#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyl n LYS 2 N 0.00 -2.71 -4.06 1.57 4.81 -1.25 -4.90 118.16 111.62 1cyl n LYS 2 Ca 0.00 2.18 -0.23 0.00 -0.87 0.00 0.00 58.31 59.39 1cyl n LYS 2 Cb 0.00 -3.28 -0.06 0.00 0.02 0.00 0.00 35.03 31.71 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl s ASP 4 N -3.87 5.67 0.38 0.00 1.01 -1.26 -5.00 116.67 113.61 1cyl s ASP 4 Ca 0.39 -0.37 0.14 0.00 0.71 0.00 0.00 52.55 53.41 1cyl s ASP 4 Cb -0.02 -0.93 0.76 0.00 1.01 0.00 0.00 42.92 43.74 1cyl s ASP 4 CO 0.23 -0.56 1.84 0.40 0.21 0.00 0.00 175.17 177.29 1cyl h ILE 5 N 0.86 1.22 -0.48 0.77 5.03 -2.02 -3.05 117.51 119.85 1cyl h ILE 5 Ca -0.43 -1.23 0.10 0.00 -0.12 0.00 0.00 64.86 63.18 1cyl h ILE 5 Cb 1.27 1.67 -0.09 0.00 -3.03 0.00 0.00 36.82 36.63 1cyl h ILE 5 CO 0.51 0.35 -0.14 0.74 -0.68 0.00 0.00 178.15 178.93 1cyl h THR 6 N 0.00 0.49 -0.46 -0.27 2.02 -2.00 -1.80 112.91 110.89 1cyl h THR 6 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1cyl h THR 6 Cb 0.64 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1cyl h THR 6 CO 0.05 0.00 0.06 0.25 0.37 0.00 0.00 175.52 176.25 1cyl h LEU 7 N -0.02 -0.06 -1.77 2.58 6.46 -1.94 0.15 115.31 120.72 1cyl h LEU 7 Ca 0.23 0.09 0.18 0.00 -0.12 0.00 0.00 57.88 58.26 1cyl h LEU 7 Cb 0.38 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1cyl h LEU 7 CO -0.51 0.00 0.50 1.56 -0.62 0.00 0.00 178.44 179.37 1cyl h GLN 8 N 0.19 0.21 -0.12 1.25 4.20 -1.47 -0.24 115.11 119.13 1cyl h GLN 8 Ca 0.23 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.85 1cyl h GLN 8 Cb 0.31 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1cyl h GLN 8 CO -0.32 0.14 -0.22 0.93 -0.67 0.00 0.00 178.83 178.68 1cyl h GLU 9 N 0.22 0.37 -0.07 1.46 5.08 -0.51 -3.12 114.58 118.00 1cyl h GLU 9 Ca 0.36 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1cyl h GLU 9 Cb 1.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1cyl h GLU 9 CO -0.07 0.82 -0.04 0.82 -1.00 0.00 0.00 179.01 179.54 1cyl h ILE 10 N -0.04 0.88 -0.87 3.13 1.08 0.20 -1.29 117.51 120.59 1cyl h ILE 10 Ca 0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.65 1cyl h ILE 10 Cb 0.80 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 35.36 1cyl h ILE 10 CO 0.05 0.00 0.57 0.40 -0.69 0.00 0.00 178.15 178.48 1cyl h ILE 11 N -0.04 0.76 -0.89 -0.67 2.04 -1.49 0.19 117.51 117.41 1cyl h ILE 11 Ca 0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1cyl h ILE 11 Cb 0.10 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1cyl h ILE 11 CO -0.09 0.10 0.55 0.11 0.00 0.00 0.00 178.15 178.81 1cyl h LYS 12 N 0.53 1.20 0.00 2.37 1.57 -1.18 -1.14 116.57 119.92 1cyl h LYS 12 Ca 0.45 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1cyl h LYS 12 Cb 0.93 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1cyl h LYS 12 CO -0.19 0.83 -0.00 1.15 -0.57 0.00 0.00 179.45 180.67 1cyl h THR 13 N 1.22 1.40 -0.78 -0.16 2.02 -0.36 -2.22 112.91 114.03 1cyl h THR 13 Ca 0.32 -1.19 0.18 0.00 0.77 0.00 0.00 66.41 66.49 1cyl h THR 13 Cb -0.07 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 1cyl h THR 13 CO -0.06 0.31 0.53 -0.07 0.37 0.00 0.00 175.52 176.59 1cyl h LEU 14 N -0.51 0.30 -0.00 2.58 4.07 -1.08 -1.43 115.31 119.23 1cyl h LEU 14 Ca -0.00 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1cyl h LEU 14 Cb 0.51 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1cyl h LEU 14 CO 0.00 0.14 -0.01 0.78 -1.08 0.00 0.00 178.44 178.27 1cyl h ASN 15 N 0.31 0.01 -0.35 -0.43 -0.26 -1.04 -3.21 115.58 110.62 1cyl h ASN 15 Ca 0.39 -0.54 0.07 0.00 -0.56 0.00 0.00 56.30 55.66 1cyl h ASN 15 Cb 1.06 -0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.25 1cyl h ASN 15 CO -0.11 0.55 -0.10 0.28 -1.06 0.00 0.00 177.43 177.00 1cyl h SER 16 N -0.53 -0.36 -0.91 5.81 0.02 -0.64 0.89 113.55 117.83 1cyl h SER 16 Ca 0.00 0.11 0.25 0.00 -0.84 0.00 0.00 61.79 61.31 1cyl h SER 16 Cb 0.55 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1cyl h SER 16 CO 0.00 -0.13 0.64 -0.07 -1.14 0.00 0.00 176.83 176.13 1cyl h LEU 17 N -0.02 0.14 -0.14 5.07 3.38 -1.53 0.81 115.31 123.03 1cyl h LEU 17 Ca 0.17 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1cyl h LEU 17 Cb 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1cyl h LEU 17 CO -0.37 0.05 -0.15 0.71 0.09 0.00 0.00 178.44 178.76 1cyl h THR 18 N 0.13 1.35 -0.14 0.22 1.35 -0.84 -2.75 112.91 112.24 1cyl h THR 18 Ca 0.45 -1.33 0.04 0.00 -0.55 0.00 0.00 66.41 65.02 1cyl h THR 18 Cb 1.57 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.89 1cyl h THR 18 CO -0.07 0.39 0.10 -0.08 -0.25 0.00 0.00 175.52 175.61 1cyl h GLU 19 N -0.03 0.00 -4.42 4.72 4.81 -0.45 -3.31 114.58 115.90 1cyl h GLU 19 Ca 0.02 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.55 1cyl h GLU 19 Cb 0.69 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.74 1cyl h GLU 19 CO 0.04 0.00 -0.50 -0.65 -0.73 0.00 0.00 179.01 177.16 1cyl s GLN 20 N -5.02 2.13 -0.36 1.92 -0.21 -0.51 -4.92 119.66 112.69 1cyl s GLN 20 Ca -0.05 -1.83 -0.03 0.00 0.02 0.00 0.00 55.36 53.48 1cyl s GLN 20 Cb 0.17 -3.67 0.24 0.00 1.00 0.00 0.00 33.01 30.75 1cyl s GLN 20 CO 0.67 -1.11 1.11 1.17 -2.12 0.00 0.00 175.29 175.02 1cyl n LYS 21 N 4.64 0.21 0.00 2.91 4.81 -1.25 -4.72 118.16 124.76 1cyl n LYS 21 Ca -0.03 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.48 1cyl n LYS 21 Cb 0.41 -0.29 0.00 0.00 0.02 0.00 0.00 35.03 35.17 1cyl n LYS 21 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1cyl n THR 22 N 2.08 0.00 -1.12 3.15 -2.24 -1.26 -4.61 114.28 110.27 1cyl n THR 22 Ca 0.08 0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.94 1cyl n THR 22 Cb 0.66 -0.11 0.25 0.00 -2.10 0.00 0.00 70.33 69.03 1cyl n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cyl n LEU 23 N -0.43 4.26 -0.05 3.22 4.77 -1.26 -4.69 117.00 122.82 1cyl n LEU 23 Ca 0.00 -3.24 -0.04 0.00 -0.03 0.00 0.00 56.01 52.70 1cyl n LEU 23 Cb 0.00 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1cyl n LEU 23 CO 0.00 0.84 -0.29 0.00 -1.33 0.00 0.00 177.39 176.61 1cyl n THR 25 N -3.69 0.00 0.00 0.00 5.66 -1.26 -2.30 114.28 112.68 1cyl n THR 25 Ca -0.06 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1cyl n THR 25 Cb 0.22 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 1cyl n THR 25 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1cyl n GLU 26 N 2.03 0.00 -0.81 1.09 2.13 -1.26 -4.87 120.64 118.95 1cyl n GLU 26 Ca -0.01 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.46 1cyl n GLU 26 Cb 0.59 -0.34 0.11 0.00 0.27 0.00 0.00 31.44 32.07 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1cyl n LEU 27 N 0.00 -2.65 -4.90 4.31 4.77 -0.97 -4.42 117.00 113.14 1cyl n LEU 27 Ca 0.00 -0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.58 1cyl n LEU 27 Cb 0.00 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 1cyl n LEU 27 CO 0.00 -2.91 -0.11 0.42 -1.33 0.00 0.00 177.39 173.46 1cyl s THR 28 N -2.14 5.37 0.35 -5.08 -4.23 -1.26 -0.88 115.64 107.78 1cyl s THR 28 Ca 0.48 -0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1cyl s THR 28 Cb -0.03 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.29 1cyl s THR 28 CO 0.66 0.31 0.62 0.52 -0.54 0.00 0.00 174.62 176.20 1cyl n VAL 29 N 0.92 0.00 -2.65 2.29 0.31 -0.67 -4.67 118.33 113.87 1cyl n VAL 29 Ca -0.10 -1.22 -0.42 0.00 -0.01 0.00 0.00 64.34 62.59 1cyl n VAL 29 Cb 0.53 0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 34.39 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 -2.42 4.04 -0.63 2.52 2.01 -1.26 -3.17 115.64 116.73 1cyl s THR 30 Ca 0.20 0.53 -0.26 0.00 0.31 0.00 0.00 61.69 62.46 1cyl s THR 30 Cb -0.03 -4.74 -0.06 0.00 0.01 0.00 0.00 72.50 67.68 1cyl s THR 30 CO 0.14 -1.45 2.18 -0.62 -0.69 0.00 0.00 174.62 174.19 1cyl s ASP 31 N 3.21 4.68 -0.12 3.53 2.15 -1.26 -4.79 116.67 124.07 1cyl s ASP 31 Ca 0.36 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1cyl s ASP 31 Cb -0.09 -2.52 0.12 0.00 -0.30 0.00 0.00 42.92 40.12 1cyl s ASP 31 CO 0.20 -2.88 1.66 2.30 -0.17 0.00 0.00 175.17 176.28 1cyl n ILE 32 N 7.87 1.97 -2.29 4.11 -5.35 -1.26 -3.99 119.36 120.43 1cyl n ILE 32 Ca 0.34 -0.76 -0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1cyl n ILE 32 Cb 0.51 -1.19 0.07 0.00 -1.74 0.00 0.00 39.64 37.29 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 0.62 0.66 -3.01 4.28 3.72 -1.26 -4.85 117.46 117.62 1cyl n PHE 33 Ca 0.13 -1.35 -0.15 0.00 -0.05 0.00 0.00 57.45 56.03 1cyl n PHE 33 Cb 0.63 -0.22 0.01 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.31 