#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal s LEU 3 N 0.00 2.47 0.10 -3.43 2.96 -1.26 -5.00 118.68 114.52 2qal s LEU 3 Ca 0.00 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 52.70 2qal s LEU 3 Cb 0.00 -1.01 -0.06 0.00 0.50 0.00 0.00 46.19 45.62 2qal s LEU 3 CO 0.00 0.04 1.20 -0.94 -1.32 0.00 0.00 176.35 175.33 2qal s SER 4 N -2.86 7.08 0.28 3.68 1.04 -1.26 -4.91 113.70 116.75 2qal s SER 4 Ca 0.21 2.08 0.01 0.00 0.48 0.00 0.00 55.95 58.73 2qal s SER 4 Cb -0.06 -2.59 0.64 0.00 0.10 0.00 0.00 66.02 64.11 2qal s SER 4 CO 0.09 -0.44 1.71 0.71 0.98 0.00 0.00 173.24 176.29 2qal h THR 5 N 4.28 0.53 0.05 2.02 1.35 -1.99 0.38 112.91 119.53 2qal h THR 5 Ca -0.42 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2qal h THR 5 Cb 1.21 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2qal h THR 5 CO 0.79 0.08 -0.05 -0.08 -0.25 0.00 0.00 175.52 176.01 2qal h GLU 6 N 0.42 -0.09 -0.88 4.72 4.57 -2.00 0.27 114.58 121.59 2qal h GLU 6 Ca 0.51 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.90 2qal h GLU 6 Cb 0.92 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.46 2qal h GLU 6 CO -0.49 -0.06 0.59 0.00 -1.18 0.00 0.00 179.01 177.86 2qal h ALA 7 N -1.72 2.21 0.61 2.92 0.00 -1.85 0.58 119.26 122.01 2qal h ALA 7 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qal h ALA 7 Cb 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qal h ALA 7 CO -0.00 -0.49 -0.30 1.15 0.00 0.00 0.00 179.25 179.61 2qal h THR 8 N 0.40 0.00 -0.69 0.00 2.02 0.12 -0.75 112.91 114.00 2qal h THR 8 Ca 0.46 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.71 2qal h THR 8 Cb 1.14 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 2qal h THR 8 CO -0.16 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.09 2qal h ALA 9 N -1.59 0.94 -0.15 6.16 0.00 -0.41 -1.48 119.26 122.73 2qal h ALA 9 Ca -0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qal h ALA 9 Cb 0.64 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2qal h ALA 9 CO 0.13 0.01 -0.41 -0.22 0.00 0.00 0.00 179.25 178.77 2qal h LYS 10 N 0.65 -0.45 0.00 0.00 1.63 -0.81 0.19 116.57 117.79 2qal h LYS 10 Ca 0.32 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 2qal h LYS 10 Cb 0.27 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2qal h LYS 10 CO -0.22 -0.30 0.00 1.51 -3.45 0.00 0.00 179.45 176.99 2qal n ILE 11 N -5.43 0.85 -0.15 2.00 3.06 -0.30 -2.67 119.36 116.72 2qal n ILE 11 Ca -0.04 0.26 -0.08 0.00 -2.50 0.00 0.00 62.75 60.39 2qal n ILE 11 Cb 0.36 -1.19 0.06 0.00 0.54 0.00 0.00 39.64 39.41 2qal n ILE 11 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 2qal h VAL 12 N 0.00 1.26 0.17 9.51 2.07 0.11 -3.20 116.25 126.17 2qal h VAL 12 Ca 0.00 -1.21 -0.24 0.00 0.82 0.00 0.00 66.70 66.07 2qal h VAL 12 Cb 0.34 0.97 0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2qal h VAL 12 CO 0.00 0.43 -1.08 0.28 0.02 0.00 0.00 177.57 177.21 2qal h SER 13 N 0.84 0.55 0.00 0.57 0.02 -1.36 0.53 113.55 114.70 2qal h SER 13 Ca 0.14 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2qal h SER 13 Cb 0.62 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2qal h SER 13 CO 0.04 1.51 0.16 -0.62 -1.14 0.00 0.00 176.83 176.78 2qal n GLU 14 N -3.99 0.02 0.00 3.45 1.02 -1.16 -2.85 120.64 117.13 2qal n GLU 14 Ca -0.17 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2qal n GLU 14 Cb 0.91 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2qal n GLU 14 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qal