#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyl s LYS 2 N 0.00 -0.74 0.05 1.57 -0.14 -1.26 -4.18 119.74 115.04 1cyl s LYS 2 Ca 0.00 0.73 0.02 0.00 -1.36 0.00 0.00 55.97 55.36 1cyl s LYS 2 Cb 0.00 -1.58 -0.04 0.00 -1.68 0.00 0.00 37.83 34.53 1cyl s LYS 2 CO 0.00 -3.57 0.06 0.00 -0.76 0.00 0.00 175.35 171.08 1cyl s ASP 4 N -2.11 2.50 0.32 0.00 1.11 -1.26 -5.03 116.67 112.20 1cyl s ASP 4 Ca 0.26 -1.15 0.13 0.00 0.18 0.00 0.00 52.55 51.97 1cyl s ASP 4 Cb -0.12 -0.12 0.53 0.00 1.07 0.00 0.00 42.92 44.28 1cyl s ASP 4 CO 0.18 -0.34 1.69 0.40 1.18 0.00 0.00 175.17 178.28 1cyl h ILE 5 N 2.40 1.26 -0.48 0.77 1.08 -2.00 -3.25 117.51 117.28 1cyl h ILE 5 Ca -0.39 -1.77 0.10 0.00 -0.39 0.00 0.00 64.86 62.40 1cyl h ILE 5 Cb 1.23 1.98 -0.09 0.00 -3.07 0.00 0.00 36.82 36.86 1cyl h ILE 5 CO 0.65 0.49 -0.16 0.74 -0.69 0.00 0.00 178.15 179.19 1cyl h THR 6 N 0.00 0.45 0.02 -0.27 2.02 -1.99 -1.40 112.91 111.74 1cyl h THR 6 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1cyl h THR 6 Cb 0.94 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1cyl h THR 6 CO 0.07 0.00 -0.01 0.17 0.37 0.00 0.00 175.52 176.11 1cyl h LEU 7 N -0.05 -0.03 -1.25 2.58 -0.00 -2.00 -1.44 115.31 113.14 1cyl h LEU 7 Ca 0.23 -0.45 0.27 0.00 -0.00 0.00 0.00 57.88 57.94 1cyl h LEU 7 Cb 0.40 0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 40.96 1cyl h LEU 7 CO -0.52 0.44 0.66 1.56 -0.00 0.00 0.00 178.44 180.58 1cyl h GLN 8 N -0.50 0.41 -0.14 0.17 4.20 -1.54 0.21 115.11 117.93 1cyl h GLN 8 Ca -0.00 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1cyl h GLN 8 Cb 0.47 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1cyl h GLN 8 CO 0.00 0.27 -0.27 0.93 -0.67 0.00 0.00 178.83 179.10 1cyl h GLU 9 N 0.43 0.42 -0.32 1.46 5.08 -1.11 -3.29 114.58 117.25 1cyl h GLU 9 Ca 0.63 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 1cyl h GLU 9 Cb 1.50 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.73 1cyl h GLU 9 CO -0.37 0.87 -0.09 0.82 -1.00 0.00 0.00 179.01 179.24 1cyl h ILE 10 N 0.02 0.65 -1.04 3.13 2.04 0.52 0.31 117.51 123.15 1cyl h ILE 10 Ca 0.00 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.17 1cyl h ILE 10 Cb 0.86 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1cyl h ILE 10 CO 0.06 0.00 0.76 0.40 0.00 0.00 0.00 178.15 179.37 1cyl h ILE 11 N -0.02 0.45 -0.28 -0.67 2.04 -1.45 0.45 117.51 118.03 1cyl h ILE 11 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1cyl h ILE 11 Cb 0.26 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1cyl h ILE 11 CO -0.34 0.00 0.10 0.50 0.00 0.00 0.00 178.15 178.41 1cyl h LYS 12 N 0.00 0.42 0.01 2.37 3.11 -1.04 -0.21 116.57 121.23 1cyl h LYS 12 Ca 0.49 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 58.25 1cyl h LYS 12 Cb 2.02 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 33.18 1cyl h LYS 12 CO -0.01 0.46 -0.00 1.15 -2.81 0.00 0.00 179.45 178.24 1cyl h THR 13 N 0.29 1.39 -0.20 1.00 2.02 -0.15 -2.54 112.91 114.73 1cyl h THR 13 Ca 0.09 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.11 1cyl h THR 13 Cb 0.21 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1cyl h THR 13 CO -0.01 0.31 0.15 0.25 0.37 0.00 0.00 175.52 176.59 1cyl h LEU 14 N -0.54 0.00 -0.03 2.58 6.46 -1.17 -1.92 115.31 120.70 1cyl h LEU 14 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1cyl h LEU 14 Cb 0.52 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1cyl h LEU 14 CO 0.00 0.00 -0.04 0.78 -0.62 0.00 0.00 178.44 178.56 1cyl h ASN 15 N 0.00 0.09 -0.53 1.25 4.21 -0.91 -3.24 115.58 116.44 1cyl h ASN 15 Ca 0.09 -0.53 0.08 0.00 1.21 0.00 0.00 56.30 57.16 1cyl h ASN 15 Cb 0.39 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.49 1cyl h ASN 15 CO -0.00 0.60 0.17 0.77 -1.29 0.00 0.00 177.43 177.68 1cyl h SER 16 N -0.42 0.14 -0.99 5.81 4.64 -0.92 0.18 113.55 122.00 1cyl h SER 16 Ca 0.00 0.07 0.27 0.00 -0.47 0.00 0.00 61.79 61.67 1cyl h SER 16 Cb 0.58 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 1cyl h SER 16 CO 0.01 0.10 0.69 -0.07 -0.87 0.00 0.00 176.83 176.69 1cyl h LEU 17 N 0.34 0.13 -0.68 5.97 3.38 -1.51 0.23 115.31 123.17 1cyl h LEU 17 Ca 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1cyl h LEU 17 Cb 0.32 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1cyl