0.91 -2.67 4.37 0.00 -1.26 -4.92 120.51 116.63 1cyl n ALA 34 Ca 0.15 -2.63 -0.03 0.00 0.00 0.00 0.00 53.44 50.92 1cyl n ALA 34 Cb 0.93 -1.02 0.04 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 0.55 -3.71 -3.76 0.00 0.00 -1.26 -4.96 120.51 107.36 1cyl n ALA 35 Ca 0.17 -0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.38 1cyl n ALA 35 Cb 0.65 -3.24 0.03 0.00 0.00 0.00 0.00 19.45 16.89 1cyl n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cyl n SER 36 N 2.47 -1.99 -0.06 0.00 3.41 -1.26 -4.81 113.62 111.39 1cyl n SER 36 Ca 0.11 -0.82 0.05 0.00 -0.26 0.00 0.00 58.87 57.95 1cyl n SER 36 Cb 0.65 -3.99 0.26 0.00 -0.26 0.00 0.00 64.21 60.87 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1cyl n LYS 37 N -4.38 1.07 0.00 4.33 4.81 -1.26 -3.59 118.16 119.14 1cyl n LYS 37 Ca -0.22 -0.11 0.07 0.00 -0.87 0.00 0.00 58.31 57.18 1cyl n LYS 37 Cb 0.64 -1.15 0.38 0.00 0.02 0.00 0.00 35.03 34.92 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 -0.54 0.00 -3.77 3.14 5.15 -1.26 -4.78 115.26 113.20 1cyl n ASN 38 Ca 0.07 0.09 -0.28 0.00 -0.60 0.00 0.00 54.58 53.86 1cyl n ASN 38 Cb 0.06 -0.29 0.26 0.00 -0.53 0.00 0.00 39.78 39.27 1cyl n ASN 38 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1cyl n THR 39 N -1.29 0.00 -1.57 -0.44 5.66 -1.24 -4.87 114.28 110.53 1cyl n THR 39 Ca 0.07 -0.19 -0.37 0.00 -3.05 0.00 0.00 64.05 60.50 1cyl n THR 39 Cb 0.12 -0.88 0.06 0.00 -1.55 0.00 0.00 70.33 68.08 1cyl n THR 39 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1cyl n THR 40 N -5.28 3.59 -0.23 1.09 -1.04 -1.26 -4.76 114.28 106.39 1cyl n THR 40 Ca 0.08 -0.48 -0.01 0.00 -2.04 0.00 0.00 64.05 61.59 1cyl n THR 40 Cb 0.55 -1.11 0.11 0.00 -1.82 0.00 0.00 70.33 68.05 1cyl n THR 40 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1cyl h GLU 41 N 0.30 0.63 -0.79 -2.82 4.39 -1.91 0.65 114.58 115.02 1cyl h GLU 41 Ca -0.48 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.37 1cyl h GLU 41 Cb 1.36 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 1cyl h GLU 41 CO 0.50 0.42 0.54 1.57 -1.16 0.00 0.00 179.01 180.88 1cyl h LYS 42 N 0.65 0.25 -0.20 2.33 2.10 -1.89 -0.04 116.57 119.78 1cyl h LYS 42 Ca 0.31 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.85 1cyl h LYS 42 Cb 0.23 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1cyl h LYS 42 CO -0.20 0.17 -0.23 1.49 -2.00 0.00 0.00 179.45 178.68 1cyl h GLU 43 N 0.26 0.51 0.00 0.07 4.57 -1.20 -2.46 114.58 116.33 1cyl h GLU 43 Ca 0.39 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1cyl h GLU 43 Cb 1.15 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1cyl h GLU 43 CO -0.10 0.86 -0.03 0.00 -1.18 0.00 0.00 179.01 178.57 1cyl h THR 44 N 0.18 0.96 0.00 0.32 1.03 -0.73 0.24 112.91 114.91 1cyl h THR 44 Ca 0.03 -0.10 -0.11 0.00 -0.01 0.00 0.00 66.41 66.23 1cyl h THR 44 Cb 0.78 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1cyl h THR 44 CO 0.05 0.03 -0.50 -0.26 -0.01 0.00 0.00 175.52 174.83 1cyl h PHE 45 N 0.00 0.00 0.09 0.00 -1.00 -0.96 -0.61 116.94 114.47 1cyl h PHE 45 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cyl h PHE 45 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1cyl h PHE 45 CO 0.00 0.50 -0.05 0.00 -1.61 0.00 0.00 178.31 177.16 1cyl h ARG 47 N -0.47 0.42 0.00 0.00 2.43 -1.54 -3.05 114.38 112.16 1cyl h ARG 47 Ca -0.01 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1cyl h ARG 47 Cb 0.40 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1cyl h ARG 47 CO 0.02 0.87 -0.49 0.00 -1.51 0.00 0.00 179.97 178.87 1cyl h ALA 48 N 1.07 1.13 -0.19 2.80 0.00 -1.07 -2.82 119.26 120.17 1cyl h ALA 48 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1cyl h ALA 48 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1cyl h ALA 48 CO 0.10 0.61 -0.45 0.00 0.00 0.00 0.00 179.25 179.51 1cyl h ALA 49 N 1.51 0.87 -0.12 0.00 0.00 -0.82 -1.89 119.26 118.81 1cyl h ALA 49 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1cyl h ALA 49 Cb 0.90 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cyl h ALA 49 CO 0.06 0.65 -0.46 1.15 0.00 0.00 0.00 179.25 180.65 1cyl h THR 50 N 0.39 1.33 0.09 0.00 2.02 -1.43 -0.79 112.91 114.51 1cyl h THR 50 Ca 0.03 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.56 1cyl h THR 50 