.00 0.00 33.84 29.51 2qba n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qba s ILE 4 N -2.33 3.43 0.00 1.34 1.09 -0.06 -3.17 121.20 121.50 2qba s ILE 4 Ca 0.00 1.12 0.00 0.00 -1.10 0.00 0.00 60.65 60.67 2qba s ILE 4 Cb 0.00 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 2qba s ILE 4 CO 0.00 0.03 0.00 0.18 -0.10 0.00 0.00 174.94 175.05 2qba n LEU 5 N -0.12 0.00 0.00 2.97 4.77 0.13 -0.73 117.00 124.03 2qba n LEU 5 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2qba n LEU 5 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2qba n LEU 5 CO 0.47 -0.57 0.00 -0.11 -1.33 0.00 0.00 177.39 175.85 2qba n LEU 6 N 0.00 0.00 0.00 2.23 0.00 -1.04 -3.98 117.00 114.21 2qba n LEU 6 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 56.01 55.97 2qba n LEU 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2qba n LEU 6 CO 0.00 0.15 0.00 -0.67 0.00 0.00 0.00 177.39 176.87 2qba n ASP 7 N 0.00 1.03 0.00 1.96 2.03 -1.26 -4.76 116.55 115.55 2qba n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qba n ASP 7 Cb 0.10 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2qba n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2qba n LYS 8 N 0.00 0.00 -1.90 -0.67 4.81 -1.26 -1.45 118.16 117.70 2qba n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2qba n LYS 8 Cb 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 34.53 2qba n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qba n VAL 9 N -0.02-10.99 0.00 3.15 0.31 -1.26 -2.81 118.33 106.70 2qba n VAL 9 Ca 0.00 3.02 0.00 0.00 -0.01 0.00 0.00 64.34 67.35 2qba n VAL 9 Cb 0.00 -4.81 0.00 0.00 -0.91 0.00 0.00 33.84 28.12 2qba n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qba n ALA 10 N 1.44 0.00 0.02 3.52 0.00 -1.26 -2.14 120.51 122.09 2qba n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qba n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qba n ASN 11 N 0.00 0.06 -1.21 0.00 4.13 -1.26 -1.81 115.26 115.17 2qba n ASN 11 Ca 0.00 -0.05 -0.03 0.00 1.68 0.00 0.00 54.58 56.18 2qba n ASN 11 Cb 0.00 -0.01 -0.00 0.00 -1.54 0.00 0.00 39.78 38.23 2qba n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qba n LEU 12 N 0.89 -0.59 -4.54 3.41 -0.00 -1.26 -5.15 117.00 109.75 2qba n LEU 12 Ca 0.00 -1.40 -0.25 0.00 -0.00 0.00 0.00 56.01 54.36 2qba n LEU 12 Cb 0.01 0.18 -0.11 0.00 -0.00 0.00 0.00 43.42 43.51 2qba n LEU 12 CO 0.00 1.13 -0.29 -0.83 -0.00 0.00 0.00 177.39 177.40 2qba s GLY 13 N -0.53 2.30 0.00 1.47 0.00 -0.75 -4.93 107.32 104.88 2qba s GLY 13 Ca 0.02 -2.19 0.00 0.00 0.00 0.00 0.00 44.72 42.55 2qba s GLY 13 CO -0.02 -1.98 0.00 -1.26 0.00 0.00 0.00 173.10 169.84 2qba n SER 14 N -0.84 0.00 -2.06 1.64 2.88 -1.12 -4.94 113.62 109.17 2qba n SER 14 Ca -0.04 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.49 2qba n SER 14 Cb 0.67 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.12 2qba n SER 14 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qba n LEU 15 N 0.00 -5.42 -2.35 2.46 -0.00 -0.52 -4.80 117.00 106.37 2qba n LEU 15 Ca 0.00 2.07 -0.05 0.00 -0.00 0.00 0.00 56.01 58.04 2qba n LEU 15 Cb 0.00 -2.69 0.02 0.00 -0.00 0.00 0.00 43.42 40.75 2qba n LEU 15 CO 0.00 -2.35 0.08 0.61 -0.00 0.00 0.00 177.39 175.73 2qba n GLY 16 N 1.36 -0.38 3.16 -3.96 0.00 -1.26 -4.84 105.19 99.27 2qba n GLY 16 Ca -0.06 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2qba n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qba s ASP 17 N -2.93 -0.04 -0.71 1.61 1.11 -1.26 -4.83 116.67 109.62 2qba s ASP 17 Ca 0.14 0.82 -0.27 0.00 0.18 0.00 0.00 52.55 53.43 2qba s ASP 17 Cb -0.02 1.05 0.03 0.00 1.07 0.00 0.00 42.92 45.05 2qba s ASP 17 CO 0.38 -0.23 1.25 -1.58 1.18 0.00 0.00 175.17 176.16 2qba s GLN 18 N 2.44 3.23 -0.07 8.23 0.74 -1.26 0.21 119.66 133.18 2qba s GLN 18 Ca -0.01 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.23 2qba s GLN 18 Cb -0.12 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.84 2qba s GLN 18 CO -0.11 -2.06 -0.18 0.14 -0.55 0.00 0.00 175.29 172.53 2qba s VAL 19 N 5.52 1.55 -0.01 1.34 -7.23 -1.19 -4.94 120.40 115.45 2qba s VAL 19 Ca 0.35 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 2qba s VAL 19 Cb -0.08 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.44 2qba s VAL 19 CO 0.16 0.45 1.45 0.21 -0.31 0.00 0.00 175.10 177.06 2qba s ASN 20 N 0.34 6.81 0.19 4.85 3.84 -1.26 -4.27 114.94 125.43 2qba s ASN 20 Ca -0.12 2.15 0.00 0.00 0.21 0.00 0.00 52.86 55.10 2qba s ASN 20 Cb -0.15 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 2qba s ASN 20 CO 0.05 -0.76 0.06 0.54 -2.79 0.00 0.00 177.10 174.20 2qba s VAL 21 N 2.64 0.38 0.27 -5.21 0.11 0.52 -4.90 120.40 114.21 2qba s VAL 21 Ca 0.65 -1.97 -0.30 0.00 -2.93 0.00 0.00 61.98 57.44 2qba s VAL 21 Cb -0.32 -2.28 -0.10 0.00 -1.53 0.00 0.00 36.38 32.15 2qba s VAL 21 CO 0.27 -0.29 1.38 -0.54 -3.33 0.00 0.00 175.10 172.59 2qba s LYS 22 N -4.02 4.31 0.58 1.54 1.02 -1.26 -4.07 119.74 117.84 2qba s LYS 22 Ca 0.30 2.25 0.39 0.00 0.02 0.00 0.00 55.97 58.92 2qba s LYS 