n PHE 15 N -1.51 0.00 -1.67 -0.32 3.01 -1.21 -5.10 117.46 110.66 2qal n PHE 15 Ca -0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 2qal n PHE 15 Cb 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.64 2qal n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qal n GLY 16 N 0.19 0.30 0.18 1.37 0.00 0.19 -4.51 105.19 102.90 2qal n GLY 16 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2qal n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qal h ARG 17 N 2.00 0.00 0.00 1.61 2.47 -1.86 -3.44 114.38 115.16 2qal h ARG 17 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2qal h ARG 17 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2qal h ARG 17 CO 0.59 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.72 2qal n ASP 18 N -2.14 0.00 -3.85 7.04 5.68 -1.26 -5.13 116.55 116.88 2qal n ASP 18 Ca -0.01 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.13 2qal n ASP 18 Cb 0.29 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.12 2qal n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qal s ALA 19 N -1.00 0.25 -1.41 2.12 0.00 -1.26 -4.69 121.76 115.76 2qal s ALA 19 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 2qal s ALA 19 Cb 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2qal s ALA 19 CO 0.00 -0.02 1.13 -1.71 0.00 0.00 0.00 175.76 175.16 2qal n ASN 20 N 3.66 -5.88 -2.04 0.00 5.15 -1.26 -4.90 115.26 109.98 2qal n ASN 20 Ca -0.21 -0.61 -0.24 0.00 -0.60 0.00 0.00 54.58 52.91 2qal n ASN 20 Cb 0.54 -4.70 0.02 0.00 -0.53 0.00 0.00 39.78 35.11 2qal n ASN 20 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qal n ASP 21 N -2.97 5.00 -4.53 1.20 5.75 -1.26 -5.04 116.55 114.71 2qal n ASP 21 Ca 0.02 -3.75 -0.42 0.00 -0.01 0.00 0.00 54.79 50.63 2qal n ASP 21 Cb 0.55 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 40.23 2qal n ASP 21 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qal n THR 22 N -0.71 0.10 0.00 2.12 -2.24 -1.26 -3.43 114.28 108.86 2qal n THR 22 Ca 0.44 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2qal n THR 22 Cb 0.95 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2qal n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qal n GLY 23 N 6.14 0.00 3.72 3.38 0.00 -1.26 -5.08 105.19 112.10 2qal n GLY 23 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 2qal n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qal n SER 24 N 0.00 3.28 -0.33 1.61 2.88 -1.22 -4.69 113.62 115.16 2qal n SER 24 Ca 0.00 1.18 0.26 0.00 -1.33 0.00 0.00 58.87 58.98 2qal n SER 24 Cb 0.00 -1.53 0.50 0.00 -0.75 0.00 0.00 64.21 62.43 2qal n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qal h THR 25 N 2.97 0.20 0.00 2.46 2.02 -1.98 0.44 112.91 119.03 2qal h THR 25 Ca -0.47 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2qal h THR 25 Cb 1.26 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2qal h THR 25 CO 0.70 0.04 -0.00 -0.33 0.37 0.00 0.00 175.52 176.30 2qal h GLU 26 N 0.22 -0.01 -0.31 6.66 5.08 -1.91 -2.78 114.58 121.52 2qal h GLU 26 Ca 0.76 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 59.19 2qal h GLU 26 Cb 1.82 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.00 2qal h GLU 26 CO -0.66 0.47 -0.24 0.28 -1.00 0.00 0.00 179.01 177.86 2qal h VAL 27 N -0.49 0.38 0.19 3.13 2.07 -0.48 -1.95 116.25 119.11 2qal h VAL 27 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qal h VAL 27 Cb 0.48 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2qal h VAL 