#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan n ARG 3 N 0.00 0.59 -1.62 -0.14 1.85 -1.26 -4.92 116.66 111.16 2qan n ARG 3 Ca 0.00 0.34 -0.48 0.00 -1.00 0.00 0.00 57.85 56.71 2qan n ARG 3 Cb 0.00 -1.57 -0.05 0.00 -1.05 0.00 0.00 32.46 29.79 2qan n ARG 3 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2qan n ARG 4 N -4.22 1.88 -2.84 2.89 3.00 -1.26 -4.94 116.66 111.17 2qan n ARG 4 Ca -0.48 0.64 -0.40 0.00 -0.00 0.00 0.00 57.85 57.61 2qan n ARG 4 Cb 0.84 -2.68 -0.05 0.00 0.00 0.00 0.00 32.46 30.57 2qan n ARG 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qan s VAL 5 N 5.40 4.40 0.20 5.15 1.01 -1.26 -5.07 120.40 130.23 2qan s VAL 5 Ca 0.98 1.91 0.07 0.00 0.00 0.00 0.00 61.98 64.93 2qan s VAL 5 Cb -0.69 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.41 2qan s VAL 5 CO 0.49 0.42 -0.12 -0.63 0.00 0.00 0.00 175.10 175.27 2qan s ILE 6 N -0.60 1.55 0.00 2.22 1.01 -1.26 -5.16 121.20 118.96 2qan s ILE 6 Ca 0.41 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 58.90 2qan s ILE 6 Cb -0.23 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2qan s ILE 6 CO 0.28 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 175.24 2qan n GLY 7 N -0.35 4.13 3.72 6.18 0.00 -1.26 -5.13 105.19 112.47 2qan n GLY 7 Ca -0.08 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 2qan n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qan s GLN 8 N 4.64 4.13 -0.48 1.61 2.00 -1.26 -5.06 119.66 125.24 2qan s GLN 8 Ca 0.00 -0.24 -0.28 0.00 -2.00 0.00 0.00 55.36 52.84 2qan s GLN 8 Cb 0.00 -3.38 0.03 0.00 0.80 0.00 0.00 33.01 30.46 2qan s GLN 8 CO 0.00 0.31 1.11 0.50 -0.50 0.00 0.00 175.29 176.71 2qan s ARG 9 N 0.32 3.68 0.09 1.67 3.52 -1.26 -4.97 118.95 122.00 2qan s ARG 9 Ca 0.07 0.48 -0.34 0.00 -0.13 0.00 0.00 55.73 55.81 2qan s ARG 9 Cb -0.11 -3.92 -0.14 0.00 -1.56 0.00 0.00 34.95 29.22 2qan s ARG 9 CO -0.01 -1.38 1.63 1.17 -0.81 0.00 0.00 175.30 175.89 2qan n LYS 10 N 7.79 2.04 -3.96 5.12 4.81 -1.26 -4.97 118.16 127.74 2qan n LYS 10 Ca 0.11 0.74 -0.31 0.00 -0.87 0.00 0.00 58.31 57.98 2qan n LYS 10 Cb 0.49 -2.51 -0.05 0.00 0.02 0.00 0.00 35.03 32.98 2qan n LYS 10 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qan s ILE 11 N 1.63 5.13 0.09 3.15 1.09 -1.26 -5.07 121.20 125.95 2qan s ILE 11 Ca 0.83 -0.50 -0.31 0.00 -1.10 0.00 0.00 60.65 59.57 2qan s ILE 11 Cb -0.72 -3.49 -0.07 0.00 -1.06 0.00 0.00 42.46 37.12 2qan s ILE 11 CO 0.42 0.14 1.32 -0.22 -0.10 0.00 0.00 174.94 176.50 2qan s LEU 12 N -2.46 4.37 0.77 2.97 1.98 -1.26 -4.97 118.68 120.08 2qan s LEU 12 Ca 0.33 2.19 -0.15 0.00 -2.89 0.00 0.00 54.13 53.61 2qan s LEU 12 Cb -0.13 -3.58 0.01 0.00 0.66 0.00 0.00 46.19 43.15 2qan s LEU 12 CO 0.26 -0.59 0.75 -0.81 -1.89 0.00 0.00 176.35 174.07 2qan n PRO 13 N 4.03 0.24 -1.69 0.98 -0.04 -1.26 -4.79 135.00 132.48 2qan n PRO 13 Ca 0.11 0.14 -0.45 0.00 -0.04 0.00 0.00 63.50 63.26 2qan n PRO 13 Cb 0.44 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 2qan n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qan n ASP 14 N -1.36 3.33 0.23 3.54 -0.08 -1.22 -4.81 116.55 116.18 2qan n ASP 14 Ca 0.11 1.09 -0.10 0.00 -1.51 0.00 0.00 54.79 54.38 2qan n ASP 14 Cb 0.50 -1.48 -0.05 0.00 2.34 0.00 0.00 41.12 42.44 2qan n ASP 14 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2qan h PRO 15 N 5.81 -0.62 0.00 -0.67 0.13 -1.94 0.32 132.00 135.04 2qan h PRO 15 Ca -0.45 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qan h PRO 15 Cb 1.24 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2qan h PRO 15 CO 0.88 -0.41 0.00 1.17 -0.23 0.00 0.00 178.00 179.41 2qan n LYS 16 N -4.80 0.17 0.00 0.86 4.81 -1.26 -4.48 118.16 113.46 2qan n LYS 16 Ca -0.08 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2qan n LYS 16 Cb 0.25 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.43 2qan n LYS 16 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2qan n PHE 17 N -2.21 0.00 0.00 5.64 3.01 -1.23 -5.10 117.46 117.57 2qan n PHE 17 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2qan n PHE 17 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2qan n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qan n GLY 18 N 2.82 0.64 3.32 1.37 0.00 0.11 -4.88 105.19 108.57 2qan n GLY 18 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qan n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qan s SER 19 N -0.72 4.32 0.19 1.61 1.04 -1.26 -4.40 113.70 114.48 2qan s SER 19 Ca 0.00 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 2qan s SER 19 Cb 0.00 -1.74 0.22 0.00 0.10 0.00 0.00 66.02 64.60 2qan s SER 19 CO 0.00 -0.01 1.68 -0.33 0.98 0.00 0.00 173.24 175.55 2qan h GLU 20 N 8.05 0.11 -0.17 4.02 5.08 -1.93 -0.11 114.58 129.63 2qan h GLU 20 Ca -0.41 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2qan h GLU 20 Cb 1.16 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 2qan h GLU 20 CO 0.60 0.07 -0.23 1.37 -1.00 0.00 0.00 179.01 179.82 2qan h LEU 21 N 0.11 -0.73 -0.86 1.33 -0.00 -1.97 -1.21 115.31 111.98 2qan h LEU 21 Ca 0.27 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 58.35 2qan h LEU 21 Cb 0.41 0.33 -0.07 0.00 -0.00 0.00 0.00 40.66 41.34 2qan h LEU 21 CO -0.45 -0.28 0.52 0.25 -0.00 0.00 0.00 178.44 178.48 2qan h LEU 22 N -0.28 0.79 0.29 0.17 6.46 -1.74 -2.31 115.31 118.69 2qan h LEU 