#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 1.43 0.41 -0.41 3.01 -1.26 -2.82 119.74 120.10 1cyl s LYS 2 Ca 0.00 -1.71 -0.26 0.00 -1.01 0.00 0.00 55.97 52.98 1cyl s LYS 2 Cb 0.00 -0.92 -0.09 0.00 -1.01 0.00 0.00 37.83 35.80 1cyl s LYS 2 CO 0.00 0.00 1.38 0.00 0.51 0.00 0.00 175.35 177.24 1cyl s ASP 4 N -0.52 5.01 0.32 0.00 -1.08 -1.26 -5.01 116.67 114.11 1cyl s ASP 4 Ca 0.56 -0.51 0.12 0.00 -0.52 0.00 0.00 52.55 52.21 1cyl s ASP 4 Cb -0.42 -1.04 0.52 0.00 -1.46 0.00 0.00 42.92 40.52 1cyl s ASP 4 CO 0.54 -0.10 1.70 0.40 0.52 0.00 0.00 175.17 178.23 1cyl h ILE 5 N 1.62 1.33 -0.15 4.11 5.03 -1.99 -2.94 117.51 124.52 1cyl h ILE 5 Ca -0.46 -1.77 0.04 0.00 -0.12 0.00 0.00 64.86 62.55 1cyl h ILE 5 Cb 1.25 1.96 -0.04 0.00 -3.03 0.00 0.00 36.82 36.96 1cyl h ILE 5 CO 0.61 0.50 -0.08 0.74 -0.68 0.00 0.00 178.15 179.24 1cyl h THR 6 N 0.00 0.75 -0.27 -0.27 2.02 -1.99 -0.23 112.91 112.92 1cyl h THR 6 Ca -0.01 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 1cyl h THR 6 Cb 0.92 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1cyl h THR 6 CO 0.07 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.47 1cyl h LEU 7 N -0.07 0.84 -2.03 2.58 -0.00 -1.98 -2.47 115.31 112.19 1cyl h LEU 7 Ca 0.08 -0.52 0.11 0.00 -0.00 0.00 0.00 57.88 57.56 1cyl h LEU 7 Cb 0.19 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1cyl h LEU 7 CO -0.19 1.19 0.28 1.56 -0.00 0.00 0.00 178.44 181.28 1cyl h GLN 8 N 0.51 0.00 -0.00 1.13 4.20 -1.29 -0.62 115.11 119.04 1cyl h GLN 8 Ca 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1cyl h GLN 8 Cb 1.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 1cyl h GLN 8 CO 0.10 0.00 -0.00 0.93 -0.67 0.00 0.00 178.83 179.19 1cyl h GLU 9 N 0.00 0.00 0.05 1.46 5.08 -0.61 -3.10 114.58 117.45 1cyl h GLU 9 Ca 0.18 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1cyl h GLU 9 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1cyl h GLU 9 CO -0.00 0.55 -0.02 0.82 -1.00 0.00 0.00 179.01 179.36 1cyl h ILE 10 N -0.55 1.29 -1.00 3.13 5.03 -0.89 -3.01 117.51 121.50 1cyl h ILE 10 Ca 0.00 -1.17 0.29 0.00 -0.12 0.00 0.00 64.86 63.86 1cyl h ILE 10 Cb 0.55 2.05 -0.04 0.00 -3.03 0.00 0.00 36.82 36.36 1cyl h ILE 10 CO 0.00 0.29 0.75 0.40 -0.68 0.00 0.00 178.15 178.91 1cyl h ILE 11 N -0.59 0.44 -0.13 -0.67 2.04 -1.29 0.29 117.51 117.61 1cyl h ILE 11 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1cyl h ILE 11 Cb 0.52 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1cyl h ILE 11 CO 0.01 0.00 0.04 0.50 0.00 0.00 0.00 178.15 178.70 1cyl h LYS 12 N 0.00 0.20 0.01 2.37 3.64 -1.44 0.82 116.57 122.17 1cyl h LYS 12 Ca 0.47 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1cyl h LYS 12 Cb 1.97 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 1cyl h LYS 12 CO -0.00 0.34 -0.01 1.15 -2.27 0.00 0.00 179.45 178.66 1cyl h THR 13 N 0.03 1.40 0.00 1.00 2.02 -0.52 -2.56 112.91 114.27 1cyl h THR 13 Ca 0.04 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1cyl h THR 13 Cb 0.22 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1cyl h THR 13 CO -0.00 0.32 -0.03 0.25 0.37 0.00 0.00 175.52 176.43 1cyl h LEU 14 N -0.56 0.00 0.01 2.58 5.85 -1.14 -2.37 115.31 119.69 1cyl h LEU 14 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cyl h LEU 14 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1cyl h LEU 14 CO 0.00 0.03 -0.01 -1.13 -0.34 0.00 0.00 178.44 176.99 1cyl h ASN 15 N 0.00 -0.02 -0.19 1.25 -0.73 -0.76 -2.50 115.58 112.64 1cyl h ASN 15 Ca -0.00 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 57.65 1cyl h ASN 15 Cb 0.05 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1cyl h ASN 15 CO 0.00 0.52 0.12 0.28 -0.37 0.00 0.00 177.43 177.99 1cyl h SER 16 N -0.56 0.22 0.01 1.15 0.02 -1.09 -1.94 113.55 111.36 1cyl h SER 16 Ca -0.00 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1cyl h SER 16 Cb 0.54 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1cyl h SER 16 CO 0.00 0.18 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.79 1cyl h LEU 17 N 0.25 0.00 0.01 5.07 3.38 -1.51 -0.83 115.31 121.67 1cyl h LEU 17 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1cyl h LEU 17 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1cyl h LEU 17 CO -0.01 0.01 -0.00 0.71 0.09 0.00 0.00 178.44 179.23 1cyl h THR 18 N 0.00 1.35 -0.04 0.22 1.35 -0.89 -0.97 112.91 113.93 1cyl h THR 18 Ca -0.00 -1.09 0.01 0.00 -0.55 0.00 0.00 66.41 64.78 1cyl h THR 18 Cb 0.01 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1cyl h THR 18 CO 0.00 0.28 0.03 -0.33 -0.25 0.00 0.00 175.52 175.25 1cyl h GLU 19 N -0.48 0.00 -2.73 4.72 4.39 -0.97 -3.37 114.58 116.13 1cyl h GLU 19 Ca -0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1cyl h GLU 19 Cb 0.47 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 28.76 1cyl h GLU 19 CO 0.00 0.00 -0.62 -0.65 -1.16 0.00 0.00 179.01 176.58 1cyl s GLN 20 N -5.05 0.14 -0.39 2.33 -0.21 -0.36 -5.04 119.66 111.09 1cyl s GLN 20 Ca -0.05 0.34 0.11 0.00 0.02 0.00 0.00 55.36 55.78 1cyl s GLN 20 Cb 0.17 -0.87 0.44 0.00 1.00 0.00 0.00 33.01 33.74 1cyl s GLN 20 CO 0.67 -0.53 1.03 1.17 -2.12 0.00 0.00 175.29 175.52 1cyl n LYS 21 N 5.32 2.37 -1.01 2.91 3.00 -0.40 -3.85 118.16 126.50 1cyl n LYS 21 Ca -0.05 -3.93 -0.00 0.00 -0.00 0.00 0.00 58.31 54.32 1cyl n LYS 21 Cb 0.50 -1.79 -0.00 0.00 0.00 0.00 0.00 35.03 33.74 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 -0.28 0.00 -2.24 3.15 -1.04 -1.26 -3.07 114.28 109.53 1cyl n THR 22 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1cyl n THR 22 Cb 0.73 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 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 -0.04 0.00 0.00 -4.42 0.00 -1.26 -4.72 117.00 106.56 1cyl n LEU 23 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 56.01 56.43 1cyl n LEU 23 Cb 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.97 1cyl n LEU 23 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.40 1cyl n THR 25 N -2.21 0.00 -1.48 0.00 -2.24 -1.26 -4.62 114.28 102.47 1cyl n THR 25 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1cyl n THR 25 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1cyl n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cyl n GLU 26 N -0.37 -1.37 0.15 -0.78 -0.58 -1.26 -4.73 120.64 111.69 1cyl n GLU 26 Ca 0.00 0.73 0.12 0.00 -0.42 0.00 0.00 57.16 57.59 1cyl n GLU 26 Cb 0.00 -5.00 0.15 0.00 -0.57 0.00 0.00 31.44 26.02 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1cyl h LEU 27 N 0.00 0.00 -0.08 -4.62 3.38 -1.94 -3.48 115.31 108.57 1cyl h LEU 27 Ca -0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1cyl h LEU 27 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1cyl h LEU 27 CO 0.37 0.02 -0.07 0.41 