27 CO 0.00 0.00 -0.45 1.56 0.02 0.00 0.00 177.57 178.70 2qal h GLN 28 N -0.21 -0.69 -0.91 1.57 4.20 -0.91 -0.61 115.11 117.56 2qal h GLN 28 Ca 0.16 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.14 2qal h GLN 28 Cb 0.46 0.16 -0.17 0.00 0.30 0.00 0.00 27.48 28.23 2qal h GLN 28 CO -0.44 -0.46 -0.06 0.28 -0.67 0.00 0.00 178.83 177.49 2qal h VAL 29 N -0.71 0.12 0.89 -0.54 2.07 -1.19 0.23 116.25 117.12 2qal h VAL 29 Ca -0.02 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2qal h VAL 29 Cb 0.68 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2qal h VAL 29 CO -0.20 0.01 -0.49 0.00 0.02 0.00 0.00 177.57 176.91 2qal h ALA 30 N 1.89 -1.32 -0.64 1.67 0.00 -0.69 0.24 119.26 120.43 2qal h ALA 30 Ca 0.50 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.32 2qal h ALA 30 Cb 0.92 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2qal h ALA 30 CO -0.87 -1.25 0.50 -0.07 0.00 0.00 0.00 179.25 177.57 2qal h LEU 31 N -1.28 0.00 0.11 0.00 3.38 0.48 -1.82 115.31 116.18 2qal h LEU 31 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2qal h LEU 31 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2qal h LEU 31 CO 0.16 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 178.57 2qal h LEU 32 N 0.00 -0.12 -2.00 1.67 -0.00 -0.07 -3.27 115.31 111.52 2qal h LEU 32 Ca 0.30 -0.43 0.18 0.00 -0.00 0.00 0.00 57.88 57.93 2qal h LEU 32 Cb 1.31 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2qal h LEU 32 CO -0.00 0.50 0.48 0.74 -0.00 0.00 0.00 178.44 180.15 2qal h THR 33 N -0.89 0.61 0.00 0.22 2.02 -0.17 -0.95 112.91 113.75 2qal h THR 33 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2qal h THR 33 Cb 0.54 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2qal h THR 33 CO 0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.91 2qal n ALA 34 N -2.61 -0.19 -0.04 6.16 0.00 -0.81 -0.47 120.51 122.56 2qal n ALA 34 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2qal n ALA 34 Cb 0.72 0.11 0.48 0.00 0.00 0.00 0.00 19.45 20.76 2qal n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qal h GLN 35 N 0.00 0.43 -0.77 0.00 4.20 -1.64 0.21 115.11 117.54 2qal h GLN 35 Ca 0.00 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.75 2qal h GLN 35 Cb 0.00 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.62 2qal h GLN 35 CO 0.00 0.28 0.46 0.82 -0.67 0.00 0.00 178.83 179.72 2qal h ILE 36 N 0.44 0.99 0.17 2.54 1.08 -0.97 0.55 117.51 122.32 2qal h ILE 36 Ca 0.22 -0.28 -0.33 0.00 -0.39 0.00 0.00 64.86 64.07 2qal h ILE 36 Cb 0.30 0.10 0.01 0.00 -3.07 0.00 0.00 36.82 34.15 2qal h ILE 36 CO -0.06 0.15 -1.65 0.78 -0.69 0.00 0.00 178.15 176.69 2qal h ASN 37 N 0.83 0.57 -0.40 1.72 -0.26 0.39 -3.31 115.58 115.12 2qal h ASN 37 Ca 0.34 -0.79 -0.08 0.00 -0.56 0.00 0.00 56.30 55.21 2qal h ASN 37 Cb 0.20 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 2qal h ASN 37 CO -0.18 1.66 -0.03 -0.74 -1.06 0.00 0.00 177.43 177.08 2qal h HIS 38 N 0.10 0.86 -0.74 1.19 2.76 -0.38 -2.97 115.15 115.96 2qal h HIS 38 Ca -0.30 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 57.69 2qal h HIS 38 Cb 2.08 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 30.78 2qal h HIS 38 CO 0.09 0.81 0.28 -0.07 -1.30 0.00 0.00 177.93 177.74 2qal h LEU 39 N 0.74 1.03 -0.84 0.26 4.07 -0.03 -2.70 115.31 117.84 2qal h LEU 39 Ca 0.14 -0.16 0.20 0.00 0.08 0.00 0.00 57.88 58.14 2qal h LEU 39 Cb 0.49 -0.27 -0.12 0.00 1.08 0.00 0.00 40.66 41.84 2qal h LEU 39 CO 0.02 0.92 0.30 1.56 -1.08 0.00 0.00 178.44 180.16 2qal h GLN 40 N 1.08 0.32 -0.85 1.13 4.20 -1.60 0.82 115.11 120.21 2qal h GLN 40 Ca 0.25 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.01 2qal h GLN 40 Cb 0.22 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 2qal h GLN 40 CO -0.02 0.21 0.51 0.78 -0.67 0.00 0.00 178.83 179.65 2qal h GLY 41 N 0.33 1.30 1.37 3.46 0.00 -1.57 1.00 103.07 108.96 2qal h GLY 41 Ca 0.51 -0.36 -0.21 0.00 0.00 0.00 0.00 47.33 47.27 2qal h GLY 41 CO -0.54 0.21 -0.78 0.84 0.00 0.00 0.00 176.54 176.27 2qal h HIS 42 N 0.91 0.83 0.00 5.60 -0.00 0.03 -3.24 115.15 119.28 2qal h HIS 42 Ca 0.39 -0.38 -0.13 0.00 -0.00 0.00 0.00 60.37 60.25 2qal h HIS 42 Cb 0.25 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 2qal h HIS 42 CO -0.04 1.18 -0.60 0.74 -0.00 0.00 0.00 177.93 179.21 2qal h PHE 43 N 0.41 0.00 -0.69 5.26 -1.00 0.12 -2.82 116.94 118.22 2qal h PHE 43 Ca -0.05 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.86 2qal h PHE 43 Cb 1.39 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.91 2qal h PHE 43 CO 0.07 0.60 0.46 0.00 -1.61 0.00 0.00 178.31 177.83 2qal h ALA 44 N 1.40 2.09 -1.63 2.45 0.00 0.98 -3.19 119.26 121.36 2qal h ALA 44 Ca -0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.47 2qal h ALA 44 Cb 1.21 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.96 2qal h ALA 44 CO 0.08 -0.26 -0.20 -2.00 0.00 0.00 0.00 179.25 176.87 2qal s GLU 45 N -5.39 2.80 0.00 0.00 2.12 -1.06 -4.61 118.70 112.56 2qal s GLU 45 Ca -0.08 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.21 2qal s GLU 45 Cb 0.20 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.91 2qal s GLU 45 CO 0.76 -0.35 0.00 0.72 -0.54 0.00 0.00 175.26 175.85 2qal n HIS 46 N -1.97 0.00 0.00 5.30 8.25 -1.26 -4.75 115.22 120.79 2qal n HIS 46 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2qal n HIS 46 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 2qal n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qal n LYS 47 N 0.00 0.00 -0.00 -0.41 5.02 -1.21 -4.48 118.16 117.09 2qal n LYS 47 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2qal n LYS 47 Cb 0.00 -0.20 0.18 0.00 -0.02 0.00 0.00 35.03 34.99 2qal n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qal n LYS 48 N 0.00 1.02 -1.62 1.97 5.02 -1.26 -4.35 118.16 118.94 2qal n LYS 48 Ca 0.00 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 2qal n LYS 48 Cb 0.00 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 2qal n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qal n ASP 49 N -0.57 7.83 -0.15 4.39 2.03 -1.26 -4.71 116.55 124.12 2qal n ASP 49 Ca 0.05 -2.80 -0.04 0.00 0.52 0.00 0.00 54.79 52.51 2qal n ASP 49 Cb 0.03 -1.51 0.05 0.00 -0.72 0.00 0.00 41.12 38.97 2qal n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2qal h HIS 50 N 5.03 0.34 -0.92 -0.67 3.86 -1.99 -2.43 115.15 118.38 2qal h HIS 50 Ca 0.77 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 60.16 2qal h HIS 50 Cb 0.35 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 28.66 2qal h HIS 50 CO 1.72 0.14 0.59 0.45 0.86 0.00 0.00 177.93 181.69 2qal h HIS 51 N 0.38 0.82 0.00 2.45 3.86 -1.98 0.29 115.15 120.97 2qal h HIS 51 Ca 0.21 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 2qal h HIS 51 Cb 0.18 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2qal h HIS 51 CO -0.14 0.27 -0.37 0.77 0.86 0.00 0.00 177.93 179.32 2qal h SER 52 N 0.66 0.00 -0.62 2.45 0.02 -1.86 -3.13 113.55 111.07 2qal h SER 