22 Cb 0.07 -3.11 2.07 0.00 -0.52 0.00 0.00 37.83 36.35 2qba s LYS 22 CO 0.07 -0.33 2.19 0.00 -0.92 0.00 0.00 175.35 176.35 2qba h ALA 23 N 4.52 1.00 0.00 5.17 0.00 -1.89 0.19 119.26 128.25 2qba h ALA 23 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2qba h ALA 23 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2qba h ALA 23 CO 0.74 0.00 -0.48 0.78 0.00 0.00 0.00 179.25 180.28 2qba h GLY 24 N 0.18 0.00 1.61 0.00 0.00 -1.97 -3.10 103.07 99.80 2qba h GLY 24 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2qba h GLY 24 CO 0.00 0.00 -0.98 -1.82 0.00 0.00 0.00 176.54 173.74 2qba h TYR 25 N 0.00 0.52 -2.80 5.60 5.03 -1.01 -3.40 116.97 120.91 2qba h TYR 25 Ca -0.00 -0.30 -0.45 0.00 2.58 0.00 0.00 58.73 60.56 2qba h TYR 25 Cb 1.35 -0.05 0.06 0.00 1.55 0.00 0.00 36.73 39.64 2qba h TYR 25 CO 0.00 1.14 0.06 0.00 -1.32 0.00 0.00 178.16 178.04 2qba s ALA 26 N -3.15 3.65 -0.81 1.82 0.00 -0.94 -0.04 121.76 122.29 2qba s ALA 26 Ca -0.05 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2qba s ALA 26 Cb 0.09 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2qba s ALA 26 CO 0.86 -1.04 0.00 0.54 0.00 0.00 0.00 175.76 176.12 2qba n ARG 27 N -2.60 -1.97 0.00 0.00 5.12 -1.26 -4.34 116.66 111.61 2qba n ARG 27 Ca 0.09 0.45 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 2qba n ARG 27 Cb 0.60 -4.87 0.00 0.00 -1.16 0.00 0.00 32.46 27.03 2qba n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qba n ASN 28 N -1.05 0.00 0.11 0.55 5.03 -1.26 -4.91 115.26 113.74 2qba n ASN 28 Ca -0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2qba n ASN 28 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2qba n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qba n PHE 29 N -0.03 -3.31 0.11 3.10 7.35 -0.93 -4.92 117.46 118.84 2qba n PHE 29 Ca 0.00 0.78 0.07 0.00 -0.76 0.00 0.00 57.45 57.54 2qba n PHE 29 Cb 0.00 2.15 0.36 0.00 0.35 0.00 0.00 39.48 42.34 2qba n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2qba n LEU 30 N -3.00 0.34 0.00 -2.13 4.77 0.95 -4.45 117.00 113.48 2qba n LEU 30 Ca 0.00 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2qba n LEU 30 Cb 0.00 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 2qba n LEU 30 CO 0.00 -0.74 0.00 0.52 -1.33 0.00 0.00 177.39 175.84 2qba n VAL 31 N -1.97 0.00 0.00 4.08 0.31 -1.26 -0.69 118.33 118.81 2qba n VAL 31 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2qba n VAL 31 Cb 0.10 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 2qba n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qba n PRO 32 N 0.00 0.00 0.00 5.55 -0.02 -1.26 -1.68 135.00 137.58 2qba n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qba n PRO 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2qba n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qba n GLN 33 N 0.00 0.00 0.00 -0.52 7.27 -1.26 -4.64 117.38 118.22 2qba n GLN 33 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2qba n GLN 33 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2qba n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qba n GLY 34 N 0.00 0.83 0.00 1.69 0.00 -0.68 -5.09 105.19 101.94 2qba n GLY 34 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qba n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qba n LYS 35 N 0.00 0.00 -3.79 1.61 4.76 -1.17 -4.90 118.16 114.68 2qba n LYS 35 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 2qba n LYS 35 Cb 0.00 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 2qba n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qba s ALA 36 N 0.00 -1.85 -0.14 7.82 0.00 0.14 -2.50 121.76 125.23 2qba s ALA 36 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 2qba s ALA 36 Cb 0.00 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.80 2qba s ALA 36 CO 0.00 -1.06 0.35 0.54 0.00 0.00 0.00 175.76 175.59 2qba s VAL 37 N -2.60 -0.02 0.20 0.00 0.11 0.10 -4.73 120.40 113.45 2qba s VAL 37 Ca 0.17 0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 59.00 2qba s VAL 37 Cb -0.00 -0.51 -0.16 0.00 -1.53 0.00 0.00 36.38 34.17 2qba s VAL 37 CO 0.02 0.03 0.91 -2.65 -3.33 0.00 0.00 175.10 170.07 2qba n PRO 38 N 3.82 0.74 -2.18 1.54 -0.02 -1.26 -0.88 135.00 136.76 2qba n PRO 38 Ca -0.21 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 2qba n PRO 38 Cb 0.55 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 2qba n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qba n ALA 39 N 0.65 5.03 -1.35 3.55 0.00 -1.26 -4.59 120.51 122.54 2qba n ALA 39 Ca 0.15 -4.06 -0.30 0.00 0.00 0.00 0.00 53.44 49.23 2qba n ALA 39 Cb 0.25 -3.32 0.11 0.00 0.00 0.00 0.00 19.45 16.50 2qba n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qba n THR 40 N 4.65 3.40 0.00 0.00 -2.24 -1.26 -4.83 114.28 114.00 2qba n THR 40 Ca 0.46 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 2qba n THR 40 Cb 0.39 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2qba n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qba n LYS 41 N -0.99 0.00 0.00 -0.78 4.01 -1.26 -4.47 118.16 114.67 2qba n LYS 41 Ca 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 2qba n LYS 41 Cb 1.00 -0.28 0.00 0.00 -0.51 0.00 0.00 35.03 35.24 2qba n LYS 41 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2qba n LYS 42 N 0.00 0.14 0.00 1.97 5.02 -1.26 0.51 118.16 124.55 2qba n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qba n LYS 42 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2qba n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qba n ASN 43 N -0.31 0.44 0.00 4.39 3.02 -1.26 -4.43 115.26 117.11 2qba n ASN 43 Ca 0.00 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2qba n ASN 43 Cb 0.01 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2qba n ASN 43 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2qba n ILE 44 N -0.10 0.00 0.15 2.41 -5.35 0.18 -4.52 119.36 112.14 2qba n ILE 44 Ca 0.00 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.55 2qba n ILE 44 Cb 0.38 0.00 0.40 0.00 -1.74 0.00 0.00 39.64 38.68 2qba n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2qba n GLU 45 N -1.18 0.10 -0.01 6.28 1.02 -0.50 0.21 120.64 126.56 2qba n GLU 45 Ca 0.00 0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 57.71 2qba n GLU 45 Cb 0.00 -2.01 -0.01 0.00 -0.02 0.00 0.00 31.44 29.40 2qba n GLU 45 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qba n PHE 46 N -2.06 0.00 -1.37 -0.32 -0.00 -0.68 -4.67 117.46 108.36 2qba n PHE 46 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.28 2qba n PHE 46 Cb 0.22 -0.06 0.17 0.00 -0.00 0.00 0.00 39.48 39.81 2qba n PHE 46 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2qba n PHE 47 N -2.13 2.20 0.16 -5.13 -0.00 -0.37 -4.59 117.46 107.60 2qba n PHE 47 Ca -0.02 -1.86 0.01 0.00 -0.00 0.00 0.00 57.45 55.58 2qba n PHE 47 Cb 0.54 -0.77 0.32 0.00 -0.00 0.00 0.00 39.48 39.57 2qba n PHE 47 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2qba h GLU 48 N 1.13 0.06 0.00 -4.13 9.09 0.21 -2.67 114.58 118.27 2qba h GLU 48 Ca 0.45 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.83 2qba h GLU 48 Cb 2.12 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.22 2qba h GLU 48 CO 0.82 0.44 0.37 0.00 0.05 0.00 0.00 179.01 180.69 2qba h ALA 49 N 1.56 1.31 -0.17 1.06 0.00 -1.82 -0.93 119.26 120.27 2qba h ALA 49 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2qba h ALA 49 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2qba h ALA 49 CO 0.05 -0.31 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 2qba h ARG 50 N 0.00 -0.28 -0.39 0.00 -0.00 -1.86 0.61 114.38 112.46 2qba h ARG 50 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2qba h ARG 50 Cb 0.73 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.77 2qba h ARG 50 CO 0.00 -0.19 0.00 0.54 0.00 0.00 0.00 179.97 180.32 2qba n ARG 51 N -5.38 1.91 0.00 0.04 1.74 -0.36 -3.53 116.66 111.09 2qba n ARG 51 Ca -0.02 -1.33 0.03 0.00 -0.77 0.00 0.00 57.85 55.77 2qba n ARG 51 Cb 0.29 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 2qba n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qba n ALA 52 N 0.55 2.89 -0.77 7.54 0.00 0.49 -4.37 120.51 126.84 2qba n ALA 52 Ca 0.12 -0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 52 Cb 0.33 -0.25 0.33 0.00 0.00 0.00 0.00 19.45 19.87 2qba n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qba n GLU 53 N -1.11 3.87 0.00 0.00 2.13 0.18 -1.70 120.64 124.01 2qba n GLU 53 Ca 0.01 -2.91 0.00 0.00 0.66 0.00 0.00 57.16 54.93 2qba n GLU 53 Cb 0.11 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 29.86 2qba n GLU 53 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2qba n LEU 54 N 0.51 0.00 -0.41 4.31 4.77 -1.26 -4.53 117.00 120.39 2qba n LEU 54 Ca 0.24 0.00 0.37 0.00 -0.03 0.00 0.00 56.01 56.59 2qba n LEU 54 Cb 0.96 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.75 2qba n LEU 54 CO 0.23 0.00 1.32 -0.08 -1.33 0.00 0.00 177.39 177.54 2qba h GLU 55 N 0.00 0.08 0.00 3.23 4.22 -1.82 1.08 114.58 121.37 2qba h GLU 55 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2qba h GLU 55 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qba h GLU 55 CO 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 179.01 176.88 2qba n ALA 56 N -2.71 -0.13 -0.19 2.92 0.00 -1.26 -4.21 120.51 114.93 2qba n ALA 56 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 2qba n ALA 56 Cb 1.35 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.82 2qba n ALA 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qba h LYS 57 N 0.00 0.93 -5.33 0.00 5.09 -0.98 -3.33 116.57 112.95 2qba h LYS 57 Ca 0.00 -0.27 -0.66 0.00 0.09 0.00 0.00 60.65 59.81 2qba h LYS 57 Cb 0.00 -0.10 -0.06 0.00 0.10 0.00 0.00 32.23 32.17 2qba h LYS 57 CO 0.00 0.92 2.37 -0.11 -2.09 0.00 0.00 179.45 180.54 2qba n LEU 58 N -4.32 5.27 0.00 7.07 0.00 0.37 -3.14 117.00 122.26 2qba n LEU 58 Ca 0.02 -3.90 0.00 0.00 0.00 0.00 0.00 56.01 52.13 2qba n LEU 58 Cb 0.29 -1.71 0.00 0.00 0.00 0.00 0.00 43.42 42.00 2qba n LEU 58 CO 0.42 0.24 0.00 0.00 0.00 0.00 0.00 177.39 178.05 