#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 1.58 0.07 -0.41 2.20 -0.83 -4.37 119.74 117.98 1cyl s LYS 2 Ca 0.00 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 1cyl s LYS 2 Cb 0.00 0.60 -0.04 0.00 -1.51 0.00 0.00 37.83 36.88 1cyl s LYS 2 CO 0.00 -0.71 -0.02 0.00 -0.36 0.00 0.00 175.35 174.26 1cyl s ASP 4 N -2.10 2.82 0.30 0.00 2.15 -1.26 -5.03 116.67 113.54 1cyl s ASP 4 Ca 0.23 -1.24 0.12 0.00 0.43 0.00 0.00 52.55 52.09 1cyl s ASP 4 Cb -0.12 -0.18 0.47 0.00 -0.30 0.00 0.00 42.92 42.79 1cyl s ASP 4 CO 0.15 -0.39 1.67 0.40 -0.17 0.00 0.00 175.17 176.83 1cyl h ILE 5 N 2.20 1.36 -0.28 4.11 1.08 -2.00 -3.22 117.51 120.76 1cyl h ILE 5 Ca -0.40 -1.88 0.06 0.00 -0.39 0.00 0.00 64.86 62.25 1cyl h ILE 5 Cb 1.24 2.02 -0.06 0.00 -3.07 0.00 0.00 36.82 36.94 1cyl h ILE 5 CO 0.69 0.53 -0.14 0.74 -0.69 0.00 0.00 178.15 179.28 1cyl h THR 6 N 0.00 0.57 0.04 -0.27 2.02 -1.99 -0.79 112.91 112.50 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 0.98 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1cyl h THR 6 CO 0.07 0.00 -0.02 0.17 0.37 0.00 0.00 175.52 176.11 1cyl h LEU 7 N -0.10 -0.04 -1.91 2.58 -0.00 -1.93 -1.43 115.31 112.47 1cyl h LEU 7 Ca 0.15 -0.17 0.31 0.00 -0.00 0.00 0.00 57.88 58.17 1cyl h LEU 7 Cb 0.32 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 1cyl h LEU 7 CO -0.34 0.14 0.77 1.56 -0.00 0.00 0.00 178.44 180.57 1cyl h GLN 8 N -0.23 0.05 -0.06 0.17 4.20 -1.45 0.59 115.11 118.39 1cyl h GLN 8 Ca -0.01 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1cyl h GLN 8 Cb 0.21 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1cyl h GLN 8 CO 0.01 0.04 -0.08 0.93 -0.67 0.00 0.00 178.83 179.05 1cyl h GLU 9 N 0.06 0.16 -1.01 1.46 5.08 -0.22 -3.03 114.58 117.07 1cyl h GLU 9 Ca 0.53 -0.09 0.25 0.00 -1.00 0.00 0.00 59.36 59.05 1cyl h GLU 9 Cb 2.01 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 31.18 1cyl h GLU 9 CO -0.05 0.65 0.66 0.97 -1.00 0.00 0.00 179.01 180.25 1cyl h ILE 10 N -0.31 0.56 -0.40 3.13 2.10 0.12 0.44 117.51 123.14 1cyl h ILE 10 Ca 0.01 -0.12 -0.12 0.00 1.08 0.00 0.00 64.86 65.70 1cyl h ILE 10 Cb 0.63 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.52 1cyl h ILE 10 CO 0.02 0.06 -0.24 0.40 -1.08 0.00 0.00 178.15 177.32 1cyl h ILE 11 N 0.35 1.27 -0.84 2.19 1.08 -1.28 -1.46 117.51 118.82 1cyl h ILE 11 Ca 0.55 -1.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1cyl h ILE 11 Cb 1.48 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 36.40 1cyl h ILE 11 CO -0.23 0.46 0.44 0.50 -0.69 0.00 0.00 178.15 178.64 1cyl h LYS 12 N 0.71 1.19 0.00 2.37 3.64 -0.07 -0.28 116.57 124.14 1cyl h LYS 12 Ca 0.09 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1cyl h LYS 12 Cb 0.77 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1cyl h LYS 12 CO 0.06 0.88 -0.00 1.15 -2.27 0.00 0.00 179.45 179.27 1cyl h THR 13 N 1.19 1.41 -0.09 1.00 2.02 -1.08 -2.47 112.91 114.88 1cyl h THR 13 Ca 0.29 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.27 1cyl h THR 13 Cb 0.06 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1cyl h THR 13 CO -0.04 0.32 0.07 -0.07 0.37 0.00 0.00 175.52 176.16 1cyl h LEU 14 N -0.53 0.00 -0.00 2.58 4.07 -1.14 -2.35 115.31 117.94 1cyl h LEU 14 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cyl h LEU 14 Cb 0.53 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 1cyl h LEU 14 CO 0.00 0.00 -0.00 -1.13 -1.08 0.00 0.00 178.44 176.23 1cyl h ASN 15 N 0.00 0.01 -0.21 -0.43 -0.73 -0.91 -0.89 115.58 112.42 1cyl h ASN 15 Ca 0.04 -0.52 0.02 0.00 1.87 0.00 0.00 56.30 57.71 1cyl h ASN 15 Cb 0.18 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 1cyl h ASN 15 CO -0.00 0.53 0.07 0.77 -0.37 0.00 0.00 177.43 178.43 1cyl h SER 16 N -0.51 0.07 0.37 1.15 4.64 -0.96 -2.01 113.55 116.30 1cyl h SER 16 Ca 0.00 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1cyl h SER 16 Cb 0.53 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1cyl h SER 16 CO 0.00 0.07 -0.37 -0.07 -0.87 0.00 0.00 176.83 175.59 1cyl h LEU 17 N 0.16 0.00 -0.28 5.97 3.38 -1.52 -2.97 115.31 120.06 1cyl h LEU 17 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1cyl h LEU 17 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1cyl