#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk h GLN 2 N 0.00 0.00 -3.67 2.12 4.20 -1.80 0.64 115.11 116.60 2qbk h GLN 2 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qbk h GLN 2 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2qbk h GLN 2 CO 0.00 0.00 -0.81 1.33 -0.67 0.00 0.00 178.83 178.68 2qbk n VAL 3 N -2.67 -4.44 -2.79 -0.54 0.24 -1.26 -3.93 118.33 102.93 2qbk n VAL 3 Ca -0.01 2.05 -0.37 0.00 -2.04 0.00 0.00 64.34 63.97 2qbk n VAL 3 Cb 0.03 -2.86 -0.06 0.00 -1.47 0.00 0.00 33.84 29.48 2qbk n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qbk s ILE 4 N -3.65 4.22 0.00 1.34 1.09 0.12 -2.75 121.20 121.57 2qbk s ILE 4 Ca 0.00 1.82 0.00 0.00 -1.10 0.00 0.00 60.65 61.37 2qbk s ILE 4 Cb 0.00 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 2qbk s ILE 4 CO 0.00 0.17 0.00 0.18 -0.10 0.00 0.00 174.94 175.19 2qbk n LEU 5 N 0.63 0.00 0.00 2.97 4.77 -0.43 0.90 117.00 125.84 2qbk n LEU 5 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qbk n LEU 5 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2qbk n LEU 5 CO 0.45 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.40 2qbk n LEU 6 N 0.00 0.00 0.00 2.23 7.94 -1.21 -3.84 117.00 122.13 2qbk n LEU 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2qbk n LEU 6 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2qbk n LEU 6 CO 0.00 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.61 2qbk n ASP 7 N 0.00 1.54 0.00 1.96 2.03 -1.26 -4.56 116.55 116.26 2qbk n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qbk n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qbk n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2qbk n LYS 8 N 0.00 0.00 -1.79 -0.67 4.81 -1.26 -0.16 118.16 119.09 2qbk n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2qbk n LYS 8 Cb 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 35.03 34.76 2qbk n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qbk n VAL 9 N 0.00-10.96 0.00 3.15 0.31 -1.26 -3.28 118.33 106.30 2qbk n VAL 9 Ca 0.00 2.61 0.00 0.00 -0.01 0.00 0.00 64.34 66.94 2qbk n VAL 9 Cb 0.00 -4.92 0.00 0.00 -0.91 0.00 0.00 33.84 28.01 2qbk n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbk n ALA 10 N 1.46 0.00 0.00 3.52 0.00 -1.26 -1.42 120.51 122.81 2qbk n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbk n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbk n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbk n ASN 11 N 0.00 0.00 -0.57 0.00 4.13 -1.26 -1.57 115.26 115.99 2qbk n ASN 11 Ca 0.00 -0.40 -0.02 0.00 1.68 0.00 0.00 54.58 55.84 2qbk n ASN 11 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2qbk n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbk n LEU 12 N 1.40 -0.25 -4.90 3.41 -0.00 -1.26 -5.16 117.00 110.24 2qbk n LEU 12 Ca 0.00 -0.54 -0.20 0.00 -0.00 0.00 0.00 56.01 55.27 2qbk n LEU 12 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2qbk n LEU 12 CO 0.00 0.77 0.01 -0.83 -0.00 0.00 0.00 177.39 177.34 2qbk s GLY 13 N -0.25 2.00 0.00 1.47 0.00 -0.51 -4.94 107.32 105.10 2qbk s GLY 13 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2qbk s GLY 13 CO 0.00 -1.62 0.01 -1.26 0.00 0.00 0.00 173.10 170.24 2qbk n SER 14 N -1.57 0.00 -3.74 1.64 2.88 -1.20 -4.98 113.62 106.63 2qbk n SER 14 Ca 0.03 -0.04 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 2qbk n SER 14 Cb 0.61 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2qbk n SER 14 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qbk n LEU 15 N 0.00 -2.75 0.00 2.46 -0.00 0.78 -4.54 117.00 112.95 2qbk n LEU 15 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 56.01 55.02 2qbk n LEU 15 Cb 0.02 -2.39 0.00 0.00 -0.00 0.00 0.00 43.42 41.05 2qbk n LEU 15 CO 0.00 0.45 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2qbk n GLY 16 N -1.74 0.60 3.51 -3.96 0.00 -1.26 -4.72 105.19 97.62 2qbk n GLY 16 Ca -0.17 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 2qbk n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbk s ASP 17 N 0.00 -0.87 -0.88 1.61 1.11 -1.26 -4.79 116.67 111.59 2qbk s ASP 17 Ca 0.00 1.37 -0.25 0.00 0.18 0.00 0.00 52.55 53.85 2qbk s ASP 17 Cb 0.00 2.00 -0.00 0.00 1.07 0.00 0.00 42.92 45.99 2qbk s ASP 17 CO 0.00 -0.23 1.68 -1.58 1.18 0.00 0.00 175.17 176.23 2qbk s GLN 18 N 2.81 2.99 -0.10 8.23 0.74 -1.26 -1.31 119.66 131.76 2qbk s GLN 18 Ca -0.04 -0.44 0.04 0.00 0.05 0.00 0.00 55.36 54.97 2qbk s GLN 18 Cb -0.12 -4.96 -0.01 0.00 1.10 0.00 0.00 33.01 29.02 2qbk s GLN 18 CO -0.17 -2.74 -0.22 0.14 -0.55 0.00 0.00 175.29 171.75 2qbk s VAL 19 N 7.68 2.27 0.33 1.34 -7.23 -1.11 -4.88 120.40 118.80 2qbk s VAL 19 Ca 0.57 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 2qbk s VAL 19 Cb -0.05 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 34.90 2qbk s VAL 19 CO 0.01 0.56 1.40 0.21 -0.31 0.00 0.00 175.10 176.97 2qbk s ASN 20 N 0.21 6.59 -0.04 4.85 3.84 -1.26 -4.29 114.94 124.85 2qbk s ASN 20 Ca -0.14 2.82 -0.29 0.00 0.21 0.00 0.00 52.86 55.46 2qbk s ASN 20 Cb -0.17 -2.65 0.09 0.00 -0.55 0.00 0.00 41.25 37.97 2qbk s ASN 20 CO 0.07 -0.69 0.76 0.54 -2.79 0.00 0.00 177.10 174.99 2qbk s VAL 21 N -0.93 0.00 0.46 -5.21 0.11 0.22 -4.89 120.40 110.16 2qbk s VAL 21 Ca 0.52 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.35 2qbk s VAL 21 Cb -0.43 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.32 2qbk s VAL 21 CO 0.55 0.00 0.81 0.29 -3.33 0.00 0.00 175.10 173.42 2qbk n LYS 22 N 0.57 0.96 0.16 1.54 5.02 -1.26 -4.35 118.16 120.80 2qbk n LYS 22 Ca -0.16 0.35 0.13 0.00 -2.02 0.00 0.00 58.31 56.61 2qbk n LYS 22 Cb 0.59 -1.86 0.53 0.00 -0.02 0.00 0.00 35.03 34.27 2qbk n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbk h ALA 23 N 1.03 1.00 -0.01 7.82 0.00 -1.89 -2.80 119.26 124.41 2qbk h ALA 23 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2qbk h ALA 23 Cb 1.37 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.16 2qbk h ALA 23 CO 0.53 0.00 -0.28 0.78 0.00 0.00 0.00 179.25 180.28 2qbk h GLY 24 N 2.09 0.23 2.00 0.00 0.00 -1.96 -2.71 103.07 102.72 2qbk h GLY 24 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2qbk h GLY 24 CO 0.00 0.34 0.00 2.98 0.00 0.00 0.00 176.54 179.86 2qbk n TYR 25 N -4.48 0.23 -4.01 5.60 9.36 -1.07 -3.94 117.16 118.85 2qbk n TYR 25 Ca -0.10 0.11 -0.24 0.00 3.32 0.00 0.00 57.90 61.00 2qbk n TYR 25 Cb 0.51 -0.68 -0.06 0.00 -0.63 0.00 0.00 39.34 38.47 2qbk n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qbk s ALA 26 N -3.16 3.66 -0.68 2.98 0.00 -1.02 -0.89 121.76 122.66 2qbk s ALA 26 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2qbk s ALA 26 Cb 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2qbk s ALA 26 CO 0.10 -0.14 0.00 0.54 0.00 0.00 0.00 175.76 176.27 2qbk n ARG 27 N -1.28 -1.93 0.00 0.00 5.12 -1.26 -4.36 116.66 112.96 2qbk n ARG 27 Ca -0.01 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 2qbk n ARG 27 Cb 0.63 -4.75 0.00 0.00 -1.16 0.00 0.00 32.46 27.19 2qbk n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qbk n ASN 28 N -0.84 0.00 0.06 0.55 5.03 -1.25 -4.92 115.26 113.88 2qbk n ASN 28 Ca -0.08 -0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2qbk n ASN 28 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 2qbk n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qbk n PHE 29 N 0.00 -2.75 0.22 3.10 7.35 -1.25 -4.94 117.46 119.19 2qbk n PHE 29 Ca 0.00 0.39 0.18 0.00 -0.76 0.00 0.00 57.45 57.26 2qbk n PHE 29 Cb 0.03 1.30 0.84 0.00 0.35 0.00 0.00 39.48 42.00 2qbk n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2qbk h LEU 30 N 0.00 0.00 0.00 -2.13 3.38 -1.33 -3.38 115.31 111.85 2qbk h LEU 30 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qbk h LEU 30 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qbk h LEU 30 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.05 2qbk n VAL 31 N -3.52 0.00 -1.36 1.22 0.31 -1.26 0.23 118.33 113.95 2qbk n VAL 31 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2qbk n VAL 31 Cb 0.39 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 2qbk n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qbk n PRO 32 N 0.00 -0.35 0.00 5.55 -0.02 -1.26 -2.81 135.00 136.11 2qbk n PRO 32 Ca 0.00 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2qbk n PRO 32 Cb 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 2qbk n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qbk n GLN 33 N -0.33 0.00 0.00 -0.52 -0.06 -1.26 -4.56 117.38 110.65 2qbk n GLN 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2qbk n GLN 33 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2qbk n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qbk n GLY 34 N 0.00 0.76 0.00 1.69 0.00 -1.12 -5.07 105.19 101.44 2qbk n GLY 34 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2qbk n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 35 N 0.00 0.00 -3.84 1.61 4.76 -0.54 -4.81 118.16 115.34 2qbk n LYS 35 Ca 0.00 -0.14 0.01 0.00 -2.87 0.00 0.00 58.31 55.32 2qbk n LYS 35 Cb 0.00 -0.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.84 2qbk n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbk s ALA 36 N 0.00 -2.27 -0.22 7.82 0.00 0.13 -3.28 121.76 123.94 2qbk s ALA 36 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 2qbk s ALA 36 Cb 0.00 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.86 2qbk s ALA 36 CO 0.00 -1.10 0.56 0.54 0.00 0.00 0.00 175.76 175.76 2qbk s VAL 37 N -2.21 -0.01 0.17 0.00 0.11 0.26 -4.71 120.40 114.01 2qbk s VAL 37 Ca 0.23 0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.99 2qbk s VAL 37 Cb 0.01 -0.80 -0.16 0.00 -1.53 0.00 0.00 36.38 33.90 2qbk s VAL 37 CO -0.01 0.01 0.94 -2.65 -3.33 0.00 0.00 175.10 170.06 2qbk n PRO 38 N 3.68 0.68 -1.98 1.54 -0.02 -1.26 0.15 135.00 137.79 2qbk n PRO 38 Ca -0.18 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 2qbk n PRO 38 Cb 0.57 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 2qbk n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbk n ALA 39 N 0.86 6.53 -1.59 3.55 0.00 -1.26 -4.52 120.51 124.08 2qbk n ALA 39 Ca 0.16 -4.06 -0.35 0.00 0.00 0.00 0.00 53.44 49.19 2qbk n ALA 39 Cb 0.23 -2.92 0.04 0.00 0.00 0.00 0.00 19.45 16.80 2qbk