h LEU 17 CO -0.29 0.04 0.41 0.74 0.09 0.00 0.00 178.44 179.44 1cyl h THR 18 N 0.13 1.20 -0.41 0.22 2.02 -0.98 -0.08 112.91 114.99 1cyl h THR 18 Ca 0.49 -0.43 0.12 0.00 0.77 0.00 0.00 66.41 67.36 1cyl h THR 18 Cb 1.73 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1cyl h THR 18 CO -0.08 0.20 0.30 -0.08 0.37 0.00 0.00 175.52 176.24 1cyl h GLU 19 N 0.93 0.00 -4.29 6.66 4.57 -0.55 -3.27 114.58 118.63 1cyl h GLU 19 Ca 0.25 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.71 1cyl h GLU 19 Cb -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 28.75 28.24 1cyl h GLU 19 CO -0.05 0.00 -0.44 -0.65 -1.18 0.00 0.00 179.01 176.69 1cyl s GLN 20 N -4.99 2.31 -0.44 1.92 -0.21 -0.04 -4.93 119.66 113.27 1cyl s GLN 20 Ca -0.05 -1.89 0.07 0.00 0.02 0.00 0.00 55.36 53.52 1cyl s GLN 20 Cb 0.19 -3.77 0.28 0.00 1.00 0.00 0.00 33.01 30.70 1cyl s GLN 20 CO 0.70 -1.14 0.84 0.36 -2.12 0.00 0.00 175.29 173.93 1cyl n LYS 21 N 4.61 0.85 0.00 2.91 -0.00 -1.24 -4.66 118.16 120.63 1cyl n LYS 21 Ca -0.03 -2.38 0.00 0.00 -0.00 0.00 0.00 58.31 55.90 1cyl n LYS 21 Cb 0.41 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1cyl n THR 22 N 1.07 0.00 0.00 0.58 5.66 -1.26 -4.44 114.28 115.89 1cyl n THR 22 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1cyl n THR 22 Cb 0.63 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1cyl n THR 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1cyl n LEU 23 N -1.78 1.80 -0.06 1.09 4.32 -1.26 -4.51 117.00 116.60 1cyl n LEU 23 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 1cyl n LEU 23 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1cyl n LEU 23 CO 0.00 0.00 0.75 0.00 -1.22 0.00 0.00 177.39 176.92 1cyl n THR 25 N -5.32 0.00 -1.57 0.00 -2.24 -1.26 -4.19 114.28 99.70 1cyl n THR 25 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1cyl n THR 25 Cb 0.24 -1.79 -0.05 0.00 -2.10 0.00 0.00 70.33 66.62 1cyl n THR 25 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1cyl n GLU 26 N -0.28 -1.43 -3.54 -0.78 0.00 -1.26 -4.07 120.64 109.28 1cyl n GLU 26 Ca 0.00 0.83 -0.33 0.00 0.00 0.00 0.00 57.16 57.67 1cyl n GLU 26 Cb 0.00 -5.15 -0.05 0.00 0.00 0.00 0.00 31.44 26.24 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1cyl s LEU 27 N -4.18 4.26 -0.08 4.31 1.43 -1.26 -3.96 118.68 119.19 1cyl s LEU 27 Ca 0.00 0.79 -0.35 0.00 -1.03 0.00 0.00 54.13 53.53 1cyl s LEU 27 Cb 0.00 -3.36 -0.13 0.00 0.03 0.00 0.00 46.19 42.73 1cyl s LEU 27 CO 0.00 0.04 1.78 0.35 0.23 0.00 0.00 176.35 178.75 1cyl n THR 28 N 0.25 0.41 -4.22 5.49 -2.24 -1.26 0.24 114.28 112.96 1cyl n THR 28 Ca -0.03 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 1cyl n THR 28 Cb 0.52 -1.64 -0.12 0.00 -2.10 0.00 0.00 70.33 67.00 1cyl n THR 28 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1cyl s VAL 29 N 3.30 1.29 -0.08 2.28 -7.23 -0.89 -4.83 120.40 114.24 1cyl s VAL 29 Ca 0.91 -1.49 -0.35 0.00 -1.81 0.00 0.00 61.98 59.24 1cyl s VAL 29 Cb -0.78 -1.32 -0.12 0.00 0.56 0.00 0.00 36.38 34.72 1cyl s VAL 29 CO 0.52 -0.27 1.83 0.41 -0.31 0.00 0.00 175.10 177.28 1cyl n THR 30 N 0.98 0.49 -2.24 5.32 -1.04 -1.26 -3.41 114.28 113.10 1cyl n THR 30 Ca -0.19 -0.09 -0.36 0.00 -2.04 0.00 0.00 64.05 61.38 1cyl n THR 30 Cb 0.55 -1.76 -0.04 0.00 -1.82 0.00 0.00 70.33 67.27 1cyl n THR 30 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1cyl s ASP 31 N 3.65 5.64 -0.14 8.00 -4.77 -1.26 -4.82 116.67 122.98 1cyl s ASP 31 Ca 0.92 -0.51 -0.00 0.00 -3.30 0.00 0.00 52.55 49.66 1cyl s ASP 31 Cb -0.74 -2.55 0.12 0.00 -1.09 0.00 0.00 42.92 38.66 1cyl s ASP 31 CO 0.52 -2.22 1.78 2.30 0.70 0.00 0.00 175.17 178.25 1cyl n ILE 32 N 7.21 2.13 -2.60 2.11 -5.35 -1.26 -4.01 119.36 117.60 1cyl n ILE 32 Ca 0.26 -0.89 -0.01 0.00 -0.27 0.00 0.00 62.75 61.85 1cyl n ILE 32 Cb 0.50 -1.27 0.05 0.00 -1.74 0.00 0.00 39.64 37.17 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1cyl n PHE 33 N 0.71 0.92 -3.10 4.28 3.72 -1.26 -4.83 117.46 117.91 1cyl n PHE 33 Ca 0.14 -1.59 -0.16 0.00 -0.05 0.00 0.00 57.45 55.79 1cyl n PHE 33 Cb 0.60 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.92 1cyl n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cyl n ALA 34 N -0.29 1.44 0.00 4.37 0.00 -1.26 -4.88 120.51 119.90 1cyl n ALA 34 Ca 0.11 