#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 3.15 1.05 1.57 1.02 -1.26 -4.98 119.74 120.29 1cyl s LYS 2 Ca 0.00 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 55.96 1cyl s LYS 2 Cb 0.00 -4.19 -0.08 0.00 -0.52 0.00 0.00 37.83 33.05 1cyl s LYS 2 CO 0.00 -2.15 -0.90 0.00 -0.92 0.00 0.00 175.35 171.38 1cyl n ASP 4 N 1.42 -4.95 0.15 0.00 -0.08 -1.26 -4.73 116.55 107.10 1cyl n ASP 4 Ca -0.01 0.18 -0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1cyl n ASP 4 Cb 0.70 -0.82 0.22 0.00 2.34 0.00 0.00 41.12 43.55 1cyl n ASP 4 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1cyl h ILE 5 N -1.13 1.37 -0.37 5.18 5.03 -2.00 -3.16 117.51 122.43 1cyl h ILE 5 Ca -0.44 -1.92 0.08 0.00 -0.12 0.00 0.00 64.86 62.46 1cyl h ILE 5 Cb 1.31 2.05 -0.08 0.00 -3.03 0.00 0.00 36.82 37.07 1cyl h ILE 5 CO 0.25 0.54 -0.15 0.74 -0.68 0.00 0.00 178.15 178.85 1cyl h THR 6 N 0.00 0.51 -0.16 -0.27 2.02 -2.00 -0.50 112.91 112.51 1cyl h THR 6 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1cyl h THR 6 Cb 1.00 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1cyl h THR 6 CO 0.07 0.00 -0.29 -0.07 0.37 0.00 0.00 175.52 175.60 1cyl h LEU 7 N -0.08 0.53 -1.99 2.58 4.07 -1.91 -2.74 115.31 115.78 1cyl h LEU 7 Ca 0.19 -0.54 0.24 0.00 0.08 0.00 0.00 57.88 57.84 1cyl h LEU 7 Cb 0.36 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 1cyl h LEU 7 CO -0.43 0.98 0.61 1.56 -1.08 0.00 0.00 178.44 180.08 1cyl h GLN 8 N 0.11 0.00 -0.08 1.13 4.20 -1.40 0.16 115.11 119.23 1cyl h GLN 8 Ca 0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1cyl h GLN 8 Cb 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1cyl h GLN 8 CO 0.07 0.00 -0.13 0.93 -0.67 0.00 0.00 178.83 179.02 1cyl h GLU 9 N 0.00 0.23 0.07 1.46 5.08 -0.82 -3.17 114.58 117.43 1cyl h GLU 9 Ca 0.40 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1cyl h GLU 9 Cb 1.62 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1cyl h GLU 9 CO -0.00 0.72 -0.04 0.82 -1.00 0.00 0.00 179.01 179.51 1cyl h ILE 10 N -0.24 0.99 -0.97 3.13 1.08 -0.46 -2.14 117.51 118.89 1cyl h ILE 10 Ca 0.01 -0.21 0.28 0.00 -0.39 0.00 0.00 64.86 64.55 1cyl h ILE 10 Cb 0.70 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.54 1cyl h ILE 10 CO 0.03 0.05 0.71 0.40 -0.69 0.00 0.00 178.15 178.65 1cyl h ILE 11 N -0.19 0.50 -0.21 -0.67 2.04 -1.40 0.22 117.51 117.80 1cyl h ILE 11 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1cyl h ILE 11 Cb 0.16 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1cyl h ILE 11 CO 0.02 0.00 0.03 0.50 0.00 0.00 0.00 178.15 178.70 1cyl h LYS 12 N 0.00 0.36 -0.09 2.37 1.63 -1.35 -0.03 116.57 119.46 1cyl h LYS 12 Ca 0.46 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.12 1cyl h LYS 12 Cb 1.88 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.46 1cyl h LYS 12 CO -0.00 0.51 -0.12 1.15 -3.45 0.00 0.00 179.45 177.53 1cyl h THR 13 N 0.15 1.38 0.00 1.00 2.02 -0.57 -2.66 112.91 114.23 1cyl h THR 13 Ca 0.06 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1cyl h THR 13 Cb 0.32 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1cyl h THR 13 CO 0.00 0.38 -0.10 0.25 0.37 0.00 0.00 175.52 176.42 1cyl h LEU 14 N -0.20 0.00 -0.09 2.58 5.85 -1.17 -2.67 115.31 119.62 1cyl h LEU 14 Ca 0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1cyl h LEU 14 Cb 0.67 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1cyl h LEU 14 CO 0.03 0.10 -0.13 0.78 -0.34 0.00 0.00 178.44 178.88 1cyl h ASN 15 N 0.00 0.27 -0.40 1.25 4.21 -0.88 -3.26 115.58 116.77 1cyl h ASN 15 Ca -0.00 -0.52 0.08 0.00 1.21 0.00 0.00 56.30 57.07 1cyl h ASN 15 Cb 0.19 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 37.24 1cyl h ASN 15 CO 0.01 0.74 -0.07 -1.28 -1.29 0.00 0.00 177.43 175.54 1cyl h SER 16 N -0.19 -0.30 -0.72 5.81 0.87 -1.11 0.26 113.55 118.16 1cyl h SER 16 Ca 0.01 0.11 0.21 0.00 -1.23 0.00 0.00 61.79 60.89 1cyl h SER 16 Cb 0.68 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1cyl h SER 16 CO 0.03 -0.11 0.52 -0.07 -0.53 0.00 0.00 176.83 176.68 1cyl h LEU 17 N 0.03 0.00 -0.97 2.23 3.38 -1.59 0.12 115.31 118.51 1cyl h LEU 17 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1cyl h LEU 17 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1cyl