h LEU 17 CO -0.10 0.37 0.08 0.71 0.09 0.00 0.00 178.44 179.59 1cyl h THR 18 N 0.00 1.20 -0.08 0.22 1.35 -0.45 -1.76 112.91 113.40 1cyl h THR 18 Ca -0.00 -0.64 0.02 0.00 -0.55 0.00 0.00 66.41 65.24 1cyl h THR 18 Cb 0.65 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1cyl h THR 18 CO 0.05 0.21 0.06 -0.08 -0.25 0.00 0.00 175.52 175.51 1cyl h GLU 19 N 0.28 0.00 -2.75 4.72 4.81 -1.29 -3.37 114.58 116.98 1cyl h GLU 19 Ca 0.09 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.98 1cyl h GLU 19 Cb 0.25 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.26 1cyl h GLU 19 CO -0.00 0.00 -0.65 -0.65 -0.73 0.00 0.00 179.01 176.98 1cyl s GLN 20 N -5.03 0.13 -0.38 1.92 -0.21 -0.71 -5.05 119.66 110.33 1cyl s GLN 20 Ca -0.05 0.24 0.11 0.00 0.02 0.00 0.00 55.36 55.68 1cyl s GLN 20 Cb 0.17 -1.11 0.34 0.00 1.00 0.00 0.00 33.01 33.42 1cyl s GLN 20 CO 0.67 -0.58 0.79 1.17 -2.12 0.00 0.00 175.29 175.22 1cyl n LYS 21 N 5.31 0.97 0.00 2.91 3.00 -0.90 -4.33 118.16 125.12 1cyl n LYS 21 Ca -0.06 -3.15 0.00 0.00 -0.00 0.00 0.00 58.31 55.11 1cyl n LYS 21 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.93 1cyl n LYS 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1cyl n THR 22 N 0.31 0.00 -2.86 3.15 -1.04 -1.26 -4.47 114.28 108.10 1cyl n THR 22 Ca 0.22 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.04 1cyl n THR 22 Cb 0.66 -0.34 -0.04 0.00 -1.82 0.00 0.00 70.33 68.80 1cyl n THR 22 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1cyl n LEU 23 N -0.21 -0.37 -3.03 -4.42 7.94 -1.26 0.92 117.00 116.58 1cyl n LEU 23 Ca 0.00 -0.51 -0.14 0.00 -1.11 0.00 0.00 56.01 54.26 1cyl n LEU 23 Cb 0.00 -0.80 0.07 0.00 0.53 0.00 0.00 43.42 43.21 1cyl n LEU 23 CO 0.00 0.04 0.06 0.00 -1.11 0.00 0.00 177.39 176.38 1cyl n THR 25 N -3.29 0.00 0.00 0.00 -1.04 0.26 -3.73 114.28 106.48 1cyl n THR 25 Ca -0.14 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1cyl n THR 25 Cb 0.62 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1cyl n THR 25 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1cyl n GLU 26 N -4.66 0.00 -0.69 -2.82 4.07 -1.26 -4.78 120.64 110.51 1cyl n GLU 26 Ca 0.15 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.99 1cyl n GLU 26 Cb 0.57 -1.61 0.12 0.00 -0.06 0.00 0.00 31.44 30.46 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1cyl n LEU 27 N 0.00 -2.09 -4.44 4.31 4.77 -1.24 -4.26 117.00 114.05 1cyl n LEU 27 Ca 0.00 -0.19 -0.38 0.00 -0.03 0.00 0.00 56.01 55.40 1cyl n LEU 27 Cb 0.00 -0.76 -0.12 0.00 -2.33 0.00 0.00 43.42 40.21 1cyl n LEU 27 CO 0.00 -2.95 -0.21 0.42 -1.33 0.00 0.00 177.39 173.32 1cyl s THR 28 N -2.11 4.59 0.44 -5.08 -4.23 -1.26 -0.92 115.64 107.07 1cyl s THR 28 Ca 0.41 -0.41 0.07 0.00 -1.18 0.00 0.00 61.69 60.57 1cyl s THR 28 Cb -0.04 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 1cyl s THR 28 CO 0.49 0.08 0.24 -0.69 -0.54 0.00 0.00 174.62 174.20 1cyl s VAL 29 N 1.61 2.19 0.22 2.29 1.01 -0.15 -4.87 120.40 122.71 1cyl s VAL 29 Ca 0.05 -1.62 -0.32 0.00 0.00 0.00 0.00 61.98 60.08 1cyl s VAL 29 Cb -0.17 -2.81 -0.13 0.00 0.00 0.00 0.00 36.38 33.27 1cyl s VAL 29 CO 0.06 0.00 1.64 0.41 0.00 0.00 0.00 175.10 177.21 1cyl n THR 30 N -1.38 0.28 -2.79 3.92 -1.04 -1.26 -1.13 114.28 110.88 1cyl n THR 30 Ca -0.01 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.05 61.56 1cyl n THR 30 Cb 0.64 -1.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 1cyl n THR 30 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cyl s ASP 31 N 0.91 7.36 0.00 8.00 -1.08 -1.00 -4.58 116.67 126.27 1cyl s ASP 31 Ca 0.73 1.83 0.00 0.00 -0.52 0.00 0.00 52.55 54.59 1cyl s ASP 31 Cb -0.56 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.33 1cyl s ASP 31 CO 0.38 -0.04 0.00 2.30 0.52 0.00 0.00 175.17 178.33 1cyl n ILE 32 N 0.65 0.00 -1.61 4.11 -5.35 -1.26 -4.61 119.36 111.28 1cyl n ILE 32 Ca 0.01 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.45 1cyl n ILE 32 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 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 -1.18 -2.28 4.28 3.72 -1.26 -1.63 117.46 119.11 1cyl n PHE 33 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1cyl n PHE 33 Cb 0.00 -1.50 0.00 0.00 -0.94 0.00 0.00 39.48 37.04 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 -1.23 -0.87 -1.89 4.37 0.00 -1.26 -1.22 120.51 118.42 1cyl n ALA 34 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1cyl n ALA 34 Cb 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.26 -1.68 -2.11 0.00 0.00 -0.65 -3.37 120.51 110.44 1cyl n ALA 35 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1cyl n ALA 35 Cb 0.43 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.26 -1.54 0.00 0.00 7.64 -0.36 -4.68 113.62 113.42 1cyl n SER 36 Ca -0.00 0.33 0.12 0.00 1.01 0.00 0.00 58.87 60.32 1cyl n SER 36 Cb 0.50 -1.51 0.56 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.22 0.17 -2.53 1.43 4.81 -0.51 -4.87 118.16 114.45 1cyl n LYS 37 Ca -0.04 0.08 -0.15 0.00 -0.87 0.00 0.00 58.31 57.33 1cyl n LYS 37 Cb 0.42 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.39 -4.31 -3.29 3.14 5.15 -1.26 -4.92 115.26 108.38 1cyl n ASN 38 Ca 0.09 0.09 -0.13 0.00 -0.60 0.00 0.00 54.58 54.03 1cyl n ASN 38 Cb 0.23 -3.63 0.12 0.00 -0.53 0.00 0.00 39.78 35.98 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 -3.58 0.00 -1.71 -0.44 5.66 -1.26 -4.58 114.28 108.37 1cyl n THR 39 Ca -0.15 0.00 -0.63 0.00 -3.05 0.00 0.00 64.05 60.22 1cyl n THR 39 Cb 0.62 -0.41 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 1cyl n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1cyl n THR 40 N -4.05 0.11 -0.21 1.09 -2.24 -1.26 -4.76 114.28 102.96 1cyl n THR 40 Ca 0.06 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1cyl n THR 40 Cb 0.25 -0.74 0.12 0.00 -2.10 0.00 0.00 70.33 67.86 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 5.62 0.44 -0.58 -0.78 5.08 -2.00 0.18 114.58 122.53 1cyl h GLU 41 Ca -0.46 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 57.98 1cyl h GLU 41 Cb 1.35 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1cyl h GLU 41 CO 0.94 0.29 0.39 0.87 -1.00 0.00 0.00 179.01 180.50 1cyl h LYS 42 N 0.45 0.37 -0.08 2.33 1.57 -1.86 -0.86 116.57 118.50 1cyl h LYS 42 Ca 0.32 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1cyl h LYS 42 Cb 0.38 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1cyl h LYS 42 CO -0.30 0.25 -0.11 0.93 -0.57 0.00 0.00 179.45 179.65 1cyl h GLU 43 N 0.39 0.21 -0.05 3.15 4.39 -1.02 -2.33 114.58 119.31 1cyl h GLU 43 Ca 0.27 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1cyl h GLU 43 Cb 0.55 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1cyl h GLU 43 CO -0.07 0.68 0.03 0.00 -1.16 0.00 0.00 179.01 178.49 1cyl h THR 44 N -0.25 0.91 -0.02 1.13 1.03 -0.47 0.85 112.91 116.09 1cyl h THR 44 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.28 1cyl h THR 44 Cb 0.66 0.98 -0.02 0.00 -1.07 0.00 0.00 68.15 68.70 1cyl h THR 44 CO 0.03 0.00 -0.57 -0.26 -0.01 0.00 0.00 175.52 174.70 1cyl h PHE 45 N 0.00 0.09 0.11 0.00 0.04 -0.97 0.13 116.94 116.35 1cyl h PHE 45 Ca 0.02 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1cyl h PHE 45 Cb 0.09 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1cyl h PHE 45 CO 0.00 0.63 -0.05 0.00 -0.60 0.00 0.00 178.31 178.28 1cyl h ARG 47 N -0.68 0.54 0.00 0.00 9.65 -1.51 -3.03 114.38 119.35 1cyl h ARG 47 Ca -0.02 -0.36 -0.10 0.00 -1.10 0.00 0.00 59.98 58.40 1cyl h ARG 47 Cb 0.52 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1cyl h ARG 47 CO 0.03 0.97 -0.47 0.00 2.80 0.00 0.00 179.97 183.30 1cyl h ALA 48 N 0.95 1.12 -0.07 2.80 0.00 -0.77 -2.17 119.26 121.12 1cyl h ALA 48 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1cyl h ALA 48 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1cyl h ALA 48 CO 0.11 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.86 1cyl h ALA 49 N 1.53 0.10 0.00 0.00 0.00 -0.82 -1.38 119.26 118.69 1cyl h ALA 49 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1cyl h ALA 49 Cb 0.88 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1cyl h ALA 49 CO 0.06 -0.06 -0.25 1.15 0.00 0.00 0.00 179.25 180.14 1cyl h THR 50 N -0.28 1.18 0.10 0.00 2.02 -1.49 -0.99 112.91 113.45 1cyl h THR 50 Ca 0.01 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1cyl h THR 50 Cb 0.62 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1cyl h THR 50 CO 0.02 0.25 -0.05 0.58 0.37 0.00 0.00 175.52 176.69 1cyl h VAL 51 N 0.00 1.14 0.00 3.16 2.07 -1.22 -1.40 116.25 120.00 1cyl h VAL 51 Ca -0.00 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1cyl h VAL 51 Cb 0.45 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1cyl h VAL 51 CO 0.03 0.26 -0.10 0.17 0.02 0.00 0.00 177.57 177.96 1cyl h LEU 52 N -0.67 0.00 -0.22 2.57 8.10 -1.14 -0.76 115.31 123.19 1cyl h LEU 52 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1cyl h LEU 52 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1cyl h LEU 52 CO 0.02 0.10 0.10 -0.09 -4.11 0.00 0.00 178.44 174.46 1cyl h ARG 53 N 0.00 0.33 0.00 0.17 2.43 -0.99 -1.38 114.38 114.94 1cyl h ARG 53 Ca -0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1cyl h ARG 53 Cb 0.18 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1cyl h ARG 53 CO 0.01 0.36 -0.29 1.96 -1.51 0.00 0.00 179.97 180.50 1cyl h GLN 54 N 0.22 0.00 0.09 0.20 4.20 -0.11 -2.19 115.11 117.51 1cyl h GLN 54 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1cyl h GLN 54 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1cyl h GLN 54 CO -0.01 0.29 -0.04 0.35 -0.67 0.00 0.00 178.83 178.75 1cyl h PHE 55 N 0.00 -0.11 -0.21 2.96 3.57 -0.58 -1.61 116.94 120.96 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 0.55 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1cyl h PHE 55 CO 0.00 0.36 -0.61 0.10 -2.23 0.00 0.00 178.31 175.93 1cyl h TYR 56 N -0.63 0.93 -0.19 0.41 -0.00 -1.25 -0.16 116.97 116.09 1cyl h TYR 56 Ca -0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 58.73 58.29 1cyl h TYR 56 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.07 1cyl h TYR 56 CO 0.09 1.15 -0.18 1.03 -0.00 0.00 0.00 178.16 180.25 1cyl h SER 57 N 0.54 0.48 0.55 0.10 0.87 -1.49 -2.96 113.55 111.64 1cyl h SER 57 Ca -0.01 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 1cyl h SER 57 Cb 1.20 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1cyl h SER 57 CO 0.13 0.86 -0.48 -0.74 -0.53 0.00 0.00 176.83 176.06 1cyl h HIS 58 N 0.11 0.00 -0.07 2.24 2.76 -1.33 -2.98 115.15 115.88 1cyl h HIS 58 Ca 0.03 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1cyl h HIS 58 Cb 0.72 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1cyl h HIS 58 CO 0.08 0.48 -0.33 0.45 -1.30 0.00 0.00 177.93 177.30 1cyl h HIS 59 N 0.00 0.16 -1.78 5.26 -0.00 -0.94 -2.63 115.15 115.22 1cyl h HIS 59 Ca -0.00 -0.03 0.53 0.00 -0.00 0.00 0.00 60.37 60.86 1cyl h HIS 59 Cb 0.88 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 28.16 1cyl h HIS 59 CO 0.00 0.46 1.26 0.93 -0.00 0.00 0.00 177.93 180.58 1cyl h GLU 60 N 0.12 0.01 0.00 2.45 5.08 -1.36 -3.35 114.58 117.54 1cyl h GLU 60 Ca 0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1cyl h GLU 60 Cb 0.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1cyl h GLU 60 CO 0.05 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 1cyl n LYS 61 N -4.13 0.55 -3.26 2.33 4.76 -0.99 -4.82 118.16 112.60 1cyl n LYS 61 Ca 0.42 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.62 1cyl n LYS 61 Cb 1.84 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 35.08 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 -5.85 -0.15 4.39 -0.08 -1.26 -4.75 116.55 108.86 1cyl n ASP 62 Ca 0.00 -0.39 0.27 0.00 -1.51 0.00 0.00 54.79 53.16 1cyl n ASP 62 Cb 0.00 -4.70 0.58 0.00 2.34 0.00 0.00 41.12 39.35 1cyl n ASP 62 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1cyl h THR 63 N -1.71 0.14 -0.92 5.18 2.02 -1.87 -0.96 112.91 114.79 1cyl h THR 63 Ca -0.53 0.00 0.16 0.00 0.77 0.00 0.00 66.41 66.81 1cyl h THR 63 Cb 1.36 0.24 -0.16 0.00 -1.74 0.00 0.00 68.15 67.85 1cyl h THR 63 CO 0.57 0.00 -0.32 -0.09 0.37 0.00 0.00 175.52 176.06 1cyl h ARG 64 N 0.00 -0.02 -1.44 6.66 2.43 -1.99 -2.22 114.38 117.80 1cyl h ARG 64 Ca 0.42 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 59.07 1cyl h ARG 64 Cb 2.32 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 31.46 1cyl h ARG 64 CO -0.00 -0.01 -0.86 0.00 -1.51 0.00 0.00 179.97 177.58 1cyl h LEU 66 N 2.72 0.00 0.00 0.00 3.38 -1.38 -3.43 115.31 116.60 1cyl h LEU 66 Ca 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cyl h LEU 66 