22 Ca 0.11 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2qan h LEU 22 Cb 0.45 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2qan h LEU 22 CO -0.33 0.48 -0.48 0.00 -0.62 0.00 0.00 178.44 177.49 2qan h ALA 23 N 1.43 -1.05 -0.25 1.25 0.00 0.13 -1.58 119.26 119.21 2qan h ALA 23 Ca 0.39 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2qan h ALA 23 Cb 0.26 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qan h ALA 23 CO -0.21 -1.12 0.19 -0.22 0.00 0.00 0.00 179.25 177.89 2qan h LYS 24 N -0.82 0.00 -0.53 0.00 3.64 -1.18 0.12 116.57 117.79 2qan h LYS 24 Ca -0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2qan h LYS 24 Cb 0.76 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2qan h LYS 24 CO -0.16 0.00 0.25 0.35 -2.27 0.00 0.00 179.45 177.61 2qan h PHE 25 N 0.00 0.74 -0.20 1.91 3.57 -0.74 -1.02 116.94 121.20 2qan h PHE 25 Ca 0.12 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 2qan h PHE 25 Cb 0.49 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2qan h PHE 25 CO 0.00 0.55 -0.52 -0.39 -2.23 0.00 0.00 178.31 175.72 2qan h VAL 26 N 0.75 1.32 -0.36 1.41 -1.51 -0.24 -2.88 116.25 114.73 2qan h VAL 26 Ca 0.19 -1.76 -0.05 0.00 -1.23 0.00 0.00 66.70 63.85 2qan h VAL 26 Cb 0.09 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 2qan h VAL 26 CO -0.02 0.55 0.04 0.78 -1.23 0.00 0.00 177.57 177.68 2qan h ASN 27 N 0.44 0.59 -0.85 4.19 2.35 -1.06 0.38 115.58 121.62 2qan h ASN 27 Ca 0.01 -0.28 0.09 0.00 -0.55 0.00 0.00 56.30 55.58 2qan h ASN 27 Cb 1.06 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 39.20 2qan h ASN 27 CO 0.10 0.72 0.50 0.40 -1.65 0.00 0.00 177.43 177.50 2qan h ILE 28 N 0.44 0.93 0.00 2.81 1.08 -1.17 -0.44 117.51 121.17 2qan h ILE 28 Ca 0.11 -0.29 -0.12 0.00 -0.39 0.00 0.00 64.86 64.16 2qan h ILE 28 Cb 0.40 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 2qan h ILE 28 CO 0.01 0.16 -0.59 0.25 -0.69 0.00 0.00 178.15 177.28 2qan h LEU 29 N 0.85 0.00-10.02 1.44 6.46 -1.28 -3.46 115.31 109.30 2qan h LEU 29 Ca 0.41 0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.62 2qan h LEU 29 Cb 0.34 0.00 0.18 0.00 -0.73 0.00 0.00 40.66 40.46 2qan h LEU 29 CO -0.24 0.59 0.11 0.80 -0.62 0.00 0.00 178.44 179.09 2qan n MET 30 N -3.29 0.31 -3.73 1.25 1.56 0.13 -4.94 117.12 108.41 2qan n MET 30 Ca 0.01 0.17 -0.14 0.00 -0.27 0.00 0.00 57.70 57.48 2qan n MET 30 Cb 0.75 -2.26 -0.09 0.00 2.15 0.00 0.00 33.22 33.77 2qan n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2qan s VAL 31 N -1.99 0.02 -1.53 1.12 0.11 -1.26 -4.90 120.40 111.98 2qan s VAL 31 Ca 0.72 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2qan s VAL 31 Cb -0.31 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2qan s VAL 31 CO 0.52 -0.09 0.00 0.47 -3.33 0.00 0.00 175.10 172.67 2qan n ASP 32 N 2.17 -4.89 -1.58 3.54 10.43 -1.26 -0.87 116.55 124.10 2qan n ASP 32 Ca -0.16 0.15 -0.17 0.00 2.57 0.00 0.00 54.79 57.18 2qan n ASP 32 Cb 0.57 -4.16 -0.04 0.00 1.84 0.00 0.00 41.12 39.32 2qan n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qan n GLY 33 N -0.79 0.78 2.93 0.44 0.00 -1.26 -4.90 105.19 102.40 2qan n GLY 33 Ca -0.19 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2qan n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qan n LYS 34 N -2.56 4.16 -0.23 1.61 5.02 -0.04 -4.82 118.16 121.29 2qan n LYS 34 Ca -0.18 -4.12 0.06 0.00 -2.02 0.00 0.00 58.31 52.04 2qan n LYS 34 Cb 0.60 -2.68 0.31 0.00 -0.02 0.00 0.00 35.03 33.24 2qan n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qan h LYS 35 N 5.51 0.84 0.58 1.97 3.64 -1.90 -2.49 116.57 124.72 2qan h LYS 35 Ca 0.29 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2qan h LYS 35 Cb 0.61 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2qan h LYS 35 CO 1.46 0.55 -0.28 0.66 -2.27 0.00 0.00 179.45 179.58 2qan h SER 36 N 0.86 -0.66 -0.98 4.20 4.64 -1.98 -2.35 113.55 117.28 2qan h SER 36 Ca 0.35 -0.03 0.23 0.00 -0.47 0.00 0.00 61.79 61.87 2qan h SER 36 Cb 0.25 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.43 2qan h SER 36 CO -0.12 -0.37 0.64 0.74 -0.87 0.00 0.00 176.83 176.84 2qan h THR 37 N -0.92 0.61 0.89 2.95 2.02 -1.93 -0.63 112.91 115.90 2qan h THR 37 Ca -0.08 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2qan h THR 37 Cb 0.64 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2qan h THR 37 CO 0.13 0.08 -0.43 0.00 0.37 0.00 0.00 175.52 175.67 2qan h ALA 38 N 1.61 -1.20 -0.88 6.16 0.00 -1.14 -2.77 119.26 121.04 2qan h ALA 38 Ca 0.53 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2qan h ALA 38 Cb 1.31 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 2qan h ALA 38 CO -0.24 -1.16 0.57 0.93 0.00 0.00 0.00 179.25 179.36 2qan h GLU 39 N -1.23 0.78 0.00 0.00 5.08 -0.75 0.29 114.58 118.75 2qan h GLU 39 Ca -0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2qan h GLU 39 Cb 0.92 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2qan h GLU 39 CO 0.20 0.52 0.00 0.43 -1.00 0.00 0.00 179.01 179.16 2qan n SER 40 N -4.54 0.49 -0.10 1.42 7.64 -0.35 -2.22 113.62 115.96 2qan n SER 40 Ca 0.16 0.68 -0.14 0.00 1.01 0.00 0.00 58.87 60.58 2qan n SER 40 Cb 0.36 -0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 62.72 2qan n SER 40 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2qan n ILE 41 N -2.10 1.09 