Cb 0.94 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1cyl h THR 50 CO 0.08 0.49 -0.04 0.58 0.37 0.00 0.00 175.52 177.00 1cyl h VAL 51 N 0.23 1.16 0.00 3.16 2.07 -1.26 -1.50 116.25 120.11 1cyl h VAL 51 Ca 0.02 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1cyl h VAL 51 Cb 0.90 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1cyl h VAL 51 CO 0.07 0.27 -0.08 0.17 0.02 0.00 0.00 177.57 178.02 1cyl h LEU 52 N -0.68 0.00 -0.03 2.57 8.10 -1.36 -0.35 115.31 123.56 1cyl h LEU 52 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1cyl h LEU 52 Cb 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1cyl h LEU 52 CO 0.02 0.08 0.01 -0.09 -4.11 0.00 0.00 178.44 174.36 1cyl h ARG 53 N 0.00 0.04 0.00 0.17 2.43 -0.96 -2.76 114.38 113.31 1cyl h ARG 53 Ca -0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1cyl h ARG 53 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1cyl h ARG 53 CO 0.01 0.16 -0.42 1.96 -1.51 0.00 0.00 179.97 180.17 1cyl h GLN 54 N -0.08 0.00 0.21 0.20 4.20 -0.42 -3.10 115.11 116.12 1cyl h GLN 54 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1cyl h GLN 54 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1cyl h GLN 54 CO -0.00 0.42 -0.10 0.35 -0.67 0.00 0.00 178.83 178.83 1cyl h PHE 55 N 0.00 -0.26 -0.17 2.96 3.57 -0.84 -1.95 116.94 120.25 1cyl h PHE 55 Ca -0.00 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1cyl h PHE 55 Cb 0.85 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1cyl h PHE 55 CO 0.00 0.13 -0.70 0.10 -2.23 0.00 0.00 178.31 175.61 1cyl h TYR 56 N -0.78 0.94 -0.13 0.41 -0.00 -1.61 -1.28 116.97 114.53 1cyl h TYR 56 Ca -0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 58.73 58.25 1cyl h TYR 56 Cb 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 1cyl h TYR 56 CO 0.06 1.20 -0.15 0.77 -0.00 0.00 0.00 178.16 180.04 1cyl h SER 57 N 0.51 0.37 0.53 0.10 0.02 -1.66 -3.17 113.55 110.25 1cyl h SER 57 Ca -0.03 -0.50 -0.10 0.00 -0.84 0.00 0.00 61.79 60.32 1cyl h SER 57 Cb 1.31 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1cyl h SER 57 CO 0.14 0.79 -0.49 -0.74 -1.14 0.00 0.00 176.83 175.39 1cyl h HIS 58 N -0.05 0.00 0.00 3.45 2.76 -1.43 -2.96 115.15 116.92 1cyl h HIS 58 Ca 0.02 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1cyl h HIS 58 Cb 0.70 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1cyl h HIS 58 CO 0.09 0.49 -0.19 0.45 -1.30 0.00 0.00 177.93 177.47 1cyl h HIS 59 N 0.00 0.00 -0.58 5.26 -0.00 -1.21 -3.14 115.15 115.48 1cyl h HIS 59 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 1cyl h HIS 59 Cb 0.89 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.22 1cyl h HIS 59 CO 0.00 0.19 -0.42 0.93 -0.00 0.00 0.00 177.93 178.63 1cyl h GLU 60 N 0.00 -0.09 -3.68 2.45 5.08 -1.49 -3.23 114.58 113.61 1cyl h GLU 60 Ca -0.00 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 1cyl h GLU 60 Cb 0.34 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 29.22 1cyl h GLU 60 CO 0.03 -0.06 -0.61 0.15 -1.00 0.00 0.00 179.01 177.51 1cyl s LYS 61 N -4.85 1.97 0.00 2.33 1.02 -1.19 -4.78 119.74 114.24 1cyl s LYS 61 Ca -0.09 -2.46 0.00 0.00 0.02 0.00 0.00 55.97 53.44 1cyl s LYS 61 Cb 0.07 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1cyl s LYS 61 CO 0.45 -1.09 0.50 -3.47 -0.92 0.00 0.00 175.35 170.82 1cyl n ASP 62 N 3.40 -0.35 -2.36 2.83 2.03 -1.22 -4.96 116.55 115.93 1cyl n ASP 62 Ca 0.05 -1.00 -0.02 0.00 0.52 0.00 0.00 54.79 54.34 1cyl n ASP 62 Cb 0.35 0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1cyl n ASP 62 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1cyl n THR 63 N 0.00 -0.10 -3.65 5.18 -1.04 -1.26 -4.82 114.28 108.58 1cyl n THR 63 Ca -0.10 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.53 1cyl n THR 63 Cb 0.44 -0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 68.52 1cyl n THR 63 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1cyl s ARG 64 N -4.75 2.44 -0.05 -2.82 3.52 -1.26 -4.47 118.95 111.56 1cyl s ARG 64 Ca 0.00 -2.04 0.00 0.00 -0.13 0.00 0.00 55.73 53.56 1cyl s ARG 64 Cb 0.00 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1cyl s ARG 64 CO 0.00 -1.16 0.00 0.00 -0.81 0.00 0.00 175.30 173.33 1cyl h LEU 66 N 0.00 -1.91 0.00 0.00 -0.00 -1.88 -3.43 115.31 