#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n GLN 2 N 0.00 0.00 -1.59 2.12 1.13 -1.26 0.23 117.38 118.00 2qbe n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2qbe n GLN 2 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.21 2qbe n GLN 2 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2qbe n VAL 3 N -1.10 -4.54 -3.21 5.09 0.24 -1.26 -4.07 118.33 109.48 2qbe n VAL 3 Ca 0.00 2.10 -0.35 0.00 -2.04 0.00 0.00 64.34 64.05 2qbe n VAL 3 Cb 0.00 -3.04 -0.06 0.00 -1.47 0.00 0.00 33.84 29.28 2qbe n VAL 3 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2qbe s ILE 4 N -4.12 4.70 0.75 1.34 -4.36 0.23 -3.54 121.20 116.19 2qbe s ILE 4 Ca 0.00 1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 61.34 2qbe s ILE 4 Cb 0.00 -3.79 0.04 0.00 1.25 0.00 0.00 42.46 39.96 2qbe s ILE 4 CO 0.00 0.19 1.13 -0.76 0.24 0.00 0.00 174.94 175.74 2qbe s LEU 5 N -2.04 2.74 0.00 0.37 1.43 0.28 -0.79 118.68 120.66 2qbe s LEU 5 Ca 0.42 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2qbe s LEU 5 Cb -0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2qbe s LEU 5 CO 0.20 -1.58 0.45 0.18 0.23 0.00 0.00 176.35 175.83 2qbe n LEU 6 N -3.13 0.00 0.00 1.79 4.32 -0.65 -2.69 117.00 116.64 2qbe n LEU 6 Ca 0.07 -0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2qbe n LEU 6 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2qbe n LEU 6 CO 0.57 0.11 0.00 -0.67 -1.22 0.00 0.00 177.39 176.18 2qbe n ASP 7 N 0.00 0.00 0.00 -1.43 2.03 -1.25 -4.76 116.55 111.14 2qbe n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qbe n ASP 7 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2qbe n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2qbe n LYS 8 N 0.00 0.00 -2.52 -0.67 4.81 -1.26 -3.82 118.16 114.70 2qbe n LYS 8 Ca 0.00 0.07 -0.03 0.00 -0.87 0.00 0.00 58.31 57.48 2qbe n LYS 8 Cb 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 35.03 34.15 2qbe n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qbe n VAL 9 N -0.44-10.52 0.00 3.15 0.31 -1.26 -2.52 118.33 107.04 2qbe n VAL 9 Ca 0.00 2.35 0.00 0.00 -0.01 0.00 0.00 64.34 66.68 2qbe n VAL 9 Cb 0.00 -5.44 0.00 0.00 -0.91 0.00 0.00 33.84 27.49 2qbe n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbe n ALA 10 N 1.90 0.00 0.38 3.52 0.00 -1.26 -0.99 120.51 124.06 2qbe n ALA 10 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qbe n ALA 10 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2qbe n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbe n ASN 11 N 0.00 3.05 0.00 0.00 4.13 -1.26 -4.54 115.26 116.64 2qbe n ASN 11 Ca 0.00 -1.78 0.00 0.00 1.68 0.00 0.00 54.58 54.48 2qbe n ASN 11 Cb 0.00 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 2qbe n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbe n LEU 12 N 0.95 0.00 -3.19 3.41 -0.00 -0.16 -5.15 117.00 112.86 2qbe n LEU 12 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 2qbe n LEU 12 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.80 2qbe n LEU 12 CO 0.00 0.00 0.08 -0.83 -0.00 0.00 0.00 177.39 176.64 2qbe s GLY 13 N 0.00 -0.99 -0.02 1.47 0.00 -1.05 -4.05 107.32 102.69 2qbe s GLY 13 Ca 0.00 1.17 0.03 0.00 0.00 0.00 0.00 44.72 45.92 2qbe s GLY 13 CO 0.00 3.38 0.86 1.44 0.00 0.00 0.00 173.10 178.78 2qbe n SER 14 N 5.41 0.58 -2.39 1.64 7.64 -1.25 -4.91 113.62 120.34 2qbe n SER 14 Ca 0.01 -1.84 -0.06 0.00 1.01 0.00 0.00 58.87 58.00 2qbe n SER 14 Cb 0.52 -0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2qbe n SER 14 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qbe n LEU 15 N -0.27 -0.58 0.00 -3.43 -0.00 -1.26 -4.17 117.00 107.29 2qbe n LEU 15 Ca 0.02 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 2qbe n LEU 15 Cb 0.57 -1.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 2qbe n LEU 15 CO 0.00 -0.08 0.00 0.61 -0.00 0.00 0.00 177.39 177.92 2qbe n GLY 16 N -0.62 0.00 3.67 -3.96 0.00 -1.09 -4.78 105.19 98.40 2qbe n GLY 16 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2qbe n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qbe s ASP 17 N 0.00 4.68 -0.32 1.61 2.15 -1.26 -4.80 116.67 118.73 2qbe s ASP 17 Ca 0.00 -0.60 0.03 0.00 0.43 0.00 0.00 52.55 52.41 2qbe s ASP 17 Cb 0.00 -0.91 0.09 0.00 -0.30 0.00 0.00 42.92 41.80 2qbe s ASP 17 CO 0.00 -0.02 0.04 -1.58 -0.17 0.00 0.00 175.17 173.44 2qbe s GLN 18 N -3.71 1.44 -0.05 4.34 0.74 -1.26 0.99 119.66 122.16 2qbe s GLN 18 Ca 0.32 -1.67 0.06 0.00 0.05 0.00 0.00 55.36 54.11 2qbe s GLN 18 Cb -0.06 -2.97 -0.01 0.00 1.10 0.00 0.00 33.01 31.07 2qbe s GLN 18 CO 0.21 -0.90 -0.22 0.14 -0.55 0.00 0.00 175.29 173.97 2qbe s VAL 19 N 1.05 1.83 -0.89 1.34 -7.23 -1.23 -5.01 120.40 110.26 2qbe s VAL 19 Ca 0.08 -0.94 -0.24 0.00 -1.81 0.00 0.00 61.98 59.07 2qbe s VAL 19 Cb -0.19 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.25 2qbe s VAL 19 CO -0.10 0.51 1.33 0.21 -0.31 0.00 0.00 175.10 176.74 2qbe s ASN 20 N -0.13 6.36 0.23 4.85 3.84 -1.25 -4.29 114.94 124.55 2qbe s ASN 20 Ca -0.03 -1.09 0.08 0.00 0.21 0.00 0.00 52.86 52.04 2qbe s ASN 20 Cb -0.13 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.99 