h LEU 17 CO -0.38 0.00 0.55 0.71 0.09 0.00 0.00 178.44 179.41 1cyl h THR 18 N 0.00 1.26 0.00 0.22 1.35 -0.98 -0.26 112.91 114.50 1cyl h THR 18 Ca 0.34 -0.57 -0.08 0.00 -0.55 0.00 0.00 66.41 65.56 1cyl h THR 18 Cb 1.38 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1cyl h THR 18 CO -0.00 0.27 -0.36 -0.33 -0.25 0.00 0.00 175.52 174.85 1cyl h GLU 19 N 1.28 0.00 -4.29 4.72 4.39 -0.77 -3.35 114.58 116.56 1cyl h GLU 19 Ca 0.33 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.33 1cyl h GLU 19 Cb -0.04 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.27 1cyl h GLU 19 CO -0.06 0.36 -0.47 -0.65 -1.16 0.00 0.00 179.01 177.03 1cyl s GLN 20 N -4.18 2.23 -0.43 2.33 -0.21 -0.11 -4.94 119.66 114.35 1cyl s GLN 20 Ca -0.03 -1.93 0.08 0.00 0.02 0.00 0.00 55.36 53.50 1cyl s GLN 20 Cb 0.14 -3.70 0.27 0.00 1.00 0.00 0.00 33.01 30.72 1cyl s GLN 20 CO 0.72 -1.12 0.75 0.36 -2.12 0.00 0.00 175.29 173.88 1cyl n LYS 21 N 4.48 0.81 0.00 2.91 2.85 -1.22 -4.70 118.16 123.29 1cyl n LYS 21 Ca -0.02 -2.58 0.00 0.00 -1.05 0.00 0.00 58.31 54.67 1cyl n LYS 21 Cb 0.41 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1cyl n LYS 21 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1cyl n THR 22 N 1.21 0.00 -0.56 0.58 -1.04 -1.25 -4.91 114.28 108.30 1cyl n THR 22 Ca 0.16 0.00 0.42 0.00 -2.04 0.00 0.00 64.05 62.59 1cyl n THR 22 Cb 0.60 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.77 1cyl n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cyl n LEU 23 N -2.36 0.00 0.03 -4.42 -0.00 -1.26 -4.46 117.00 104.52 1cyl n LEU 23 Ca 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 1cyl n LEU 23 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1cyl n LEU 23 CO 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 177.39 176.60 1cyl n THR 25 N -2.27 0.25 -1.78 0.00 5.66 -1.26 -2.72 114.28 112.15 1cyl n THR 25 Ca 0.00 -0.25 -0.01 0.00 -3.05 0.00 0.00 64.05 60.74 1cyl n THR 25 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1cyl n THR 25 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1cyl n GLU 26 N 0.70 -0.07 -4.11 1.09 0.28 -1.26 -3.90 120.64 113.36 1cyl n GLU 26 Ca 0.05 0.16 -0.26 0.00 -0.16 0.00 0.00 57.16 56.96 1cyl n GLU 26 Cb 0.21 -3.71 -0.06 0.00 1.43 0.00 0.00 31.44 29.31 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1cyl s LEU 27 N -0.26 3.71 0.00 -1.84 0.05 -1.10 -2.55 118.68 116.68 1cyl s LEU 27 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 53.99 1cyl s LEU 27 Cb 0.00 -2.32 0.00 0.00 -2.05 0.00 0.00 46.19 41.82 1cyl s LEU 27 CO 0.00 0.06 0.00 0.35 -0.55 0.00 0.00 176.35 176.21 1cyl n THR 28 N -0.37 0.00 -3.56 5.48 -2.24 -1.26 -1.38 114.28 110.96 1cyl n THR 28 Ca -0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1cyl n THR 28 Cb 0.55 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1cyl n THR 28 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1cyl n VAL 29 N 0.00 0.00 -2.07 2.28 0.31 -0.48 -4.48 118.33 113.89 1cyl n VAL 29 Ca 0.00 -0.54 -0.39 0.00 -0.01 0.00 0.00 64.34 63.40 1cyl n VAL 29 Cb 0.00 0.58 -0.01 0.00 -0.91 0.00 0.00 33.84 33.50 1cyl n VAL 29 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1cyl s THR 30 N -2.39 2.65 -1.00 2.52 2.01 -1.26 -2.63 115.64 115.54 1cyl s THR 30 Ca 0.11 0.59 -0.14 0.00 0.31 0.00 0.00 61.69 62.56 1cyl s THR 30 Cb -0.03 -3.35 0.20 0.00 0.01 0.00 0.00 72.50 69.34 1cyl s THR 30 CO 0.06 0.09 1.08 -0.62 -0.69 0.00 0.00 174.62 174.54 1cyl s ASP 31 N -0.74 6.94 0.00 3.53 -1.08 -1.25 -4.48 116.67 119.58 1cyl s ASP 31 Ca 0.56 -2.82 0.00 0.00 -0.52 0.00 0.00 52.55 49.77 1cyl s ASP 31 Cb -0.38 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1cyl s ASP 31 CO 0.49 -0.66 0.00 2.30 0.52 0.00 0.00 175.17 177.82 1cyl n ILE 32 N 4.15 0.00 -1.91 4.11 -5.35 -1.26 -4.55 119.36 114.55 1cyl n ILE 32 Ca 0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 1cyl n ILE 32 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.00 -1.59 -2.92 4.28 3.72 -1.26 -4.69 117.46 115.00 1cyl n PHE 33 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1cyl n PHE 33 Cb 0.00 -0.96 0.02 0.00 -0.94 0.00 0.00 39.48 37.60 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 -1.90 0.22 0.00 