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1cyl h LEU 66 CO 0.75 0.63 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1cyl n GLY 67 N 1.73 -1.90 0.58 0.83 0.00 -1.26 -4.63 105.19 100.53 1cyl n GLY 67 Ca -0.03 0.89 0.37 0.00 0.00 0.00 0.00 46.02 47.25 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 3.23 -2.06 4.61 0.00 -1.93 -3.32 119.26 119.78 1cyl h ALA 68 Ca 0.00 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.26 1cyl h ALA 68 Cb 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 1cyl h ALA 68 CO 0.00 -1.84 0.49 0.95 0.00 0.00 0.00 179.25 178.84 1cyl s THR 69 N -4.68 4.62 0.56 0.00 -4.23 -1.26 -4.88 115.64 105.77 1cyl s THR 69 Ca -0.04 0.90 0.34 0.00 -1.18 0.00 0.00 61.69 61.71 1cyl s THR 69 Cb 0.20 -4.31 0.50 0.00 1.34 0.00 0.00 72.50 70.23 1cyl s THR 69 CO 0.68 -0.58 1.78 0.00 -0.54 0.00 0.00 174.62 175.95 1cyl h ALA 70 N 8.66 2.91 -0.16 3.99 0.00 -2.01 0.76 119.26 133.41 1cyl h ALA 70 Ca -0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1cyl h ALA 70 Cb 1.08 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1cyl h ALA 70 CO 0.96 -1.33 -0.20 0.37 0.00 0.00 0.00 179.25 179.05 1cyl h GLN 71 N 0.00 0.43 0.00 0.00 5.75 -1.90 -2.84 115.11 116.55 1cyl h GLN 71 Ca 0.48 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1cyl h GLN 71 Cb 2.09 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.65 1cyl h GLN 71 CO -0.01 0.82 -0.04 0.37 -2.65 0.00 0.00 178.83 177.32 1cyl h GLN 72 N 0.06 0.00 -0.98 1.69 4.15 0.21 -1.67 115.11 118.57 1cyl h GLN 72 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1cyl h GLN 72 Cb 0.76 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.39 1cyl h GLN 72 CO 0.05 0.04 0.63 0.35 -1.93 0.00 0.00 178.83 177.98 1cyl h PHE 73 N 0.00 1.18 -0.44 3.99 3.57 -0.94 0.05 116.94 124.34 1cyl h PHE 73 Ca -0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1cyl h PHE 73 Cb 0.08 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1cyl h PHE 73 CO 0.00 0.62 0.29 1.25 -2.23 0.00 0.00 178.31 178.25 1cyl h HIS 74 N 1.17 0.45 0.00 0.41 2.76 -1.31 0.15 115.15 118.77 1cyl h HIS 74 Ca 0.42 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.50 1cyl h HIS 74 Cb 0.13 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1cyl h HIS 74 CO -0.01 0.26 -0.48 0.00 -1.30 0.00 0.00 177.93 176.40 1cyl h ARG 75 N 0.46 0.00 -0.19 5.26 2.47 -1.05 -2.57 114.38 118.76 1cyl h ARG 75 Ca 0.18 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1cyl h ARG 75 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1cyl h ARG 75 CO -0.04 0.48 0.08 1.25 0.56 0.00 0.00 179.97 182.29 1cyl h HIS 76 N 0.00 0.29 -0.01 3.04 2.76 -0.13 -1.52 115.15 119.58 1cyl h HIS 76 Ca -0.00 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 1cyl h HIS 76 Cb 0.86 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1cyl h HIS 76 CO 0.00 0.34 -0.45 0.87 -1.30 0.00 0.00 177.93 177.40 1cyl h LYS 77 N 0.16 0.01 -0.24 5.26 6.56 -1.40 -2.21 116.57 124.72 1cyl h LYS 77 Ca 0.06 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.54 1cyl h LYS 77 Cb 0.17 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1cyl h LYS 77 CO -0.01 0.46 -0.28 0.37 -2.06 0.00 0.00 179.45 177.93 1cyl h GLN 78 N 0.01 0.61 -0.18 3.15 5.75 -1.13 -0.45 115.11 122.86 1cyl h GLN 78 Ca -0.00 -0.34 -0.10 0.00 -0.15 0.00 0.00 58.65 58.06 1cyl h GLN 78 Cb 0.80 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.36 1cyl h GLN 78 CO 0.06 0.94 -0.29 -0.07 -2.65 0.00 0.00 178.83 176.82 1cyl h LEU 79 N 0.31 0.56 -1.33 -2.39 4.07 -1.22 -1.66 115.31 113.66 1cyl h LEU 79 Ca 0.03 -0.53 -0.07 0.00 0.08 0.00 0.00 57.88 57.39 1cyl h LEU 79 Cb 0.85 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1cyl h LEU 79 CO 0.07 0.98 -0.33 0.40 -1.08 0.00 0.00 178.44 178.47 1cyl h ILE 80 N 0.16 1.19 0.02 1.22 5.03 -1.44 0.85 117.51 124.54 1cyl h ILE 80 Ca 0.02 -1.17 -0.00 0.00 -0.12 0.00 0.00 64.86 63.59 1cyl h ILE 80 Cb 0.87 1.64 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 1cyl h ILE 80 CO 0.07 0.33 -0.01 -0.09 -0.68 0.00 0.00 178.15 177.76 1cyl h ARG 81 N 0.00 -0.03 0.00 2.37 1.12 -0.91 0.29 114.38 117.22 1cyl h ARG 81 Ca -0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 1cyl h ARG 81 Cb 0.61 