2qba n ALA 59 N 8.20 0.03 0.00 1.96 0.00 -1.25 -4.44 120.51 125.01 2qba n ALA 59 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2qba n ALA 59 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2qba n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qba n GLU 60 N 0.00 0.00 0.14 0.00 -0.00 -1.19 -4.87 120.64 114.72 2qba n GLU 60 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.29 2qba n GLU 60 Cb 0.09 -0.15 0.37 0.00 -0.00 0.00 0.00 31.44 31.76 2qba n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2qba h VAL 61 N 0.00 0.00 0.00 3.84 3.04 -1.92 -3.33 116.25 117.88 2qba h VAL 61 Ca 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 65.11 2qba h VAL 61 Cb 0.00 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 2qba h VAL 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 2qba n LEU 62 N -2.48 2.82 -4.53 3.16 -0.00 -1.26 -4.88 117.00 109.83 2qba n LEU 62 Ca 0.05 -1.37 -0.52 0.00 -0.00 0.00 0.00 56.01 54.17 2qba n LEU 62 Cb 0.43 -0.62 -0.07 0.00 -0.00 0.00 0.00 43.42 43.16 2qba n LEU 62 CO 0.30 0.55 1.67 0.00 -0.00 0.00 0.00 177.39 179.91 2qba n ALA 63 N 1.89 0.81 -2.00 1.47 0.00 -1.25 -4.63 120.51 116.79 2qba n ALA 63 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qba n ALA 63 Cb 0.30 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2qba n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 64 N 8.52 0.00 1.33 0.00 0.00 -1.26 -4.97 120.51 124.14 2qba n ALA 64 Ca 0.36 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.94 2qba n ALA 64 Cb 0.22 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.38 2qba n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 65 N -3.00 2.40 0.24 0.00 0.00 -1.26 -3.43 120.51 115.46 2qba n ALA 65 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.45 2qba n ALA 65 Cb 0.00 -1.46 0.76 0.00 0.00 0.00 0.00 19.45 18.75 2qba n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qba h ASN 66 N 0.00 0.00 -0.03 0.00 -0.00 -1.93 -1.13 115.58 112.49 2qba h ASN 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2qba h ASN 66 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 2qba h ASN 66 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 177.43 2qba n ALA 67 N -1.88 2.20 -0.30 4.14 0.00 -1.22 -4.73 120.51 118.72 2qba n ALA 67 Ca -0.01 -1.92 0.05 0.00 0.00 0.00 0.00 53.44 51.56 2qba n ALA 67 Cb 0.08 -0.25 0.20 0.00 0.00 0.00 0.00 19.45 19.47 2qba n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h ARG 68 N 0.19 0.72 -0.96 0.00 2.47 -1.39 0.79 114.38 116.19 2qba h ARG 68 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2qba h ARG 68 Cb 0.82 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.93 2qba h ARG 68 CO 0.01 0.47 0.60 0.00 0.56 0.00 0.00 179.97 181.61 2qba h ALA 69 N 1.51 1.25 -0.27 0.04 0.00 -1.80 -0.55 119.26 119.43 2qba h ALA 69 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2qba h ALA 69 Cb 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qba h ALA 69 CO -0.30 0.66 0.00 -0.85 0.00 0.00 0.00 179.25 178.77 2qba n GLU 70 N -4.36 2.05 -0.10 0.00 0.00 -0.18 -4.09 120.64 113.97 2qba n GLU 70 Ca 0.11 -1.58 -0.11 0.00 0.00 0.00 0.00 57.16 55.57 2qba n GLU 70 Cb 0.04 -1.44 -0.12 0.00 0.00 0.00 0.00 31.44 29.92 2qba n GLU 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2qba n LYS 71 N 0.81 0.91 -3.18 3.44 3.00 0.26 -4.89 118.16 118.51 2qba n LYS 71 Ca 0.17 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 58.11 2qba n LYS 71 Cb 0.44 -1.45 -0.07 0.00 0.00 0.00 0.00 35.03 33.95 2qba n LYS 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2qba s ILE 72 N -2.43 4.93 0.00 3.15 1.10 -0.32 -4.57 121.20 123.06 2qba s ILE 72 Ca -0.17 0.21 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 2qba s ILE 72 Cb 0.06 -4.08 0.00 0.00 0.15 0.00 0.00 42.46 38.59 2qba s ILE 72 CO 0.64 -0.40 0.00 -0.46 -2.11 0.00 0.00 174.94 172.61 2qba n ASN 73 N 5.97 0.00 -3.91 4.50 2.04 -1.26 -4.69 115.26 117.91 2qba n ASN 73 Ca -0.03 -0.14 -0.42 0.00 -0.44 0.00 0.00 54.58 53.55 2qba n ASN 73 Cb 0.48 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.74 2qba n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qba n ALA 74 N 0.00 5.30 -3.94 -2.53 0.00 -1.26 -4.91 120.51 113.17 2qba n ALA 74 Ca 0.00 -4.77 -0.30 0.00 0.00 0.00 0.00 53.44 48.37 2qba n ALA 74 Cb 0.05 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.11 2qba n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qba s LEU 75 N -3.06 4.37 -0.55 0.00 1.43 -1.26 -5.05 118.68 114.56 2qba s LEU 75 Ca 0.33 -3.10 -0.26 0.00 -1.03 0.00 0.00 54.13 50.07 2qba s LEU 75 Cb 0.08 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 2qba s LEU 75 CO 0.06 -0.22 2.44 -0.62 0.23 0.00 0.00 176.35 178.25 2qba n GLU 76 N 3.00 0.93 -2.52 1.70 4.71 -1.26 -3.94 120.64 123.26 2qba n GLU 76 Ca 0.06 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.16 57.04 2qba n GLU 76 Cb 0.32 -3.31 0.01 0.00 -1.01 0.00 0.00 31.44 27.45 2qba n GLU 76 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2qba