0.09 0.00 0.00 178.44 179.26 1cyl n THR 28 N -2.71 -1.34 -3.95 0.22 -1.04 -1.26 -4.90 114.28 99.29 1cyl n THR 28 Ca 0.03 0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 62.10 1cyl n THR 28 Cb 0.51 -0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 1cyl n THR 28 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1cyl n VAL 29 N -0.79 0.00 -2.53 12.58 0.31 -0.67 -4.59 118.33 122.65 1cyl n VAL 29 Ca 0.00 -1.48 -0.43 0.00 -0.01 0.00 0.00 64.34 62.42 1cyl n VAL 29 Cb 0.00 0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 33.89 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 -2.66 4.43 -0.99 2.52 2.01 -1.26 -1.94 115.64 117.75 1cyl s THR 30 Ca 0.24 1.73 -0.24 0.00 0.31 0.00 0.00 61.69 63.73 1cyl s THR 30 Cb -0.02 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1cyl s THR 30 CO 0.17 -0.06 1.92 -0.62 -0.69 0.00 0.00 174.62 175.34 1cyl s ASP 31 N 1.48 5.21 -0.14 3.53 2.15 -1.26 -4.70 116.67 122.93 1cyl s ASP 31 Ca 0.52 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 52.49 1cyl s ASP 31 Cb -0.21 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 39.98 1cyl s ASP 31 CO 0.17 -2.75 1.55 2.30 -0.17 0.00 0.00 175.17 176.27 1cyl n ILE 32 N 7.78 1.91 -2.48 4.11 -5.35 -1.26 -3.97 119.36 120.09 1cyl n ILE 32 Ca 0.41 -0.74 -0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1cyl n ILE 32 Cb 0.47 -1.09 0.05 0.00 -1.74 0.00 0.00 39.64 37.33 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 0.42 0.76 -2.93 4.28 3.72 -1.26 -4.84 117.46 117.61 1cyl n PHE 33 Ca 0.15 -1.41 -0.14 0.00 -0.05 0.00 0.00 57.45 56.01 1cyl n PHE 33 Cb 0.69 -0.21 0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.22 0.32 0.00 4.37 0.00 -1.25 -4.92 120.51 118.81 1cyl n ALA 34 Ca 0.12 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1cyl n ALA 34 Cb 0.95 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 0.79 0.00 -3.47 0.00 0.00 -1.26 -4.96 120.51 111.60 1cyl n ALA 35 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1cyl n ALA 35 Cb 0.65 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.18 1cyl n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cyl n SER 36 N 0.00 -3.88 -0.20 0.00 2.88 -1.26 -4.85 113.62 106.31 1cyl n SER 36 Ca 0.00 -0.57 0.03 0.00 -1.33 0.00 0.00 58.87 57.00 1cyl n SER 36 Cb 0.00 -4.98 0.11 0.00 -0.75 0.00 0.00 64.21 58.59 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyl n LYS 37 N -4.42 1.26 -0.52 -1.46 4.81 -1.26 -3.61 118.16 112.96 1cyl n LYS 37 Ca -0.16 -0.40 0.04 0.00 -0.87 0.00 0.00 58.31 56.93 1cyl n LYS 37 Cb 0.62 -1.12 0.23 0.00 0.02 0.00 0.00 35.03 34.78 1cyl n LYS 37 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1cyl n ASN 38 N -0.21 3.71 -3.38 3.14 4.13 -1.26 -4.90 115.26 116.50 1cyl n ASN 38 Ca 0.05 -2.53 -0.12 0.00 1.68 0.00 0.00 54.58 53.66 1cyl n ASN 38 Cb 0.10 -0.60 0.06 0.00 -1.54 0.00 0.00 39.78 37.80 1cyl n ASN 38 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1cyl n THR 39 N 0.37 0.00 -1.49 3.41 5.66 -1.24 -4.98 114.28 116.01 1cyl n THR 39 Ca 0.16 -0.86 -0.50 0.00 -3.05 0.00 0.00 64.05 59.80 1cyl n THR 39 Cb 0.79 -1.07 -0.04 0.00 -1.55 0.00 0.00 70.33 68.46 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 -2.10 1.38 -0.35 1.09 -1.04 -1.26 -4.81 114.28 107.19 1cyl n THR 40 Ca 0.09 -0.35 -0.01 0.00 -2.04 0.00 0.00 64.05 61.75 1cyl n THR 40 Cb 0.31 -0.34 0.13 0.00 -1.82 0.00 0.00 70.33 68.61 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 2.05 1.16 -0.63 -2.82 4.39 -1.93 -0.31 114.58 116.48 1cyl h GLU 41 Ca -0.37 -0.07 0.18 0.00 0.34 0.00 0.00 59.36 59.44 1cyl h GLU 41 Cb 1.40 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1cyl h GLU 41 CO 0.62 0.77 0.46 0.87 -1.16 0.00 0.00 179.01 180.56 1cyl h LYS 42 N 1.19 0.00 -0.35 2.33 1.57 -1.87 0.34 116.57 119.79 1cyl h LYS 42 Ca 0.37 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1cyl h LYS 42 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1cyl h LYS 42 CO -0.12 0.00 -0.13 1.49 -0.57 0.00 0.00 179.45 180.12 1cyl h GLU 43 N 0.00 0.70 0.00 3.15 4.81 -1.37 -2.19 114.58 119.68 1cyl h GLU 43 Ca 0.30 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1cyl h GLU 43 Cb 1.21 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1cyl h GLU 43 CO -0.00 0.88 -0.04 0.00 -0.73 0.00 0.00 179.01 179.12 1cyl h THR 44 N 0.48 0.96 0.00 0.32 1.03 -0.92 0.66 112.91 115.45 1cyl h THR 44 Ca 0.08 -0.14 -0.10 0.00 -0.01 0.00 0.00 66.41 66.23 1cyl h THR 44 Cb 0.65 1.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.79 1cyl h THR 44 CO 0.04 0.04 -0.50 -0.26 -0.01 0.00 0.00 175.52 174.84 1cyl h PHE 45 N 0.00 0.00 0.08 0.00 0.04 -0.92 -0.94 116.94 115.19 1cyl h PHE 45 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1cyl h PHE 45 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1cyl h PHE 45 CO 0.00 0.50 -0.04 0.00 -0.60 0.00 0.00 178.31 178.17 1cyl h ARG 47 N -0.50 0.55 -0.05 0.00 9.65 -1.52 -2.82 114.38 119.69 1cyl h ARG 47 Ca -0.01 -0.34 -0.12 0.00 -1.10 0.00 0.00 59.98 58.42 1cyl h ARG 47 Cb 0.43 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1cyl h ARG 47 CO 0.02 0.94 -0.51 0.00 2.80 0.00 0.00 179.97 183.22 1cyl h ALA 48 N 1.00 1.06 -0.21 2.80 0.00 -1.16 -2.91 119.26 119.82 1cyl h ALA 48 Ca 0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1cyl h ALA 48 Cb 1.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cyl h ALA 48 CO 0.10 0.65 -0.49 0.00 0.00 0.00 0.00 179.25 179.51 1cyl h ALA 49 N 1.38 0.75 -0.59 0.00 0.00 -0.83 -2.37 119.26 117.60 1cyl h ALA 49 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1cyl h ALA 49 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1cyl h ALA 49 CO 0.07 0.67 0.06 1.15 0.00 0.00 0.00 179.25 181.21 1cyl h THR 50 N 0.45 1.25 0.03 0.00 2.02 -1.31 -1.78 112.91 113.58 1cyl h THR 50 Ca 0.02 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1cyl h THR 50 Cb 1.02 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1cyl h THR 50 CO 0.09 0.37 -0.02 -0.37 0.37 0.00 0.00 175.52 175.97 1cyl h VAL 51 N 0.91 1.33 -0.26 3.16 -1.51 -1.38 -1.81 116.25 116.68 1cyl h VAL 51 Ca 0.18 -1.21 0.08 0.00 -1.23 0.00 0.00 66.70 64.52 1cyl h VAL 51 Cb 0.44 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1cyl h VAL 51 CO 0.02 0.30 0.19 -0.07 -1.23 0.00 0.00 177.57 176.78 1cyl h LEU 52 N -0.58 0.00 0.03 4.19 3.38 -1.41 -0.26 115.31 120.67 1cyl h LEU 52 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cyl h LEU 52 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1cyl h LEU 52 CO 0.01 0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.43 1cyl h ARG 53 N 0.00 -0.04 0.00 1.13 1.12 -1.10 -2.26 114.38 113.23 1cyl h ARG 53 Ca 0.12 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.93 1cyl h ARG 53 Cb 0.51 