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1cyl n ALA 34 Cb 0.92 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1cyl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyl n ALA 35 N 0.37 0.00 -3.31 0.00 0.00 -1.26 -4.97 120.51 111.34 1cyl n ALA 35 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 1cyl n ALA 35 Cb 0.66 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.19 1cyl n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cyl n SER 36 N 0.00 -3.41 0.00 0.00 7.64 -1.26 -4.85 113.62 111.74 1cyl n SER 36 Ca 0.00 -0.51 0.11 0.00 1.01 0.00 0.00 58.87 59.48 1cyl n SER 36 Cb 0.00 -4.47 0.63 0.00 -1.01 0.00 0.00 64.21 59.36 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1cyl n LYS 37 N -3.96 0.82 -0.04 1.43 0.00 -1.26 -3.02 118.16 112.12 1cyl n LYS 37 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.18 1cyl n LYS 37 Cb 0.61 -1.41 0.12 0.00 0.00 0.00 0.00 35.03 34.35 1cyl n LYS 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1cyl n ASN 38 N -0.91 0.51 -4.23 3.14 3.02 -1.26 -4.86 115.26 110.67 1cyl n ASN 38 Ca 0.16 -1.92 -0.29 0.00 -0.03 0.00 0.00 54.58 52.49 1cyl n ASN 38 Cb 0.07 -0.06 0.20 0.00 -0.61 0.00 0.00 39.78 39.38 1cyl n ASN 38 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1cyl s THR 39 N -1.88 1.83 0.48 3.41 -1.32 -1.17 -4.94 115.64 112.06 1cyl s THR 39 Ca 0.10 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.37 1cyl s THR 39 Cb 0.05 -2.66 -0.10 0.00 -1.51 0.00 0.00 72.50 68.28 1cyl s THR 39 CO 0.07 0.00 0.78 0.35 -2.21 0.00 0.00 174.62 173.61 1cyl n THR 40 N -4.24 2.45 -0.27 5.08 -2.24 -1.26 -4.76 114.28 109.04 1cyl n THR 40 Ca 0.11 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 1cyl n THR 40 Cb 0.59 -0.89 0.08 0.00 -2.10 0.00 0.00 70.33 68.00 1cyl n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cyl h GLU 41 N 0.88 0.94 -0.72 -0.78 3.07 -1.93 -0.75 114.58 115.29 1cyl h GLU 41 Ca -0.44 -0.06 0.15 0.00 -0.50 0.00 0.00 59.36 58.51 1cyl h GLU 41 Cb 1.37 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 1cyl h GLU 41 CO 0.52 0.62 0.49 0.87 -1.40 0.00 0.00 179.01 180.11 1cyl h LYS 42 N 0.96 0.32 -0.18 2.33 1.57 -1.87 -0.68 116.57 119.02 1cyl h LYS 42 Ca 0.29 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1cyl h LYS 42 Cb -0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1cyl h LYS 42 CO -0.09 0.21 -0.23 1.49 -0.57 0.00 0.00 179.45 180.26 1cyl h GLU 43 N 0.33 0.48 0.00 3.15 4.22 -1.47 -2.29 114.58 118.99 1cyl h GLU 43 Ca 0.35 -0.27 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 1cyl h GLU 43 Cb 0.91 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1cyl h GLU 43 CO -0.10 0.86 -0.07 0.00 -2.18 0.00 0.00 179.01 177.52 1cyl h THR 44 N 0.13 1.02 0.00 0.32 1.03 -0.83 0.31 112.91 114.88 1cyl h THR 44 Ca 0.02 -0.23 -0.11 0.00 -0.01 0.00 0.00 66.41 66.08 1cyl h THR 44 Cb 0.79 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1cyl h THR 44 CO 0.05 0.07 -0.53 -0.26 -0.01 0.00 0.00 175.52 174.84 1cyl h PHE 45 N 0.00 0.00 0.01 0.00 0.04 -0.98 -0.62 116.94 115.39 1cyl h PHE 45 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1cyl h PHE 45 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1cyl h PHE 45 CO 0.00 0.53 -0.00 0.00 -0.60 0.00 0.00 178.31 178.24 1cyl h ARG 47 N -0.53 0.34 -0.00 0.00 1.12 -1.45 -3.16 114.38 110.69 1cyl h ARG 47 Ca -0.00 -0.20 -0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1cyl h ARG 47 Cb 0.52 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1cyl h ARG 47 CO 0.00 0.77 -0.00 0.00 -3.11 0.00 0.00 179.97 177.63 1cyl h ALA 48 N 1.20 0.00 -1.01 2.80 0.00 -1.13 -2.82 119.26 118.30 1cyl h ALA 48 Ca 0.01 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 54.98 1cyl h ALA 48 Cb 0.99 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1cyl h ALA 48 CO 0.08 -0.27 0.73 0.00 0.00 0.00 0.00 179.25 179.80 1cyl h ALA 49 N 0.54 2.96 -0.25 0.00 0.00 -1.27 0.23 119.26 121.47 1cyl h ALA 49 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cyl h ALA 49 Cb 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1cyl h ALA 49 CO 0.00 -1.25 0.05 1.15 0.00 0.00 0.00 179.25 179.19 1cyl h THR 50 N 0.00 1.22 -0.03 0.00 2.02 -1.46 -1.29 112.91 113.37 1cyl h THR 50 Ca 0.48 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1cyl