2qbe s ASN 20 CO 0.03 -1.60 0.04 0.54 -2.79 0.00 0.00 177.10 173.32 2qbe s VAL 21 N 5.04 3.77 0.29 -5.21 0.11 0.13 -4.84 120.40 119.69 2qbe s VAL 21 Ca 0.39 -1.63 -0.30 0.00 -2.93 0.00 0.00 61.98 57.51 2qbe s VAL 21 Cb -0.04 -2.98 -0.13 0.00 -1.53 0.00 0.00 36.38 31.69 2qbe s VAL 21 CO 0.01 -0.28 1.35 0.29 -3.33 0.00 0.00 175.10 173.13 2qbe n LYS 22 N -0.71 2.07 0.08 1.54 5.02 -1.26 -3.87 118.16 121.03 2qbe n LYS 22 Ca -0.08 0.73 0.06 0.00 -2.02 0.00 0.00 58.31 57.01 2qbe n LYS 22 Cb 0.57 -2.35 0.32 0.00 -0.02 0.00 0.00 35.03 33.56 2qbe n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbe n ALA 23 N 1.17 1.15 0.07 7.82 0.00 -1.26 -1.48 120.51 127.98 2qbe n ALA 23 Ca 0.08 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 2qbe n ALA 23 Cb 0.34 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 2qbe n ALA 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qbe h GLY 24 N 0.48 0.42 2.00 0.00 0.00 -1.97 -3.13 103.07 100.87 2qbe h GLY 24 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.25 2qbe h GLY 24 CO 0.00 0.93 -0.06 -1.82 0.00 0.00 0.00 176.54 175.60 2qbe h TYR 25 N -0.22 0.00 -1.72 5.60 3.20 -1.62 -3.36 116.97 118.85 2qbe h TYR 25 Ca -0.17 0.00 -0.43 0.00 3.14 0.00 0.00 58.73 61.27 2qbe h TYR 25 Cb 1.77 0.00 0.02 0.00 1.54 0.00 0.00 36.73 40.06 2qbe h TYR 25 CO 0.18 0.06 -0.26 0.00 -1.64 0.00 0.00 178.16 176.50 2qbe s ALA 26 N -4.45 4.34 -1.33 1.82 0.00 -1.04 -2.09 121.76 119.00 2qbe s ALA 26 Ca -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2qbe s ALA 26 Cb 0.14 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2qbe s ALA 26 CO 0.57 -0.25 0.00 0.54 0.00 0.00 0.00 175.76 176.62 2qbe n ARG 27 N -1.84 -1.50 0.00 0.00 5.12 -1.26 -4.42 116.66 112.76 2qbe n ARG 27 Ca 0.05 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 2qbe n ARG 27 Cb 0.59 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.82 2qbe n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qbe n ASN 28 N -0.67 0.00 0.14 0.55 5.03 -1.26 -4.90 115.26 114.15 2qbe n ASN 28 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2qbe n ASN 28 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 2qbe n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qbe n PHE 29 N 0.00 -3.61 -0.04 3.10 7.35 -1.12 -4.93 117.46 118.21 2qbe n PHE 29 Ca 0.00 0.90 0.14 0.00 -0.76 0.00 0.00 57.45 57.74 2qbe n PHE 29 Cb 0.00 2.42 0.57 0.00 0.35 0.00 0.00 39.48 42.82 2qbe n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2qbe h LEU 30 N 0.00 0.23 0.00 -2.13 3.38 -1.76 -3.34 115.31 111.69 2qbe h LEU 30 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qbe h LEU 30 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qbe h LEU 30 CO 0.00 0.13 0.00 0.52 0.09 0.00 0.00 178.44 179.18 2qbe n VAL 31 N -4.45 0.00 -1.13 1.22 0.31 -1.26 0.14 118.33 113.16 2qbe n VAL 31 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2qbe n VAL 31 Cb 0.43 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 2qbe n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qbe n PRO 32 N 0.00 -0.03 0.00 5.55 -0.02 -1.26 -3.49 135.00 135.75 2qbe n PRO 32 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2qbe n PRO 32 Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 2qbe n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qbe n GLN 33 N -0.23 0.00 -1.01 -0.52 -0.06 -1.25 -4.35 117.38 109.96 2qbe n GLN 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2qbe n GLN 33 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2qbe n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qbe n GLY 34 N 0.00 -0.12 0.00 1.69 0.00 -1.23 -5.05 105.19 100.48 2qbe n GLY 34 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2qbe n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 35 N -0.46 0.16 -3.60 1.61 4.76 -0.44 -4.99 118.16 115.20 2qbe n LYS 35 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2qbe n LYS 35 Cb 0.12 -0.01 -0.02 0.00 -1.84 0.00 0.00 35.03 33.28 2qbe n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbe s ALA 36 N 0.00 -2.08 -0.02 7.82 0.00 0.37 -1.63 121.76 126.22 2qbe s ALA 36 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.62 2qbe s ALA 36 Cb 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2qbe s ALA 36 CO 0.00 -0.54 -0.03 0.54 0.00 0.00 0.00 175.76 175.72 2qbe s VAL 37 N -2.20 0.37 0.41 0.00 0.11 0.03 -4.18 120.40 114.95 2qbe s VAL 37 Ca 0.09 -0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 58.82 2qbe s VAL 37 Cb -0.01 -0.38 -0.14 0.00 -1.53 0.00 0.00 36.38 34.32 2qbe s VAL 37 CO -0.04 0.15 0.41 -2.65 -3.33 0.00 0.00 175.10 169.64 2qbe n PRO 38 N 3.62 0.38 -2.77 1.54 -0.02 -1.26 0.74 135.00 137.22 2qbe n PRO 38 Ca -0.21 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 2qbe n PRO 38 Cb 0.54 -1.34 -0.01 0.00 -0.02 0.00 0.00 33.50 32.67 2qbe n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbe s ALA 39 N -1.51 3.56 -0.30 3.55 0.00 -1.26 -4.39 121.76 121.41 2qbe s ALA 39 Ca 0.62 -3.03 0.03 0.00 0.00 0.00 0.00 51.96 49.59 2qbe s ALA 39 Cb -0.62 -4.35 0.08 0.00 0.00 