n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qbk n THR 40 N 2.44 3.51 0.00 0.00 -2.24 -1.26 -4.80 114.28 111.93 2qbk n THR 40 Ca 0.59 -3.47 0.00 0.00 -2.27 0.00 0.00 64.05 58.90 2qbk n THR 40 Cb 0.28 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 2qbk n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbk n LYS 41 N -0.40 0.00 -0.30 -0.78 4.76 -1.26 -3.79 118.16 116.38 2qbk n LYS 41 Ca 0.54 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 56.11 2qbk n LYS 41 Cb 0.44 0.00 0.28 0.00 -1.84 0.00 0.00 35.03 33.91 2qbk n LYS 41 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2qbk h LYS 42 N 0.00 0.13 -0.02 1.97 3.64 -1.94 0.29 116.57 120.64 2qbk h LYS 42 Ca 0.00 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 2qbk h LYS 42 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2qbk h LYS 42 CO 0.00 0.09 -0.90 -0.91 -2.27 0.00 0.00 179.45 175.45 2qbk h ASN 43 N 0.13 0.58 0.37 4.20 2.35 -1.83 -2.92 115.58 118.46 2qbk h ASN 43 Ca 0.56 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2qbk h ASN 43 Cb 1.14 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2qbk h ASN 43 CO -0.73 1.23 0.00 2.30 -1.65 0.00 0.00 177.43 178.58 2qbk n ILE 44 N -3.78 0.60 -0.05 2.81 -5.35 0.77 -3.12 119.36 111.24 2qbk n ILE 44 Ca -0.07 0.15 -0.02 0.00 -0.27 0.00 0.00 62.75 62.54 2qbk n ILE 44 Cb 0.81 -0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 37.82 2qbk n ILE 44 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2qbk h GLU 45 N 0.00 0.00 0.00 6.28 5.08 -0.62 0.68 114.58 126.00 2qbk h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qbk h GLU 45 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2qbk h GLU 45 CO 0.00 0.12 0.44 0.74 -1.00 0.00 0.00 179.01 179.32 2qbk h PHE 46 N -1.00 0.00 0.00 4.33 0.05 -1.58 0.95 116.94 119.69 2qbk h PHE 46 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2qbk h PHE 46 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.12 2qbk h PHE 46 CO 0.01 0.00 -0.83 1.19 -0.18 0.00 0.00 178.31 178.51 2qbk n PHE 47 N -2.51 0.02 -0.34 -0.55 0.99 -1.23 -3.78 117.46 110.06 2qbk n PHE 47 Ca -0.01 0.01 0.19 0.00 -0.00 0.00 0.00 57.45 57.64 2qbk n PHE 47 Cb 0.47 -0.43 0.42 0.00 -1.00 0.00 0.00 39.48 38.94 2qbk n PHE 47 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2qbk h GLU 48 N -0.84 0.51 -0.39 -1.08 4.22 -0.46 1.97 114.58 118.51 2qbk h GLU 48 Ca 0.00 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.32 2qbk h GLU 48 Cb 0.83 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2qbk h GLU 48 CO 0.00 0.34 -0.12 0.00 -2.18 0.00 0.00 179.01 177.05 2qbk h ALA 49 N 1.72 0.54 0.00 2.92 0.00 -1.03 -2.58 119.26 120.83 2qbk h ALA 49 Ca 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qbk h ALA 49 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qbk h ALA 49 CO -0.45 0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 2qbk h ARG 50 N 0.58 0.00 0.26 0.00 -0.00 -0.43 -2.96 114.38 111.82 2qbk h ARG 50 Ca 0.10 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.56 2qbk h ARG 50 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.62 2qbk h ARG 50 CO 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 179.97 179.89 2qbk h ARG 51 N 0.00 -0.34 0.00 0.04 3.08 0.32 -2.41 114.38 115.08 2qbk h ARG 51 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2qbk h ARG 51 Cb 0.79 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2qbk h ARG 51 CO 0.00 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 2qbk n ALA 52 N -2.58 2.52 -0.06 0.04 0.00 -1.00 -2.54 120.51 116.89 2qbk n ALA 52 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qbk n ALA 52 Cb 0.26 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2qbk n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbk n GLU 53 N -0.65 0.00 0.30 0.00 0.00 -1.12 -3.97 120.64 115.20 2qbk n GLU 53 Ca 0.07 0.24 0.17 0.00 0.00 0.00 0.00 57.16 57.63 2qbk n GLU 53 Cb 0.03 -0.72 0.96 0.00 0.00 0.00 0.00 31.44 31.71 2qbk n GLU 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2qbk h LEU 54 N 0.00 0.00 -2.48 4.31 3.38 -1.53 1.85 115.31 120.84 2qbk h LEU 54 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2qbk h LEU 54 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2qbk h LEU 54 CO 0.00 0.00 0.14 -0.62 0.09 0.00 0.00 178.44 178.05 2qbk n GLU 55 N -3.71 2.14 0.00 1.13 -0.58 -1.05 -2.82 120.64 115.75 2qbk n GLU 55 Ca -0.03 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.38 2qbk n GLU 55 Cb 0.11 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 2qbk n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbk n ALA 56 N 0.03 0.06 0.11 0.62 0.00 0.06 -4.76 120.51 116.63 2qbk n ALA 56 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 2qbk n ALA 56 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 2qbk n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qbk h LYS 57 N 0.00 -0.32 -0.04 0.00 1.63 0.26 -0.36 116.57 117.75 2qbk h LYS 57 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2qbk h LYS 57 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2qbk h LYS 57 CO 0.00 -0.21 0.00 1.28 -3.45 0.00 0.00 