n THR 77 N 8.00 -1.94 -4.71 2.62 -1.04 -1.26 -4.97 114.28 110.97 2qba n THR 77 Ca 0.40 0.21 -0.25 0.00 -2.04 0.00 0.00 64.05 62.36 2qba n THR 77 Cb 0.50 -2.21 -0.14 0.00 -1.82 0.00 0.00 70.33 66.66 2qba n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qba s VAL 78 N -0.83 1.61 -0.45 12.58 1.01 -1.25 -5.09 120.40 127.97 2qba s VAL 78 Ca 0.12 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 61.07 2qba s VAL 78 Cb -0.01 -1.38 0.19 0.00 0.00 0.00 0.00 36.38 35.17 2qba s VAL 78 CO 0.28 0.26 0.73 0.42 0.00 0.00 0.00 175.10 176.78 2qba s THR 79 N -0.71 -0.91 0.14 3.92 -4.23 -1.25 -4.33 115.64 108.27 2qba s THR 79 Ca 0.07 -0.44 -0.28 0.00 -1.18 0.00 0.00 61.69 59.86 2qba s THR 79 Cb -0.08 0.00 -0.16 0.00 1.34 0.00 0.00 72.50 73.59 2qba s THR 79 CO 0.01 0.00 0.59 -0.38 -0.54 0.00 0.00 174.62 174.30 2qba n ILE 80 N 3.64 1.41 -4.03 2.99 5.41 -1.26 -2.71 119.36 124.82 2qba n ILE 80 Ca 0.14 -0.35 -0.31 0.00 1.00 0.00 0.00 62.75 63.22 2qba n ILE 80 Cb 0.57 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.35 2qba n ILE 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qba s ALA 81 N -0.70 2.52 -0.28 -1.39 0.00 -1.25 -0.56 121.76 120.11 2qba s ALA 81 Ca 0.64 -1.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 2qba s ALA 81 Cb -0.92 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 20.56 2qba s ALA 81 CO 0.51 -1.32 2.74 0.43 0.00 0.00 0.00 175.76 178.12 2qba n SER 82 N 4.44 6.08 -2.74 0.00 7.64 -1.26 -4.61 113.62 123.17 2qba n SER 82 Ca -0.09 -2.93 -0.04 0.00 1.01 0.00 0.00 58.87 56.81 2qba n SER 82 Cb 0.42 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 2qba n SER 82 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qba n LYS 83 N 1.20 -3.69 -3.63 1.43 4.76 -1.22 -3.28 118.16 113.73 2qba n LYS 83 Ca 0.39 2.86 -0.40 0.00 -2.87 0.00 0.00 58.31 58.30 2qba n LYS 83 Cb 0.64 -4.06 -0.11 0.00 -1.84 0.00 0.00 35.03 29.66 2qba n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qba s ALA 84 N -0.61 3.27 0.00 7.82 0.00 0.15 -2.57 121.76 129.82 2qba s ALA 84 Ca -0.20 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2qba s ALA 84 Cb 0.01 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.64 2qba s ALA 84 CO 0.60 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2qba n GLY 85 N 4.99 3.68 3.57 0.00 0.00 0.75 -3.86 105.19 114.31 2qba n GLY 85 Ca -0.13 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 2qba n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qba n ASP 86 N 0.00 -4.87 -1.13 1.61 8.00 -1.26 0.20 116.55 119.11 2qba n ASP 86 Ca 0.00 -0.58 -0.15 0.00 0.71 0.00 0.00 54.79 54.77 2qba n ASP 86 Cb 0.00 -4.98 -0.06 0.00 -0.02 0.00 0.00 41.12 36.05 2qba n ASP 86 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2qba n GLU 87 N -4.71 -1.50 0.00 -1.24 2.13 -1.26 -3.50 120.64 110.56 2qba n GLU 87 Ca -0.09 1.01 0.00 0.00 0.66 0.00 0.00 57.16 58.74 2qba n GLU 87 Cb 0.59 -5.36 0.00 0.00 0.27 0.00 0.00 31.44 26.94 2qba n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qba n GLY 88 N -0.22 -0.68 0.00 8.31 0.00 -0.99 -5.15 105.19 106.46 2qba n GLY 88 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2qba n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qba n LYS 89 N 0.00 2.57 -4.08 1.61 4.76 0.54 -4.97 118.16 118.59 2qba n LYS 89 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2qba n LYS 89 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2qba n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qba s LEU 90 N 0.00 1.55 -0.00 -0.35 1.02 -1.24 -0.18 118.68 119.48 2qba s LEU 90 Ca 0.00 -1.07 0.14 0.00 0.02 0.00 0.00 54.13 53.22 2qba s LEU 90 Cb 0.00 0.59 -0.16 0.00 0.02 0.00 0.00 46.19 46.64 2qba s LEU 90 CO 0.00 -0.77 0.56 0.49 0.02 0.00 0.00 176.35 176.65 2qba n PHE 91 N -0.12 0.00 -3.65 0.29 3.01 -1.06 -4.86 117.46 111.07 2qba n PHE 91 Ca -0.07 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.25 2qba n PHE 91 Cb 0.63 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.99 2qba n PHE 91 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2qba s GLY 92 N -2.48 -0.45 0.68 1.37 0.00 -1.20 -5.08 107.32 100.16 2qba s GLY 92 Ca 0.04 1.50 -0.02 0.00 0.00 0.00 0.00 44.72 46.25 2qba s GLY 92 CO 0.58 1.25 0.95 -0.56 0.00 0.00 0.00 173.10 175.31 2qba s SER 93 N -0.11 4.64 0.20 1.64 0.01 -1.26 -4.68 113.70 114.14 2qba s SER 93 Ca -0.03 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2qba s SER 93 Cb -0.03 -0.47 -0.06 0.00 0.21 0.00 0.00 66.02 65.67 2qba s SER 93 CO 0.03 -1.64 0.46 -0.63 0.41 0.00 0.00 173.24 171.86 2qba s ILE 94 N -3.08 5.08 0.00 1.44 -1.09 -1.20 -4.91 121.20 117.43 2qba s ILE 94 Ca 0.63 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 2qba s ILE 94 Cb -0.08 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2qba s ILE 94 CO 0.43 -0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 2qba n GLY 95 N -0.27 4.81 0.11 6.18 0.00 -1.26 -4.40 105.19 110.36 2qba n GLY 95 Ca -0.02 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 2qba