4.37 0.00 -1.26 -4.91 120.51 117.03 1cyl n ALA 34 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.22 1cyl n ALA 34 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.09 0.00 -2.94 0.00 0.00 -1.26 -4.97 120.51 112.43 1cyl n ALA 35 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 1cyl n ALA 35 Cb 0.62 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.11 0.05 0.00 7.64 -1.26 -4.85 113.62 113.09 1cyl n SER 36 Ca 0.00 -0.40 0.05 0.00 1.01 0.00 0.00 58.87 59.53 1cyl n SER 36 Cb 0.00 -3.52 0.25 0.00 -1.01 0.00 0.00 64.21 59.92 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 -3.06 0.05 0.14 1.43 4.81 -1.26 -1.68 118.16 118.59 1cyl n LYS 37 Ca -0.18 0.45 0.10 0.00 -0.87 0.00 0.00 58.31 57.81 1cyl n LYS 37 Cb 0.61 -1.63 0.51 0.00 0.02 0.00 0.00 35.03 34.55 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1cyl n ASN 38 N -1.73 0.52 -4.76 3.14 4.05 -1.26 -4.67 115.26 110.55 1cyl n ASN 38 Ca 0.01 0.72 -0.39 0.00 0.45 0.00 0.00 54.58 55.36 1cyl n ASN 38 Cb 0.08 -0.80 0.01 0.00 1.23 0.00 0.00 39.78 40.30 1cyl n ASN 38 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1cyl s THR 39 N -3.45 2.35 0.41 -0.44 2.01 -0.68 -4.88 115.64 110.97 1cyl s THR 39 Ca -0.01 0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.08 1cyl s THR 39 Cb 0.06 -3.17 -0.16 0.00 0.01 0.00 0.00 72.50 69.25 1cyl s THR 39 CO 0.22 0.03 0.06 0.35 -0.69 0.00 0.00 174.62 174.59 1cyl n THR 40 N -0.20 0.56 -0.17 -0.82 -2.24 -1.26 -4.67 114.28 105.48 1cyl n THR 40 Ca 0.05 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1cyl n THR 40 Cb 0.43 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.06 1cyl n THR 40 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1cyl h GLU 41 N 0.28 0.64 -0.87 -0.78 4.11 -1.89 0.22 114.58 116.29 1cyl h GLU 41 Ca -0.37 -0.04 0.17 0.00 0.07 0.00 0.00 59.36 59.19 1cyl h GLU 41 Cb 1.44 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1cyl h GLU 41 CO 0.46 0.42 0.57 0.87 0.07 0.00 0.00 179.01 181.40 1cyl h LYS 42 N 0.65 0.52 -0.26 1.06 1.57 -1.90 -0.29 116.57 117.93 1cyl h LYS 42 Ca 0.33 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.96 1cyl h LYS 42 Cb 0.42 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1cyl h LYS 42 CO -0.11 0.34 -0.29 1.49 -0.57 0.00 0.00 179.45 180.31 1cyl h GLU 43 N 0.53 0.65 0.00 3.15 4.81 -1.24 -2.53 114.58 119.95 1cyl h GLU 43 Ca 0.44 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1cyl h GLU 43 Cb 0.91 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1cyl h GLU 43 CO -0.18 0.96 -0.05 0.00 -0.73 0.00 0.00 179.01 179.00 1cyl h THR 44 N 0.37 0.95 0.00 0.32 1.03 -1.02 0.32 112.91 114.88 1cyl h THR 44 Ca 0.04 -0.19 -0.10 0.00 -0.01 0.00 0.00 66.41 66.15 1cyl h THR 44 Cb 0.86 1.11 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 1cyl h THR 44 CO 0.07 0.05 -0.46 -0.26 -0.01 0.00 0.00 175.52 174.91 1cyl h PHE 45 N 0.00 0.00 0.20 0.00 0.04 -0.84 0.41 116.94 116.76 1cyl h PHE 45 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1cyl h PHE 45 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1cyl h PHE 45 CO 0.00 0.46 -0.10 0.00 -0.60 0.00 0.00 178.31 178.08 1cyl h ARG 47 N -0.53 -0.03 -0.63 0.00 9.65 -1.53 -2.94 114.38 118.36 1cyl h ARG 47 Ca -0.03 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.94 1cyl h ARG 47 Cb 0.40 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.94 1cyl h ARG 47 CO 0.05 0.57 0.42 0.00 2.80 0.00 0.00 179.97 183.81 1cyl h ALA 48 N 0.25 1.89 -0.12 2.80 0.00 -0.99 0.41 119.26 123.51 1cyl h ALA 48 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1cyl h ALA 48 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1cyl h ALA 48 CO 0.01 -0.01 -0.48 0.00 0.00 0.00 0.00 179.25 178.76 1cyl h ALA 49 N 1.67 0.95 -0.29 0.00 0.00 -0.90 -1.66 119.26 119.03 1cyl h ALA 49 Ca 0.28 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1cyl h ALA 49 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cyl h ALA 49 CO -0.09 0.65 -0.45 1.15 0.00 0.00 0.00 179.25 180.52 1cyl h THR 50 N 0.25 1.29 -0.16 0.00 2.02 -0.76 -1.75 112.91 113.80 1cyl h THR 50 Ca 0.01 -1.64 -0.08 0.00 0.77 0.00 0.00 66.41 65.48 1cyl h THR 50 Cb 0.95 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1cyl