179.45 177.07 2qbk n LEU 58 N -4.17 0.49 -0.12 5.20 4.77 -1.15 -2.90 117.00 119.12 2qbk n LEU 58 Ca -0.04 -0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 2qbk n LEU 58 Cb 0.13 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 2qbk n LEU 58 CO 0.10 0.10 -1.26 0.00 -1.33 0.00 0.00 177.39 175.00 2qbk n ALA 59 N -0.51 1.49 0.67 -1.18 0.00 -1.13 -4.33 120.51 115.52 2qbk n ALA 59 Ca 0.17 -1.10 0.09 0.00 0.00 0.00 0.00 53.44 52.60 2qbk n ALA 59 Cb 0.16 -0.09 0.26 0.00 0.00 0.00 0.00 19.45 19.78 2qbk n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbk n GLU 60 N -3.09 2.08 0.24 0.00 4.07 -0.15 -3.77 120.64 120.02 2qbk n GLU 60 Ca -0.40 -1.65 0.16 0.00 -0.06 0.00 0.00 57.16 55.21 2qbk n GLU 60 Cb 1.00 -1.41 0.63 0.00 -0.06 0.00 0.00 31.44 31.61 2qbk n GLU 60 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2qbk h VAL 61 N 2.96 0.00 -0.02 6.31 3.04 -1.72 -1.09 116.25 125.73 2qbk h VAL 61 Ca 0.00 -0.44 0.01 0.00 -1.01 0.00 0.00 66.70 65.26 2qbk h VAL 61 Cb 0.66 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2qbk h VAL 61 CO 0.00 0.00 0.02 0.17 -1.01 0.00 0.00 177.57 176.75 2qbk h LEU 62 N 0.00 0.00 -0.32 3.16 -0.00 -1.86 -3.11 115.31 113.19 2qbk h LEU 62 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 2qbk h LEU 62 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 2qbk h LEU 62 CO 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 178.44 178.25 2qbk n ALA 63 N -2.44 -0.20 -0.20 0.17 0.00 -0.41 0.65 120.51 118.08 2qbk n ALA 63 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2qbk n ALA 63 Cb 0.11 0.14 0.25 0.00 0.00 0.00 0.00 19.45 19.95 2qbk n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ALA 64 N -0.22 1.45 -0.18 0.00 0.00 -1.78 -2.77 119.26 115.76 2qbk h ALA 64 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2qbk h ALA 64 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2qbk h ALA 64 CO -0.30 0.49 -0.37 0.00 0.00 0.00 0.00 179.25 179.08 2qbk h ALA 65 N 1.52 1.04 -0.43 0.00 0.00 0.10 -3.05 119.26 118.44 2qbk h ALA 65 Ca 0.26 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2qbk h ALA 65 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qbk h ALA 65 CO -0.05 0.59 -0.29 -0.91 0.00 0.00 0.00 179.25 178.59 2qbk h ASN 66 N 0.32 0.98 0.03 0.00 2.35 0.20 -2.97 115.58 116.49 2qbk h ASN 66 Ca 0.03 -0.40 -0.06 0.00 -0.55 0.00 0.00 56.30 55.33 2qbk h ASN 66 Cb 0.80 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2qbk h ASN 66 CO 0.06 1.19 -0.15 0.00 -1.65 0.00 0.00 177.43 176.88 2qbk h ALA 67 N 0.87 1.45 -0.56 -0.83 0.00 -1.51 -3.15 119.26 115.53 2qbk h ALA 67 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2qbk h ALA 67 Cb 0.86 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2qbk h ALA 67 CO 0.08 0.39 -0.44 0.00 0.00 0.00 0.00 179.25 179.27 2qbk h ARG 68 N 0.24 -0.23 -0.88 0.00 2.47 -1.41 -2.36 114.38 112.21 2qbk h ARG 68 Ca 0.05 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.88 2qbk h ARG 68 Cb 0.42 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.68 2qbk h ARG 68 CO 0.03 -0.15 -0.46 0.00 0.56 0.00 0.00 179.97 179.94 2qbk n ALA 69 N -3.14 -0.41 -0.04 0.04 0.00 -1.19 -0.26 120.51 115.51 2qbk n ALA 69 Ca 0.01 0.80 -0.07 0.00 0.00 0.00 0.00 53.44 54.18 2qbk n ALA 69 Cb 0.35 -0.22 0.11 0.00 0.00 0.00 0.00 19.45 19.69 2qbk n ALA 69 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbk h GLU 70 N 0.00 0.66 0.06 0.00 -0.00 -1.63 -1.77 114.58 111.90 2qbk h GLU 70 Ca 0.20 -0.29 -0.00 0.00 -0.00 0.00 0.00 59.36 59.27 2qbk h GLU 70 Cb 0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.15 2qbk h GLU 70 CO -0.85 0.88 -0.03 0.87 -0.00 0.00 0.00 179.01 179.89 2qbk h LYS 71 N 0.56 -0.07 -0.27 1.06 1.57 -0.71 0.93 116.57 119.64 2qbk h LYS 71 Ca 0.07 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2qbk h LYS 71 Cb 0.80 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2qbk h LYS 71 CO 0.07 0.44 0.18 0.82 -0.57 0.00 0.00 179.45 180.38 2qbk h ILE 72 N -0.63 1.05 -0.01 1.86 2.04 -0.69 -0.59 117.51 120.54 2qbk h ILE 72 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2qbk h ILE 72 Cb 0.54 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2qbk h ILE 72 CO 0.01 0.06 -0.48 -3.20 0.00 0.00 0.00 178.15 174.55 2qbk n ASN 73 N -4.50 1.22 0.15 1.72 2.85 -0.67 -4.13 115.26 111.91 2qbk n ASN 73 Ca 0.01 -0.97 0.18 0.00 -0.11 0.00 0.00 54.58 53.70 2qbk n ASN 73 Cb 0.10 0.38 0.69 0.00 1.24 0.00 0.00 39.78 42.20 2qbk n ASN 73 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qbk h ALA 74 N 3.52 1.96 -3.24 5.20 0.00 0.26 -3.36 119.26 123.60 2qbk h ALA 74 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 2qbk h ALA 74 Cb 0.58 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 2qbk h ALA 74 CO 0.00 -0.69 -0.50 -0.48 0.00 0.00 0.00 179.25 177.58 2qbk s LEU 75 N -6.68 4.16 0.26 0.00 2.34 -1.26 -4.99 118.68 112.51 2qbk s LEU 75 Ca -0.04 0.22 -0.03 0.00 0.06 0.00 0.00 54.13 54.35 2qbk s LEU 75 Cb 0.12 -2.07 0.42 0.00 -0.56 0.00 0.00 46.19 44.10 2qbk s LEU 75 CO 0.42 0.19 1.86 -0.33 -1.06 0.00 0.00 176.35 177.44 2qbk h GLU 76 N 6.56 