n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qba n THR 96 N 0.00 1.53 0.16 2.61 -2.24 -1.26 -4.31 114.28 110.77 2qba n THR 96 Ca 0.00 -0.72 0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2qba n THR 96 Cb 0.00 -1.08 0.75 0.00 -2.10 0.00 0.00 70.33 67.90 2qba n THR 96 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qba h ARG 97 N 0.01 0.00 0.00 -0.78 2.43 -1.98 0.28 114.38 114.34 2qba h ARG 97 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2qba h ARG 97 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 2qba h ARG 97 CO 0.01 0.00 -0.85 0.38 -1.51 0.00 0.00 179.97 178.00 2qba h ASP 98 N 0.00 0.00 -0.18 -3.80 2.03 -1.95 -3.26 116.42 109.26 2qba h ASP 98 Ca 0.14 -0.14 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 2qba h ASP 98 Cb 1.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 2qba h ASP 98 CO -0.00 0.07 0.05 0.40 -1.03 0.00 0.00 179.24 178.73 2qba h ILE 99 N 0.00 0.95 0.00 4.15 1.08 -0.64 0.15 117.51 123.19 2qba h ILE 99 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2qba h ILE 99 Cb 0.86 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 2qba h ILE 99 CO 0.00 0.02 -0.77 0.00 -0.69 0.00 0.00 178.15 176.71 2qba n ALA 100 N -2.23 3.41 0.13 1.87 0.00 -1.11 -3.92 120.51 118.66 2qba n ALA 100 Ca -0.03 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.16 2qba n ALA 100 Cb 0.07 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.50 2qba n ALA 100 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2qba h ASP 101 N 0.00 0.00 0.00 0.00 3.58 -1.54 -3.35 116.42 115.11 2qba h ASP 101 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2qba h ASP 101 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2qba h ASP 101 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2qba n ALA 102 N -2.16 2.85 0.00 -0.78 0.00 0.49 -3.05 120.51 117.87 2qba n ALA 102 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qba n ALA 102 Cb 0.54 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2qba n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qba n VAL 103 N 1.43 0.00 -1.53 0.00 0.24 -1.26 -5.06 118.33 112.15 2qba n VAL 103 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 2qba n VAL 103 Cb 0.32 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.57 2qba n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2qba n THR 104 N -1.89 -0.02 0.00 3.34 5.66 -1.17 -2.56 114.28 117.63 2qba n THR 104 Ca 0.00 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2qba n THR 104 Cb 0.00 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 2qba n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qba n ALA 105 N 12.87 0.00 -0.80 1.79 0.00 -1.26 -4.96 120.51 128.15 2qba n ALA 105 Ca 0.54 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.06 2qba n ALA 105 Cb 0.29 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.86 2qba n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 106 N 0.00 2.23 0.00 0.00 0.00 -1.06 -4.97 120.51 116.71 2qba n ALA 106 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 53.44 51.23 2qba n ALA 106 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2qba n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 107 N -1.15 2.70 3.80 0.00 0.00 -1.26 -5.00 105.19 104.28 2qba n GLY 107 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2qba n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qba s VAL 108 N -1.11 4.63 0.27 1.61 1.01 -1.26 -5.01 120.40 120.54 2qba s VAL 108 Ca 0.00 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 2qba s VAL 108 Cb 0.00 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2qba s VAL 108 CO 0.00 0.54 0.61 -1.61 0.00 0.00 0.00 175.10 174.64 2qba s GLU 109 N -1.14 1.70 0.00 2.72 8.01 -1.26 -3.24 118.70 125.49 2qba s GLU 109 Ca 0.31 -1.14 0.00 0.00 0.01 0.00 0.00 54.97 54.15 2qba s GLU 109 Cb -0.20 0.55 0.00 0.00 -4.31 0.00 0.00 34.13 30.16 2qba s GLU 109 CO 0.21 -0.75 0.00 1.33 0.01 0.00 0.00 175.26 176.06 2qba n VAL 110 N -0.43 0.00 -4.41 2.63 0.24 -1.26 -5.06 118.33 110.04 2qba n VAL 110 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 2qba n VAL 110 Cb 0.60 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.88 2qba n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qba s ALA 111 N -1.91 3.18 -0.12 2.33 0.00 -1.26 -4.83 121.76 119.14 2qba s ALA 111 Ca 0.00 -2.07 0.07 0.00 0.00 0.00 0.00 51.96 49.96 2qba s ALA 111 Cb 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 2qba s ALA 111 CO 0.00 0.02 0.20 0.36 0.00 0.00 0.00 175.76 176.34 2qba n LYS 112 N -0.95 1.77 -0.23 0.00 -0.00 -1.26 -2.76 118.16 114.73 2qba n LYS 112 Ca -0.04 -0.04 0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2qba n LYS 112 Cb 0.64 -1.05 0.15 0.00 -0.00 0.00 0.00 35.03 34.77 2qba n LYS 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2qba n SER 113 N -1.55 2.14 -4.02 -5.58 7.64 -1.26 -4.62 113.62 106.38 2qba n SER 113 Ca -0.00 -2.13 -0.32 0.00 1.01 0.00 0.00 58.87 57.43 2qba n SER 113 Cb 0.16 