108.09 1cyl h LEU 66 Ca -0.01 0.28 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1cyl h LEU 66 Cb 0.12 0.83 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1cyl h LEU 66 CO 0.01 -0.26 0.00 0.61 -0.00 0.00 0.00 178.44 178.80 1cyl n GLY 67 N -1.26 0.79 0.59 0.83 0.00 -1.26 -3.92 105.19 100.96 1cyl n GLY 67 Ca 0.00 -0.62 0.39 0.00 0.00 0.00 0.00 46.02 45.79 1cyl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyl h ALA 68 N 0.00 3.28 -2.12 4.61 0.00 -1.96 -3.33 119.26 119.75 1cyl h ALA 68 Ca 0.00 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 1cyl h ALA 68 Cb 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 1cyl h ALA 68 CO 0.00 -1.87 0.51 0.99 0.00 0.00 0.00 179.25 178.88 1cyl s THR 69 N -4.71 4.67 0.56 0.00 2.01 -1.26 -4.88 115.64 112.02 1cyl s THR 69 Ca -0.04 1.16 0.34 0.00 0.31 0.00 0.00 61.69 63.47 1cyl s THR 69 Cb 0.21 -4.26 0.51 0.00 0.01 0.00 0.00 72.50 68.96 1cyl s THR 69 CO 0.71 -0.43 1.79 0.00 -0.69 0.00 0.00 174.62 175.99 1cyl h ALA 70 N 8.34 2.93 0.01 7.40 0.00 -1.97 0.38 119.26 136.36 1cyl h ALA 70 Ca -0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1cyl h ALA 70 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1cyl h ALA 70 CO 0.94 -1.34 -0.01 1.96 0.00 0.00 0.00 179.25 180.81 1cyl h GLN 71 N 0.00 -0.02 -0.24 0.00 1.08 -1.90 -2.97 115.11 111.07 1cyl h GLN 71 Ca 0.49 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.76 1cyl h GLN 71 Cb 2.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.52 1cyl h GLN 71 CO -0.01 0.51 0.18 0.37 -0.95 0.00 0.00 178.83 178.93 1cyl h GLN 72 N -0.55 0.00 -0.69 1.46 4.15 -0.60 -0.47 115.11 118.42 1cyl h GLN 72 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1cyl h GLN 72 Cb 0.53 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1cyl h GLN 72 CO 0.00 0.00 0.45 0.35 -1.93 0.00 0.00 178.83 177.71 1cyl h PHE 73 N 0.00 0.77 -0.90 3.99 3.57 -0.98 -0.92 116.94 122.48 1cyl h PHE 73 Ca 0.11 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1cyl h PHE 73 Cb 0.46 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1cyl h PHE 73 CO 0.00 0.44 0.59 1.25 -2.23 0.00 0.00 178.31 178.36 1cyl h HIS 74 N 0.80 1.09 -0.00 0.41 2.76 -1.10 0.99 115.15 120.09 1cyl h HIS 74 Ca 0.28 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.37 1cyl h HIS 74 Cb 0.11 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1cyl h HIS 74 CO -0.00 0.63 -0.52 -0.09 -1.30 0.00 0.00 177.93 176.64 1cyl h ARG 75 N 1.12 0.00 0.08 5.26 2.43 -1.28 -1.39 114.38 120.61 1cyl h ARG 75 Ca 0.36 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1cyl h ARG 75 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1cyl h ARG 75 CO -0.11 0.53 -0.04 1.25 -1.51 0.00 0.00 179.97 180.09 1cyl h HIS 76 N 0.00 -0.10 -0.09 2.20 2.76 -0.04 -1.75 115.15 118.13 1cyl h HIS 76 Ca -0.01 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1cyl h HIS 76 Cb 0.93 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1cyl h HIS 76 CO 0.00 0.16 -0.52 0.87 -1.30 0.00 0.00 177.93 177.14 1cyl h LYS 77 N -0.36 0.26 -0.28 5.26 1.57 -1.24 -3.00 116.57 118.78 1cyl h LYS 77 Ca -0.01 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1cyl h LYS 77 Cb 0.30 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1cyl h LYS 77 CO 0.02 0.72 -0.34 0.37 -0.57 0.00 0.00 179.45 179.64 1cyl h GLN 78 N 0.20 0.72 0.05 3.15 4.15 -1.16 -1.44 115.11 120.78 1cyl h GLN 78 Ca 0.01 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1cyl h GLN 78 Cb 0.98 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1cyl h GLN 78 CO 0.08 1.02 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.91 1cyl h LEU 79 N 0.46 -0.05 -0.77 -2.39 4.07 -1.36 -1.50 115.31 113.75 1cyl h LEU 79 Ca 0.04 -0.50 0.07 0.00 0.08 0.00 0.00 57.88 57.56 1cyl h LEU 79 Cb 0.92 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.62 1cyl h LEU 79 CO 0.08 0.49 0.45 0.16 -1.08 0.00 0.00 178.44 178.55 1cyl h ILE 80 N -0.63 0.98 -0.39 1.22 3.07 -1.63 0.41 117.51 120.54 1cyl h ILE 80 Ca -0.01 -0.28 0.08 0.00 1.55 0.00 0.00 64.86 66.20 1cyl h ILE 80 Cb 0.55 0.09 -0.08 0.00 -0.27 0.00 0.00 36.82 37.12 1cyl h ILE 80 CO 0.01 0.15 -0.11 -0.09 -1.05 0.00 0.00 178.15 177.06 1cyl h ARG 81 N 0.82 -0.02 0.00 0.16 2.43 -1.16 0.61 114.38 117.23 