h THR 50 Cb 1.94 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1cyl h THR 50 CO -0.01 0.24 -0.04 1.62 0.37 0.00 0.00 175.52 177.70 1cyl h VAL 51 N 0.22 1.41 -0.34 3.16 3.04 -0.60 -1.92 116.25 121.23 1cyl h VAL 51 Ca 0.08 -1.29 0.09 0.00 -1.01 0.00 0.00 66.70 64.56 1cyl h VAL 51 Cb 0.32 2.22 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1cyl h VAL 51 CO 0.00 0.34 0.24 0.25 -1.01 0.00 0.00 177.57 177.40 1cyl h LEU 52 N -0.43 0.06 0.01 3.16 6.46 -1.34 0.89 115.31 124.11 1cyl h LEU 52 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1cyl h LEU 52 Cb 0.58 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1cyl h LEU 52 CO 0.01 0.03 -0.00 -0.09 -0.62 0.00 0.00 178.44 177.77 1cyl h ARG 53 N 0.06 -0.01 0.00 1.25 1.12 -1.03 -2.32 114.38 113.45 1cyl h ARG 53 Ca 0.16 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.97 1cyl h ARG 53 Cb 0.56 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 1cyl h ARG 53 CO -0.01 0.46 -0.28 -0.56 -3.11 0.00 0.00 179.97 176.47 1cyl h GLN 54 N -0.49 0.00 0.10 0.20 -0.00 -0.51 -1.95 115.11 112.45 1cyl h GLN 54 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1cyl h GLN 54 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1cyl h GLN 54 CO 0.00 0.28 -0.05 0.35 -0.00 0.00 0.00 178.83 179.41 1cyl h PHE 55 N 0.00 -0.13 -0.20 0.06 3.57 -0.79 -1.91 116.94 117.55 1cyl h PHE 55 Ca -0.00 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1cyl h PHE 55 Cb 0.56 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1cyl h PHE 55 CO 0.00 0.33 -0.64 0.10 -2.23 0.00 0.00 178.31 175.87 1cyl h TYR 56 N -0.65 0.95 -0.21 0.41 -0.00 -1.40 -2.89 116.97 113.17 1cyl h TYR 56 Ca -0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 58.73 58.23 1cyl h TYR 56 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 1cyl h TYR 56 CO 0.08 1.18 -0.33 1.03 -0.00 0.00 0.00 178.16 180.12 1cyl h SER 57 N 0.54 0.65 0.01 0.10 0.87 -1.44 -2.38 113.55 111.89 1cyl h SER 57 Ca -0.01 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1cyl h SER 57 Cb 1.24 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1cyl h SER 57 CO 0.13 1.05 -0.00 -0.74 -0.53 0.00 0.00 176.83 176.74 1cyl h HIS 58 N 0.27 -0.01 0.00 2.24 2.76 -1.44 -3.23 115.15 115.74 1cyl h HIS 58 Ca 0.02 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1cyl h HIS 58 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 1cyl h HIS 58 CO 0.09 0.50 -0.35 0.45 -1.30 0.00 0.00 177.93 177.32 1cyl h HIS 59 N -0.53 0.00 -0.21 5.26 3.86 -1.63 -3.30 115.15 118.60 1cyl h HIS 59 Ca -0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1cyl h HIS 59 Cb 0.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1cyl h HIS 59 CO 0.10 0.35 -0.01 0.39 0.86 0.00 0.00 177.93 179.62 1cyl n GLU 60 N -3.89 -0.02 -3.58 2.45 1.02 -0.89 -2.80 120.64 112.93 1cyl n GLU 60 Ca -0.01 0.32 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 1cyl n GLU 60 Cb 0.41 -0.50 -0.15 0.00 -0.02 0.00 0.00 31.44 31.18 1cyl n GLU 60 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1cyl s LYS 61 N -5.01 0.26 0.00 3.49 1.02 -1.24 -4.92 119.74 113.34 1cyl s LYS 61 Ca -0.03 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1cyl s LYS 61 Cb 0.06 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 1cyl s LYS 61 CO 0.16 -0.96 0.59 -3.47 -0.92 0.00 0.00 175.35 170.76 1cyl n ASP 62 N 5.19 -0.36 -2.27 2.83 2.03 -1.12 -4.96 116.55 117.90 1cyl n ASP 62 Ca -0.06 -1.18 -0.03 0.00 0.52 0.00 0.00 54.79 54.04 1cyl n ASP 62 Cb 0.43 0.11 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1cyl n ASP 62 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cyl n THR 63 N 0.00 -0.11 0.00 5.18 -2.24 -1.26 -4.80 114.28 111.05 1cyl n THR 63 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1cyl n THR 63 Cb 0.50 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1cyl n THR 63 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1cyl n ARG 64 N -2.35 0.00 -0.93 -0.78 3.00 -1.26 -4.01 116.66 110.32 1cyl n ARG 64 Ca -0.03 0.18 -0.19 0.00 -0.00 0.00 0.00 57.85 57.81 1cyl n ARG 64 Cb 0.46 -0.93 0.12 0.00 0.00 0.00 0.00 32.46 32.10 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cyl s LEU 66 N -2.47 4.20 -0.75 0.00 1.02 -1.26 -4.68 118.68 114.74 1cyl s