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 62.90 2qba n SER 113 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2qba s GLU 114 N -1.63 2.03 0.00 1.43 0.41 -1.26 -4.85 118.70 114.83 2qba s GLU 114 Ca 0.22 -2.38 0.00 0.00 -0.41 0.00 0.00 54.97 52.41 2qba s GLU 114 Cb 0.13 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2qba s GLU 114 CO 0.12 -1.09 0.00 1.33 -0.49 0.00 0.00 175.26 175.13 2qba n VAL 115 N 3.57 0.00 -2.71 2.63 0.24 -1.26 -3.85 118.33 116.95 2qba n VAL 115 Ca 0.05 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.30 2qba n VAL 115 Cb 0.36 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.77 2qba n VAL 115 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2qba n ARG 116 N 0.00 0.38 -3.55 7.34 3.00 -1.25 -3.26 116.66 119.33 2qba n ARG 116 Ca 0.00 -1.35 -0.20 0.00 -0.00 0.00 0.00 57.85 56.30 2qba n ARG 116 Cb 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 32.46 31.55 2qba n ARG 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qba s LEU 117 N 0.38 -0.01 0.34 6.15 1.43 -1.26 -4.18 118.68 121.53 2qba s LEU 117 Ca 0.28 -0.19 0.13 0.00 -1.03 0.00 0.00 54.13 53.32 2qba s LEU 117 Cb 0.13 0.24 0.99 0.00 0.03 0.00 0.00 46.19 47.57 2qba s LEU 117 CO -0.12 -0.32 1.72 -0.65 0.23 0.00 0.00 176.35 177.22 2qba h PRO 118 N 8.34 0.47 0.00 1.29 0.11 -2.00 -3.42 132.00 136.79 2qba h PRO 118 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2qba h PRO 118 Cb 1.15 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qba h PRO 118 CO 0.26 0.31 0.00 0.09 -0.21 0.00 0.00 178.00 178.45 2qba n ASN 119 N -4.84 0.00 -3.71 -2.05 4.13 -1.26 -5.15 115.26 102.38 2qba n ASN 119 Ca 0.28 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.41 2qba n ASN 119 Cb 0.84 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.95 2qba n ASN 119 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2qba s GLY 120 N 0.00 -0.13 -0.42 7.41 0.00 -1.26 -5.10 107.32 107.82 2qba s GLY 120 Ca 0.00 0.99 -0.31 0.00 0.00 0.00 0.00 44.72 45.39 2qba s GLY 120 CO 0.00 1.49 2.30 -0.62 0.00 0.00 0.00 173.10 176.27 2qba n VAL 121 N 4.59 0.14 -0.18 1.40 0.31 -1.26 -4.93 118.33 118.40 2qba n VAL 121 Ca -0.19 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2qba n VAL 121 Cb 0.52 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2qba n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qba n LEU 122 N 11.59 0.00 -4.58 7.52 4.32 -1.26 -3.28 117.00 131.31 2qba n LEU 122 Ca 0.41 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.98 2qba n LEU 122 Cb 0.32 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 2qba n LEU 122 CO 0.75 -1.17 1.15 -0.13 -1.22 0.00 0.00 177.39 176.76 2qba s ARG 123 N -2.58 3.43 0.00 3.23 1.81 -1.26 -4.63 118.95 118.94 2qba s ARG 123 Ca 0.00 0.29 0.00 0.00 -1.72 0.00 0.00 55.73 54.30 2qba s ARG 123 Cb 0.00 -4.06 0.00 0.00 -0.45 0.00 0.00 34.95 30.44 2qba s ARG 123 CO 0.00 -1.79 0.00 2.41 -0.68 0.00 0.00 175.30 175.24 2qba n THR 124 N 6.72 0.00 0.00 0.02 -1.04 -1.26 -4.70 114.28 114.02 2qba n THR 124 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2qba n THR 124 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 2qba n THR 124 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2qba n THR 125 N 0.00 0.00 -1.09 12.58 5.66 -1.26 -4.40 114.28 125.77 2qba n THR 125 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2qba n THR 125 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2qba n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qba n GLY 126 N 0.00 -3.88 2.89 1.09 0.00 -1.26 -3.92 105.19 100.10 2qba n GLY 126 Ca 0.00 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 2qba n GLY 126 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qba n GLU 127 N 1.78 0.00 -2.92 1.61 0.00 -1.26 -4.70 120.64 115.14 2qba n GLU 127 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.77 2qba n GLU 127 Cb 0.53 -1.29 -0.04 0.00 0.00 0.00 0.00 31.44 30.63 2qba n GLU 127 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2qba s HIS 128 N 6.18 3.47 -0.12 4.31 5.65 -0.47 -4.92 115.29 129.38 2qba s HIS 128 Ca 1.09 1.27 0.01 0.00 0.25 0.00 0.00 55.06 57.68 2qba s HIS 128 Cb -1.21 -2.97 -0.01 0.00 -1.18 0.00 0.00 32.58 27.21 2qba s HIS 128 CO 0.51 -0.15 -0.16 -1.21 -0.65 0.00 0.00 174.74 173.08 2qba s GLU 129 N 1.76 3.27 -0.42 2.88 8.01 -1.25 -2.99 118.70 129.96 2qba s GLU 129 Ca 0.39 -0.75 0.08 0.00 0.01 0.00 0.00 54.97 54.70 2qba s GLU 129 Cb -0.17 -2.54 0.28 0.00 -4.31 0.00 0.00 34.13 27.39 2qba s GLU 129 CO 0.15 0.18 0.75 1.33 0.01 0.00 0.00 175.26 177.68 2qba n VAL 130 N 3.58 -0.30 -1.10 2.63 0.24 -1.17 -4.63 118.33 117.58 2qba n VAL 130 Ca -0.18 -3.12 -0.32 0.00 -2.04 0.00 0.00 64.34 58.67 2qba n VAL 130 Cb 0.53 -0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.62 2qba n VAL 130 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qba n SER 131 N 1.05 0.25 -4.39 -1.34 7.64 -1.24 -3.89 113.62 111.70 2qba n SER 131 Ca 0.17 0.