h THR 50 CO 0.08 0.53 -0.21 -0.37 0.37 0.00 0.00 175.52 175.92 1cyl h VAL 51 N 0.60 1.35 -0.04 3.16 -1.51 -1.12 -1.62 116.25 117.07 1cyl h VAL 51 Ca 0.04 -1.42 -0.03 0.00 -1.23 0.00 0.00 66.70 64.06 1cyl h VAL 51 Cb 1.01 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 32.08 1cyl h VAL 51 CO 0.10 0.42 -0.10 0.25 -1.23 0.00 0.00 177.57 177.01 1cyl h LEU 52 N 0.04 0.06 -0.09 4.19 5.85 -1.30 0.26 115.31 124.32 1cyl h LEU 52 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1cyl h LEU 52 Cb 0.77 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1cyl h LEU 52 CO 0.05 0.17 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.21 1cyl h ARG 53 N 0.06 0.16 0.00 1.25 2.43 -1.08 -2.32 114.38 114.89 1cyl h ARG 53 Ca 0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1cyl h ARG 53 Cb 0.22 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1cyl h ARG 53 CO 0.01 0.48 -0.15 1.96 -1.51 0.00 0.00 179.97 180.76 1cyl h GLN 54 N -0.16 0.00 0.13 0.20 4.20 -0.51 -1.85 115.11 117.12 1cyl h GLN 54 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1cyl h GLN 54 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1cyl h GLN 54 CO 0.01 0.15 -0.06 0.35 -0.67 0.00 0.00 178.83 178.61 1cyl h PHE 55 N 0.00 -0.16 -0.16 2.96 3.57 -0.66 0.05 116.94 122.54 1cyl h PHE 55 Ca -0.00 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1cyl h PHE 55 Cb 0.31 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.11 1cyl h PHE 55 CO 0.00 0.27 -0.63 0.10 -2.23 0.00 0.00 178.31 175.83 1cyl h TYR 56 N -0.66 0.94 0.01 0.41 -0.00 -1.35 -0.29 116.97 116.03 1cyl h TYR 56 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 58.73 58.32 1cyl h TYR 56 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 37.08 1cyl h TYR 56 CO 0.07 1.21 -0.00 1.03 -0.00 0.00 0.00 178.16 180.46 1cyl h SER 57 N 0.40 -0.01 0.35 0.10 0.87 -1.44 -3.17 113.55 110.66 1cyl h SER 57 Ca -0.03 -0.53 -0.06 0.00 -1.23 0.00 0.00 61.79 59.94 1cyl h SER 57 Cb 1.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1cyl h SER 57 CO 0.13 0.53 -0.28 -0.74 -0.53 0.00 0.00 176.83 175.94 1cyl h HIS 58 N -0.55 0.00 -0.11 2.24 2.76 -1.08 -2.47 115.15 115.93 1cyl h HIS 58 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1cyl h HIS 58 Cb 0.54 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1cyl h HIS 58 CO 0.11 0.28 -0.06 0.45 -1.30 0.00 0.00 177.93 177.41 1cyl h HIS 59 N 0.00 0.17 -1.42 5.26 -0.00 -1.02 -2.28 115.15 115.85 1cyl h HIS 59 Ca -0.00 -0.01 0.45 0.00 -0.00 0.00 0.00 60.37 60.81 1cyl h HIS 59 Cb 0.53 -0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 27.79 1cyl h HIS 59 CO 0.00 0.23 0.97 0.39 -0.00 0.00 0.00 177.93 179.52 1cyl n GLU 60 N -4.38 -0.02 0.00 2.45 1.02 -0.93 -4.27 120.64 114.51 1cyl n GLU 60 Ca -0.01 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 1cyl n GLU 60 Cb 0.19 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 1cyl n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cyl n LYS 61 N -4.13 2.27 0.00 3.49 4.76 -0.86 -4.89 118.16 118.81 1cyl n LYS 61 Ca 0.37 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1cyl n LYS 61 Cb 1.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.72 1cyl n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1cyl n ASP 62 N 0.00 0.00 -2.15 4.39 -0.08 -1.25 -4.42 116.55 113.04 1cyl n ASP 62 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cyl n ASP 62 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cyl n ASP 62 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1cyl n THR 63 N -2.00 0.00 0.00 5.18 -1.04 -1.26 -4.76 114.28 110.40 1cyl n THR 63 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cyl n THR 63 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1cyl n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1cyl n ARG 64 N -2.10 0.00 0.00 -2.82 5.12 -1.26 -4.43 116.66 111.16 1cyl n ARG 64 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1cyl n ARG 64 Cb 0.40 -0.14 0.47 0.00 -1.16 0.00 0.00 32.46 32.04 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cyl s LEU 66 N -1.54 4.60 0.00 0.00 1.43 -1.26 -4.64 118.68 117.27 1cyl s LEU 66 Ca 0.24 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1cyl s LEU 66 Cb 0.11 