52 Ca 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 2qal h SER 52 Cb 0.82 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2qal h SER 52 CO -0.23 0.37 0.32 -0.09 -1.14 0.00 0.00 176.83 176.06 2qal h ARG 53 N 0.00 0.88 -0.83 3.45 9.65 0.03 -2.50 114.38 125.07 2qal h ARG 53 Ca -0.00 -0.12 0.20 0.00 -1.10 0.00 0.00 59.98 58.96 2qal h ARG 53 Cb 1.15 -0.17 -0.15 0.00 -1.39 0.00 0.00 29.97 29.42 2qal h ARG 53 CO 0.05 0.69 0.02 0.00 2.80 0.00 0.00 179.97 183.53 2qal h ARG 54 N 0.85 0.09 0.11 0.20 2.47 -1.36 0.31 114.38 117.05 2qal h ARG 54 Ca 0.22 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2qal h ARG 54 Cb 0.08 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2qal h ARG 54 CO -0.03 0.06 -0.05 0.78 0.56 0.00 0.00 179.97 181.29 2qal h GLY 55 N 0.09 -0.15 0.02 0.04 0.00 -1.60 -1.52 103.07 99.96 2qal h GLY 55 Ca 0.47 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.93 2qal h GLY 55 CO -0.73 -0.05 -0.21 -2.00 0.00 0.00 0.00 176.54 173.54 2qal h LEU 56 N -0.26 -0.72 -1.09 3.11 5.85 -0.40 -1.31 115.31 120.49 2qal h LEU 56 Ca -0.01 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2qal h LEU 56 Cb 0.21 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 2qal h LEU 56 CO 0.02 -0.24 0.61 -0.07 -0.34 0.00 0.00 178.44 178.42 2qal h LEU 57 N -0.15 1.06 0.39 2.25 4.07 -0.46 -1.58 115.31 120.90 2qal h LEU 57 Ca 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2qal h LEU 57 Cb 0.44 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2qal h LEU 57 CO -0.47 0.77 -0.23 -0.09 -1.08 0.00 0.00 178.44 177.34 2qal h ARG 58 N 1.26 -0.57 -0.44 1.13 2.43 -0.18 -0.04 114.38 117.95 2qal h ARG 58 Ca 0.34 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.59 2qal h ARG 58 Cb -0.14 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2qal h ARG 58 CO -0.07 -0.38 0.30 0.00 -1.51 0.00 0.00 179.97 178.30 2qal h MET 59 N -0.59 0.42 0.93 0.20 -0.00 -1.23 0.36 114.93 115.02 2qal h MET 59 Ca -0.04 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.58 2qal h MET 59 Cb 0.48 -0.10 0.01 0.00 -0.00 0.00 0.00 31.60 31.99 2qal h MET 59 CO 0.05 0.28 -0.45 0.28 -0.00 0.00 0.00 176.91 177.08 2qal h VAL 60 N 0.44 0.02 -0.93 -0.10 2.07 -0.54 0.11 116.25 117.32 2qal h VAL 60 Ca 0.18 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2qal h VAL 60 Cb 0.19 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 2qal h VAL 60 CO -0.05 0.00 0.60 0.77 0.02 0.00 0.00 177.57 178.91 2qal h SER 61 N -1.32 1.09 -0.92 0.57 4.64 -0.62 -2.00 113.55 114.99 2qal h SER 61 Ca -0.13 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2qal h SER 61 Cb 0.96 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 2qal h SER 61 CO 0.21 0.81 0.59 -0.61 -0.87 0.00 0.00 176.83 176.96 2qal h GLN 62 N 1.27 1.11 -0.22 4.77 4.15 -0.19 -0.91 115.11 125.09 2qal h GLN 62 Ca 0.34 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.69 2qal h GLN 62 Cb -0.11 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.32 2qal h GLN 62 CO -0.07 0.74 0.14 -0.09 -1.93 0.00 0.00 178.83 177.62 2qal h ARG 63 N 1.14 0.30 -0.74 1.69 2.43 -0.25 -0.74 114.38 118.22 2qal h ARG 63 Ca 0.37 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 2qal h ARG 63 Cb 0.02 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 2qal h ARG 63 CO -0.12 0.22 0.43 -0.09 -1.51 0.00 0.00 179.97 178.89 2qal h ARG 64 N 0.29 0.76 0.00 0.20 9.65 -0.90 0.95 114.38 125.32 2qal h ARG 64 Ca 0.08 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2qal