0.00 0.00 23.12 18.23 2qbe s ALA 39 CO 0.59 -3.07 -0.02 0.95 0.00 0.00 0.00 175.76 174.21 2qbe s THR 40 N 2.99 2.13 0.00 0.00 -4.23 -1.26 -4.80 115.64 110.47 2qbe s THR 40 Ca 0.46 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2qbe s THR 40 Cb -0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2qbe s THR 40 CO 0.01 -0.33 0.00 0.29 -0.54 0.00 0.00 174.62 174.05 2qbe n LYS 41 N 4.38 0.00 -0.33 3.99 4.01 -1.26 0.14 118.16 129.08 2qbe n LYS 41 Ca -0.05 0.00 0.17 0.00 -0.51 0.00 0.00 58.31 57.92 2qbe n LYS 41 Cb 0.42 0.00 0.33 0.00 -0.51 0.00 0.00 35.03 35.27 2qbe n LYS 41 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2qbe n LYS 42 N 0.00 -0.07 0.00 1.97 5.02 -1.26 0.48 118.16 124.29 2qbe n LYS 42 Ca 0.00 1.43 0.04 0.00 -2.02 0.00 0.00 58.31 57.76 2qbe n LYS 42 Cb 0.00 -2.32 0.24 0.00 -0.02 0.00 0.00 35.03 32.93 2qbe n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qbe n ASN 43 N -5.40 0.00 0.02 4.39 3.02 0.37 -3.24 115.26 114.42 2qbe n ASN 43 Ca 0.25 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2qbe n ASN 43 Cb 0.82 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.99 2qbe n ASN 43 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2qbe n ILE 44 N -0.67 0.00 0.19 2.41 -5.35 1.72 -4.58 119.36 113.08 2qbe n ILE 44 Ca 0.06 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.55 2qbe n ILE 44 Cb 0.03 -0.03 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 2qbe n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2qbe n GLU 45 N -2.60 0.10 0.00 6.28 -0.58 1.14 0.13 120.64 125.11 2qbe n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbe n GLU 45 Cb 0.00 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2qbe n GLU 45 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qbe n PHE 46 N -0.67 0.00 -2.11 -0.32 3.72 -1.13 -4.84 117.46 112.12 2qbe n PHE 46 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 2qbe n PHE 46 Cb 0.00 0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 2qbe n PHE 46 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qbe n PHE 47 N 0.00 0.00 -0.03 1.38 3.72 0.17 -4.91 117.46 117.79 2qbe n PHE 47 Ca 0.00 -0.37 0.02 0.00 -0.05 0.00 0.00 57.45 57.05 2qbe n PHE 47 Cb 0.40 0.28 -0.15 0.00 -0.94 0.00 0.00 39.48 39.07 2qbe n PHE 47 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2qbe n GLU 48 N 0.11 0.66 0.12 -1.08 0.00 0.35 -4.21 120.64 116.58 2qbe n GLU 48 Ca -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 57.16 56.97 2qbe n GLU 48 Cb 0.76 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 30.62 2qbe n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbe h ALA 49 N 1.57 0.63 -0.60 -1.84 0.00 -1.91 -3.17 119.26 113.95 2qbe h ALA 49 Ca -0.21 -0.56 0.17 0.00 0.00 0.00 0.00 54.91 54.31 2qbe h ALA 49 Cb 1.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2qbe h ALA 49 CO 0.02 0.74 0.45 0.00 0.00 0.00 0.00 179.25 180.46 2qbe h ARG 50 N 0.00 0.00 0.00 0.00 -0.00 -1.93 1.40 114.38 113.85 2qbe h ARG 50 Ca -0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2qbe h ARG 50 Cb 1.46 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.43 2qbe h ARG 50 CO 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 179.97 180.02 2qbe h ARG 51 N 0.00 0.00 -0.07 0.04 -0.00 -1.78 -3.26 114.38 109.31 2qbe h ARG 51 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.76 2qbe h ARG 51 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 2qbe h ARG 51 CO -0.00 0.74 0.00 0.00 0.00 0.00 0.00 179.97 180.71 2qbe n ALA 52 N -2.67 2.32 -1.82 0.04 0.00 -0.32 -4.14 120.51 113.93 2qbe n ALA 52 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 2qbe n ALA 52 Cb 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 2qbe n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbe n GLU 53 N -0.45 3.71 0.00 0.00 2.13 0.47 -3.80 120.64 122.70 2qbe n GLU 53 Ca 0.00 -3.06 0.00 0.00 0.66 0.00 0.00 57.16 54.76 2qbe n GLU 53 Cb 0.02 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.31 2qbe n GLU 53 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2qbe n LEU 54 N 1.25 0.00 -0.50 4.31 -0.00 -1.26 -4.49 117.00 116.31 2qbe n LEU 54 Ca 0.56 0.00 0.41 0.00 -0.00 0.00 0.00 56.01 56.98 2qbe n LEU 54 Cb 0.37 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.49 2qbe n LEU 54 CO 0.53 0.00 1.31 -0.08 -0.00 0.00 0.00 177.39 179.14 2qbe h GLU 55 N 0.00 0.05 0.04 1.47 4.57 -1.79 0.24 114.58 119.16 2qbe h GLU 55 Ca 0.00 -0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.80 2qbe h GLU 55 Cb 0.00 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 2qbe h GLU 55 CO 0.00 0.03 -2.31 0.00 -1.18 0.00 0.00 179.01 175.56 2qbe n ALA 56 N -2.64 1.27 -0.02 2.92 0.00 -1.25 -4.66 120.51 116.13 2qbe n ALA 56 Ca 0.39 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.85 2qbe n ALA 56 Cb 1.58 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 20.71 2qbe n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbe n LYS 57 N -3.30 0.16 -0.77 0.00 -0.00 0.21 -4.52 118.16 109.96 2qbe n LYS 57 Ca -0.40 0.07 -0.22 0.00 -0.00 0.00 0.00 58.31 57.75 