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1cyl s LEU 66 CO 0.18 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1cyl n GLY 67 N 4.75 -1.81 2.70 -3.19 0.00 -1.26 -4.56 105.19 101.82 1cyl n GLY 67 Ca -0.10 0.60 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 1.08 0.00 4.61 0.00 -1.26 -5.06 120.51 119.89 1cyl n ALA 68 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1cyl n ALA 68 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1cyl n ALA 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cyl n THR 69 N -0.60 0.00 -0.11 0.00 -1.04 -1.26 -4.15 114.28 107.12 1cyl n THR 69 Ca -0.04 0.00 0.27 0.00 -2.04 0.00 0.00 64.05 62.24 1cyl n THR 69 Cb 0.84 0.00 0.69 0.00 -1.82 0.00 0.00 70.33 70.04 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cyl h ALA 70 N 0.00 2.64 0.04 2.41 0.00 -2.00 0.92 119.26 123.27 1cyl h ALA 70 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cyl h ALA 70 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cyl h ALA 70 CO 0.00 -1.15 -0.02 0.37 0.00 0.00 0.00 179.25 178.45 1cyl h GLN 71 N 0.00 -0.06 -0.87 0.00 5.75 -2.00 -1.19 115.11 116.74 1cyl h GLN 71 Ca 0.38 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 59.08 1cyl h GLN 71 Cb 1.85 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 30.35 1cyl h GLN 71 CO -0.00 -0.01 0.58 1.96 -2.65 0.00 0.00 178.83 178.71 1cyl h GLN 72 N -0.09 0.39 -0.20 1.69 7.50 0.71 -0.97 115.11 124.14 1cyl h GLN 72 Ca -0.01 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.01 1cyl h GLN 72 Cb 0.08 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.52 1cyl h GLN 72 CO 0.01 0.26 -0.31 0.35 -1.50 0.00 0.00 178.83 177.64 1cyl h PHE 73 N 0.40 0.69 -0.30 2.96 3.04 -0.95 -3.28 116.94 119.51 1cyl h PHE 73 Ca 0.45 -0.23 -0.15 0.00 3.98 0.00 0.00 57.97 62.02 1cyl h PHE 73 Cb 1.11 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 1cyl h PHE 73 CO -0.00 0.96 -0.41 1.25 -2.02 0.00 0.00 178.31 178.08 1cyl h HIS 74 N 0.23 0.87 -0.50 0.41 2.76 -0.23 -3.25 115.15 115.44 1cyl h HIS 74 Ca 0.02 -0.26 0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1cyl h HIS 74 Cb 0.89 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.57 1cyl h HIS 74 CO 0.09 1.02 -0.14 0.00 -1.30 0.00 0.00 177.93 177.60 1cyl h ARG 75 N 0.59 -0.01 0.00 5.26 3.08 -1.29 0.25 114.38 122.26 1cyl h ARG 75 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1cyl h ARG 75 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1cyl h ARG 75 CO 0.09 -0.01 -0.01 1.12 -1.07 0.00 0.00 179.97 180.10 1cyl h HIS 76 N -0.01 0.00 -0.18 3.04 2.07 -1.63 -2.06 115.15 116.37 1cyl h HIS 76 Ca 0.24 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.66 1cyl h HIS 76 Cb 0.38 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.36 1cyl h HIS 76 CO -0.44 0.01 -0.27 1.57 -3.07 0.00 0.00 177.93 175.73 1cyl h LYS 77 N 0.00 0.50 0.04 5.12 5.09 -0.64 -0.35 116.57 126.33 1cyl h LYS 77 Ca -0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 60.65 60.44 1cyl h LYS 77 Cb 0.01 0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.37 1cyl h LYS 77 CO 0.00 0.90 -0.02 0.37 -2.09 0.00 0.00 179.45 178.61 1cyl h GLN 78 N 0.14 -0.06 -0.05 0.07 4.15 -0.71 -0.58 115.11 118.07 1cyl h GLN 78 Ca 0.02 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1cyl h GLN 78 Cb 0.85 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1cyl h GLN 78 CO 0.06 0.23 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.62 1cyl h LEU 79 N -0.34 0.15 -0.93 -2.39 3.38 -1.49 -2.55 115.31 111.15 1cyl h LEU 79 Ca -0.01 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1cyl h LEU 79 Cb 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1cyl h LEU 79 CO 0.01 0.63 -0.48 0.40 0.09 0.00 0.00 178.44 179.09 1cyl h ILE 80 N 0.11 1.34 0.03 1.22 2.04 -0.95 0.68 117.51 121.99 1cyl h ILE 80 Ca 0.00 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 1cyl h ILE 80 Cb 0.93 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1cyl h ILE 80 CO 0.07 0.49 -0.02 -0.09 0.00 0.00 0.00 178.15 178.61 1cyl h ARG 81 N 0.10 -0.04 0.00 2.37 1.12 -0.70 0.28 114.38 117.52 1cyl h ARG 81 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 1cyl h ARG 81 Cb 0.89 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1cyl