LEU 66 Ca 0.43 0.80 -0.01 0.00 0.02 0.00 0.00 54.13 55.37 1cyl s LEU 66 Cb 0.35 -2.78 0.38 0.00 0.02 0.00 0.00 46.19 44.16 1cyl s LEU 66 CO 0.06 -0.14 1.90 0.61 0.02 0.00 0.00 176.35 178.81 1cyl n GLY 67 N 3.60 5.67 2.16 -3.19 0.00 -1.26 -4.83 105.19 107.34 1cyl n GLY 67 Ca -0.04 -2.49 -0.03 0.00 0.00 0.00 0.00 46.02 43.46 1cyl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyl n ALA 68 N -0.61 -0.70 -3.86 4.61 0.00 -1.26 -4.86 120.51 113.82 1cyl n ALA 68 Ca 0.54 0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.75 1cyl n ALA 68 Cb 0.38 -0.71 -0.17 0.00 0.00 0.00 0.00 19.45 18.95 1cyl n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cyl s THR 69 N -1.93 0.87 0.56 0.00 2.01 -1.26 -4.97 115.64 110.91 1cyl s THR 69 Ca 0.00 -0.28 0.33 0.00 0.31 0.00 0.00 61.69 62.05 1cyl s THR 69 Cb 0.00 -0.98 0.49 0.00 0.01 0.00 0.00 72.50 72.02 1cyl s THR 69 CO 0.00 0.26 1.78 0.00 -0.69 0.00 0.00 174.62 175.98 1cyl h ALA 70 N 8.20 2.84 0.01 7.40 0.00 -1.99 0.76 119.26 136.49 1cyl h ALA 70 Ca -0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1cyl h ALA 70 Cb 1.12 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cyl h ALA 70 CO 0.37 -1.27 -0.00 0.37 0.00 0.00 0.00 179.25 178.71 1cyl h GLN 71 N 0.00 -0.01 -0.96 0.00 5.75 -1.95 -1.50 115.11 116.43 1cyl h GLN 71 Ca 0.46 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 59.03 1cyl h GLN 71 Cb 2.01 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.50 1cyl h GLN 71 CO -0.00 0.10 0.61 0.37 -2.65 0.00 0.00 178.83 177.26 1cyl h GLN 72 N -0.13 1.07 0.00 1.69 4.15 0.16 -0.12 115.11 121.94 1cyl h GLN 72 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1cyl h GLN 72 Cb 0.12 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1cyl h GLN 72 CO 0.00 0.71 -0.10 0.35 -1.93 0.00 0.00 178.83 177.86 1cyl h PHE 73 N 1.10 0.00 -0.36 3.99 3.57 -0.73 -2.45 116.94 122.06 1cyl h PHE 73 Ca 0.42 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.76 1cyl h PHE 73 Cb 0.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1cyl h PHE 73 CO -0.01 0.10 -0.41 1.25 -2.23 0.00 0.00 178.31 177.01 1cyl h HIS 74 N 0.00 1.09 -0.12 0.41 2.76 0.00 -1.70 115.15 117.59 1cyl h HIS 74 Ca -0.00 -0.33 -0.11 0.00 -2.20 0.00 0.00 60.37 57.72 1cyl h HIS 74 Cb 0.18 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1cyl h HIS 74 CO 0.00 1.15 -0.43 -0.09 -1.30 0.00 0.00 177.93 177.27 1cyl h ARG 75 N 0.73 0.28 0.03 5.26 2.43 -1.29 -0.98 114.38 120.83 1cyl h ARG 75 Ca 0.05 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1cyl h ARG 75 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1cyl h ARG 75 CO 0.10 0.66 -0.01 1.25 -1.51 0.00 0.00 179.97 180.46 1cyl h HIS 76 N 0.23 -0.03 0.00 2.20 2.76 -1.29 -2.92 115.15 116.11 1cyl h HIS 76 Ca 0.02 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1cyl h HIS 76 Cb 0.85 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 1cyl h HIS 76 CO 0.02 0.46 -0.41 0.87 -1.30 0.00 0.00 177.93 177.57 1cyl h LYS 77 N -0.55 0.00 0.06 5.26 1.57 -1.28 -1.91 116.57 119.72 1cyl h LYS 77 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1cyl h LYS 77 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1cyl h LYS 77 CO 0.01 0.41 -0.03 0.37 -0.57 0.00 0.00 179.45 179.64 1cyl h GLN 78 N 0.00 -0.08 -0.28 3.15 4.15 -1.19 -0.01 115.11 120.86 1cyl h GLN 78 Ca -0.00 0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1cyl h GLN 78 Cb 0.76 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1cyl h GLN 78 CO 0.05 0.38 -0.46 1.37 -1.93 0.00 0.00 178.83 178.24 1cyl h LEU 79 N -0.56 0.79 -1.12 -2.39 8.10 -1.55 -2.10 115.31 116.48 1cyl h LEU 79 Ca -0.01 -0.39 -0.07 0.00 0.11 0.00 0.00 57.88 57.52 1cyl h LEU 79 Cb 0.49 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1cyl h LEU 79 CO 0.01 1.13 -0.15 0.40 -4.11 0.00 0.00 178.44 175.72 1cyl h ILE 80 N 0.58 1.23 -0.14 0.15 5.03 -1.38 0.33 117.51 123.31 1cyl h ILE 80 Ca 0.03 -1.03 -0.01 0.00 -0.12 0.00 0.00 64.86 63.73 1cyl h ILE 80 Cb 1.02 1.20 -0.01 0.00 -3.03 0.00 0.00 36.82 36.01 1cyl h ILE 80 CO 0.10 0.33 0.04 -0.09 -0.68 0.00 0.00 178.15 177.85 1cyl h ARG 81 N 0.41 0.21 0.00 2.37 9.65 -0.62 -1.22 114.38 125.18 1cyl h ARG 81 Ca 0.07 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1cyl h ARG 81 Cb 0.51 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1cyl h ARG 81 CO 0.03 0.35 -0.26 0.74 2.80 0.00 0.00 179.97 183.62 1cyl h PHE 82 N 0.04 0.00 0.09 2.20 0.04 -1.03 -2.48 116.94 115.80 1cyl h PHE 82 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1cyl h PHE 82 Cb 0.