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 1cyl h ARG 81 CO 0.04 0.37 -0.38 0.74 -3.11 0.00 0.00 179.97 177.64 1cyl h PHE 82 N -0.44 0.00 -0.26 2.20 0.04 -1.08 -1.76 116.94 115.64 1cyl h PHE 82 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1cyl h PHE 82 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1cyl h PHE 82 CO 0.06 0.38 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.94 1cyl h LEU 83 N 0.00 0.43 -0.00 1.54 3.38 0.11 -1.31 115.31 119.45 1cyl h LEU 83 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1cyl h LEU 83 Cb 0.71 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1cyl h LEU 83 CO 0.05 0.60 -0.00 0.50 0.09 0.00 0.00 178.44 179.68 1cyl h LYS 84 N 0.41 0.00 -0.70 1.13 3.11 -0.14 -1.05 116.57 119.34 1cyl h LYS 84 Ca 0.08 -0.00 0.19 0.00 -2.81 0.00 0.00 60.65 58.10 1cyl h LYS 84 Cb 0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.69 1cyl h LYS 84 CO 0.03 0.56 0.50 -0.09 -2.81 0.00 0.00 179.45 177.63 1cyl h ARG 85 N -0.55 0.08 -0.11 1.90 2.43 -1.10 0.21 114.38 117.24 1cyl h ARG 85 Ca 0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1cyl h ARG 85 Cb 0.56 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1cyl h ARG 85 CO 0.00 0.05 -0.13 1.25 -1.51 0.00 0.00 179.97 179.63 1cyl h LEU 86 N 0.08 0.30 -0.95 3.80 5.85 -0.88 -2.17 115.31 121.35 1cyl h LEU 86 Ca 0.34 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1cyl h LEU 86 Cb 1.22 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1cyl h LEU 86 CO -0.03 0.75 0.60 -0.78 -0.34 0.00 0.00 178.44 178.64 1cyl h ASP 87 N -0.14 0.95 0.01 1.25 3.58 0.71 -0.27 116.42 122.52 1cyl h ASP 87 Ca 0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1cyl h ASP 87 Cb 0.67 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1cyl h ASP 87 CO 0.03 0.61 -0.00 0.03 -2.88 0.00 0.00 179.24 177.02 1cyl h ARG 88 N 1.09 -0.01 0.00 0.28 3.08 -1.31 -3.23 114.38 114.28 1cyl h ARG 88 Ca 0.41 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.41 1cyl h ARG 88 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1cyl h ARG 88 CO -0.18 0.50 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.08 1cyl h ASN 89 N -0.52 0.00 -0.46 7.04 2.35 -1.20 -2.68 115.58 120.11 1cyl h ASN 89 Ca -0.00 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1cyl h ASN 89 Cb 0.51 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1cyl h ASN 89 CO 0.00 0.23 0.34 -0.07 -1.65 0.00 0.00 177.43 176.28 1cyl h LEU 90 N 0.00 0.00 -1.30 1.61 4.07 -1.06 0.48 115.31 119.11 1cyl h LEU 90 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1cyl h LEU 90 Cb 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1cyl h LEU 90 CO 0.03 0.00 -0.15 -0.50 -1.08 0.00 0.00 178.44 176.74 1cyl h TRP 91 N 0.00 0.30 0.05 1.13 -0.00 -1.60 -2.53 115.95 113.30 1cyl h TRP 91 Ca 0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.06 1cyl h TRP 91 Cb 0.89 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 29.96 1cyl h TRP 91 CO 0.00 0.43 -0.03 0.78 -0.00 0.00 0.00 178.44 179.63 1cyl h GLY 92 N 0.82 -0.08 1.91 1.49 0.00 -1.06 0.38 103.07 106.53 1cyl h GLY 92 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1cyl h GLY 92 CO 0.03 -0.03 0.03 1.41 0.00 0.00 0.00 176.54 177.98 1cyl h LEU 93 N -0.18 0.00 0.00 3.11 -0.00 -1.53 -3.33 115.31 113.38 1cyl h LEU 93 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1cyl h LEU 93 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1cyl h LEU 93 CO 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.45 1cyl n ALA 94 N -2.51 0.00 0.00 1.53 0.00 -0.76 -4.72 120.51 114.05 1cyl n ALA 94 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cyl n ALA 94 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 2.50 0.75 3.73 0.00 0.00 0.13 -4.97 105.19 107.33 1cyl n GLY 95 Ca 0.00 0.00 -0.23 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 3.21 -0.19 0.99 2.96 -1.26 -5.04 118.68 119.35 1cyl s LEU 96 Ca 0.00 -0.86 0.13 0.00 -0.22 0.00 0.00 54.13 53.18 1cyl s LEU 96 Cb 0.00 -1.66 0.42 0.00 0.50 0.00 0.00 46.19 45.46 1cyl s LEU 96 CO 0.00 -0.37 1.21 -3.20 -1.32 0.00 0.00 176.35 172.67 1cyl n ASN 97 N -1.18 1.71 -3.69 3.68 5.15 -1.26 -4.89 115.26 114.77 1cyl n ASN 97 Ca -0.02 -3.70 -0.42 0.00 -0.60 0.00 0.00 54.58 49.84 1cyl n ASN 97 Cb 0.62 -0.50 -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 -0.24 1.40 0.00 0.00 177.26 178.42 1cyl n SER 98 N -0.94 5.45 -3.21 1.20 2.88 -1.26 -4.72 113.62 113.01 1cyl n SER 98 Ca 0.18 -2.94 -0.26 0.00 -1.33 0.00 0.00 58.87 54.52 1cyl n SER 98 Cb 0.74 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cyl h PRO 100 N 3.66 -0.01 0.00 0.00 0.13 -1.93 -3.47 132.00 130.38 1cyl h PRO 100 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1cyl h PRO 100 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1cyl h PRO 100 CO 0.77 -0.01 0.00 0.28 -0.23 0.00 0.00 178.00 178.81 1cyl n VAL 101 N -2.09 0.00 -3.21 1.56 0.31 -1.26 -5.07 118.33 108.57 1cyl n VAL 101 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.27 1cyl n VAL 101 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1cyl n VAL 101 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cyl n LYS 102 N 0.00 -1.39 0.00 5.55 5.02 -1.26 -5.00 118.16 121.07 1cyl n LYS 102 Ca 0.00 1.33 0.00 0.00 -2.02 0.00 0.00 58.31 57.62 1cyl n LYS 102 Cb 0.00 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 1cyl n LYS 102 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cyl n GLU 103 N -2.02 0.00 0.00 1.97 -0.58 -1.26 -5.03 120.64 113.71 1cyl n GLU 103 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1cyl n GLU 103 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 1cyl n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cyl n ALA 104 N -0.10 1.75 -0.88 0.62 0.00 -1.26 -4.93 120.51 115.70 1cyl n ALA 104 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1cyl n ALA 104 Cb 0.00 0.15 0.08 0.00 0.00 0.00 0.00 19.45 19.68 1cyl n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cyl n ASN 105 N -1.55 -3.02 -4.57 0.00 3.02 -1.26 -4.73 115.26 103.15 1cyl n ASN 105 Ca 0.00 -0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 1cyl n ASN 105 Cb 0.19 -0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 38.57 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1cyl s GLN 106 N -2.55 2.07 0.27 3.52 -0.21 -1.26 -2.39 119.66 119.11 1cyl s GLN 106 Ca 0.44 -1.32 0.05 0.00 0.02 0.00 0.00 55.36 54.56 1cyl s GLN 106 Cb -0.00 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.85 1cyl s GLN 106 CO 0.68 0.42 0.24 0.45 -2.12 0.00 0.00 175.29 174.96 1cyl n SER 107 N -0.12 -0.63 -4.23 5.90 2.88 -0.28 -4.57 113.62 112.57 1cyl n SER 107 Ca -0.10 -2.72 -0.32 0.00 -1.33 0.00 0.00 58.87 54.40 1cyl n SER 107 Cb 0.56 1.41 -0.16 0.00 -0.75 0.00 0.00 64.21 65.27 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 -3.04 2.23 0.25 2.46 -4.23 -1.26 -0.97 115.64 111.09 1cyl s THR 108 Ca 0.31 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1cyl s THR 108 Cb 0.01 -1.88 0.24 0.00 1.34 0.00 0.00 72.50 72.21 1cyl s THR 108 CO 0.22 0.55 1.69 0.25 -0.54 0.00 0.00 174.62 176.79 1cyl h LEU 109 N 6.87 0.09 -0.77 4.79 7.12 -1.21 0.44 115.31 132.65 1cyl h LEU 109 Ca -0.23 0.14 0.16 0.00 0.13 0.00 0.00 57.88 58.08 1cyl h LEU 109 Cb 1.22 0.17 -0.11 0.00 -0.53 0.00 0.00 40.66 41.42 1cyl h LEU 109 CO 0.50 -0.01 0.26 -0.08 -0.13 0.00 0.00 178.44 178.98 1cyl h GLU 110 N 0.31 0.34 0.00 1.25 4.81 -1.83 0.58 114.58 120.05 1cyl h GLU 110 Ca 0.43 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.54 1cyl h GLU 110 Cb 0.74 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1cyl h GLU 110 CO -0.50 0.23 -0.47 -0.97 -0.73 0.00 0.00 179.01 176.57 1cyl h ASN 111 N 0.36 0.00 -0.57 1.04 -1.24 -0.58 -2.46 115.58 112.13 1cyl h ASN 111 Ca 0.44 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.39 1cyl h ASN 111 Cb 0.73 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.76 1cyl h ASN 111 CO -0.47 0.47 0.15 0.15 -1.29 0.00 0.00 177.43 176.44 1cyl h PHE 112 N 0.00 0.97 -0.19 0.67 3.04 0.19 0.41 116.94 122.03 1cyl h PHE 112 Ca -0.00 -0.10 -0.17 0.00 3.98 0.00 0.00 57.97 61.67 1cyl h PHE 112 Cb 0.88 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 1cyl h PHE 112 CO 0.00 0.80 -0.59 -0.07 -2.02 0.00 0.00 178.31 176.43 1cyl h LEU 113 N 0.90 0.70 0.03 0.59 3.38 -1.02 0.12 115.31 120.01 1cyl h LEU 113 Ca 0.20 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1cyl h LEU 113 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1cyl h LEU 113 CO -0.00 1.13 -0.01 -0.08 0.09 0.00 0.00 178.44 179.57 1cyl h GLU 114 N 0.47 -0.04 0.06 1.13 4.22 -0.97 -1.53 114.58 117.93 1cyl h GLU 114 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1cyl h GLU 114 Cb 1.