h ARG 81 CO 0.07 0.23 -0.39 0.74 -3.11 0.00 0.00 179.97 177.51 1cyl h PHE 82 N -0.32 0.00 0.00 2.20 0.04 -1.39 -1.50 116.94 115.97 1cyl h PHE 82 Ca -0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1cyl h PHE 82 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1cyl h PHE 82 CO 0.02 0.39 -0.27 -0.07 -0.60 0.00 0.00 178.31 177.77 1cyl h LEU 83 N 0.00 0.00 -0.14 1.54 3.38 0.11 -2.56 115.31 117.63 1cyl h LEU 83 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1cyl h LEU 83 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1cyl h LEU 83 CO 0.05 0.27 -0.18 0.50 0.09 0.00 0.00 178.44 179.17 1cyl h LYS 84 N 0.00 0.37 -0.94 1.13 3.64 0.60 -2.29 116.57 119.08 1cyl h LYS 84 Ca -0.00 -0.21 0.24 0.00 -1.27 0.00 0.00 60.65 59.40 1cyl h LYS 84 Cb 0.49 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 1cyl h LYS 84 CO 0.04 0.78 0.63 -0.09 -2.27 0.00 0.00 179.45 178.54 1cyl h ARG 85 N -0.02 0.29 -0.30 1.90 1.12 -1.15 0.45 114.38 116.67 1cyl h ARG 85 Ca 0.02 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 1cyl h ARG 85 Cb 0.74 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.63 1cyl h ARG 85 CO 0.04 0.19 -0.45 1.25 -3.11 0.00 0.00 179.97 177.89 1cyl h LEU 86 N 0.29 0.85 -0.12 3.80 5.85 -1.28 -1.49 115.31 123.22 1cyl h LEU 86 Ca 0.49 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1cyl h LEU 86 Cb 1.41 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1cyl h LEU 86 CO -0.16 1.17 -0.13 -0.78 -0.34 0.00 0.00 178.44 178.20 1cyl h ASP 87 N 0.63 0.33 -0.30 1.25 3.58 0.41 -0.75 116.42 121.56 1cyl h ASP 87 Ca 0.04 -0.49 -0.14 0.00 0.42 0.00 0.00 57.03 56.86 1cyl h ASP 87 Cb 1.02 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.97 1cyl h ASP 87 CO 0.10 0.75 -0.34 -0.09 -2.88 0.00 0.00 179.24 176.78 1cyl h ARG 88 N -0.09 0.76 -0.30 0.28 2.43 -1.33 -3.22 114.38 112.91 1cyl h ARG 88 Ca 0.02 -0.42 -0.18 0.00 -0.81 0.00 0.00 59.98 58.59 1cyl h ARG 88 Cb 0.66 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1cyl h ARG 88 CO 0.03 1.04 -0.52 -0.97 -1.51 0.00 0.00 179.97 178.04 1cyl h ASN 89 N 0.52 0.98 -0.50 -3.80 -0.73 -1.33 -3.22 115.58 107.49 1cyl h ASN 89 Ca 0.04 -0.52 0.10 0.00 1.87 0.00 0.00 56.30 57.79 1cyl h ASN 89 Cb 0.92 -0.28 -0.10 0.00 0.27 0.00 0.00 38.32 39.14 1cyl h ASN 89 CO 0.08 1.32 -0.13 -0.07 -0.37 0.00 0.00 177.43 178.26 1cyl h LEU 90 N 0.68 -0.48 -1.35 0.34 3.38 -1.16 0.29 115.31 117.02 1cyl h LEU 90 Ca 0.02 0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.38 1cyl h LEU 90 Cb 1.13 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 42.11 1cyl h LEU 90 CO 0.12 -0.17 0.64 -0.50 0.09 0.00 0.00 178.44 178.62 1cyl h TRP 91 N -0.00 0.69 -0.25 1.13 -0.00 -1.56 0.28 115.95 116.23 1cyl h TRP 91 Ca 0.24 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 59.02 1cyl h TRP 91 Cb 0.37 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.16 29.32 1cyl h TRP 91 CO -0.43 0.11 -0.35 0.78 -0.00 0.00 0.00 178.44 178.55 1cyl h GLY 92 N 0.45 0.74 2.00 1.49 0.00 -0.56 -0.81 103.07 106.38 1cyl h GLY 92 Ca 0.56 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1cyl h GLY 92 CO -0.28 0.73 -0.07 -2.00 0.00 0.00 0.00 176.54 174.91 1cyl h LEU 93 N 0.40 0.00 0.00 3.11 7.12 0.56 -3.29 115.31 123.20 1cyl h LEU 93 Ca 0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1cyl h LEU 93 Cb 0.93 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1cyl h LEU 93 CO 0.08 0.07 -0.37 0.00 -0.13 0.00 0.00 178.44 178.09 1cyl n ALA 94 N -2.52 0.33 0.00 1.25 0.00 -0.26 -4.88 120.51 114.42 1cyl n ALA 94 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1cyl n ALA 94 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 1.65 1.22 3.99 0.00 0.00 -0.32 -4.91 105.19 106.81 1cyl n GLY 95 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 3.64 -0.33 0.99 2.96 -1.26 -5.02 118.68 119.66 1cyl s LEU 96 Ca 0.00 -0.14 0.14 0.00 -0.22 0.00 0.00 54.13 53.91 1cyl s LEU 96 Cb 0.00 -2.82 0.46 0.00 0.50 0.00 0.00 46.19 44.33 1cyl s LEU 96 CO 0.00 -0.76 1.07 -3.20 -1.32 0.00 0.00 176.35 172.14 1cyl n ASN 97 N -1.96 2.94 0.00 3.68 5.15 -1.26 -4.85 115.26 118.95 1cyl n ASN 97 Ca 0.05 -2.99 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 