0.30 0.44 5.41 0.77 -4.13 119.36 121.14 2qan n ILE 41 Ca 0.00 -0.41 -0.17 0.00 1.00 0.00 0.00 62.75 63.18 2qan n ILE 41 Cb 0.11 -1.22 -0.08 0.00 -0.71 0.00 0.00 39.64 37.74 2qan n ILE 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2qan h VAL 42 N -0.05 0.29 -0.06 1.39 2.07 -0.62 -2.46 116.25 116.81 2qan h VAL 42 Ca -0.43 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2qan h VAL 42 Cb 1.65 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2qan h VAL 42 CO -0.08 0.00 0.02 1.88 0.02 0.00 0.00 177.57 179.41 2qan h TYR 43 N -0.83 0.10 -0.91 1.57 0.05 -1.71 0.53 116.97 115.77 2qan h TYR 43 Ca -0.06 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.89 2qan h TYR 43 Cb 0.69 -0.03 -0.11 0.00 1.01 0.00 0.00 36.73 38.29 2qan h TYR 43 CO -0.12 0.24 0.48 0.66 -1.05 0.00 0.00 178.16 178.37 2qan h SER 44 N -0.07 0.55 0.86 3.88 4.64 -1.71 0.71 113.55 122.41 2qan h SER 44 Ca 0.02 0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 61.22 2qan h SER 44 Cb 0.18 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 2qan h SER 44 CO -0.00 0.18 -1.20 0.00 -0.87 0.00 0.00 176.83 174.93 2qan h ALA 45 N 1.62 0.52 0.00 5.18 0.00 -1.30 -2.67 119.26 122.61 2qan h ALA 45 Ca 0.52 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2qan h ALA 45 Cb 0.84 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2qan h ALA 45 CO -0.41 1.30 0.00 1.25 0.00 0.00 0.00 179.25 181.39 2qan h LEU 46 N 0.00 0.00 0.01 0.00 5.85 0.25 -2.91 115.31 118.51 2qan h LEU 46 Ca -0.10 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.33 2qan h LEU 46 Cb 1.81 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 2qan h LEU 46 CO 0.11 0.00 -1.56 -0.62 -0.34 0.00 0.00 178.44 176.03 2qan n GLU 47 N -2.83 0.59 0.29 1.25 -0.58 0.22 -2.31 120.64 117.27 2qan n GLU 47 Ca 0.02 0.49 0.18 0.00 -0.42 0.00 0.00 57.16 57.43 2qan n GLU 47 Cb 0.33 -1.70 0.93 0.00 -0.57 0.00 0.00 31.44 30.42 2qan n GLU 47 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2qan h THR 48 N -0.89 0.12 0.00 2.62 2.02 -1.49 0.33 112.91 115.61 2qan h THR 48 Ca -0.42 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.47 2qan h THR 48 Cb 1.43 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2qan h THR 48 CO -0.22 0.00 -1.68 -0.11 0.37 0.00 0.00 175.52 173.88 2qan n LEU 49 N -3.18 1.90 0.01 2.58 0.00 -1.10 -3.90 117.00 113.30 2qan n LEU 49 Ca -0.01 0.40 0.22 0.00 0.00 0.00 0.00 56.01 56.63 2qan n LEU 49 Cb 0.30 -0.89 0.73 0.00 0.00 0.00 0.00 43.42 43.56 2qan n LEU 49 CO 0.19 0.30 1.20 0.00 0.00 0.00 0.00 177.39 179.08 2qan h ALA 50 N -0.75 2.35 0.55 1.96 0.00 -0.99 -0.63 119.26 121.74 2qan h ALA 50 Ca -0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2qan h ALA 50 Cb 1.35 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.18 2qan h ALA 50 CO -0.27 -0.78 -0.26 0.37 0.00 0.00 0.00 179.25 178.31 2qan h GLN 51 N 0.00 -0.71 -0.03 0.00 4.15 -1.12 -0.37 115.11 117.04 2qan h GLN 51 Ca 0.26 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.76 2qan h GLN 51 Cb 1.26 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 29.06 2qan h GLN 51 CO -0.00 -0.41 -0.26 0.00 -1.93 0.00 0.00 178.83 176.22 2qan h ARG 52 N -1.09 -0.37 0.00 1.69 3.08 -1.28 0.26 114.38 116.67 2qan h ARG 52 Ca -0.08 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2qan h ARG 52 Cb 0.62 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2qan h ARG 52 CO 0.12 -0.25 0.00 0.66 -1.07 0.00 0.00 179.97 179.43 2qan h SER 53 N -0.39 0.00 0.00 7.04 4.64 -1.33 -3.45 113.55 120.06 2qan h SER 53 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2qan h SER 53 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2qan h SER 53 CO -0.25 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 2qan n GLY 54 N -0.96 1.06 3.82 -0.77 0.00 0.91 -4.93 105.19 104.32 2qan n GLY 54 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2qan n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qan s LYS 55 N 0.00 2.40 0.36 1.61 -2.85 -1.24 -4.87 119.74 115.15 2qan s LYS 55 Ca 0.00 0.67 -0.26 0.00 -1.00 0.00 0.00 55.97 55.37 2qan s LYS 55 Cb 0.00 -1.95 -0.12 0.00 -2.06 0.00 0.00 37.83 33.70 2qan s LYS 55 CO 0.00 -1.41 1.10 0.45 0.10 0.00 0.00 175.35 175.59 2qan n SER 56 N -3.29 1.74 -0.24 0.03 2.88 -1.26 -4.69 113.62 108.77 2qan n SER 56 Ca 0.07 1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.66 2qan n SER 56 Cb 0.56 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.58 2qan n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2qan h GLU 57 N 1.97 -0.05 0.00 -1.46 3.07 -1.87 0.19 114.58 116.44 2qan h GLU 57 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2qan h GLU 57 Cb 1.32 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2qan h GLU 57 CO 0.60 -0.03 0.36 1.37 -1.40 0.00 0.00 179.01 179.91 2qan h LEU 58 N -0.05 0.00 0.00 1.33 -0.00 -1.94 0.53 115.31 115.18 2qan h LEU 58 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2qan h LEU 58 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2qan h LEU 58 CO -0.58 0.00 -0.44 -0.33 -0.00 0.00 0.00 178.44 177.09 2qan h GLU 59 N 0.00 0.00 -0.01 0.17 5.08 -0.97 -2.07 114.58 116.77 2qan h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qan h GLU 59 Cb 0.