2qbe n LYS 57 Cb 1.02 -0.73 -0.02 0.00 -0.00 0.00 0.00 35.03 35.30 2qbe n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2qbe n LEU 58 N -3.18 5.08 0.00 -5.58 7.94 0.59 -1.99 117.00 119.86 2qbe n LEU 58 Ca -0.04 -2.94 0.00 0.00 -1.11 0.00 0.00 56.01 51.92 2qbe n LEU 58 Cb 0.16 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.00 2qbe n LEU 58 CO 0.07 0.73 0.00 0.00 -1.11 0.00 0.00 177.39 177.08 2qbe n ALA 59 N 4.06 0.01 0.00 1.96 0.00 -0.98 -4.41 120.51 121.16 2qbe n ALA 59 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2qbe n ALA 59 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2qbe n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbe n GLU 60 N -0.20 3.34 -0.03 0.00 -0.00 -0.84 -4.73 120.64 118.17 2qbe n GLU 60 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.21 2qbe n GLU 60 Cb 0.00 -0.49 -0.16 0.00 -0.00 0.00 0.00 31.44 30.79 2qbe n GLU 60 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2qbe n VAL 61 N -0.66 0.39 -1.34 3.84 3.14 -0.84 -4.79 118.33 118.06 2qbe n VAL 61 Ca 0.00 -0.59 -0.24 0.00 -2.96 0.00 0.00 64.34 60.55 2qbe n VAL 61 Cb 0.00 -0.13 -0.11 0.00 -1.06 0.00 0.00 33.84 32.54 2qbe n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbe n LEU 62 N -2.38 1.47 -1.66 6.55 -0.00 -1.26 -4.62 117.00 115.10 2qbe n LEU 62 Ca -0.12 -2.31 0.06 0.00 -0.00 0.00 0.00 56.01 53.64 2qbe n LEU 62 Cb 0.73 -1.42 0.34 0.00 -0.00 0.00 0.00 43.42 43.07 2qbe n LEU 62 CO 0.44 -3.04 0.78 0.00 -0.00 0.00 0.00 177.39 175.57 2qbe n ALA 63 N 16.55 3.64 -0.43 1.47 0.00 -1.26 -4.40 120.51 136.08 2qbe n ALA 63 Ca 0.43 -1.60 0.35 0.00 0.00 0.00 0.00 53.44 52.62 2qbe n ALA 63 Cb 0.46 -1.10 0.64 0.00 0.00 0.00 0.00 19.45 19.44 2qbe n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ALA 64 N 3.71 2.72 0.00 0.00 0.00 -2.02 -3.37 119.26 120.30 2qbe h ALA 64 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qbe h ALA 64 Cb 1.72 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2qbe h ALA 64 CO 0.40 -1.29 0.00 0.00 0.00 0.00 0.00 179.25 178.37 2qbe n ALA 65 N -2.55 0.00 0.29 0.00 0.00 -1.26 -4.95 120.51 112.04 2qbe n ALA 65 Ca 0.35 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.93 2qbe n ALA 65 Cb 1.35 0.00 0.75 0.00 0.00 0.00 0.00 19.45 21.54 2qbe n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qbe h ASN 66 N 0.00 0.00 -0.06 0.00 -0.00 -1.77 0.50 115.58 114.25 2qbe h ASN 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2qbe h ASN 66 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.40 2qbe h ASN 66 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 177.43 2qbe n ALA 67 N -1.83 2.51 -0.07 4.14 0.00 -1.26 -4.15 120.51 119.85 2qbe n ALA 67 Ca -0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 2qbe n ALA 67 Cb 0.31 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 2qbe n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ARG 68 N 0.41 -0.20 -0.91 0.00 2.47 -0.37 0.17 114.38 115.95 2qbe h ARG 68 Ca 0.00 0.01 0.22 0.00 -1.26 0.00 0.00 59.98 58.95 2qbe h ARG 68 Cb 0.09 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.34 2qbe h ARG 68 CO 0.00 -0.13 0.43 0.00 0.56 0.00 0.00 179.97 180.83 2qbe h ALA 69 N 0.91 1.48 -0.06 0.04 0.00 -1.83 0.11 119.26 119.90 2qbe h ALA 69 Ca 0.15 0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2qbe h ALA 69 Cb 0.44 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2qbe h ALA 69 CO -0.41 -0.30 -0.89 0.93 0.00 0.00 0.00 179.25 178.57 2qbe h GLU 70 N 0.45 0.62 -0.37 0.00 4.39 -1.49 -3.25 114.58 114.93 2qbe h GLU 70 Ca 0.57 -0.59 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2qbe h GLU 70 Cb 1.05 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2qbe h GLU 70 CO -0.50 1.20 0.00 0.87 -1.16 0.00 0.00 179.01 179.42 2qbe h LYS 71 N 0.38 0.59 -5.21 2.33 6.56 0.16 -3.39 116.57 117.99 2qbe h LYS 71 Ca -0.08 -0.13 -0.66 0.00 -1.06 0.00 0.00 60.65 58.71 2qbe h LYS 71 Cb 1.52 -0.08 -0.16 0.00 -0.57 0.00 0.00 32.23 32.94 2qbe h LYS 71 CO 0.17 0.61 0.18 -1.50 -2.06 0.00 0.00 179.45 176.85 2qbe s ILE 72 N -4.98 4.75 0.00 1.86 2.07 0.06 -4.48 121.20 120.48 2qbe s ILE 72 Ca -0.08 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2qbe s ILE 72 Cb 0.15 -4.35 0.00 0.00 0.13 0.00 0.00 42.46 38.39 2qbe s ILE 72 CO 0.78 -0.87 0.00 -0.46 -1.91 0.00 0.00 174.94 172.47 2qbe n ASN 73 N 6.50 0.00 -4.56 4.50 2.04 -1.26 -4.86 115.26 117.62 2qbe n ASN 73 Ca -0.04 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.81 2qbe n ASN 73 Cb 0.46 0.26 -0.05 0.00 -2.53 0.00 0.00 39.78 37.92 2qbe n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qbe s ALA 74 N -1.74 1.77 0.31 -2.53 0.00 -1.26 -4.91 121.76 113.40 2qbe s ALA 74 Ca 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 51.96 50.58 2qbe s ALA 74 Cb 0.00 -4.53 -0.06 0.00 0.00 0.00 0.00 23.12 18.53 2qbe s ALA 74 CO 0.00 -4.66 -0.09 -0.51 0.00 0.00 0.00 175.76 170.49 2qbe s LEU 75 N 9.70 2.63 -0.66 0.00 1.43 -1.26 -5.07 118.68 125.45 2qbe s LEU 75 Ca 0.68 -1.