1cyl n ASN 97 Cb 0.59 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 1cyl n ASN 97 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1cyl n SER 98 N -0.42 0.52 -1.80 1.20 3.41 -1.26 -5.10 113.62 110.17 1cyl n SER 98 Ca 0.23 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1cyl n SER 98 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cyl n PRO 100 N 0.15 0.00 0.00 0.00 -0.04 -1.26 -4.40 135.00 129.44 1cyl n PRO 100 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1cyl n PRO 100 Cb 0.00 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1cyl n PRO 100 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cyl n VAL 101 N 0.00 0.00 -1.85 0.52 0.24 -1.26 -4.64 118.33 111.35 1cyl n VAL 101 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1cyl n VAL 101 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1cyl n VAL 101 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1cyl n LYS 102 N 0.00 -0.50 -3.64 7.34 3.00 -1.26 -5.07 118.16 118.02 1cyl n LYS 102 Ca 0.00 0.85 -0.01 0.00 -0.00 0.00 0.00 58.31 59.15 1cyl n LYS 102 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 35.03 32.46 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1cyl s GLU 103 N -1.89 0.58 0.03 1.64 2.56 -1.26 -5.03 118.70 115.32 1cyl s GLU 103 Ca 0.04 1.43 -0.02 0.00 0.00 0.00 0.00 54.97 56.43 1cyl s GLU 103 Cb -0.01 0.83 -0.27 0.00 2.00 0.00 0.00 34.13 36.68 1cyl s GLU 103 CO 0.19 -0.20 0.94 0.00 -0.56 0.00 0.00 175.26 175.64 1cyl h ALA 104 N 7.94 0.26 -1.43 6.30 0.00 -1.98 -3.45 119.26 126.90 1cyl h ALA 104 Ca -0.19 -1.06 -0.27 0.00 0.00 0.00 0.00 54.91 53.40 1cyl h ALA 104 Cb 1.11 0.19 0.15 0.00 0.00 0.00 0.00 17.79 19.24 1cyl h ALA 104 CO 0.10 1.13 -0.61 0.09 0.00 0.00 0.00 179.25 179.96 1cyl n ASN 105 N -3.44 -2.81 -3.71 0.00 4.13 -1.26 -4.93 115.26 103.23 1cyl n ASN 105 Ca -0.13 -0.28 -0.13 0.00 1.68 0.00 0.00 54.58 55.71 1cyl n ASN 105 Cb 1.03 -0.75 -0.09 0.00 -1.54 0.00 0.00 39.78 38.43 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1cyl s GLN 106 N -3.21 0.56 0.00 3.52 -2.07 -1.26 -3.90 119.66 113.30 1cyl s GLN 106 Ca 0.36 0.63 0.00 0.00 -1.82 0.00 0.00 55.36 54.54 1cyl s GLN 106 Cb -0.05 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1cyl s GLN 106 CO 0.39 -0.07 0.00 -1.13 -1.32 0.00 0.00 175.29 173.16 1cyl n SER 107 N 2.77 0.00 -4.52 12.60 3.41 -1.08 -4.76 113.62 122.04 1cyl n SER 107 Ca -0.14 -0.86 -0.33 0.00 -0.26 0.00 0.00 58.87 57.29 1cyl n SER 107 Cb 0.57 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 1cyl n SER 107 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cyl s THR 108 N -1.95 3.43 0.56 6.66 -4.23 -1.26 -1.38 115.64 117.47 1cyl s THR 108 Ca 0.00 -0.57 0.32 0.00 -1.18 0.00 0.00 61.69 60.25 1cyl s THR 108 Cb 0.00 -2.39 0.46 0.00 1.34 0.00 0.00 72.50 71.90 1cyl s THR 108 CO 0.00 0.58 1.82 0.25 -0.54 0.00 0.00 174.62 176.73 1cyl h LEU 109 N 5.52 0.00 -0.59 4.79 6.46 -1.27 0.94 115.31 131.16 1cyl h LEU 109 Ca -0.44 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.44 1cyl h LEU 109 Cb 1.17 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 41.00 1cyl h LEU 109 CO 0.53 0.00 -0.04 -0.08 -0.62 0.00 0.00 178.44 178.23 1cyl h GLU 110 N 0.00 0.08 0.00 1.25 4.22 -1.76 0.80 114.58 119.17 1cyl h GLU 110 Ca 0.39 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.78 1cyl h GLU 110 Cb 1.77 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 1cyl h GLU 110 CO -0.00 0.05 -0.24 -0.97 -2.18 0.00 0.00 179.01 175.67 1cyl h ASN 111 N 0.08 0.00 -0.49 1.04 -1.24 -1.13 -1.34 115.58 112.51 1cyl h ASN 111 Ca 0.30 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.24 1cyl h ASN 111 Cb 0.49 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1cyl h ASN 111 CO -0.54 0.24 -0.00 0.15 -1.29 0.00 0.00 177.43 175.99 1cyl h PHE 112 N 0.00 0.94 -0.11 0.67 3.04 0.61 0.48 116.94 122.57 1cyl h PHE 112 Ca -0.00 -0.16 -0.15 0.00 3.98 0.00 0.00 57.97 61.63 1cyl h PHE 112 Cb 0.47 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1cyl h PHE 112 CO 0.00 0.89 -0.59 -0.07 -2.02 0.00 0.00 178.31 176.51 1cyl h LEU 113 N 0.72 0.40 0.01 0.59 3.38 -0.56 0.18 115.31 120.02 1cyl h LEU 113 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1cyl