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1cyl h GLU 114 CO 0.11 0.47 -0.03 -0.09 -2.18 0.00 0.00 179.01 177.29 1cyl h ARG 115 N -0.56 -0.08 -0.53 1.92 1.12 -0.24 -0.78 114.38 115.23 1cyl h ARG 115 Ca -0.00 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.92 1cyl h ARG 115 Cb 0.52 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.45 1cyl h ARG 115 CO 0.01 0.09 0.27 1.25 -3.11 0.00 0.00 179.97 178.48 1cyl h LEU 116 N -0.23 0.38 -0.98 3.80 5.85 -0.83 -1.92 115.31 121.37 1cyl h LEU 116 Ca -0.01 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1cyl h LEU 116 Cb 0.21 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1cyl h LEU 116 CO 0.01 0.26 -0.51 0.50 -0.34 0.00 0.00 178.44 178.37 1cyl h LYS 117 N 0.52 0.00 0.02 1.25 1.63 -1.13 -2.78 116.57 116.07 1cyl h LYS 117 Ca 0.23 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1cyl h LYS 117 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1cyl h LYS 117 CO -0.16 0.51 -0.01 1.15 -3.45 0.00 0.00 179.45 177.48 1cyl h THR 118 N 0.00 1.31 -0.44 1.00 2.02 -0.41 -3.02 112.91 113.37 1cyl h THR 118 Ca -0.01 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1cyl h THR 118 Cb 0.90 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1cyl h THR 118 CO 0.07 0.26 0.17 0.40 0.37 0.00 0.00 175.52 176.78 1cyl h ILE 119 N -0.46 1.21 -1.01 3.11 5.03 -1.41 -2.83 117.51 121.15 1cyl h ILE 119 Ca -0.00 -0.64 0.14 0.00 -0.12 0.00 0.00 64.86 64.24 1cyl h ILE 119 Cb 0.44 0.81 -0.09 0.00 -3.03 0.00 0.00 36.82 34.95 1cyl h ILE 119 CO 0.00 0.24 0.63 0.24 -0.68 0.00 0.00 178.15 178.58 1cyl h MET 120 N 0.56 0.90 -0.52 2.37 2.86 -1.54 0.37 114.93 119.93 1cyl h MET 120 Ca 0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1cyl h MET 120 Cb 0.20 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1cyl h MET 120 CO -0.01 0.60 0.34 0.00 1.06 0.00 0.00 176.91 178.90 1cyl h ARG 121 N 0.93 0.68 0.03 1.72 3.08 -1.36 0.22 114.38 119.67 1cyl h ARG 121 Ca 0.52 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.53 1cyl h ARG 121 Cb 0.62 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1cyl h ARG 121 CO -0.30 0.46 -0.01 0.93 -1.07 0.00 0.00 179.97 179.97 1cyl h GLU 122 N 0.70 -0.04 -0.40 0.04 5.08 -0.27 -0.78 114.58 118.92 1cyl h GLU 122 Ca 0.19 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1cyl h GLU 122 Cb -0.08 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1cyl h GLU 122 CO -0.04 0.45 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.00 1cyl h LYS 123 N -0.55 0.76 -0.20 2.33 3.64 -0.98 -2.00 116.57 119.57 1cyl h LYS 123 Ca -0.00 -0.29 -0.14 0.00 -1.27 0.00 0.00 60.65 58.94 1cyl h LYS 123 Cb 0.51 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1cyl h LYS 123 CO 0.01 0.90 -0.47 -0.92 -2.27 0.00 0.00 179.45 176.69 1cyl h TYR 124 N 0.67 0.64 0.38 1.91 3.20 -1.00 0.82 116.97 123.59 1cyl h TYR 124 Ca 0.10 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 1cyl h TYR 124 Cb 0.69 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1cyl h TYR 124 CO 0.04 0.90 -0.18 1.03 -1.64 0.00 0.00 178.16 178.30 1cyl h SER 125 N 0.42 -0.43 -0.74 -2.11 0.87 -0.92 -3.19 113.55 107.45 1cyl h SER 125 Ca 0.02 -0.14 -0.28 0.00 -1.23 0.00 0.00 61.79 60.17 1cyl h SER 125 Cb 0.99 0.11 -0.17 0.00 -0.44 0.00 0.00 62.40 62.89 1cyl h SER 125 CO 0.09 -0.02 0.36 0.29 -0.53 0.00 0.00 176.83 177.02 1cyl n LYS 126 N -5.15 3.01 0.28 2.24 5.02 -0.77 -4.51 118.16 118.28 1cyl n LYS 126 Ca -0.09 -2.71 0.15 0.00 -2.02 0.00 0.00 58.31 53.64 1cyl n LYS 126 Cb 0.28 -2.10 0.71 0.00 -0.02 0.00 0.00 35.03 33.91 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 -4.42 1.58 0.00 0.00 0.15 -1.26 -1.96 113.70 107.80 1cyl s SER 128 Ca -0.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1cyl s SER 128 Cb 0.09 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1cyl s SER 128 CO 0.30 -0.10 0.28 -0.24 1.20 0.00 0.00 173.24 174.68