h ARG 64 Cb -0.01 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 2qal h ARG 64 CO -0.02 0.50 -0.13 0.87 2.80 0.00 0.00 179.97 184.00 2qal h LYS 65 N 0.78 0.00 0.01 0.20 1.57 -0.70 0.25 116.57 118.69 2qal h LYS 65 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2qal h LYS 65 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2qal h LYS 65 CO -0.18 0.13 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.75 2qal h LEU 66 N 0.00 -0.01 0.17 2.94 -0.00 0.58 -3.08 115.31 115.91 2qal h LEU 66 Ca -0.00 -0.81 -0.01 0.00 -0.00 0.00 0.00 57.88 57.06 2qal h LEU 66 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2qal h LEU 66 CO 0.02 0.86 -0.08 -0.07 -0.00 0.00 0.00 178.44 179.17 2qal h LEU 67 N -0.94 -0.19 -0.93 1.67 3.38 -0.79 -0.70 115.31 116.81 2qal h LEU 67 Ca -0.00 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.22 2qal h LEU 67 Cb 0.82 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 2qal h LEU 67 CO 0.00 -0.14 0.43 0.44 0.09 0.00 0.00 178.44 179.27 2qal h ASP 68 N -0.22 0.37 0.33 -0.43 5.19 -1.09 0.25 116.42 120.82 2qal h ASP 68 Ca -0.02 0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2qal h ASP 68 Cb 0.17 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2qal h ASP 68 CO 0.04 -0.03 -0.16 0.22 -3.12 0.00 0.00 179.24 176.18 2qal h TYR 69 N 0.39 -0.42 -0.48 4.55 3.20 -1.31 -2.79 116.97 120.10 2qal h TYR 69 Ca 0.60 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.56 2qal h TYR 69 Cb 1.21 0.14 -0.10 0.00 1.54 0.00 0.00 36.73 39.51 2qal h TYR 69 CO -0.11 -0.10 -0.31 1.25 -1.64 0.00 0.00 178.16 177.25 2qal h LEU 70 N -0.75 -1.06 -1.62 2.82 7.12 0.43 0.33 115.31 122.59 2qal h LEU 70 Ca -0.05 0.20 0.14 0.00 0.13 0.00 0.00 57.88 58.31 2qal h LEU 70 Cb 0.50 0.52 -0.05 0.00 -0.53 0.00 0.00 40.66 41.11 2qal h LEU 70 CO 0.08 -0.30 0.48 0.50 -0.13 0.00 0.00 178.44 179.06 2qal h LYS 71 N -0.20 0.37 -0.00 1.25 3.11 -1.06 0.41 116.57 120.45 2qal h LYS 71 Ca 0.20 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.86 2qal h LYS 71 Cb 0.53 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 2qal h LYS 71 CO -0.59 0.25 -0.78 0.00 -2.81 0.00 0.00 179.45 175.51 2qal h ARG 72 N 0.38 0.04 -0.01 1.90 3.08 -0.14 -3.11 114.38 116.52 2qal h ARG 72 Ca 0.35 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2qal h ARG 72 Cb 0.82 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2qal h ARG 72 CO -0.10 0.80 -0.47 1.63 -1.07 0.00 0.00 179.97 180.75 2qal n LYS 73 N -3.65 1.15 0.00 0.04 4.76 -0.17 -4.84 118.16 115.45 2qal n LYS 73 Ca -0.01 -0.93 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 2qal n LYS 73 Cb 0.75 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 2qal n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qal n ASP 74 N -0.11 0.00 0.30 4.39 -0.08 0.13 -5.01 116.55 116.16 2qal n ASP 74 Ca 0.09 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.53 2qal n ASP 74 Cb 0.46 0.00 0.86 0.00 2.34 0.00 0.00 41.12 44.77 2qal n ASP 74 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2qal h VAL 75 N 0.00 0.00 0.00 5.18 2.07 -1.71 -3.03 116.25 118.77 2qal h VAL 75 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qal h VAL 75 Cb 0.00 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2qal h VAL 75 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2qal n ALA 76 N -1.89 -0.31 -0.32 1.67 0.00 -1.26 -2.51 120.51 115.89 2qal n ALA 76 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.62 