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.12 2qba n SER 131 Cb 0.61 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 2qba n SER 131 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2qba n PHE 132 N 7.64 0.60 -2.64 1.43 7.35 -1.26 -3.87 117.46 126.72 2qba n PHE 132 Ca 0.49 -0.11 -0.42 0.00 -0.76 0.00 0.00 57.45 56.65 2qba n PHE 132 Cb 0.02 -1.92 -0.03 0.00 0.35 0.00 0.00 39.48 37.90 2qba n PHE 132 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2qba s GLN 133 N 7.40 3.48 0.08 -4.13 -0.44 -1.20 -4.06 119.66 120.79 2qba s GLN 133 Ca 0.55 -1.03 -0.07 0.00 -2.50 0.00 0.00 55.36 52.32 2qba s GLN 133 Cb -0.03 -4.97 -0.24 0.00 -1.64 0.00 0.00 33.01 26.13 2qba s GLN 133 CO 0.13 -2.10 1.17 -0.24 0.50 0.00 0.00 175.29 174.75 2qba h VAL 134 N 6.43 1.42 -3.16 1.34 3.04 -1.79 -3.37 116.25 120.17 2qba h VAL 134 Ca 0.06 -2.79 -0.41 0.00 -1.01 0.00 0.00 66.70 62.56 2qba h VAL 134 Cb 1.02 2.78 -0.14 0.00 -2.01 0.00 0.00 31.29 32.95 2qba h VAL 134 CO 1.33 0.82 -0.66 -1.00 -1.01 0.00 0.00 177.57 177.05 2qba s HIS 135 N -2.86 1.66 -0.89 3.17 3.76 -1.25 -4.94 115.29 113.93 2qba s HIS 135 Ca -0.06 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 53.84 2qba s HIS 135 Cb 0.07 -0.96 -0.09 0.00 1.11 0.00 0.00 32.58 32.70 2qba s HIS 135 CO 0.89 0.03 2.05 0.43 -0.85 0.00 0.00 174.74 177.29 2qba n SER 136 N -0.46 3.91 0.00 1.40 7.64 -1.26 -2.70 113.62 122.15 2qba n SER 136 Ca -0.05 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2qba n SER 136 Cb 0.64 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2qba n SER 136 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2qba n GLU 137 N 5.48 0.00 -3.11 1.43 4.07 -1.26 -5.13 120.64 122.12 2qba n GLU 137 Ca 0.48 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 57.18 2qba n GLU 137 Cb 0.26 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.58 2qba n GLU 137 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qba s VAL 138 N 0.00 5.03 0.00 6.31 -7.23 -1.10 -5.04 120.40 118.38 2qba s VAL 138 Ca 0.00 1.22 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 2qba s VAL 138 Cb 0.00 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2qba s VAL 138 CO 0.00 0.14 0.00 0.49 -0.31 0.00 0.00 175.10 175.42 2qba n PHE 139 N 4.80 0.00 -0.63 2.82 0.99 -1.26 -2.69 117.46 121.49 2qba n PHE 139 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2qba n PHE 139 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.98 2qba n PHE 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qba n ALA 140 N -3.00 0.00 -3.62 4.37 0.00 -1.26 -3.69 120.51 113.31 2qba n ALA 140 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2qba n ALA 140 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2qba n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qba s LYS 141 N -2.00 0.32 -0.23 0.00 3.01 -1.26 -3.66 119.74 115.91 2qba s LYS 141 Ca 0.00 0.63 -0.02 0.00 -1.01 0.00 0.00 55.97 55.57 2qba s LYS 141 Cb 0.00 -0.02 0.07 0.00 -1.01 0.00 0.00 37.83 36.87 2qba s LYS 141 CO 0.00 -0.14 0.05 0.08 0.51 0.00 0.00 175.35 175.85 2qba s VAL 142 N 1.13 0.69 0.03 3.17 1.01 -1.25 -4.71 120.40 120.46 2qba s VAL 142 Ca -0.08 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 2qba s VAL 142 Cb -0.08 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2qba s VAL 142 CO -0.09 -0.35 0.69 0.27 0.00 0.00 0.00 175.10 175.62 2qba s ILE 143 N 1.76 4.80 -0.04 2.22 -4.36 -1.23 -3.05 121.20 121.30 2qba s ILE 143 Ca 0.02 1.46 -0.04 0.00 -0.26 0.00 0.00 60.65 61.83 2qba s ILE 143 Cb -0.17 -4.03 0.01 0.00 1.25 0.00 0.00 42.46 39.51 2qba s ILE 143 CO -0.14 0.39 0.11 -0.69 0.24 0.00 0.00 174.94 174.86 2qba s VAL 144 N -0.16 0.01 -0.29 8.37 1.01 -1.16 -3.80 120.40 124.38 2qba s VAL 144 Ca 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 2qba s VAL 144 Cb -0.20 -0.20 0.14 0.00 0.00 0.00 0.00 36.38 36.12 2qba s VAL 144 CO 0.20 -0.06 0.31 0.20 0.00 0.00 0.00 175.10 175.76 2qba s ASN 145 N -0.16 1.49 0.26 3.32 -0.87 0.28 -1.36 114.94 117.90 2qba s ASN 145 Ca -0.02 -0.71 -0.31 0.00 -1.57 0.00 0.00 52.86 50.25 2qba s ASN 145 Cb -0.02 0.60 -0.12 0.00 -0.02 0.00 0.00 41.25 41.69 2qba s ASN 145 CO 0.00 -0.38 1.65 -0.69 -2.57 0.00 0.00 177.10 175.11 2qba s VAL 146 N 2.38 2.01 0.06 1.60 1.01 -0.85 -3.91 120.40 122.70 2qba s VAL 146 Ca 0.09 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2qba s VAL 146 Cb -0.14 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 2qba s VAL 146 CO -0.32 0.00 0.06 0.52 0.00 0.00 0.00 175.10 175.36 2qba n VAL 147 N 2.85 0.00 -3.09 2.92 0.31 -1.26 -4.59 118.33 115.47 2qba n VAL 147 Ca 0.11 -0.36 -0.25 0.00 -0.01 0.00 0.00 64.34 63.84 2qba n VAL 147 Cb 0.36 0.19 -0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2qba n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qba s ALA 148 N -2.01 3.61 -2.00 3.52 0.00 -1.25 0.33 121.76 123.96 2qba s ALA 148 Ca 0.06 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.32 2qba s ALA 148 Cb 0.00 -2.26 0.65 0.00 0.00 0.00 0.00 23.12 21.50 2qba s ALA 148 CO 0.04 -0.18 1.09 -0.85 0.00 0.00 0.00 175.76 175.85