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2qbe s LEU 75 Cb -0.07 -0.88 0.35 0.00 0.03 0.00 0.00 46.19 45.63 2qbe s LEU 75 CO 0.01 -0.23 1.25 -1.84 0.23 0.00 0.00 176.35 175.77 2qbe n GLU 76 N -0.70 3.67 -2.15 1.70 0.00 -1.26 -4.89 120.64 117.01 2qbe n GLU 76 Ca -0.05 -4.63 -0.02 0.00 0.00 0.00 0.00 57.16 52.46 2qbe n GLU 76 Cb 0.63 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.78 2qbe n GLU 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2qbe n THR 77 N -0.29 -5.61 -1.76 3.84 -1.04 -1.26 -4.89 114.28 103.27 2qbe n THR 77 Ca 0.38 0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 62.15 2qbe n THR 77 Cb 0.41 -5.27 -0.03 0.00 -1.82 0.00 0.00 70.33 63.63 2qbe n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qbe s VAL 78 N -2.33 3.18 0.01 12.58 1.01 -1.26 -4.93 120.40 128.65 2qbe s VAL 78 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2qbe s VAL 78 Cb -0.02 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2qbe s VAL 78 CO 0.34 -0.27 -0.01 0.42 0.00 0.00 0.00 175.10 175.57 2qbe s THR 79 N 9.47 0.05 -0.18 3.92 -4.23 -1.26 -2.43 115.64 120.98 2qbe s THR 79 Ca 0.89 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2qbe s THR 79 Cb -0.21 -0.11 0.04 0.00 1.34 0.00 0.00 72.50 73.55 2qbe s THR 79 CO 0.29 -0.20 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.44 2qbe s ILE 80 N -0.57 1.53 -0.77 2.99 1.01 -0.45 -4.72 121.20 120.22 2qbe s ILE 80 Ca -0.06 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.49 2qbe s ILE 80 Cb -0.04 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.87 2qbe s ILE 80 CO -0.00 0.24 1.49 0.00 0.00 0.00 0.00 174.94 176.67 2qbe s ALA 81 N 1.46 2.53 -2.00 9.38 0.00 -1.24 -2.75 121.76 129.15 2qbe s ALA 81 Ca 0.01 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 50.70 2qbe s ALA 81 Cb -0.15 -4.33 0.52 0.00 0.00 0.00 0.00 23.12 19.16 2qbe s ALA 81 CO -0.09 -3.59 1.24 0.45 0.00 0.00 0.00 175.76 173.77 2qbe n SER 82 N 10.41 0.00 -1.51 0.00 2.88 -1.26 -4.64 113.62 119.50 2qbe n SER 82 Ca 0.14 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 2qbe n SER 82 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2qbe n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbe n LYS 83 N -0.65 -3.93 -2.70 -1.46 5.02 -0.52 0.37 118.16 114.28 2qbe n LYS 83 Ca 0.07 2.88 -0.26 0.00 -2.02 0.00 0.00 58.31 58.98 2qbe n LYS 83 Cb 0.03 -3.04 0.01 0.00 -0.02 0.00 0.00 35.03 32.01 2qbe n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbe s ALA 84 N -0.91 3.46 -0.25 7.82 0.00 0.65 0.22 121.76 132.75 2qbe s ALA 84 Ca 0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 51.96 50.96 2qbe s ALA 84 Cb 0.00 -2.48 0.16 0.00 0.00 0.00 0.00 23.12 20.80 2qbe s ALA 84 CO 0.00 -0.42 1.29 0.20 0.00 0.00 0.00 175.76 176.83 2qbe s GLY 85 N -4.16 -0.12 -0.45 0.00 0.00 -1.25 -4.73 107.32 96.61 2qbe s GLY 85 Ca 0.48 2.19 -0.29 0.00 0.00 0.00 0.00 44.72 47.10 2qbe s GLY 85 CO 0.43 0.82 0.64 1.22 0.00 0.00 0.00 173.10 176.21 2qbe n ASP 86 N 0.23 -6.50 -1.60 1.64 8.00 -1.26 -2.47 116.55 114.59 2qbe n ASP 86 Ca 0.01 0.11 -0.18 0.00 0.71 0.00 0.00 54.79 55.44 2qbe n ASP 86 Cb 0.58 -3.19 -0.05 0.00 -0.02 0.00 0.00 41.12 38.44 2qbe n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qbe n GLU 87 N -0.28 -1.31 -0.82 -1.24 4.71 -1.26 -4.49 120.64 115.95 2qbe n GLU 87 Ca -0.01 1.04 0.00 0.00 -0.01 0.00 0.00 57.16 58.18 2qbe n GLU 87 Cb 0.59 -5.38 0.00 0.00 -1.01 0.00 0.00 31.44 25.65 2qbe n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qbe n GLY 88 N -0.86 -1.65 0.00 0.62 0.00 -1.12 -5.14 105.19 97.03 2qbe n GLY 88 Ca -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2qbe n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbe n LYS 89 N 0.65 0.00 -4.36 1.61 4.76 -1.03 -4.75 118.16 115.03 2qbe n LYS 89 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 2qbe n LYS 89 Cb 0.00 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.03 2qbe n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbe s LEU 90 N 0.00 1.74 0.02 -0.35 1.02 -1.22 -3.50 118.68 116.39 2qbe s LEU 90 Ca 0.00 -0.18 0.16 0.00 0.02 0.00 0.00 54.13 54.13 2qbe s LEU 90 Cb 0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 46.19 45.50 2qbe s LEU 90 CO 0.00 0.05 0.73 0.49 0.02 0.00 0.00 176.35 177.64 2qbe n PHE 91 N 3.38 0.93 -2.41 0.29 3.01 0.60 -4.84 117.46 118.42 2qbe n PHE 91 Ca -0.19 0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2qbe n PHE 91 Cb 0.54 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 2qbe n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbe n GLY 92 N 1.46 2.72 2.55 1.37 0.00 0.12 -5.01 105.19 108.40 2qbe n GLY 92 Ca -0.13 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 2qbe n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbe s SER 93 N -0.76 3.57 -1.09 1.61 0.01 -1.26 -5.03 113.70 110.75 2qbe s SER 93 Ca 0.00 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.78 2qbe s SER 93 Cb 0.00 -0.39 0.13 0.00 0.21 0.00 0.00 66.02 65.98 2qbe s SER 93 CO 0.00 -0.44 1.34 -0.63 0.41 0.00 0.00 173.24 173.93 2qbe s ILE 94 N 2.07 4.71 0.00 1.44 -1.09 -1.26 -4.82 121.20 122.25 2qbe s ILE 94 Ca 0.09 