1.02 0.00 1.48 5.08 -1.92 -3.45 114.58 123.35 2qbk h GLU 76 Ca -0.41 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 2qbk h GLU 76 Cb 1.16 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2qbk h GLU 76 CO 0.74 0.68 0.04 0.25 -1.00 0.00 0.00 179.01 179.72 2qbk n THR 77 N -4.58 0.00 -4.09 1.13 -2.24 -1.25 -3.88 114.28 99.37 2qbk n THR 77 Ca 0.15 -0.91 -0.09 0.00 -2.27 0.00 0.00 64.05 60.94 2qbk n THR 77 Cb 0.23 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 2qbk n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbk s VAL 78 N -2.55 0.14 0.21 2.28 1.01 -1.21 -4.92 120.40 115.37 2qbk s VAL 78 Ca 0.15 -1.79 0.07 0.00 0.00 0.00 0.00 61.98 60.41 2qbk s VAL 78 Cb -0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2qbk s VAL 78 CO 0.11 -0.63 0.13 -0.89 0.00 0.00 0.00 175.10 173.81 2qbk s THR 79 N -3.99 4.24 0.15 3.92 2.01 -1.26 -2.13 115.64 118.57 2qbk s THR 79 Ca 0.17 -1.36 0.05 0.00 0.31 0.00 0.00 61.69 60.85 2qbk s THR 79 Cb 0.07 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2qbk s THR 79 CO -0.03 -0.24 -0.11 0.27 -0.69 0.00 0.00 174.62 173.82 2qbk s ILE 80 N -1.98 1.23 -0.67 1.82 -5.25 -1.26 -4.90 121.20 110.19 2qbk s ILE 80 Ca 0.31 -2.03 0.05 0.00 -0.99 0.00 0.00 60.65 58.00 2qbk s ILE 80 Cb -0.09 -1.82 0.24 0.00 2.95 0.00 0.00 42.46 43.75 2qbk s ILE 80 CO 0.23 -0.70 0.74 0.00 -1.79 0.00 0.00 174.94 173.42 2qbk n ALA 81 N -0.12 4.02 -2.47 2.27 0.00 -1.26 -4.66 120.51 118.29 2qbk n ALA 81 Ca -0.11 -4.74 -0.23 0.00 0.00 0.00 0.00 53.44 48.36 2qbk n ALA 81 Cb 0.60 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 2qbk n ALA 81 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qbk s SER 82 N -2.28 3.28 -0.06 0.00 0.01 -1.26 -5.05 113.70 108.34 2qbk s SER 82 Ca 0.37 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 56.55 2qbk s SER 82 Cb 0.11 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 2qbk s SER 82 CO -0.03 -0.17 -0.20 -0.54 0.41 0.00 0.00 173.24 172.71 2qbk s LYS 83 N -3.62 2.60 0.34 12.44 1.02 -1.26 -3.65 119.74 127.60 2qbk s LYS 83 Ca 0.30 -0.81 0.10 0.00 0.02 0.00 0.00 55.97 55.57 2qbk s LYS 83 Cb 0.00 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 34.97 2qbk s LYS 83 CO 0.14 0.46 -0.09 0.00 -0.92 0.00 0.00 175.35 174.93 2qbk s ALA 84 N -0.33 2.97 0.00 5.17 0.00 -1.26 -2.29 121.76 126.03 2qbk s ALA 84 Ca 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2qbk s ALA 84 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2qbk s ALA 84 CO 0.02 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2qbk n GLY 85 N -0.80 0.04 0.00 0.00 0.00 0.30 -4.79 105.19 99.95 2qbk n GLY 85 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2qbk n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbk n ASP 86 N -1.36 0.00 -4.16 1.61 8.00 -1.26 -4.77 116.55 114.62 2qbk n ASP 86 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 2qbk n ASP 86 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2qbk n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qbk n GLU 87 N 0.00 4.03 0.00 -1.24 4.71 -1.26 -4.48 120.64 122.40 2qbk n GLU 87 Ca 0.00 -4.49 0.00 0.00 -0.01 0.00 0.00 57.16 52.66 2qbk n GLU 87 Cb 0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 31.44 27.89 2qbk n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qbk n GLY 88 N 1.99 2.11 3.57 0.62 0.00 -1.26 -4.64 105.19 107.58 2qbk n GLY 88 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2qbk n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk s LYS 89 N -0.98 1.47 0.23 1.61 3.01 -1.22 -1.97 119.74 121.88 2qbk s LYS 89 Ca 0.00 -0.04 -0.32 0.00 -1.01 0.00 0.00 55.97 54.60 2qbk s LYS 89 Cb 0.00 -4.91 -0.13 0.00 -1.01 0.00 0.00 37.83 31.78 2qbk s LYS 89 CO 0.00 -4.89 1.50 1.28 0.51 0.00 0.00 175.35 173.75 2qbk n LEU 90 N 18.81 3.37 0.12 3.17 4.32 -0.93 0.11 117.00 145.98 2qbk n LEU 90 Ca 0.44 1.12 -0.13 0.00 -0.02 0.00 0.00 56.01 57.42 2qbk n LEU 90 Cb 0.45 -1.46 -0.07 0.00 -1.62 0.00 0.00 43.42 40.72 2qbk n LEU 90 CO 0.57 -0.29 0.78 -0.26 -1.22 0.00 0.00 177.39 176.97 2qbk h PHE 91 N 4.86 -0.33 0.00 -1.77 -1.00 -1.76 -3.43 116.94 113.51 2qbk h PHE 91 Ca -0.45 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.33 2qbk h PHE 91 Cb 1.26 0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.94 2qbk h PHE 91 CO 0.59 -0.20 0.00 0.41 -1.61 0.00 0.00 178.31 177.50 2qbk n GLY 92 N -1.25 0.80 3.53 -1.45 0.00 -1.26 -5.08 105.19 100.49 2qbk n GLY 92 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 2qbk n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbk s SER 93 N -1.00 -0.31 0.04 1.61 0.01 -1.26 -4.95 113.70 107.83 2qbk s SER 93 Ca 0.00 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.76 2qbk s SER 93 Cb 0.00 1.21 -0.04 0.00 0.21 0.00 0.00 66.02 67.41 2qbk s SER 93 CO 0.00 -0.07 0.03 -0.51 0.41 0.00 0.00 173.24 173.10 2qbk s ILE 94 N 1.55 4.28 -4.91 1.44 1.10 -1.23 -5.06 121.20 118.37 2qbk s ILE 94 Ca -0.06 -0.70 0.00 0.00 -0.51 0.00 0.00 60.65 59.38 2qbk s ILE 94 Cb -0.03 -2.98 0.00 0.00 0.15 0.00 0.00 42.46 39.60 2qbk s ILE 94 CO -0.14 0.26 0.00 0.61 -2.11 0.00 0.00 174.94 173.56 