1cyl h ARG 81 Ca 0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1cyl h ARG 81 Cb 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1cyl h ARG 81 CO -0.19 -0.01 -0.23 0.74 -1.51 0.00 0.00 179.97 178.76 1cyl h PHE 82 N -0.02 0.00 0.06 2.20 -1.00 0.02 -2.07 116.94 116.13 1cyl h PHE 82 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1cyl h PHE 82 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1cyl h PHE 82 CO -0.36 0.23 -0.06 -0.07 -1.61 0.00 0.00 178.31 176.44 1cyl h LEU 83 N 0.00 -0.15 -0.74 1.54 3.38 0.44 -1.64 115.31 118.15 1cyl h LEU 83 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1cyl h LEU 83 Cb 0.44 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1cyl h LEU 83 CO 0.03 -0.09 0.44 0.50 0.09 0.00 0.00 178.44 179.41 1cyl h LYS 84 N -0.13 0.80 -0.88 1.13 3.11 -0.65 0.42 116.57 120.37 1cyl h LYS 84 Ca 0.00 -0.05 0.19 0.00 -2.81 0.00 0.00 60.65 57.98 1cyl h LYS 84 Cb 0.12 -0.18 -0.06 0.00 -1.00 0.00 0.00 32.23 31.11 1cyl h LYS 84 CO -0.01 0.53 0.58 -0.09 -2.81 0.00 0.00 179.45 177.64 1cyl h ARG 85 N 0.82 0.43 -0.21 1.90 2.43 -0.68 0.49 114.38 119.55 1cyl h ARG 85 Ca 0.32 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 1cyl h ARG 85 Cb 0.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1cyl h ARG 85 CO -0.16 0.28 -0.50 1.25 -1.51 0.00 0.00 179.97 179.33 1cyl h LEU 86 N 0.44 0.63 0.15 3.80 5.85 0.69 -2.69 115.31 124.18 1cyl h LEU 86 Ca 0.45 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1cyl h LEU 86 Cb 1.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1cyl h LEU 86 CO -0.17 1.03 -0.07 -0.78 -0.34 0.00 0.00 178.44 178.10 1cyl h ASP 87 N 0.45 -0.17 -0.37 1.25 1.82 0.12 -0.70 116.42 118.81 1cyl h ASP 87 Ca 0.02 -0.24 0.05 0.00 -0.39 0.00 0.00 57.03 56.47 1cyl h ASP 87 Cb 1.04 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 41.05 1cyl h ASP 87 CO 0.10 0.16 0.09 -0.09 -1.61 0.00 0.00 179.24 177.89 1cyl h ARG 88 N -0.52 0.22 -0.30 0.28 1.12 -1.34 -2.81 114.38 111.04 1cyl h ARG 88 Ca -0.02 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.65 1cyl h ARG 88 Cb 0.40 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1cyl h ARG 88 CO 0.03 0.14 -0.53 -0.97 -3.11 0.00 0.00 179.97 175.54 1cyl h ASN 89 N 0.22 0.96 -0.38 -3.80 -0.73 -1.49 -3.07 115.58 107.30 1cyl h ASN 89 Ca 0.18 -0.51 0.11 0.00 1.87 0.00 0.00 56.30 57.95 1cyl h ASN 89 Cb 0.19 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1cyl h ASN 89 CO -0.22 1.30 0.28 0.25 -0.37 0.00 0.00 177.43 178.68 1cyl h LEU 90 N 0.67 0.00 -1.44 0.34 6.46 -0.87 0.82 115.31 121.29 1cyl h LEU 90 Ca 0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1cyl h LEU 90 Cb 1.13 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1cyl h LEU 90 CO 0.12 0.00 0.02 -0.50 -0.62 0.00 0.00 178.44 177.46 1cyl h TRP 91 N 0.00 0.39 0.02 1.25 -0.00 -1.40 -1.18 115.95 115.03 1cyl h TRP 91 Ca 0.18 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1cyl h TRP 91 Cb 0.74 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.78 1cyl h TRP 91 CO 0.00 0.39 -0.01 0.78 -0.00 0.00 0.00 178.44 179.60 1cyl h GLY 92 N 0.67 -0.02 1.06 1.49 0.00 -0.97 -2.23 103.07 103.08 1cyl h GLY 92 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1cyl h GLY 92 CO 0.00 -0.01 0.41 1.41 0.00 0.00 0.00 176.54 178.35 1cyl h LEU 93 N -0.55 1.10 0.27 3.11 3.38 -1.41 -3.25 115.31 117.95 1cyl h LEU 93 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1cyl h LEU 93 Cb 0.53 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1cyl h LEU 93 CO 0.00 0.92 -0.13 0.00 0.09 0.00 0.00 178.44 179.32 1cyl h ALA 94 N 1.25 -0.79 0.00 1.53 0.00 -1.25 -3.48 119.26 116.52 1cyl h ALA 94 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1cyl h ALA 94 Cb 0.11 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1cyl h ALA 94 CO -0.04 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.86 1cyl n GLY 95 N -0.28 1.02 3.79 0.00 0.00 -0.84 -4.86 105.19 104.02 1cyl n GLY 95 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 3.36 -0.37 0.99 2.96 -1.26 -5.04 118.68 119.31 1cyl s LEU 96 Ca 0.00 -0.73 0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1cyl s LEU 96 Cb 0.00 -1.88 0.40 0.00 0.50 0.00 0.00 46.19 45.20 1cyl s LEU 96 CO 0.00 -0.41 1.04 -3.20 -1.32 0.00 0.00 176.35 172.46 1cyl n ASN 97 N -1.29 -0.16 0.00 3.68 4.05 -1.26 -4.88 115.26 115.40 1cyl n ASN 97 Ca -0.01 -2.87 0.00 0.00 0.45 0.00 0.00 54.58 52.15 1cyl n ASN 97 Cb 0.61 0.24 0.00 0.00 1.23 0.00 0.00 39.78 41.86 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1cyl n SER 98 N -0.06 0.00 -3.21 1.20 2.88 -1.26 -5.07 113.62 108.10 1cyl n SER 98 Ca 0.09 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.37 1cyl n SER 98 Cb 0.77 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 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 -2.69 4.59 0.00 0.00 0.04 -1.26 -4.43 135.00 131.26 1cyl s PRO 100 Ca 0.43 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1cyl s PRO 100 Cb 0.21 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1cyl s PRO 100 CO -0.07 0.20 0.00 1.55 0.04 0.00 0.00 177.00 178.72 1cyl n VAL 101 N 1.02 0.00 -1.60 -0.36 3.14 -1.26 -5.10 118.33 114.16 1cyl n VAL 101 Ca -0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1cyl n VAL 101 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 1cyl n VAL 101 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1cyl n LYS 102 N -1.45 -0.18 -3.15 1.45 5.02 -1.26 -4.97 118.16 113.62 1cyl n LYS 102 Ca 0.00 0.62 -0.45 0.00 -2.02 0.00 0.00 58.31 56.46 1cyl n LYS 102 Cb 0.00 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1cyl s GLU 103 N -1.11 3.51 0.00 1.97 2.56 -1.26 -4.96 118.70 119.41 1cyl s GLU 103 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 54.97 52.96 1cyl s GLU 103 Cb -0.01 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.54 1cyl s GLU 103 CO 0.06 -1.51 0.29 0.00 -0.56 0.00 0.00 175.26 173.54 1cyl n ALA 104 N 5.28 0.00 -0.06 6.30 0.00 -1.26 -4.66 120.51 126.11 1cyl n ALA 104 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1cyl n ALA 104 Cb 0.47 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1cyl n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cyl n ASN 105 N -0.55 -0.26 -3.61 0.00 0.23 -1.26 -4.44 115.26 105.37 1cyl n ASN 105 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 1cyl n ASN 105 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cyl s GLN 106 N 0.00 0.31 0.00 -3.83 -2.07 -1.26 -4.71 119.66 108.10 1cyl s GLN 106 Ca 0.00 0.10 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 1cyl s GLN 106 Cb 0.00 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1cyl s GLN 106 CO 0.00 -0.09 0.00 0.45 -1.32 0.00 0.00 175.29 174.33 1cyl n SER 107 N 0.72 0.00 -4.65 12.60 2.88 -1.19 -4.54 113.62 119.44 1cyl n SER 107 Ca -0.06 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.16 1cyl n SER 107 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.56 3.99 0.55 2.46 -4.23 -1.26 -1.66 115.64 112.92 1cyl s THR 108 Ca 0.00 -0.58 0.32 0.00 -1.18 0.00 0.00 61.69 60.25 1cyl s THR 108 Cb 0.00 -2.74 0.48 0.00 1.34 0.00 0.00 72.50 71.59 1cyl s THR 108 CO 0.00 0.44 1.87 0.25 -0.54 0.00 0.00 174.62 176.64 1cyl h LEU 109 N 4.61 0.00 -0.72 4.79 6.46 -1.22 0.14 115.31 129.37 1cyl h LEU 109 Ca -0.49 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.42 1cyl h LEU 109 Cb 1.18 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.00 1cyl h LEU 109 CO 0.55 0.00 0.15 -0.08 -0.62 0.00 0.00 178.44 178.45 1cyl h GLU 110 N 0.00 0.24 0.00 1.25 4.22 -1.86 0.79 114.58 119.22 1cyl h GLU 110 Ca 0.42 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.77 1cyl h GLU 110 Cb 1.75 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1cyl h GLU 110 CO -0.00 0.16 -0.37 -0.97 -2.18 0.00 0.00 179.01 175.65 1cyl h ASN 111 N 0.25 0.00 -0.41 1.04 -1.24 -1.10 -1.66 115.58 112.46 1cyl h ASN 111 Ca 0.40 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.35 1cyl h ASN 111 Cb 0.68 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 1cyl h ASN 111 CO -0.51 0.37 0.00 0.15 -1.29 0.00 0.00 177.43 176.15 1cyl h PHE 112 N 0.00 0.79 -0.05 0.67 3.04 0.63 0.47 116.94 122.50 1cyl h PHE 112 Ca -0.00 -0.14 -0.13 0.00 3.98 0.00 0.00 57.97 61.68 1cyl h PHE 112 Cb 0.70 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1cyl h PHE 112 CO 0.00 0.80 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.44 1cyl h LEU 113 N 0.56 0.16 -0.16 0.59 3.38 -0.92 0.17 115.31 119.09 1cyl h LEU 113 Ca 0.12 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1cyl h LEU 113 Cb 0.48 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cyl h LEU 113 CO 0.02 0.71 -0.27 -0.08 0.09 0.00 0.00 178.44 178.91 1cyl h GLU 114 N 0.11 0.46 0.05 1.13 4.22 -0.92 -1.48 114.58 118.15 1cyl h GLU 114 Ca -0.00 -0.28 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 1cyl h GLU 114 Cb 1.