2qal n ALA 76 Cb 0.24 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.15 2qal n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qal h ARG 77 N 0.00 0.47 0.49 0.00 3.08 -1.90 -1.46 114.38 115.06 2qal h ARG 77 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2qal h ARG 77 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2qal h ARG 77 CO 0.00 0.31 -0.28 -0.92 -1.07 0.00 0.00 179.97 178.02 2qal h TYR 78 N 0.49 -0.72 -0.15 3.04 3.20 -1.62 0.68 116.97 121.89 2qal h TYR 78 Ca 0.58 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.42 2qal h TYR 78 Cb 1.31 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 2qal h TYR 78 CO -0.00 -0.43 -0.01 1.79 -1.64 0.00 0.00 178.16 177.87 2qal h THR 79 N -0.72 1.10 0.20 1.81 1.35 -1.01 -2.37 112.91 113.27 2qal h THR 79 Ca -0.06 -0.40 -0.32 0.00 -0.55 0.00 0.00 66.41 65.08 2qal h THR 79 Cb 0.57 1.00 0.02 0.00 -1.73 0.00 0.00 68.15 68.02 2qal h THR 79 CO 0.08 0.13 -1.46 1.56 -0.25 0.00 0.00 175.52 175.58 2qal h GLN 80 N 0.21 0.42 -0.27 4.72 4.20 -1.02 -3.34 115.11 120.03 2qal h GLN 80 Ca 0.05 -0.71 -0.01 0.00 0.06 0.00 0.00 58.65 58.04 2qal h GLN 80 Cb 0.16 0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2qal h GLN 80 CO 0.00 1.33 0.14 1.25 -0.67 0.00 0.00 178.83 180.89 2qal h LEU 81 N 0.11 0.34 -0.88 1.46 6.46 0.64 -2.89 115.31 120.56 2qal h LEU 81 Ca -0.23 -0.10 0.17 0.00 -0.12 0.00 0.00 57.88 57.60 2qal h LEU 81 Cb 2.09 -0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 41.83 2qal h LEU 81 CO 0.23 0.34 0.45 0.40 -0.62 0.00 0.00 178.44 179.24 2qal h ILE 82 N 0.32 0.67 0.54 4.05 2.04 -1.57 -2.75 117.51 120.81 2qal h ILE 82 Ca 0.09 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2qal h ILE 82 Cb 0.08 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 2qal h ILE 82 CO -0.01 0.11 -0.42 -0.08 0.00 0.00 0.00 178.15 177.75 2qal h GLU 83 N 0.59 -0.90 0.00 2.37 4.57 -1.63 1.21 114.58 120.79 2qal h GLU 83 Ca 0.50 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 2qal h GLU 83 Cb 0.78 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2qal h GLU 83 CO -0.40 -0.60 0.08 0.54 -1.18 0.00 0.00 179.01 177.45 2qal n ARG 84 N -5.53 0.09 0.00 1.92 1.74 -1.05 -0.83 116.66 113.01 2qal n ARG 84 Ca -0.12 0.57 0.01 0.00 -0.77 0.00 0.00 57.85 57.54 2qal n ARG 84 Cb 0.42 -1.89 -0.00 0.00 -1.02 0.00 0.00 32.46 29.97 2qal n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qal n LEU 85 N -2.00 0.64 -2.10 0.55 4.32 -0.82 -5.00 117.00 112.58 2qal n LEU 85 Ca -0.01 -0.76 -0.16 0.00 -0.02 0.00 0.00 56.01 55.06 2qal n LEU 85 Cb 0.10 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2qal n LEU 85 CO 0.06 0.15 -0.19 0.61 -1.22 0.00 0.00 177.39 176.81 2qal n GLY 86 N 0.54 0.18 0.00 -0.72 0.00 0.41 -4.96 105.19 100.64 2qal n GLY 86 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qal n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qal n LEU 87 N -2.61 0.00 -3.69 0.99 4.77 -0.69 -4.61 117.00 111.16 2qal n LEU 87 Ca -0.18 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.55 2qal n LEU 87 Cb 0.60 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 2qal n LEU 87 CO 0.23 -0.43 -0.09 -1.14 -1.33 0.00 0.00 177.39 174.63 2qal n ARG 88 N -0.69 -3.22 -0.67 3.23 3.00 -1.26 -4.89 116.66 112.16 2qal n ARG 88 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 2qal n ARG 88 Cb 0.00 -4.80 0.00 0.00 0.00 0.00 0.00 32.46 27.66 2qal n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17