2qbk n GLY 95 N 0.98 -2.64 4.69 1.50 0.00 -1.26 -4.13 105.19 104.34 2qbk n GLY 95 Ca -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2qbk n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbk n THR 96 N 0.86 0.00 -0.17 2.61 5.66 -1.26 0.95 114.28 122.93 2qbk n THR 96 Ca 0.00 0.00 0.23 0.00 -3.05 0.00 0.00 64.05 61.23 2qbk n THR 96 Cb 0.00 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.41 2qbk n THR 96 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2qbk h ARG 97 N 0.00 0.16 0.00 1.09 0.11 -1.98 0.36 114.38 114.12 2qbk h ARG 97 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2qbk h ARG 97 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2qbk h ARG 97 CO 0.00 0.10 0.00 -0.25 0.10 0.00 0.00 179.97 179.92 2qbk n ASP 98 N -4.38 0.00 0.21 0.08 8.00 0.27 -2.79 116.55 117.94 2qbk n ASP 98 Ca 0.17 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.33 2qbk n ASP 98 Cb 0.79 -0.26 0.55 0.00 -0.02 0.00 0.00 41.12 42.18 2qbk n ASP 98 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2qbk h ILE 99 N 0.00 0.00 0.22 0.53 3.07 -1.58 -2.60 117.51 117.15 2qbk h ILE 99 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 2qbk h ILE 99 Cb 0.00 0.45 0.00 0.00 -0.27 0.00 0.00 36.82 37.00 2qbk h ILE 99 CO 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 178.15 176.99 2qbk h ALA 100 N 1.41 -0.77 -0.71 0.16 0.00 -0.90 -2.74 119.26 115.70 2qbk h ALA 100 Ca 0.00 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2qbk h ALA 100 Cb 0.49 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2qbk h ALA 100 CO 0.00 -0.75 0.50 -0.44 0.00 0.00 0.00 179.25 178.56 2qbk h ASP 101 N -0.39 0.09 0.20 0.00 3.32 -1.29 -0.59 116.42 117.75 2qbk h ASP 101 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2qbk h ASP 101 Cb 0.23 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2qbk h ASP 101 CO 0.05 0.04 -0.11 0.00 -1.72 0.00 0.00 179.24 177.50 2qbk h ALA 102 N 1.66 -1.01 -0.24 3.45 0.00 -1.51 1.02 119.26 122.63 2qbk h ALA 102 Ca 0.34 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2qbk h ALA 102 Cb 1.22 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2qbk h ALA 102 CO -0.03 -1.00 0.19 -0.24 0.00 0.00 0.00 179.25 178.17 2qbk h VAL 103 N -0.29 0.75 -0.10 0.00 3.04 -1.16 -0.73 116.25 117.76 2qbk h VAL 103 Ca -0.03 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.61 2qbk h VAL 103 Cb 0.23 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2qbk h VAL 103 CO 0.03 0.00 -0.15 0.74 -1.01 0.00 0.00 177.57 177.19 2qbk h THR 104 N 0.00 1.38 -0.09 3.17 2.02 -0.78 -2.67 112.91 115.94 2qbk h THR 104 Ca 0.11 -1.37 0.03 0.00 0.77 0.00 0.00 66.41 65.95 2qbk h THR 104 Cb 0.49 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2qbk h THR 104 CO -0.00 0.39 0.13 0.00 0.37 0.00 0.00 175.52 176.41 2qbk h ALA 105 N 0.55 1.55 -0.07 6.16 0.00 0.26 -0.73 119.26 126.98 2qbk h ALA 105 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2qbk h ALA 105 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qbk h ALA 105 CO 0.03 -0.18 -0.25 0.00 0.00 0.00 0.00 179.25 178.86 2qbk h ALA 106 N 1.82 0.12 0.00 0.00 0.00 -1.06 -3.49 119.26 116.65 2qbk h ALA 106 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qbk h ALA 106 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qbk h ALA 106 CO -0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2qbk n GLY 107 N 0.64 -1.39 3.74 0.00 0.00 -0.28 -5.12 105.19 102.78 2qbk n GLY 107 Ca -0.08 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 2qbk n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbk s VAL 108 N 0.00 2.33 0.00 1.61 1.01 -1.25 -4.88 120.40 119.23 2qbk s VAL 108 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2qbk s VAL 108 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2qbk s VAL 108 CO 0.00 0.04 0.72 1.21 0.00 0.00 0.00 175.10 177.07 2qbk n GLU 109 N 2.69 0.00 -4.06 2.72 4.07 -1.26 -3.52 120.64 121.28 2qbk n GLU 109 Ca 0.09 0.32 -0.33 0.00 -0.06 0.00 0.00 57.16 57.19 2qbk n GLU 109 Cb 0.38 -1.22 -0.06 0.00 -0.06 0.00 0.00 31.44 30.48 2qbk n GLU 109 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2qbk n VAL 110 N -1.31 -0.02 -1.69 6.31 3.14 -1.26 -4.31 118.33 119.20 2qbk n VAL 110 Ca 0.00 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.94 2qbk n VAL 110 Cb 0.00 -0.40 -0.03 0.00 -1.06 0.00 0.00 33.84 32.34 2qbk n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbk n ALA 111 N -3.70 1.86 -1.29 1.55 0.00 -1.26 -4.81 120.51 112.87 2qbk n ALA 111 Ca 0.09 0.42 -0.48 0.00 0.00 0.00 0.00 53.44 53.47 2qbk n ALA 111 Cb 0.46 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 2qbk n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbk n LYS 112 N 3.19 0.00 0.00 0.00 2.85 -1.26 -4.84 118.16 118.09 2qbk n LYS 112 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2qbk n LYS 112 Cb 0.32 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 2qbk n LYS 112 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2qbk n SER 113 N 1.57 0.00 -0.04 -5.58 7.64 -1.26 -4.99 113.62 110.96 2qbk n SER 113 Ca 0.17 