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 56.55 2qbe s ILE 94 Cb -0.16 -4.90 0.00 0.00 -1.58 0.00 0.00 42.46 35.82 2qbe s ILE 94 CO -0.36 -1.65 0.00 0.61 -1.23 0.00 0.00 174.94 172.31 2qbe n GLY 95 N 5.06 -0.21 0.94 6.18 0.00 -1.26 -4.83 105.19 111.07 2qbe n GLY 95 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.34 2qbe n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qbe n THR 96 N -0.48 0.46 -0.32 2.61 -2.24 -1.26 -4.56 114.28 108.49 2qbe n THR 96 Ca 0.00 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 2qbe n THR 96 Cb 0.00 -1.26 0.23 0.00 -2.10 0.00 0.00 70.33 67.20 2qbe n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qbe n ARG 97 N -2.89 -0.08 -0.04 -0.78 0.63 -1.26 -0.04 116.66 112.20 2qbe n ARG 97 Ca -0.00 1.38 -0.10 0.00 -0.92 0.00 0.00 57.85 58.21 2qbe n ARG 97 Cb 0.02 -2.16 -0.04 0.00 0.45 0.00 0.00 32.46 30.73 2qbe n ARG 97 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2qbe h ASP 98 N 0.00 0.23 -0.91 6.15 -0.00 -1.90 0.18 116.42 120.15 2qbe h ASP 98 Ca 0.52 -0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.55 2qbe h ASP 98 Cb 1.02 -0.06 -0.05 0.00 -0.00 0.00 0.00 39.33 40.25 2qbe h ASP 98 CO -0.88 0.17 0.60 0.40 -0.00 0.00 0.00 179.24 179.52 2qbe h ILE 99 N 0.26 1.24 0.05 4.15 1.08 -0.70 -1.73 117.51 121.86 2qbe h ILE 99 Ca 0.07 -0.45 -0.23 0.00 -0.39 0.00 0.00 64.86 63.86 2qbe h ILE 99 Cb -0.03 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.61 2qbe h ILE 99 CO -0.02 0.23 -1.07 0.00 -0.69 0.00 0.00 178.15 176.60 2qbe h ALA 100 N 1.33 0.28 -0.03 1.87 0.00 -1.21 -3.21 119.26 118.29 2qbe h ALA 100 Ca 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2qbe h ALA 100 Cb -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qbe h ALA 100 CO -0.07 1.12 0.00 -3.47 0.00 0.00 0.00 179.25 176.83 2qbe n ASP 101 N -3.45 0.47 -0.93 0.00 2.03 0.60 -4.13 116.55 111.14 2qbe n ASP 101 Ca -0.03 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2qbe n ASP 101 Cb 0.96 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 2qbe n ASP 101 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qbe n ALA 102 N -0.56 1.93 -0.48 -1.67 0.00 -0.67 -1.92 120.51 117.14 2qbe n ALA 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2qbe n ALA 102 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2qbe n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qbe n VAL 103 N 0.70 0.28 0.90 0.00 0.24 -1.26 -4.78 118.33 114.42 2qbe n VAL 103 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2qbe n VAL 103 Cb 0.22 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 2qbe n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2qbe n THR 104 N -0.14 0.41 0.00 3.34 5.66 -0.81 -3.54 114.28 119.20 2qbe n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qbe n THR 104 Cb 0.25 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 2qbe n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbe n ALA 105 N 0.28 0.00 -0.38 1.79 0.00 -1.26 -4.02 120.51 116.91 2qbe n ALA 105 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2qbe n ALA 105 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 2qbe n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe n ALA 106 N -1.04 3.39 0.00 0.00 0.00 -1.26 -4.64 120.51 116.96 2qbe n ALA 106 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2qbe n ALA 106 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2qbe n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbe n GLY 107 N 1.72 0.68 3.47 0.00 0.00 -1.26 -4.92 105.19 104.88 2qbe n GLY 107 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2qbe n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbe n VAL 108 N -1.84 0.00 -3.52 1.61 0.31 -1.23 -4.91 118.33 108.75 2qbe n VAL 108 Ca 0.00 -0.21 -0.06 0.00 -0.01 0.00 0.00 64.34 64.06 2qbe n VAL 108 Cb 0.00 -0.80 -0.07 0.00 -0.91 0.00 0.00 33.84 32.06 2qbe n VAL 108 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qbe s GLU 109 N -4.03 0.40 0.58 5.55 8.01 -1.26 -3.76 118.70 124.18 2qbe s GLU 109 Ca 0.62 0.96 0.08 0.00 0.01 0.00 0.00 54.97 56.65 2qbe s GLU 109 Cb -0.21 0.23 0.08 0.00 -4.31 0.00 0.00 34.13 29.92 2qbe s GLU 109 CO 0.64 -0.39 0.67 0.14 0.01 0.00 0.00 175.26 176.33 2qbe s VAL 110 N 2.67 1.87 0.00 2.63 -7.23 -1.26 -5.12 120.40 113.95 2qbe s VAL 110 Ca 0.04 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2qbe s VAL 110 Cb -0.13 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2qbe s VAL 110 CO -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.64 2qbe n ALA 111 N -2.11 0.00 0.00 1.32 0.00 -1.26 -4.92 120.51 113.54 2qbe n ALA 111 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2qbe n ALA 111 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2qbe n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbe n LYS 112 N -1.27 0.00 0.00 0.00 2.85 -1.26 -4.67 118.16 113.81 2qbe n LYS 112 Ca 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.27 2qbe n LYS 112 Cb 0.00 -0.27 0.07 0.00 -0.65 0.00 0.00 35.03 34.18 2qbe n LYS 112 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2qbe n SER 113 N -1.78 