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2qan h GLU 59 CO 0.00 0.32 0.01 0.00 -1.00 0.00 0.00 179.01 178.34 2qan h ALA 60 N -0.77 1.95 0.06 3.43 0.00 -0.93 0.12 119.26 123.11 2qan h ALA 60 Ca -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qan h ALA 60 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qan h ALA 60 CO -0.04 -0.02 -0.03 0.35 0.00 0.00 0.00 179.25 179.51 2qan h PHE 61 N 0.00 -0.08 0.58 0.00 3.57 -0.11 -2.37 116.94 118.53 2qan h PHE 61 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2qan h PHE 61 Cb 0.03 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2qan h PHE 61 CO 0.00 0.29 -0.31 1.49 -2.23 0.00 0.00 178.31 177.55 2qan h GLU 62 N -0.46 -0.80 -0.67 1.11 4.22 -0.46 -2.44 114.58 115.09 2qan h GLU 62 Ca -0.01 0.05 0.13 0.00 0.08 0.00 0.00 59.36 59.62 2qan h GLU 62 Cb 0.40 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 2qan h GLU 62 CO 0.01 -0.53 -0.19 0.28 -2.18 0.00 0.00 179.01 176.40 2qan h VAL 63 N -0.83 0.30 -0.49 0.32 2.07 -0.90 0.22 116.25 116.94 2qan h VAL 63 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2qan h VAL 63 Cb 0.65 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2qan h VAL 63 CO 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.67 2qan h ALA 64 N 1.59 0.44 -0.49 1.67 0.00 -1.20 -1.75 119.26 119.51 2qan h ALA 64 Ca 0.31 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2qan h ALA 64 Cb 0.50 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2qan h ALA 64 CO -0.70 -0.40 0.15 -0.07 0.00 0.00 0.00 179.25 178.23 2qan h LEU 65 N 0.09 0.71 -1.85 0.00 4.07 -0.35 -3.01 115.31 114.97 2qan h LEU 65 Ca 0.25 -0.21 0.49 0.00 0.08 0.00 0.00 57.88 58.49 2qan h LEU 65 Cb 0.38 -0.19 -0.08 0.00 1.08 0.00 0.00 40.66 41.84 2qan h LEU 65 CO -0.44 0.73 1.16 -0.33 -1.08 0.00 0.00 178.44 178.48 2qan h GLU 66 N 0.66 0.02 0.00 1.13 5.08 0.24 0.95 114.58 122.66 2qan h GLU 66 Ca 0.16 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2qan h GLU 66 Cb 0.27 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2qan h GLU 66 CO -0.01 0.02 -0.33 -0.91 -1.00 0.00 0.00 179.01 176.78 2qan h ASN 67 N 0.02 0.00 0.00 1.42 2.35 -1.51 -3.33 115.58 114.53 2qan h ASN 67 Ca 0.83 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2qan h ASN 67 Cb 3.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.52 2qan h ASN 67 CO -0.11 0.95 0.00 0.52 -1.65 0.00 0.00 177.43 177.13 2qan n VAL 68 N -4.62 1.35 -3.73 2.81 0.31 0.26 -4.71 118.33 110.01 2qan n VAL 68 Ca -0.12 -0.28 -0.38 0.00 -0.01 0.00 0.00 64.34 63.56 2qan n VAL 68 Cb 0.37 -1.25 -0.11 0.00 -0.91 0.00 0.00 33.84 31.94 2qan n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qan s ARG 69 N 0.36 2.28 0.38 5.55 0.52 -0.77 -4.20 118.95 123.07 2qan s ARG 69 Ca 0.00 -1.62 -0.24 0.00 -0.52 0.00 0.00 55.73 53.35 2qan s ARG 69 Cb 0.00 -3.60 -0.10 0.00 0.52 0.00 0.00 34.95 31.77 2qan s ARG 69 CO 0.00 -0.97 0.99 -1.25 0.02 0.00 0.00 175.30 174.09 2qan s PRO 70 N 1.26 4.33 -0.10 3.54 0.04 -1.26 -4.97 135.00 137.84 2qan s PRO 70 Ca 0.04 1.38 0.14 0.00 0.04 0.00 0.00 61.00 62.60 2qan s PRO 70 Cb -0.23 -2.58 -0.20 0.00 0.04 0.00 0.00 34.50 31.53 2qan s PRO 70 CO -0.02 0.03 0.15 -2.37 0.04 0.00 0.00 177.00 174.84 2qan n THR 71 N 0.08 0.66 -3.90 1.26 5.66 -1.26 -4.78 114.28 111.99 2qan n THR 71 Ca 0.04 -0.52 -0.09 0.00 -3.05 0.00 0.00 64.05 60.42 2qan n THR 71 Cb 0.50 -0.36 -0.09 0.00 -1.55 0.00 0.00 70.33 68.84 2qan n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2qan s VAL 72 N -2.59 0.13 0.12 1.08 -7.23 -1.26 0.49 120.40 111.14 2qan s VAL 72 Ca -0.07 -1.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.83 2qan s VAL 72 Cb 0.06 -1.04 0.04 0.00 0.56 0.00 0.00 36.38 36.00 2qan s VAL 72 CO 0.61 -0.61 0.42 -1.83 -0.31 0.00 0.00 175.10 173.37 2qan s GLU 73 N -2.96 1.06 0.21 4.82 -1.05 0.23 -4.55 118.70 116.47 2qan s GLU 73 Ca -0.02 -0.65 -0.23 0.00 -0.15 0.00 0.00 54.97 53.93 2qan s GLU 73 Cb 0.01 0.47 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 2qan s GLU 73 CO -0.06 -0.41 0.77 0.14 0.95 0.00 0.00 175.26 176.64 2qan s VAL 74 N -3.63 4.45 -0.22 1.83 -7.23 -1.26 0.68 120.40 115.02 2qan s VAL 74 Ca 0.02 1.51 0.01 0.00 -1.81 0.00 0.00 61.98 61.71 2qan s VAL 74 Cb 0.01 -3.98 0.05 0.00 0.56 0.00 0.00 36.38 33.02 2qan s VAL 74 CO -0.11 0.32 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.16 2qan s LYS 75 N -1.66 1.96 0.26 4.82 2.36 0.26 -4.89 119.74 122.85 2qan s LYS 75 Ca 0.41 -0.98 -0.28 0.00 -2.55 0.00 0.00 55.97 52.58 2qan s LYS 75 Cb -0.19 -2.55 -0.15 0.00 -1.05 0.00 0.00 37.83 33.88 2qan s LYS 75 CO 0.23 -0.50 0.83 0.45 1.55 0.00 0.00 175.35 177.91 2qan n SER 76 N 4.63 0.37 -3.54 1.43 2.88 -1.26 -3.44 113.62 114.70 2qan n SER 76 Ca -0.14 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.43 2qan n SER 76 Cb 0.45 -1.17 -0.11 0.00 -0.75 0.00 0.00 64.21 62.63 2qan n SER 76 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2qan s ARG 77 N -1.37 0.23 -1.19 -1.46 6.06 -1.11 -4.94 118.95 115.17 2qan s ARG 77 Ca 0.61 0.58 -0.10 0.00 -2.50 0.00 0.00 55.73 54.32 2qan s ARG 77 Cb -0.78 -0.42 0.21 0.00 0.06 0.00 0.00 34.95 34.03 2qan s ARG 77 CO 0.59 -0.47 1.49 0.54 -2.50 0.00 0.00 175.30 174.95 2qan n ARG 78 N 5.35 3.62 -4.01 5.12 5.12 -1.26 -1.30 116.66 129.29 2qan n ARG 78 Ca -0.06 -3.98 -0.33 0.00 -1.93 0.00 0.00 57.85 51.55 2qan n ARG 78 Cb 0.50 -2.84 -0.15 0.00 -1.16 0.00 0.00 