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1cyl h PHE 82 CO -0.00 0.26 -0.07 -0.07 -0.60 0.00 0.00 178.31 177.83 1cyl h LEU 83 N 0.00 -0.18 -0.85 1.54 3.38 0.70 -1.74 115.31 118.17 1cyl h LEU 83 Ca -0.00 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1cyl h LEU 83 Cb 0.50 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1cyl h LEU 83 CO 0.03 -0.11 0.46 0.50 0.09 0.00 0.00 178.44 179.41 1cyl h LYS 84 N -0.17 0.69 -0.77 1.13 3.64 -0.83 0.30 116.57 120.56 1cyl h LYS 84 Ca -0.00 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.48 1cyl h LYS 84 Cb 0.15 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 1cyl h LYS 84 CO -0.00 0.45 0.30 0.00 -2.27 0.00 0.00 179.45 177.93 1cyl h ARG 85 N 0.71 0.42 0.00 1.90 2.47 -0.94 0.37 114.38 119.31 1cyl h ARG 85 Ca 0.44 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 59.03 1cyl h ARG 85 Cb 0.53 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1cyl h ARG 85 CO -0.31 0.28 -0.51 1.25 0.56 0.00 0.00 179.97 181.24 1cyl h LEU 86 N 0.44 0.00 -0.00 3.04 5.85 -0.05 -2.44 115.31 122.14 1cyl h LEU 86 Ca 0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 1cyl h LEU 86 Cb 0.67 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1cyl h LEU 86 CO -0.42 0.51 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.41 1cyl h ASP 87 N 0.00 0.00 -0.30 1.25 3.58 0.15 -0.43 116.42 120.68 1cyl h ASP 87 Ca -0.01 -0.51 -0.16 0.00 0.42 0.00 0.00 57.03 56.77 1cyl h ASP 87 Cb 0.91 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1cyl h ASP 87 CO 0.07 0.51 -0.43 0.03 -2.88 0.00 0.00 179.24 176.54 1cyl h ARG 88 N -0.51 0.87 -0.27 0.28 3.08 -1.37 -3.23 114.38 113.23 1cyl h ARG 88 Ca 0.00 -0.48 -0.14 0.00 0.07 0.00 0.00 59.98 59.43 1cyl h ARG 88 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1cyl h ARG 88 CO 0.00 1.12 -0.38 -2.95 -1.07 0.00 0.00 179.97 176.69 1cyl h ASN 89 N 0.70 0.80 -1.06 7.04 -1.07 -1.51 -3.13 115.58 117.35 1cyl h ASN 89 Ca 0.05 -0.51 0.31 0.00 0.07 0.00 0.00 56.30 56.22 1cyl h ASN 89 Cb 1.02 -0.23 -0.04 0.00 -2.07 0.00 0.00 38.32 37.00 1cyl h ASN 89 CO 0.10 1.15 0.77 -0.07 0.07 0.00 0.00 177.43 179.46 1cyl h LEU 90 N 0.47 0.00 -0.70 6.14 3.38 -1.08 0.38 115.31 123.89 1cyl h LEU 90 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1cyl h LEU 90 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1cyl h LEU 90 CO 0.09 0.00 0.11 -0.50 0.09 0.00 0.00 178.44 178.23 1cyl h TRP 91 N 0.00 1.17 -0.08 1.13 -0.00 -1.64 -1.49 115.95 115.04 1cyl h TRP 91 Ca 0.51 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.89 59.19 1cyl h TRP 91 Cb 2.05 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 30.88 1cyl h TRP 91 CO 0.00 0.98 -0.13 0.78 -0.00 0.00 0.00 178.44 180.07 1cyl h GLY 92 N 1.05 0.26 0.22 1.49 0.00 -0.45 0.26 103.07 105.91 1cyl h GLY 92 Ca 0.20 -0.29 0.23 0.00 0.00 0.00 0.00 47.33 47.47 1cyl h GLY 92 CO 0.01 0.26 0.62 -2.00 0.00 0.00 0.00 176.54 175.44 1cyl h LEU 93 N -0.21 0.25 0.00 3.11 7.12 -1.13 -3.22 115.31 121.22 1cyl h LEU 93 Ca 0.01 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1cyl h LEU 93 Cb 0.69 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1cyl h LEU 93 CO 0.03 0.09 -0.07 0.00 -0.13 0.00 0.00 178.44 178.36 1cyl n ALA 94 N -2.59 0.06 0.00 1.25 0.00 -0.58 -4.80 120.51 113.85 1cyl n ALA 94 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyl n ALA 94 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1cyl n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyl n GLY 95 N 1.67 1.84 3.77 0.00 0.00 0.07 -4.79 105.19 107.75 1cyl n GLY 95 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1cyl n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cyl s LEU 96 N 0.00 3.35 -0.32 0.99 2.96 -1.26 -5.03 118.68 119.37 1cyl s LEU 96 Ca 0.00 -0.71 0.17 0.00 -0.22 0.00 0.00 54.13 53.37 1cyl s LEU 96 Cb 0.00 -1.87 0.45 0.00 0.50 0.00 0.00 46.19 45.27 1cyl s LEU 96 CO 0.00 -0.34 1.26 -3.20 -1.32 0.00 0.00 176.35 172.75 1cyl n ASN 97 N -1.23 