h LEU 113 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cyl h LEU 113 CO 0.03 0.90 -0.00 -0.08 0.09 0.00 0.00 178.44 179.37 1cyl h GLU 114 N 0.26 -0.01 0.09 1.13 4.57 -0.95 -1.60 114.58 118.08 1cyl h GLU 114 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1cyl h GLU 114 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1cyl h GLU 114 CO 0.10 0.53 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.33 1cyl h ARG 115 N -0.56 -0.12 -0.52 1.92 2.43 -0.05 -0.74 114.38 116.74 1cyl h ARG 115 Ca -0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1cyl h ARG 115 Cb 0.55 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1cyl h ARG 115 CO 0.00 0.12 0.17 1.25 -1.51 0.00 0.00 179.97 180.01 1cyl h LEU 116 N -0.36 0.16 -1.25 3.80 5.85 -0.72 0.50 115.31 123.29 1cyl h LEU 116 Ca -0.01 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1cyl h LEU 116 Cb 0.30 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1cyl h LEU 116 CO 0.02 0.11 -0.02 0.50 -0.34 0.00 0.00 178.44 178.71 1cyl h LYS 117 N 0.34 0.48 -0.90 1.25 1.63 -1.12 -1.89 116.57 116.36 1cyl h LYS 117 Ca 0.25 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1cyl h LYS 117 Cb 0.29 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 1cyl h LYS 117 CO -0.27 0.52 0.57 1.15 -3.45 0.00 0.00 179.45 177.97 1cyl h THR 118 N 0.46 1.24 0.03 1.00 2.02 0.62 -1.20 112.91 117.08 1cyl h THR 118 Ca 0.10 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1cyl h THR 118 Cb 0.34 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1cyl h THR 118 CO 0.01 0.25 -0.01 0.40 0.37 0.00 0.00 175.52 176.53 1cyl h ILE 119 N 1.24 1.33 -0.82 3.11 1.08 -0.62 -2.97 117.51 119.85 1cyl h ILE 119 Ca 0.33 -1.16 0.21 0.00 -0.39 0.00 0.00 64.86 63.84 1cyl h ILE 119 Cb -0.09 2.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.71 1cyl h ILE 119 CO -0.07 0.29 0.57 0.24 -0.69 0.00 0.00 178.15 178.50 1cyl h MET 120 N -0.55 0.20 -0.64 2.37 2.86 -1.10 0.35 114.93 118.42 1cyl h MET 120 Ca -0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1cyl h MET 120 Cb 0.51 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1cyl h MET 120 CO 0.01 0.13 0.20 0.00 1.06 0.00 0.00 176.91 178.31 1cyl h ARG 121 N 0.21 0.99 -0.30 1.72 -0.00 -1.07 0.75 114.38 116.67 1cyl h ARG 121 Ca 0.41 -0.21 -0.16 0.00 -0.50 0.00 0.00 59.98 59.52 1cyl h ARG 121 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 31.11 1cyl h ARG 121 CO -0.09 0.87 -0.44 0.93 0.00 0.00 0.00 179.97 181.24 1cyl h GLU 122 N 0.91 0.83 0.00 0.04 5.08 -0.28 -1.97 114.58 119.20 1cyl h GLU 122 Ca 0.20 -0.49 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 1cyl h GLU 122 Cb 0.29 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1cyl h GLU 122 CO -0.01 1.13 -0.52 -0.22 -1.00 0.00 0.00 179.01 178.39 1cyl h LYS 123 N 0.60 0.00 -0.33 2.33 3.11 -1.04 -2.99 116.57 118.25 1cyl h LYS 123 Ca 0.03 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.70 1cyl h LYS 123 Cb 1.04 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.27 1cyl h LYS 123 CO 0.10 0.52 -0.44 -0.92 -2.81 0.00 0.00 179.45 175.90 1cyl h TYR 124 N 0.00 1.09 -0.51 1.91 3.20 -0.74 2.12 116.97 124.04 1cyl h TYR 124 Ca -0.01 -0.35 0.15 0.00 3.14 0.00 0.00 58.73 61.66 1cyl h TYR 124 Cb 0.92 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1cyl h TYR 124 CO 0.00 1.18 0.37 1.03 -1.64 0.00 0.00 178.16 179.10 1cyl h SER 125 N 0.69 0.02 0.00 -2.11 0.87 -1.20 -3.32 113.55 108.50 1cyl h SER 125 Ca 0.04 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 1cyl h SER 125 Cb 1.04 -0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.86 1cyl h SER 125 CO 0.10 0.01 -0.39 0.29 -0.53 0.00 0.00 176.83 176.31 1cyl n LYS 126 N -4.39 0.96 -0.19 2.24 4.01 -1.08 -4.78 118.16 114.93 1cyl n LYS 126 Ca 0.09 -1.83 -0.07 0.00 -0.51 0.00 0.00 58.31 55.99 1cyl n LYS 126 Cb 0.57 -0.91 0.07 0.00 -0.51 0.00 0.00 35.03 34.26 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cyl s SER 128 N -6.57 6.94 0.00 0.00 0.01 -1.26 -5.04 113.70 107.78 1cyl s SER 128 Ca -0.11 1.11 0.31 0.00 1.31 0.00 0.00 55.95 58.57 1cyl s SER 128 Cb 0.14 -2.34 1.62 0.00 0.21 0.00 0.00 66.02 65.65 1cyl s SER 128 CO 0.84 0.13 2.07 -0.24 0.41 0.00 0.00 173.24 176.45