32.46 28.81 2qan n ARG 78 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qan s VAL 79 N 0.12 2.51 0.00 1.55 1.01 -1.20 -4.76 120.40 119.63 2qan s VAL 79 Ca 0.38 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2qan s VAL 79 Cb -0.00 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2qan s VAL 79 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2qan n GLY 80 N 4.56 0.76 2.56 4.51 0.00 -1.26 -4.17 105.19 112.14 2qan n GLY 80 Ca -0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 2qan n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qan n GLY 81 N -1.00 -0.50 3.46 -0.02 0.00 -1.26 -4.86 105.19 101.01 2qan n GLY 81 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2qan n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qan s SER 82 N -2.05 -0.73 -1.01 1.61 1.04 -1.26 -5.10 113.70 106.21 2qan s SER 82 Ca 0.03 1.26 -0.23 0.00 0.48 0.00 0.00 55.95 57.48 2qan s SER 82 Cb -0.02 1.45 0.04 0.00 0.10 0.00 0.00 66.02 67.59 2qan s SER 82 CO 0.03 -0.22 1.50 0.42 0.98 0.00 0.00 173.24 175.96 2qan s THR 83 N 2.11 3.87 -0.14 2.02 -4.23 -1.26 -3.26 115.64 114.74 2qan s THR 83 Ca -0.07 -0.73 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 2qan s THR 83 Cb -0.09 -4.95 -0.01 0.00 1.34 0.00 0.00 72.50 68.79 2qan s THR 83 CO -0.16 -1.83 0.91 -0.31 -0.54 0.00 0.00 174.62 172.68 2qan s TYR 84 N 5.52 3.46 -0.58 3.99 4.12 -0.42 -4.83 117.35 128.61 2qan s TYR 84 Ca 0.49 1.40 -0.26 0.00 0.02 0.00 0.00 57.07 58.73 2qan s TYR 84 Cb -0.01 -3.09 0.04 0.00 -1.52 0.00 0.00 41.96 37.38 2qan s TYR 84 CO -0.09 -0.24 1.04 -0.65 0.02 0.00 0.00 175.55 175.64 2qan s GLN 85 N 2.11 3.37 -0.20 -0.62 -1.52 -1.26 -2.77 119.66 118.77 2qan s GLN 85 Ca 0.43 -0.12 -0.05 0.00 -1.95 0.00 0.00 55.36 53.67 2qan s GLN 85 Cb -0.17 -4.05 -0.02 0.00 -0.22 0.00 0.00 33.01 28.54 2qan s GLN 85 CO 0.14 -1.60 -0.01 0.08 -0.25 0.00 0.00 175.29 173.65 2qan s VAL 86 N 4.38 3.84 0.70 1.09 1.01 -1.22 -4.85 120.40 125.34 2qan s VAL 86 Ca 0.34 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2qan s VAL 86 Cb -0.11 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2qan s VAL 86 CO 0.21 0.43 1.07 -2.16 0.00 0.00 0.00 175.10 174.64 2qan s PRO 87 N 1.03 2.95 -0.19 2.72 0.04 -1.24 0.91 135.00 141.21 2qan s PRO 87 Ca 0.02 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 2qan s PRO 87 Cb -0.14 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.48 2qan s PRO 87 CO 0.01 -1.04 0.86 0.54 0.04 0.00 0.00 177.00 177.41 2qan s VAL 88 N -3.17 0.00 0.20 -0.36 0.11 0.22 -4.42 120.40 112.98 2qan s VAL 88 Ca 0.58 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.31 2qan s VAL 88 Cb -0.13 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.62 2qan s VAL 88 CO 0.54 0.00 1.58 -1.61 -3.33 0.00 0.00 175.10 172.28 2qan s GLU 89 N -0.40 4.20 0.06 1.54 8.01 -1.26 -0.60 118.70 130.25 2qan s GLU 89 Ca -0.02 2.42 -0.30 0.00 0.01 0.00 0.00 54.97 57.08 2qan s GLU 89 Cb -0.03 -3.12 -0.05 0.00 -4.31 0.00 0.00 34.13 26.63 2qan s GLU 89 CO 0.01 -0.61 0.99 0.14 0.01 0.00 0.00 175.26 175.81 2qan s VAL 90 N 0.88 4.59 0.98 2.63 -7.23 0.18 -4.89 120.40 117.54 2qan s VAL 90 Ca 0.69 2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 62.74 2qan s VAL 90 Cb -0.45 -4.28 0.12 0.00 0.56 0.00 0.00 36.38 32.33 2qan s VAL 90 CO 0.35 0.23 0.74 0.54 -0.31 0.00 0.00 175.10 176.65 2qan n ARG 91 N 3.31 -0.72 0.21 4.82 3.00 -1.26 -4.76 116.66 121.25 2qan n ARG 91 Ca 0.04 -0.16 -0.15 0.00 -0.01 0.00 0.00 57.85 57.57 2qan n ARG 91 Cb 0.50 -2.09 -0.07 0.00 0.00 0.00 0.00 32.46 30.79 2qan n ARG 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2qan h PRO 92 N -1.87 -0.63 -0.75 5.56 0.13 -1.99 -2.56 132.00 129.88 2qan h PRO 92 Ca -0.46 0.04 0.10 0.00 -0.87 0.00 0.00 66.00 64.81 2qan h PRO 92 Cb 1.29 0.14 -0.08 0.00 0.13 0.00 0.00 31.00 32.49 2qan h PRO 92 CO 0.39 -0.42 0.39 0.28 -0.23 0.00 0.00 178.00 178.40 2qan h VAL 93 N -0.66 0.83 -0.70 1.56 2.07 -2.02 -2.08 116.25 115.26 2qan h VAL 93 Ca -0.02 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2qan h VAL 93 Cb 0.60 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2qan h VAL 93 CO -0.06 0.12 0.46 -0.09 0.02 0.00 0.00 177.57 178.02 2qan h ARG 94 N 0.63 0.91 -0.54 1.57 2.43 -1.89 -2.86 114.38 114.63 2qan h ARG 94 Ca 0.38 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.59 2qan h ARG 94 Cb 0.42 -0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.65 2qan h ARG 94 CO -0.28 0.60 -0.33 -0.09 -1.51 0.00 0.00 179.97 178.36 2qan h ARG 95 N 0.93 -0.18 -0.30 0.20 2.43 -0.95 0.46 114.38 116.98 2qan h ARG 95 Ca 0.26 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2qan h ARG 95 Cb -0.09 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2qan h ARG 95 CO -0.06 -0.12 0.10 -0.91 -1.51 0.00 0.00 179.97 177.47 2qan h ASN 96 N -0.18 0.44 0.18 -3.80 4.21 -1.55 -2.64 115.58 112.24 2qan h ASN 96 Ca 0.22 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 2qan h ASN 96 Cb 0.54 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 2qan h ASN 96 CO -0.64 0.52 -0.25 0.00 -1.29 0.00 0.00 177.43 175.77 2qan h ALA 97 N 0.93 -0.89 -0.69 -0.83 0.00 -1.08 -1.43 119.26 115.28 2qan h ALA 97 Ca 0.10 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2qan h ALA 97 Cb 0.24 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 