0.07 -2.99 3.68 5.15 -1.26 -4.79 115.26 113.89 1cyl n ASN 97 Ca -0.02 -2.27 -0.16 0.00 -0.60 0.00 0.00 54.58 51.53 1cyl n ASN 97 Cb 0.61 0.10 -0.00 0.00 -0.53 0.00 0.00 39.78 39.96 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1cyl n SER 98 N -0.80 -1.02 -3.21 1.20 2.88 -1.26 -5.01 113.62 106.40 1cyl n SER 98 Ca -0.02 -3.10 -0.26 0.00 -1.33 0.00 0.00 58.87 54.17 1cyl n SER 98 Cb 0.84 0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 64.75 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cyl s PRO 100 N -2.65 3.01 0.00 0.00 0.04 -1.26 -4.67 135.00 129.47 1cyl s PRO 100 Ca 0.42 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1cyl s PRO 100 Cb 0.21 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1cyl s PRO 100 CO -0.07 -2.31 0.00 0.28 0.04 0.00 0.00 177.00 174.94 1cyl n VAL 101 N 6.82 0.00 0.00 -0.36 0.31 -1.26 -5.13 118.33 118.71 1cyl n VAL 101 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1cyl n VAL 101 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1cyl n VAL 101 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1cyl n LYS 102 N 0.00 0.00 -3.35 5.55 2.85 -1.26 -5.10 118.16 116.85 1cyl n LYS 102 Ca 0.00 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.80 1cyl n LYS 102 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1cyl s GLU 103 N 0.00 3.47 0.36 -1.58 0.41 -1.26 -4.90 118.70 115.20 1cyl s GLU 103 Ca 0.00 -2.38 0.14 0.00 -0.41 0.00 0.00 54.97 52.33 1cyl s GLU 103 Cb 0.00 -4.37 1.00 0.00 -1.78 0.00 0.00 34.13 28.98 1cyl s GLU 103 CO 0.00 -1.29 1.75 0.00 -0.49 0.00 0.00 175.26 175.24 1cyl h ALA 104 N 7.87 2.04 -1.32 5.21 0.00 -1.98 -3.42 119.26 127.65 1cyl h ALA 104 Ca 0.05 0.09 -0.44 0.00 0.00 0.00 0.00 54.91 54.61 1cyl h ALA 104 Cb 1.04 0.02 0.23 0.00 0.00 0.00 0.00 17.79 19.08 1cyl h ALA 104 CO 0.78 -0.47 -1.76 -1.71 0.00 0.00 0.00 179.25 176.10 1cyl n ASN 105 N -4.74 -2.69 -3.74 0.00 2.85 -1.26 -5.02 115.26 100.67 1cyl n ASN 105 Ca 0.26 -0.09 -0.10 0.00 -0.11 0.00 0.00 54.58 54.54 1cyl n ASN 105 Cb 0.82 -0.71 -0.05 0.00 1.24 0.00 0.00 39.78 41.08 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cyl s GLN 106 N -2.73 1.20 0.22 1.20 -2.07 -1.26 -4.45 119.66 111.78 1cyl s GLN 106 Ca 0.43 -0.85 -0.02 0.00 -1.82 0.00 0.00 55.36 53.10 1cyl s GLN 106 Cb -0.00 0.47 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 1cyl s GLN 106 CO 0.61 -0.48 0.32 0.45 -1.32 0.00 0.00 175.29 174.88 1cyl n SER 107 N -0.26 -0.91 -4.90 12.60 2.88 -1.22 -4.87 113.62 116.95 1cyl n SER 107 Ca -0.12 -2.18 -0.32 0.00 -1.33 0.00 0.00 58.87 54.92 1cyl n SER 107 Cb 0.63 1.67 -0.05 0.00 -0.75 0.00 0.00 64.21 65.72 1cyl n SER 107 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1cyl s THR 108 N -2.65 5.20 0.53 2.46 -4.23 -1.26 -2.09 115.64 113.59 1cyl s THR 108 Ca 0.18 0.04 0.20 0.00 -1.18 0.00 0.00 61.69 60.93 1cyl s THR 108 Cb -0.01 -3.62 0.32 0.00 1.34 0.00 0.00 72.50 70.53 1cyl s THR 108 CO 0.13 0.12 2.10 0.25 -0.54 0.00 0.00 174.62 176.67 1cyl h LEU 109 N 3.09 0.00 -1.00 4.79 6.46 -0.34 0.20 115.31 128.52 1cyl h LEU 109 Ca -0.47 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.53 1cyl h LEU 109 Cb 1.17 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.98 1cyl h LEU 109 CO 0.72 0.00 0.59 -0.33 -0.62 0.00 0.00 178.44 178.79 1cyl h GLU 110 N 0.00 0.60 -0.02 1.25 5.08 -1.83 0.15 114.58 119.80 1cyl h GLU 110 Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1cyl h GLU 110 Cb 0.36 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1cyl h GLU 110 CO -0.00 0.39 -0.02 -0.97 -1.00 0.00 0.00 179.01 177.41 1cyl h ASN 111 N 0.61 0.05 -1.03 1.42 -0.73 -1.35 -2.32 115.58 112.24 1cyl h ASN 111 Ca 0.63 -0.52 0.26 0.00 1.87 0.00 0.00 56.30 58.53 1cyl h ASN 111 Cb 1.14 -0.01 -0.10 0.00 0.27 0.00 0.00 38.32 39.62 1cyl h ASN 111 CO -0.46 0.56 0.65 0.15 -0.37 0.00 0.00 177.43 177.97 1cyl h PHE 112 N -0.46 0.74 -0.18 0.67 3.57 -0.65 0.85 116.94 121.48 1cyl h PHE 112 Ca 0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 1cyl h PHE 112 Cb 0.55 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1cyl h PHE 112 CO 0.11 0.06 -0.60 1.25 -2.23 0.00 0.00 178.31 176.90 1cyl h LEU 113 N 0.44 0.66 0.07 0.59 7.12 -0.88 -0.33 115.31 122.98 1cyl h LEU 113 Ca 0.61 -0.37 -0.00 0.00 0.13 0.00 0.00 57.88 58.24 1cyl h LEU 113 Cb 1.44 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1cyl h LEU 113 CO -0.34 1.11 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.97 1cyl h GLU 114 N 0.44 -0.09 0.02 1.25 4.22 0.98 -2.02 114.58 119.38 1cyl h GLU 114 Ca -0.00 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1cyl h GLU 114 Cb 1.