0.00 -1.60 -5.58 7.64 -1.26 -2.68 113.62 108.36 2qbe n SER 113 Ca 0.00 -0.23 -0.11 0.00 1.01 0.00 0.00 58.87 59.54 2qbe n SER 113 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2qbe n SER 113 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qbe n GLU 114 N -0.75 1.77 -1.79 1.43 -0.58 -1.26 -4.95 120.64 114.51 2qbe n GLU 114 Ca 0.02 -1.56 -0.33 0.00 -0.42 0.00 0.00 57.16 54.86 2qbe n GLU 114 Cb 0.01 -1.64 0.04 0.00 -0.57 0.00 0.00 31.44 29.29 2qbe n GLU 114 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2qbe s VAL 115 N -1.72 3.25 -0.48 2.62 -7.23 -1.09 0.10 120.40 115.85 2qbe s VAL 115 Ca 0.29 0.59 0.08 0.00 -1.81 0.00 0.00 61.98 61.14 2qbe s VAL 115 Cb 0.24 -3.12 0.29 0.00 0.56 0.00 0.00 36.38 34.36 2qbe s VAL 115 CO 0.06 -0.35 0.71 -1.14 -0.31 0.00 0.00 175.10 174.07 2qbe n ARG 116 N -2.34 1.67 -3.91 4.82 3.00 -1.26 -4.51 116.66 114.13 2qbe n ARG 116 Ca 0.10 -3.90 -0.29 0.00 -0.00 0.00 0.00 57.85 53.76 2qbe n ARG 116 Cb 0.52 -1.77 -0.13 0.00 0.00 0.00 0.00 32.46 31.08 2qbe n ARG 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbe s LEU 117 N -2.24 4.46 0.61 6.15 1.43 -1.26 -4.09 118.68 123.73 2qbe s LEU 117 Ca 0.40 -3.40 0.27 0.00 -1.03 0.00 0.00 54.13 50.37 2qbe s LEU 117 Cb 0.24 -1.60 1.28 0.00 0.03 0.00 0.00 46.19 46.13 2qbe s LEU 117 CO -0.09 -0.16 1.70 -0.65 0.23 0.00 0.00 176.35 177.38 2qbe h PRO 118 N 5.98 0.00 -4.40 1.29 0.11 -2.00 -3.42 132.00 129.56 2qbe h PRO 118 Ca 0.03 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.87 2qbe h PRO 118 Cb 0.83 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.82 2qbe h PRO 118 CO 0.69 0.00 -0.40 0.54 -0.21 0.00 0.00 178.00 178.62 2qbe s ASN 119 N -4.51 0.65 -0.27 -2.05 4.22 -1.26 -5.10 114.94 106.61 2qbe s ASN 119 Ca -0.03 -1.42 -0.28 0.00 -2.14 0.00 0.00 52.86 48.98 2qbe s ASN 119 Cb 0.13 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 43.15 2qbe s ASN 119 CO 0.45 -1.05 1.99 -0.83 -2.04 0.00 0.00 177.10 175.61 2qbe s GLY 120 N -3.20 0.68 0.18 0.45 0.00 -1.26 -4.89 107.32 99.28 2qbe s GLY 120 Ca 0.35 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 2qbe s GLY 120 CO 0.17 3.51 0.69 -0.62 0.00 0.00 0.00 173.10 176.85 2qbe n VAL 121 N 7.55 1.67 -2.61 1.40 0.31 -1.26 -4.97 118.33 120.43 2qbe n VAL 121 Ca 0.26 -0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2qbe n VAL 121 Cb 0.46 -0.17 0.06 0.00 -0.91 0.00 0.00 33.84 33.28 2qbe n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbe n LEU 122 N 1.84 0.00 -4.35 7.52 4.32 -1.26 -4.98 117.00 120.09 2qbe n LEU 122 Ca 0.17 -1.22 -0.35 0.00 -0.02 0.00 0.00 56.01 54.58 2qbe n LEU 122 Cb 0.24 -0.32 -0.14 0.00 -1.62 0.00 0.00 43.42 41.58 2qbe n LEU 122 CO 0.57 -0.73 -0.36 -0.13 -1.22 0.00 0.00 177.39 175.53 2qbe s ARG 123 N -3.76 3.46 0.00 3.23 0.52 -1.26 -4.90 118.95 116.23 2qbe s ARG 123 Ca 0.36 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2qbe s ARG 123 Cb -0.02 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2qbe s ARG 123 CO 0.23 -0.16 0.00 2.41 0.02 0.00 0.00 175.30 177.80 2qbe n THR 124 N 4.73 0.00 0.00 0.02 -1.04 -1.26 -4.98 114.28 111.75 2qbe n THR 124 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2qbe n THR 124 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2qbe n THR 124 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2qbe n THR 125 N 0.00 0.00 -0.11 12.58 -1.04 -1.26 -4.67 114.28 119.78 2qbe n THR 125 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2qbe n THR 125 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 2qbe n THR 125 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbe n GLY 126 N 0.00 -3.65 3.77 3.41 0.00 -1.26 0.38 105.19 107.83 2qbe n GLY 126 Ca 0.00 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2qbe n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbe s GLU 127 N -3.75 3.85 -0.20 1.61 2.12 -1.22 -3.90 118.70 117.21 2qbe s GLU 127 Ca 0.28 1.89 -0.10 0.00 0.36 0.00 0.00 54.97 57.40 2qbe s GLU 127 Cb -0.05 -2.55 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 2qbe s GLU 127 CO 0.23 -0.51 0.12 -1.01 -0.54 0.00 0.00 175.26 173.56 2qbe s HIS 128 N -1.44 3.37 -0.70 5.30 3.76 0.23 -4.85 115.29 120.97 2qbe s HIS 128 Ca 0.61 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.79 2qbe s HIS 128 Cb -0.32 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.22 2qbe s HIS 128 CO 0.39 0.24 0.46 -1.91 -0.85 0.00 0.00 174.74 173.07 2qbe n GLU 129 N 3.61 0.71 -1.66 1.40 2.13 -1.26 -3.82 120.64 121.75 2qbe n GLU 129 Ca -0.16 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.23 2qbe n GLU 129 Cb 0.52 -1.29 -0.03 0.00 0.27 0.00 0.00 31.44 30.91 2qbe n GLU 129 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2qbe s VAL 130 N -0.61 3.06 -0.92 6.31 -7.23 -1.24 -4.89 120.40 114.88 2qbe s VAL 130 Ca 0.00 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 2qbe s VAL 130 Cb 0.00 -3.07 0.24 0.00 0.56 0.00 0.00 36.38 34.10 2qbe s VAL 130 CO 0.00 -0.04 0.88 -0.44 -0.31 0.00 0.00 175.10 175.19 2qbe s SER 131 N 7.20 6.95 -0.50 4.85 0.01 -1.26 -0.75 113.70 130.19 2qbe s SER 131 