2qan h ALA 97 CO -0.00 -0.92 -0.21 -0.07 0.00 0.00 0.00 179.25 178.04 2qan h LEU 98 N -0.45 -0.77 -0.10 0.00 3.38 -1.01 0.25 115.31 116.62 2qan h LEU 98 Ca -0.02 0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2qan h LEU 98 Cb 0.41 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2qan h LEU 98 CO -0.07 -0.25 -0.40 0.00 0.09 0.00 0.00 178.44 177.81 2qan h ALA 99 N 1.57 -0.58 -0.53 1.53 0.00 -1.25 0.24 119.26 120.25 2qan h ALA 99 Ca 0.32 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.30 2qan h ALA 99 Cb 0.53 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2qan h ALA 99 CO -0.73 -0.91 0.18 0.52 0.00 0.00 0.00 179.25 178.31 2qan h MET 100 N -0.50 0.34 -0.25 0.00 2.86 -0.10 0.66 114.93 117.95 2qan h MET 100 Ca 0.07 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2qan h MET 100 Cb 0.62 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2qan h MET 100 CO -0.37 0.23 0.11 -0.09 1.06 0.00 0.00 176.91 177.85 2qan h ARG 101 N 0.35 0.23 -0.29 1.72 2.43 -0.16 -2.08 114.38 116.59 2qan h ARG 101 Ca 0.26 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2qan h ARG 101 Cb 0.29 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2qan h ARG 101 CO -0.27 0.15 0.16 -1.49 -1.51 0.00 0.00 179.97 177.02 2qan h TRP 102 N 0.24 0.39 -0.26 2.20 6.55 0.09 -0.86 115.95 124.30 2qan h TRP 102 Ca 0.11 -0.01 0.06 0.00 0.95 0.00 0.00 58.89 60.00 2qan h TRP 102 Cb 0.05 -0.12 -0.07 0.00 -0.86 0.00 0.00 29.16 28.15 2qan h TRP 102 CO -0.11 0.31 -0.19 0.82 -1.05 0.00 0.00 178.44 178.22 2qan h ILE 103 N 0.35 0.47 0.54 1.49 2.04 -0.62 -0.40 117.51 121.39 2qan h ILE 103 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2qan h ILE 103 Cb 0.05 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2qan h ILE 103 CO -0.02 0.00 -0.26 0.58 0.00 0.00 0.00 178.15 178.45 2qan h VAL 104 N -0.18 0.32 -1.10 1.67 2.07 -1.28 0.14 116.25 117.88 2qan h VAL 104 Ca 0.14 -0.38 0.31 0.00 0.82 0.00 0.00 66.70 67.59 2qan h VAL 104 Cb 0.40 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 2qan h VAL 104 CO -0.37 0.04 0.76 -0.08 0.02 0.00 0.00 177.57 177.95 2qan h GLU 105 N -1.01 0.15 0.11 1.57 4.81 -1.03 0.51 114.58 119.70 2qan h GLU 105 Ca -0.07 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 58.82 2qan h GLU 105 Cb 0.63 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2qan h GLU 105 CO 0.12 0.10 -1.73 0.00 -0.73 0.00 0.00 179.01 176.77 2qan h ALA 106 N 1.51 0.38 -0.60 2.92 0.00 -0.99 -3.35 119.26 119.13 2qan h ALA 106 Ca 0.57 -1.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 2qan h ALA 106 Cb 1.92 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 20.16 2qan h ALA 106 CO -0.13 1.25 -0.01 0.00 0.00 0.00 0.00 179.25 180.35 2qan h ALA 107 N 0.39 0.84 -0.72 0.00 0.00 0.17 -2.89 119.26 117.06 2qan h ALA 107 Ca -0.32 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 54.38 2qan h ALA 107 Cb 2.04 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2qan h ALA 107 CO 0.13 0.67 0.47 0.00 0.00 0.00 0.00 179.25 180.52 2qan h ARG 108 N 0.96 0.52 -1.36 0.00 3.08 -0.27 -2.43 114.38 114.88 2qan h ARG 108 Ca 0.17 -0.03 -0.67 0.00 0.07 0.00 0.00 59.98 59.52 2qan h ARG 108 Cb 0.57 -0.12 -0.33 0.00 0.08 0.00 0.00 29.97 30.17 2qan h ARG 108 CO 0.03 0.35 0.37 1.17 -1.07 0.00 0.00 179.97 180.82 2qan n LYS 109 N -4.49 3.00 -0.20 0.04 0.00 -1.09 -4.61 118.16 110.81 2qan n LYS 109 Ca 0.12 -3.73 0.11 0.00 0.00 0.00 0.00 58.31 54.81 2qan n LYS 109 Cb 0.39 -2.28 0.27 0.00 0.00 0.00 0.00 35.03 33.41 2qan n LYS 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qan n ARG 110 N -0.69 2.26 -1.00 1.64 1.74 -0.92 -4.95 116.66 114.75 2qan n ARG 110 Ca 0.53 -1.92 -0.05 0.00 -0.77 0.00 0.00 57.85 55.64 2qan n ARG 110 Cb 0.58 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 2qan n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qan n GLY 111 N 1.38 0.43 0.00 -0.13 0.00 -1.26 -4.95 105.19 100.67 2qan n GLY 111 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2qan n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qan n ASP 112 N -0.43 0.00 -0.08 1.61 9.92 -1.26 -5.03 116.55 121.27 2qan n ASP 112 Ca -0.05 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.13 2qan n ASP 112 Cb 0.45 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.90 2qan n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2qan n LYS 113 N 0.00 0.48 -5.00 -1.24 4.76 -1.26 -5.02 118.16 110.88 2qan n LYS 113 Ca 0.00 0.22 -0.28 0.00 -2.87 0.00 0.00 58.31 55.38 2qan n LYS 113 Cb 0.00 -1.38 -0.15 0.00 -1.84 0.00 0.00 35.03 31.66 2qan n LYS 113 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qan s SER 114 N -5.74 2.67 0.24 4.39 0.01 -1.26 -5.03 113.70 108.97 2qan s SER 114 Ca -0.26 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.47 2qan s SER 114 Cb 0.04 -0.28 0.37 0.00 0.21 0.00 0.00 66.02 66.35 2qan s SER 114 CO 0.38 0.25 1.38 0.80 0.41 0.00 0.00 173.24 176.46 2qan n MET 115 N 2.32 -0.11 -0.11 12.44 0.00 -1.26 -0.74 117.12 129.66 2qan n MET 115 Ca -0.16 1.37 -0.10 0.00 -0.00 0.00 0.00 57.70 58.81 2qan n MET 115 Cb 0.52 -2.05 -0.05 0.00 0.00 0.00 0.00 33.22 31.65 2qan n MET 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qan h ALA 116 N 1.65 -0.46 -0.40 -5.12 0.00 -1.96 0.94 119.26 113.91 2qan h ALA 116 Ca 0.40 