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1cyl h GLU 114 CO 0.08 0.88 -0.02 -0.09 -2.18 0.00 0.00 179.01 177.68 1cyl h ARG 115 N 0.08 -0.07 -0.75 1.92 9.65 -0.01 -1.31 114.38 123.90 1cyl h ARG 115 Ca 0.01 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1cyl h ARG 115 Cb 0.85 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.39 1cyl h ARG 115 CO 0.06 0.43 0.44 1.25 2.80 0.00 0.00 179.97 184.95 1cyl h LEU 116 N -0.60 0.67 -0.46 3.80 5.85 -0.75 -2.15 115.31 121.67 1cyl h LEU 116 Ca -0.01 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1cyl h LEU 116 Cb 0.53 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1cyl h LEU 116 CO 0.01 0.43 -0.46 0.50 -0.34 0.00 0.00 178.44 178.58 1cyl h LYS 117 N 0.81 0.77 -0.15 1.25 3.64 -1.26 -3.00 116.57 118.63 1cyl h LYS 117 Ca 0.33 -0.44 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1cyl h LYS 117 Cb 0.18 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1cyl h LYS 117 CO -0.18 1.06 0.10 1.15 -2.27 0.00 0.00 179.45 179.31 1cyl h THR 118 N 0.61 1.02 0.04 1.00 2.02 -0.61 -1.99 112.91 115.01 1cyl h THR 118 Ca 0.04 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1cyl h THR 118 Cb 1.03 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1cyl h THR 118 CO 0.10 0.03 -0.02 0.40 0.37 0.00 0.00 175.52 176.40 1cyl h ILE 119 N 0.18 1.29 -0.01 3.11 1.08 -1.30 -2.94 117.51 118.91 1cyl h ILE 119 Ca 0.06 -1.12 0.03 0.00 -0.39 0.00 0.00 64.86 63.43 1cyl h ILE 119 Cb 0.01 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 1cyl h ILE 119 CO -0.01 0.28 -0.16 0.24 -0.69 0.00 0.00 178.15 177.81 1cyl h MET 120 N -0.56 -0.25 -1.02 2.37 2.86 -1.41 0.12 114.93 117.05 1cyl h MET 120 Ca -0.01 0.02 0.25 0.00 -2.06 0.00 0.00 59.70 57.90 1cyl h MET 120 Cb 0.50 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.13 1cyl h MET 120 CO 0.01 -0.17 0.65 0.00 1.06 0.00 0.00 176.91 178.46 1cyl h ARG 121 N -0.26 0.43 0.04 1.72 3.08 -1.43 0.19 114.38 118.14 1cyl h ARG 121 Ca 0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1cyl h ARG 121 Cb 0.34 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1cyl h ARG 121 CO -0.17 0.28 -0.02 0.93 -1.07 0.00 0.00 179.97 179.92 1cyl h GLU 122 N 0.44 -0.06 0.01 0.04 5.08 -0.82 -0.88 114.58 118.39 1cyl h GLU 122 Ca 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1cyl h GLU 122 Cb 1.39 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1cyl h GLU 122 CO -0.30 0.25 -0.01 0.87 -1.00 0.00 0.00 179.01 178.83 1cyl h LYS 123 N -0.37 -0.02 -0.25 2.33 1.57 -0.08 -2.41 116.57 117.34 1cyl h LYS 123 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1cyl h LYS 123 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1cyl h LYS 123 CO 0.01 0.35 0.18 -0.92 -0.57 0.00 0.00 179.45 178.50 1cyl h TYR 124 N -0.39 0.00 0.00 -1.35 3.20 -0.78 1.06 116.97 118.71 1cyl h TYR 124 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cyl h TYR 124 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1cyl h TYR 124 CO 0.05 0.00 0.00 0.45 -1.64 0.00 0.00 178.16 177.02 1cyl n SER 125 N -4.42 0.00 -1.75 -2.11 2.88 -0.34 -4.21 113.62 103.67 1cyl n SER 125 Ca 0.03 0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.51 1cyl n SER 125 Cb 0.34 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.85 1cyl n SER 125 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1cyl n LYS 126 N -0.43 1.70 -0.49 -1.46 5.02 -0.93 -4.56 118.16 117.01 1cyl n LYS 126 Ca 0.00 -1.47 0.42 0.00 -2.02 0.00 0.00 58.31 55.24 1cyl n LYS 126 Cb 0.00 -1.58 0.75 0.00 -0.02 0.00 0.00 35.03 34.18 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cyl s SER 128 N -4.56 2.55 0.00 0.00 1.04 -1.26 -2.01 113.70 109.46 1cyl s SER 128 Ca -0.06 1.98 0.29 0.00 0.48 0.00 0.00 55.95 58.64 1cyl s SER 128 Cb 0.26 -2.49 1.72 0.00 0.10 0.00 0.00 66.02 65.61 1cyl s SER 128 CO 0.84 -3.30 2.06 -0.24 0.98 0.00 0.00 173.24 173.58