Ca 0.96 -2.98 -0.17 0.00 1.31 0.00 0.00 55.95 55.07 2qbe s SER 131 Cb -0.34 -2.21 -0.17 0.00 0.21 0.00 0.00 66.02 63.51 2qbe s SER 131 CO 0.36 -0.49 1.55 0.33 0.41 0.00 0.00 173.24 175.41 2qbe n PHE 132 N 3.59 0.41 -2.38 2.43 7.35 -1.25 -3.98 117.46 123.63 2qbe n PHE 132 Ca 0.17 -0.15 -0.38 0.00 -0.76 0.00 0.00 57.45 56.33 2qbe n PHE 132 Cb 0.45 -1.50 -0.03 0.00 0.35 0.00 0.00 39.48 38.74 2qbe n PHE 132 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2qbe s GLN 133 N 6.75 3.12 0.00 -4.13 -0.44 0.28 -4.31 119.66 120.93 2qbe s GLN 133 Ca 0.48 -0.40 0.00 0.00 -2.50 0.00 0.00 55.36 52.94 2qbe s GLN 133 Cb -0.00 -4.76 0.00 0.00 -1.64 0.00 0.00 33.01 26.60 2qbe s GLN 133 CO 0.14 -2.48 0.00 1.55 0.50 0.00 0.00 175.29 175.00 2qbe n VAL 134 N 6.95 0.00 -1.47 1.34 3.14 -1.25 -4.17 118.33 122.87 2qbe n VAL 134 Ca 0.22 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.24 2qbe n VAL 134 Cb 0.50 -0.29 0.08 0.00 -1.06 0.00 0.00 33.84 33.07 2qbe n VAL 134 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2qbe n HIS 135 N 0.00 0.94 0.00 1.45 -0.00 -1.26 -4.62 115.22 111.73 2qbe n HIS 135 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 2qbe n HIS 135 Cb 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 2qbe n HIS 135 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2qbe n SER 136 N -1.59 0.00 0.00 0.26 2.88 -1.26 -3.62 113.62 110.29 2qbe n SER 136 Ca 0.14 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2qbe n SER 136 Cb 0.49 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2qbe n SER 136 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2qbe n GLU 137 N -0.94 0.00 -1.79 -1.46 4.71 -1.26 -5.01 120.64 114.88 2qbe n GLU 137 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 2qbe n GLU 137 Cb 0.01 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 2qbe n GLU 137 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qbe s VAL 138 N 0.00 2.08 0.00 2.62 1.01 -1.24 -5.03 120.40 119.84 2qbe s VAL 138 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2qbe s VAL 138 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2qbe s VAL 138 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 175.10 175.59 2qbe n PHE 139 N -0.64 0.00 -1.08 5.22 0.99 -1.26 -3.91 117.46 116.78 2qbe n PHE 139 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 2qbe n PHE 139 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.92 2qbe n PHE 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qbe n ALA 140 N -3.00 0.00 -3.21 4.37 0.00 -1.26 -4.43 120.51 112.98 2qbe n ALA 140 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbe n ALA 140 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qbe n ALA 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2qbe s LYS 141 N -1.48 0.72 0.13 0.00 0.00 -1.26 -4.40 119.74 113.45 2qbe s LYS 141 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 55.97 55.94 2qbe s LYS 141 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 37.83 37.85 2qbe s LYS 141 CO 0.00 -1.14 0.16 0.08 0.00 0.00 0.00 175.35 174.45 2qbe s VAL 142 N 2.12 4.77 0.13 1.79 1.01 0.07 -4.90 120.40 125.39 2qbe s VAL 142 Ca 0.14 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2qbe s VAL 142 Cb -0.07 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2qbe s VAL 142 CO -0.13 -0.03 -0.10 0.27 0.00 0.00 0.00 175.10 175.12 2qbe s ILE 143 N -1.64 3.33 -0.02 2.22 -4.36 -1.26 -3.65 121.20 115.81 2qbe s ILE 143 Ca 0.32 -1.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.31 2qbe s ILE 143 Cb -0.11 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.03 2qbe s ILE 143 CO 0.25 0.04 0.05 -0.69 0.24 0.00 0.00 174.94 174.83 2qbe s VAL 144 N -1.36 -0.02 -0.15 8.37 1.01 -1.02 -4.15 120.40 123.09 2qbe s VAL 144 Ca 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2qbe s VAL 144 Cb -0.10 -0.08 0.05 0.00 0.00 0.00 0.00 36.38 36.25 2qbe s VAL 144 CO 0.14 0.03 0.08 0.20 0.00 0.00 0.00 175.10 175.55 2qbe s ASN 145 N 0.41 2.20 0.30 3.32 -0.87 -1.25 0.78 114.94 119.83 2qbe s ASN 145 Ca -0.03 -0.51 -0.28 0.00 -1.57 0.00 0.00 52.86 50.46 2qbe s ASN 145 Cb -0.05 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.25 40.81 2qbe s ASN 145 CO -0.01 -0.32 1.03 -0.69 -2.57 0.00 0.00 177.10 174.54 2qbe s VAL 146 N 2.10 3.75 0.00 1.60 1.01 0.16 -1.34 120.40 127.68 2qbe s VAL 146 Ca 0.02 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2qbe s VAL 146 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2qbe s VAL 146 CO -0.08 0.30 0.00 0.52 0.00 0.00 0.00 175.10 175.84 2qbe n VAL 147 N 0.94 0.00 0.00 2.92 0.31 -1.24 -4.49 118.33 116.77 2qbe n VAL 147 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbe n VAL 147 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2qbe n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbe n ALA 148 N -3.00 0.00 0.58 3.52 0.00 -1.26 -0.25 120.51 120.10 2qbe n ALA 148 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qbe n ALA 148 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2qbe n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89