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.42 2qan h ALA 116 Cb 0.62 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 2qan h ALA 116 CO -0.90 -0.88 0.09 1.25 0.00 0.00 0.00 179.25 178.81 2qan h LEU 117 N -0.35 0.03 0.12 0.00 6.46 -1.32 -1.18 115.31 119.07 2qan h LEU 117 Ca 0.13 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2qan h LEU 117 Cb 0.59 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 2qan h LEU 117 CO -0.55 0.05 -0.27 0.03 -0.62 0.00 0.00 178.44 177.08 2qan h ARG 118 N 0.22 -0.47 -0.36 1.25 3.08 -0.84 -1.45 114.38 115.82 2qan h ARG 118 Ca 0.19 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.35 2qan h ARG 118 Cb 0.22 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 2qan h ARG 118 CO -0.24 -0.31 -0.23 1.25 -1.07 0.00 0.00 179.97 179.37 2qan h LEU 119 N -0.48 -0.76 -0.43 3.04 5.85 -0.44 -0.64 115.31 121.45 2qan h LEU 119 Ca 0.03 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2qan h LEU 119 Cb 0.51 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 41.85 2qan h LEU 119 CO -0.15 -0.26 -0.08 0.00 -0.34 0.00 0.00 178.44 177.61 2qan h ALA 120 N 1.01 0.31 0.70 1.25 0.00 -0.80 0.24 119.26 121.96 2qan h ALA 120 Ca 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2qan h ALA 120 Cb 0.45 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qan h ALA 120 CO -0.47 -0.44 -0.33 -0.91 0.00 0.00 0.00 179.25 177.10 2qan h ASN 121 N 0.02 -0.79 -0.90 0.00 -0.26 -0.46 -2.44 115.58 110.75 2qan h ASN 121 Ca 0.21 0.01 0.13 0.00 -0.56 0.00 0.00 56.30 56.09 2qan h ASN 121 Cb 0.32 0.21 -0.09 0.00 -1.06 0.00 0.00 38.32 37.69 2qan h ASN 121 CO -0.42 -0.52 0.51 -0.08 -1.06 0.00 0.00 177.43 175.85 2qan h GLU 122 N -1.00 0.75 -0.72 0.81 4.57 -0.94 0.13 114.58 118.17 2qan h GLU 122 Ca -0.10 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2qan h GLU 122 Cb 0.74 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 2qan h GLU 122 CO 0.16 0.49 0.47 -0.07 -1.18 0.00 0.00 179.01 178.88 2qan h LEU 123 N 0.77 0.73 0.27 1.64 3.38 -0.83 -1.22 115.31 120.05 2qan h LEU 123 Ca 0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 2qan h LEU 123 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qan h LEU 123 CO -0.31 0.50 -0.13 0.28 0.09 0.00 0.00 178.44 178.86 2qan h SER 124 N 0.85 -0.31 -1.29 -0.43 0.02 -0.33 -3.16 113.55 108.90 2qan h SER 124 Ca 0.29 0.01 0.42 0.00 -0.84 0.00 0.00 61.79 61.67 2qan h SER 124 Cb 0.10 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 62.59 2qan h SER 124 CO -0.09 -0.03 0.83 0.44 -1.14 0.00 0.00 176.83 176.84 2qan h ASP 125 N -0.74 0.26 -0.28 3.07 5.19 -1.02 0.42 116.42 123.33 2qan h ASP 125 Ca -0.04 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2qan h ASP 125 Cb 0.28 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2qan h ASP 125 CO 0.06 -0.17 0.13 0.00 -3.12 0.00 0.00 179.24 176.14 2qan h ALA 126 N 1.61 0.36 0.00 3.45 0.00 -1.26 0.36 119.26 123.78 2qan h ALA 126 Ca 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2qan h ALA 126 Cb 2.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2qan h ALA 126 CO -0.42 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.76 2qan n ALA 127 N -2.25 1.21 -2.68 0.00 0.00 0.15 -1.90 120.51 115.03 2qan n ALA 127 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2qan n ALA 127 Cb 0.11 -0.80 0.10 0.00 0.00 0.00 0.00 19.45 18.86 2qan n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qan n GLU 128 N -0.87 1.39 -3.94 0.00 0.00 -1.00 -4.79 120.64 111.42 2qan n GLU 128 Ca 0.00 -1.83 -0.36 0.00 0.00 0.00 0.00 57.16 54.97 2qan n GLU 128 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 31.44 31.33 2qan n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qan n ASN 129 N -1.21 -4.23 0.00 -1.84 4.13 -0.80 -4.87 115.26 106.44 2qan n ASN 129 Ca -0.11 -1.13 0.00 0.00 1.68 0.00 0.00 54.58 55.02 2qan n ASN 129 Cb 0.86 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 2qan n ASN 129 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2qan n LYS 130 N -3.89 0.00 -0.19 3.52 0.00 0.12 -5.01 118.16 112.71 2qan n LYS 130 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.08 2qan n LYS 130 Cb 0.60 -0.66 0.02 0.00 0.00 0.00 0.00 35.03 34.99 2qan n LYS 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qan n GLY 131 N 2.81 -1.22 0.11 3.14 0.00 -1.15 -4.95 105.19 103.92 2qan n GLY 131 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2qan n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qan h THR 132 N -1.10 1.45 -0.01 2.61 2.02 -1.94 -3.18 112.91 112.76 2qan h THR 132 Ca -0.04 -2.60 0.03 0.00 0.77 0.00 0.00 66.41 64.56 2qan h THR 132 Cb 0.12 2.