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1cyl h GLU 114 CO 0.11 0.41 -0.06 -0.09 -2.18 0.00 0.00 179.01 177.21 1cyl h ARG 115 N -0.65 -0.10 -0.75 1.92 9.65 -0.07 -1.42 114.38 122.95 1cyl h ARG 115 Ca -0.01 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1cyl h ARG 115 Cb 0.54 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.07 1cyl h ARG 115 CO 0.02 -0.07 0.39 -0.07 2.80 0.00 0.00 179.97 183.04 1cyl h LEU 116 N -0.11 0.53 -0.41 3.80 3.38 -1.12 -1.66 115.31 119.72 1cyl h LEU 116 Ca 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1cyl h LEU 116 Cb 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1cyl h LEU 116 CO -0.05 0.29 0.24 0.11 0.09 0.00 0.00 178.44 179.13 1cyl h LYS 117 N 0.66 0.56 -0.40 1.13 1.57 -0.64 -1.88 116.57 117.57 1cyl h LYS 117 Ca 0.37 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1cyl h LYS 117 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1cyl h LYS 117 CO -0.27 0.43 0.27 1.15 -0.57 0.00 0.00 179.45 180.46 1cyl h THR 118 N 0.54 1.06 0.03 -0.16 2.02 -0.41 -1.56 112.91 114.43 1cyl h THR 118 Ca 0.15 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1cyl h THR 118 Cb 0.02 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1cyl h THR 118 CO -0.03 0.09 -0.02 0.40 0.37 0.00 0.00 175.52 176.33 1cyl h ILE 119 N 0.47 1.32 -0.60 3.11 1.08 -0.69 -2.79 117.51 119.42 1cyl h ILE 119 Ca 0.16 -1.19 0.05 0.00 -0.39 0.00 0.00 64.86 63.49 1cyl h ILE 119 Cb 0.06 2.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 1cyl h ILE 119 CO -0.04 0.30 0.40 0.24 -0.69 0.00 0.00 178.15 178.36 1cyl h MET 120 N -0.57 0.60 -0.36 2.37 2.86 -1.03 0.19 114.93 118.99 1cyl h MET 120 Ca -0.00 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1cyl h MET 120 Cb 0.52 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1cyl h MET 120 CO 0.01 0.40 0.03 -0.09 1.06 0.00 0.00 176.91 178.32 1cyl h ARG 121 N 0.62 0.54 0.03 1.72 2.43 -1.24 0.17 114.38 118.65 1cyl h ARG 121 Ca 0.25 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1cyl h ARG 121 Cb 0.21 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1cyl h ARG 121 CO -0.07 0.55 -0.02 0.93 -1.51 0.00 0.00 179.97 179.85 1cyl h GLU 122 N 0.53 -0.04 -0.53 0.20 5.08 -0.40 0.21 114.58 119.63 1cyl h GLU 122 Ca 0.12 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1cyl h GLU 122 Cb 0.29 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1cyl h GLU 122 CO 0.01 0.44 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.10 1cyl h LYS 123 N -0.55 1.01 -0.03 2.33 3.64 -1.13 -2.80 116.57 119.04 1cyl h LYS 123 Ca -0.00 -0.39 -0.11 0.00 -1.27 0.00 0.00 60.65 58.88 1cyl h LYS 123 Cb 0.51 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1cyl h LYS 123 CO 0.01 1.07 -0.50 -0.92 -2.27 0.00 0.00 179.45 176.84 1cyl h TYR 124 N 0.89 0.09 0.00 1.91 3.20 -1.01 -2.54 116.97 119.51 1cyl h TYR 124 Ca 0.13 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1cyl h TYR 124 Cb 0.71 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1cyl h TYR 124 CO 0.05 0.56 0.00 0.43 -1.64 0.00 0.00 178.16 177.56 1cyl n SER 125 N -3.94 0.00 -2.13 -2.11 7.64 0.06 -2.85 113.62 110.29 1cyl n SER 125 Ca -0.02 -0.23 -0.25 0.00 1.01 0.00 0.00 58.87 59.39 1cyl n SER 125 Cb 0.53 -0.14 0.12 0.00 -1.01 0.00 0.00 64.21 63.71 1cyl n SER 125 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cyl n LYS 126 N -1.14 2.24 0.29 1.43 4.76 -0.96 -4.51 118.16 120.27 1cyl n LYS 126 Ca 0.10 -2.72 0.14 0.00 -2.87 0.00 0.00 58.31 52.96 1cyl n LYS 126 Cb 0.09 -2.07 0.88 0.00 -1.84 0.00 0.00 35.03 32.10 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cyl s SER 128 N -6.25 5.10 0.00 0.00 0.01 -1.26 -3.80 113.70 107.51 1cyl s SER 128 Ca -0.05 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.10 1cyl s SER 128 Cb 0.15 -1.24 0.20 0.00 0.21 0.00 0.00 66.02 65.34 1cyl s SER 128 CO 0.56 0.18 0.68 -0.24 0.41 0.00 0.00 173.24 174.83