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.08 2qbk n SER 113 Cb 0.15 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.51 2qbk n SER 113 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2qbk n GLU 114 N 0.00 1.05 -1.40 1.43 0.28 -1.26 -4.94 120.64 115.81 2qbk n GLU 114 Ca 0.00 -0.08 -0.42 0.00 -0.16 0.00 0.00 57.16 56.50 2qbk n GLU 114 Cb 0.00 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 31.77 2qbk n GLU 114 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2qbk n VAL 115 N -0.51 1.38 -1.35 3.84 3.14 -1.26 -4.57 118.33 119.00 2qbk n VAL 115 Ca 0.05 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.61 2qbk n VAL 115 Cb 0.04 -0.32 0.06 0.00 -1.06 0.00 0.00 33.84 32.55 2qbk n VAL 115 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2qbk n ARG 116 N 0.87 2.51 -1.68 1.45 0.00 -1.26 -4.91 116.66 113.64 2qbk n ARG 116 Ca 0.12 -2.94 -0.45 0.00 -0.00 0.00 0.00 57.85 54.58 2qbk n ARG 116 Cb 0.39 -2.15 -0.04 0.00 0.00 0.00 0.00 32.46 30.66 2qbk n ARG 116 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2qbk n LEU 117 N -0.50 3.52 -0.10 6.15 7.94 -1.26 -4.87 117.00 127.88 2qbk n LEU 117 Ca 0.54 1.02 0.25 0.00 -1.11 0.00 0.00 56.01 56.72 2qbk n LEU 117 Cb 0.57 -1.46 0.71 0.00 0.53 0.00 0.00 43.42 43.77 2qbk n LEU 117 CO 0.64 -0.06 1.23 -0.65 -1.11 0.00 0.00 177.39 177.44 2qbk h PRO 118 N 7.61 0.01 0.00 1.96 0.11 -1.94 -3.45 132.00 136.29 2qbk h PRO 118 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qbk h PRO 118 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qbk h PRO 118 CO 0.92 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.99 2qbk n ASN 119 N -4.32 0.00 -3.61 -2.05 0.23 -1.26 -5.02 115.26 99.23 2qbk n ASN 119 Ca 0.15 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.78 2qbk n ASN 119 Cb 0.80 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.47 2qbk n ASN 119 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qbk n GLY 120 N -0.61 3.27 0.00 4.83 0.00 -1.26 -4.76 105.19 106.66 2qbk n GLY 120 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2qbk n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbk n VAL 121 N 5.50 0.00 -1.39 1.61 0.24 -1.26 -4.74 118.33 118.28 2qbk n VAL 121 Ca 0.51 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.68 2qbk n VAL 121 Cb 0.37 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.69 2qbk n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbk n LEU 122 N 0.00 -0.78 -0.94 1.34 7.99 -1.26 -3.57 117.00 119.78 2qbk n LEU 122 Ca 0.00 0.33 -0.01 0.00 -0.01 0.00 0.00 56.01 56.32 2qbk n LEU 122 Cb 0.00 -2.39 0.01 0.00 -0.11 0.00 0.00 43.42 40.93 2qbk n LEU 122 CO 0.00 -0.89 0.48 0.54 -1.51 0.00 0.00 177.39 176.01 2qbk n ARG 123 N -1.85 1.10 -3.58 3.23 1.74 -1.26 -4.55 116.66 111.50 2qbk n ARG 123 Ca -0.13 -0.16 -0.16 0.00 -0.77 0.00 0.00 57.85 56.62 2qbk n ARG 123 Cb 0.53 -1.18 -0.07 0.00 -1.02 0.00 0.00 32.46 30.73 2qbk n ARG 123 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2qbk s THR 124 N -0.40 0.00 0.86 0.55 -1.32 -0.83 -2.18 115.64 112.33 2qbk s THR 124 Ca 0.03 -0.04 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 2qbk s THR 124 Cb 0.02 -0.95 0.11 0.00 -1.51 0.00 0.00 72.50 70.18 2qbk s THR 124 CO 0.01 -0.02 1.17 0.42 -2.21 0.00 0.00 174.62 173.99 2qbk s THR 125 N -0.73 1.99 0.00 5.08 -4.23 -1.23 -4.72 115.64 111.80 2qbk s THR 125 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2qbk s THR 125 Cb -0.02 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.92 2qbk s THR 125 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2qbk n GLY 126 N -2.92 1.95 3.64 3.99 0.00 0.41 -4.76 105.19 107.50 2qbk n GLY 126 Ca 0.08 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2qbk n GLY 126 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qbk n GLU 127 N 1.90 1.39 -3.62 1.61 0.00 -1.26 0.28 120.64 120.95 2qbk n GLU 127 Ca 0.00 0.51 -0.20 0.00 0.00 0.00 0.00 57.16 57.47 2qbk n GLU 127 Cb 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 31.44 29.09 2qbk n GLU 127 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2qbk s HIS 128 N -1.33 -0.07 -0.06 -1.84 3.76 0.30 -4.77 115.29 111.29 2qbk s HIS 128 Ca 0.67 0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 55.51 2qbk s HIS 128 Cb -0.49 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 2qbk s HIS 128 CO 0.54 -0.39 1.50 -1.83 -0.85 0.00 0.00 174.74 173.71 2qbk s GLU 129 N 2.24 4.22 -0.08 1.40 4.04 -1.26 0.20 118.70 129.45 2qbk s GLU 129 Ca 0.04 2.02 -0.04 0.00 0.04 0.00 0.00 54.97 57.03 2qbk s GLU 129 Cb -0.14 -3.82 0.05 0.00 0.02 0.00 0.00 34.13 30.24 2qbk s GLU 129 CO -0.07 -0.74 0.18 0.08 -1.84 0.00 0.00 175.26 172.86 2qbk s VAL 130 N 3.46 -0.15 0.37 1.83 1.01 -0.99 -4.92 120.40 121.01 2qbk s VAL 130 Ca 0.67 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.93 2qbk s VAL 130 Cb -0.30 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.82 2qbk s VAL 130 CO 0.25 0.10 0.35 -0.24 0.00 0.00 0.00 175.10 175.56 2qbk n SER 131 N 4.67 1.94 -3.64 3.32 2.88 -1.25 -0.52 113.62 121.01 2qbk n SER 131 Ca -0.18 -2.19 -0.08 0.00 -1.33 0.00 0.00 58.87 55.10 2qbk