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.91 2qan h THR 132 CO 0.03 0.73 -0.44 0.00 0.37 0.00 0.00 175.52 176.21 2qan h ALA 133 N 1.26 -0.71 -0.84 6.16 0.00 -1.92 -0.41 119.26 122.80 2qan h ALA 133 Ca -0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qan h ALA 133 Cb 1.37 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.90 2qan h ALA 133 CO 0.10 -0.98 0.55 -0.39 0.00 0.00 0.00 179.25 178.53 2qan h VAL 134 N -0.59 1.16 -0.39 0.00 -1.51 -1.90 -2.48 116.25 110.54 2qan h VAL 134 Ca 0.04 -0.37 0.08 0.00 -1.23 0.00 0.00 66.70 65.23 2qan h VAL 134 Cb 0.67 -0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.74 2qan h VAL 134 CO -0.33 0.20 -0.18 0.50 -1.23 0.00 0.00 177.57 176.52 2qan h LYS 135 N 1.07 -0.11 -0.20 5.19 3.11 -1.11 -1.90 116.57 122.62 2qan h LYS 135 Ca 0.32 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.22 2qan h LYS 135 Cb -0.02 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.16 2qan h LYS 135 CO -0.09 -0.07 -0.43 -0.22 -2.81 0.00 0.00 179.45 175.83 2qan h LYS 136 N -0.11 -0.44 -0.99 1.90 1.63 -0.73 -0.58 116.57 117.25 2qan h LYS 136 Ca 0.19 0.03 0.21 0.00 -0.85 0.00 0.00 60.65 60.24 2qan h LYS 136 Cb 0.41 0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 32.04 2qan h LYS 136 CO -0.47 -0.29 0.62 -0.09 -3.45 0.00 0.00 179.45 175.77 2qan h ARG 137 N -0.45 0.59 -0.24 1.90 1.12 -1.37 0.25 114.38 116.18 2qan h ARG 137 Ca 0.09 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2qan h ARG 137 Cb 0.62 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2qan h ARG 137 CO -0.45 0.39 0.08 0.93 -3.11 0.00 0.00 179.97 177.81 2qan h GLU 138 N 0.61 0.36 -0.51 0.20 5.08 -0.39 0.50 114.58 120.44 2qan h GLU 138 Ca 0.57 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.76 2qan h GLU 138 Cb 1.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2qan h GLU 138 CO -0.34 0.43 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.61 2qan h ASP 139 N 0.22 0.88 -0.19 1.42 3.32 -0.20 0.86 116.42 122.73 2qan h ASP 139 Ca 0.08 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 2qan h ASP 139 Cb 0.21 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2qan h ASP 139 CO -0.00 0.97 -0.18 0.58 -1.72 0.00 0.00 179.24 178.89 2qan h VAL 140 N 0.82 1.33 -0.13 -1.35 2.07 -0.37 -1.39 116.25 117.24 2qan h VAL 140 Ca 0.14 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 2qan h VAL 140 Cb 0.56 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2qan h VAL 140 CO 0.03 0.40 -0.28 0.45 0.02 0.00 0.00 177.57 178.20 2qan h HIS 141 N 0.13 0.26 0.00 1.57 3.86 0.11 -1.96 115.15 119.11 2qan h HIS 141 Ca 0.03 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 2qan h HIS 141 Cb 0.72 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2qan h HIS 141 CO 0.08 0.50 -0.36 -0.09 0.86 0.00 0.00 177.93 178.92 2qan h ARG 142 N 0.21 0.00 -0.04 2.45 2.43 -0.73 -2.81 114.38 115.89 2qan h ARG 142 Ca 0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2qan h ARG 142 Cb 0.62 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2qan h ARG 142 CO 0.04 0.36 0.02 1.98 -1.51 0.00 0.00 179.97 180.87 2qan h MET 143 N 0.00 0.05 -7.34 0.20 4.05 -0.46 -3.28 114.93 108.14 2qan h MET 143 Ca -0.00 -0.01 -0.43 0.00 -0.28 0.00 0.00 59.70 58.98 2qan h MET 143 Cb 0.99 -0.01 0.18 0.00 -0.80 0.00 0.00 31.60 31.96 2qan h MET 143 CO 0.05 0.08 0.14 0.00 0.23 0.00 0.00 176.91 177.41 2qan s ALA 144 N -5.99 0.59 0.00 0.39 0.00 -1.06 -3.13 121.76 112.55 2qan s ALA 144 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2qan s ALA 144 Cb 0.06 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2qan s ALA 144 CO 0.67 -3.29 0.00 -1.91 0.00 0.00 0.00 175.76 171.22 2qan n GLU 145 N -4.53 0.00 0.00 0.00 4.07 -1.26 -4.10 120.64 114.83 2qan n GLU 145 Ca 0.08 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.27 2qan n GLU 145 Cb 0.58 -0.04 0.50 0.00 -0.06 0.00 0.00 31.44 32.42 2qan n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qan n ALA 146 N 0.00 2.11 -0.89 4.31 0.00 -1.18 -0.66 120.51 124.19 2qan n ALA 146 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2qan n ALA 146 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2qan n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qan n ASN 147 N -1.06 0.19 0.21 0.00 3.02 -1.19 -4.82 115.26 111.61 2qan n ASN 147 Ca 0.12 -1.08 0.17 0.00 -0.03 0.00 0.00 54.58 53.77 2qan n ASN 147 Cb 0.08 0.00 0.75 0.00 -0.61 0.00 0.00 39.78 40.00 2qan n ASN 147 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qan h LYS 148 N 0.00 0.00 -0.42 3.52 3.64 -1.17 0.70 116.57 122.84 2qan h LYS 148 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2qan h LYS 148 Cb 0.79 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 2qan h LYS 148 CO 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 179.45 177.23 2qan h ALA 149 N 1.36 0.43 0.00 5.00 0.00 -1.88 0.63 119.26 124.80 2qan h ALA 149 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qan h ALA 149 Cb 0.95 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qan h ALA 149 CO -0.00 -0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.09 2qan n PHE 150 N -5.14 0.11 0.00 0.00 3.01 0.23 -4.92 117.46 110.75 2qan n PHE 150 Ca 0.03 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2qan n PHE 150 Cb 0.20 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 2qan n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qan n ALA 151 N -1.54 0.00 -0.76 4.37 0.00 0.22 -4.60 120.51 118.20 2qan n ALA 151 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2qan n ALA 151 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2qan n ALA 151 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2qan n HIS 152 N 14.00 0.00 0.00 0.00 1.44 -1.26 -3.71 115.22 125.69 2qan n HIS 152 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2qan n HIS 152 Cb 0.00 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.18 2qan n HIS 152 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01