n SER 131 Cb 0.51 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 2qbk n SER 131 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2qbk s PHE 132 N -1.68 -1.02 -0.37 0.66 5.36 -1.22 -4.52 117.98 115.19 2qbk s PHE 132 Ca 0.27 2.06 -0.15 0.00 -0.96 0.00 0.00 56.93 58.14 2qbk s PHE 132 Cb -0.02 0.59 0.00 0.00 -0.34 0.00 0.00 43.02 43.25 2qbk s PHE 132 CO 0.17 -0.51 0.34 1.14 -1.46 0.00 0.00 175.22 174.90 2qbk s GLN 133 N 1.57 3.33 -0.03 10.12 -2.07 -1.25 -2.54 119.66 128.80 2qbk s GLN 133 Ca -0.10 -0.66 0.13 0.00 -1.82 0.00 0.00 55.36 52.91 2qbk s GLN 133 Cb -0.05 -3.88 -0.22 0.00 -1.09 0.00 0.00 33.01 27.77 2qbk s GLN 133 CO -0.19 -0.62 0.69 0.28 -1.32 0.00 0.00 175.29 174.14 2qbk h VAL 134 N 5.59 0.85 -1.96 3.63 2.07 -1.82 -3.40 116.25 121.22 2qbk h VAL 134 Ca -0.29 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2qbk h VAL 134 Cb 1.13 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2qbk h VAL 134 CO 0.71 0.49 0.00 1.57 0.02 0.00 0.00 177.57 180.36 2qbk n HIS 135 N -3.05 0.00 0.15 1.57 -0.00 -1.25 -4.98 115.22 107.67 2qbk n HIS 135 Ca -0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.42 2qbk n HIS 135 Cb 1.04 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.96 2qbk n HIS 135 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2qbk h SER 136 N 0.00 -0.97 -0.38 0.26 0.02 -2.02 -3.07 113.55 107.39 2qbk h SER 136 Ca 0.00 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 2qbk h SER 136 Cb 0.00 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 2qbk h SER 136 CO 0.00 -0.44 0.01 -0.62 -1.14 0.00 0.00 176.83 174.63 2qbk n GLU 137 N -5.44 2.18 -4.27 3.45 4.71 -1.26 -4.98 120.64 115.03 2qbk n GLU 137 Ca -0.08 -3.08 -0.34 0.00 -0.01 0.00 0.00 57.16 53.66 2qbk n GLU 137 Cb 0.34 -1.86 -0.11 0.00 -1.01 0.00 0.00 31.44 28.80 2qbk n GLU 137 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qbk s VAL 138 N -3.14 4.20 -0.30 2.62 1.01 -1.16 -5.02 120.40 118.61 2qbk s VAL 138 Ca 0.45 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2qbk s VAL 138 Cb 0.40 -2.86 0.21 0.00 0.00 0.00 0.00 36.38 34.12 2qbk s VAL 138 CO 0.03 0.49 1.36 0.72 0.00 0.00 0.00 175.10 177.70 2qbk s PHE 139 N 0.30 -0.04 -0.21 5.22 -0.12 -1.22 -2.18 117.98 119.73 2qbk s PHE 139 Ca -0.01 0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 56.94 2qbk s PHE 139 Cb -0.13 0.24 0.06 0.00 -0.63 0.00 0.00 43.02 42.55 2qbk s PHE 139 CO 0.02 -0.02 -0.01 0.00 -0.05 0.00 0.00 175.22 175.16 2qbk s ALA 140 N 0.56 1.51 -1.18 1.99 0.00 -1.05 -4.85 121.76 118.75 2qbk s ALA 140 Ca -0.01 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 2qbk s ALA 140 Cb -0.03 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 2qbk s ALA 140 CO -0.13 -1.17 1.90 0.15 0.00 0.00 0.00 175.76 176.51 2qbk s LYS 141 N 1.61 2.75 -0.32 0.00 3.01 -1.26 -3.39 119.74 122.14 2qbk s LYS 141 Ca -0.03 -1.23 -0.16 0.00 -1.01 0.00 0.00 55.97 53.53 2qbk s LYS 141 Cb -0.18 -5.28 -0.02 0.00 -1.01 0.00 0.00 37.83 31.35 2qbk s LYS 141 CO -0.07 -3.64 0.43 0.08 0.51 0.00 0.00 175.35 172.67 2qbk s VAL 142 N 9.78 5.11 0.62 3.17 1.01 0.33 -4.71 120.40 135.70 2qbk s VAL 142 Ca 0.66 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 2qbk s VAL 142 Cb -0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2qbk s VAL 142 CO 0.11 -0.07 1.09 -0.63 0.00 0.00 0.00 175.10 175.61 2qbk s ILE 143 N 2.19 3.44 -0.10 2.22 1.01 -1.25 -2.35 121.20 126.37 2qbk s ILE 143 Ca 0.16 0.70 -0.01 0.00 0.00 0.00 0.00 60.65 61.50 2qbk s ILE 143 Cb -0.16 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.11 2qbk s ILE 143 CO 0.12 -0.38 -0.02 0.68 0.00 0.00 0.00 174.94 175.33 2qbk s VAL 144 N -2.30 0.63 -0.62 2.92 -7.23 0.13 -3.28 120.40 110.65 2qbk s VAL 144 Ca 0.67 -0.08 -0.28 0.00 -1.81 0.00 0.00 61.98 60.48 2qbk s VAL 144 Cb -0.19 -0.76 0.02 0.00 0.56 0.00 0.00 36.38 36.01 2qbk s VAL 144 CO 0.38 0.26 1.35 0.21 -0.31 0.00 0.00 175.10 176.99 2qbk s ASN 145 N 1.87 6.17 0.24 4.85 3.84 -0.91 0.11 114.94 131.11 2qbk s ASN 145 Ca 0.04 0.05 -0.30 0.00 0.21 0.00 0.00 52.86 52.86 2qbk s ASN 145 Cb -0.13 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 37.93 2qbk s ASN 145 CO -0.06 -1.73 1.17 -0.69 -2.79 0.00 0.00 177.10 173.00 2qbk s VAL 146 N 5.87 3.44 0.05 -5.21 1.01 0.14 -4.45 120.40 121.26 2qbk s VAL 146 Ca 0.46 1.33 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 2qbk s VAL 146 Cb -0.09 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2qbk s VAL 146 CO 0.22 0.27 0.18 -0.69 0.00 0.00 0.00 175.10 175.08 2qbk s VAL 147 N -0.63 0.12 0.00 2.92 1.01 -1.26 0.16 120.40 122.71 2qbk s VAL 147 Ca 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2qbk s VAL 147 Cb -0.33 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2qbk s VAL 147 CO 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.95 2qbk n ALA 148 N 0.53 0.00 0.87 5.51 0.00 -1.26 -4.26 120.51 121.90 2qbk n ALA 148 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.36 2qbk n ALA 148 Cb 0.60 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.13 2qbk n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89