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 1cyl h ARG 53 CO -0.00 0.38 -0.31 1.96 -3.11 0.00 0.00 179.97 178.89 1cyl h GLN 54 N -0.48 0.00 0.09 0.20 4.20 -0.51 -2.59 115.11 116.03 1cyl h GLN 54 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1cyl h GLN 54 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1cyl h GLN 54 CO 0.01 0.31 -0.04 0.35 -0.67 0.00 0.00 178.83 178.78 1cyl h PHE 55 N 0.00 -0.11 -0.18 2.96 3.57 -1.01 -2.37 116.94 119.80 1cyl h PHE 55 Ca -0.00 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.33 1cyl h PHE 55 Cb 0.59 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1cyl h PHE 55 CO 0.00 0.35 -0.57 0.10 -2.23 0.00 0.00 178.31 175.96 1cyl h TYR 56 N -0.64 0.69 -0.19 0.41 -0.00 -1.41 -1.52 116.97 114.32 1cyl h TYR 56 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 58.73 58.39 1cyl h TYR 56 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 37.11 1cyl h TYR 56 CO 0.09 0.99 -0.18 0.66 -0.00 0.00 0.00 178.16 179.71 1cyl h SER 57 N 0.42 0.49 -0.28 0.10 4.64 -1.55 -1.73 113.55 115.64 1cyl h SER 57 Ca 0.00 -0.47 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 1cyl h SER 57 Cb 1.12 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1cyl h SER 57 CO 0.11 0.86 -0.46 -0.74 -0.87 0.00 0.00 176.83 175.73 1cyl h HIS 58 N 0.12 1.00 -0.33 4.77 2.76 -1.47 -3.28 115.15 118.71 1cyl h HIS 58 Ca 0.03 -0.34 -0.18 0.00 -2.20 0.00 0.00 60.37 57.68 1cyl h HIS 58 Cb 0.72 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 1cyl h HIS 58 CO 0.08 1.15 -0.49 0.45 -1.30 0.00 0.00 177.93 177.82 1cyl h HIS 59 N 0.56 1.12 -1.99 5.26 -0.00 -1.33 -3.05 115.15 115.73 1cyl h HIS 59 Ca 0.02 -0.38 0.58 0.00 -0.00 0.00 0.00 60.37 60.59 1cyl h HIS 59 Cb 1.06 -0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 28.17 1cyl h HIS 59 CO 0.08 1.21 1.43 1.05 -0.00 0.00 0.00 177.93 181.70 1cyl h GLU 60 N 0.71 0.00 -2.56 2.45 -0.00 -1.37 -3.17 114.58 110.64 1cyl h GLU 60 Ca 0.03 -0.00 -0.42 0.00 -0.00 0.00 0.00 59.36 58.97 1cyl h GLU 60 Cb 1.09 -0.00 -0.37 0.00 -0.00 0.00 0.00 28.75 29.47 1cyl h GLU 60 CO 0.11 0.00 -0.70 -1.59 -0.00 0.00 0.00 179.01 176.83 1cyl s LYS 61 N -4.87 0.22 0.00 1.06 0.00 -1.15 -4.91 119.74 110.10 1cyl s LYS 61 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1cyl s LYS 61 Cb 0.27 -1.07 0.00 0.00 0.00 0.00 0.00 37.83 37.03 1cyl s LYS 61 CO 0.90 -0.93 0.00 -3.47 0.00 0.00 0.00 175.35 171.85 1cyl n ASP 62 N 5.28 -0.00 -2.40 0.03 2.03 -1.20 -4.89 116.55 115.41 1cyl n ASP 62 Ca -0.05 -0.01 -0.01 0.00 0.52 0.00 0.00 54.79 55.24 1cyl n ASP 62 Cb 0.45 0.00 -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 0.35 -1.92 0.00 0.00 177.20 175.63 1cyl n THR 63 N 0.00 -0.06 -3.67 5.18 -2.24 -1.26 -4.82 114.28 107.41 1cyl n THR 63 Ca -0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1cyl n THR 63 Cb 0.15 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.09 1cyl n THR 63 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1cyl s ARG 64 N -4.81 2.46 0.00 -0.78 0.52 -1.26 -4.51 118.95 110.57 1cyl s ARG 64 Ca 0.00 -2.16 0.00 0.00 -0.52 0.00 0.00 55.73 53.05 1cyl s ARG 64 Cb 0.00 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.69 1cyl s ARG 64 CO 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 175.30 174.16 1cyl h LEU 66 N 0.00 -0.30 0.00 0.00 4.07 -1.91 -3.47 115.31 113.70 1cyl h LEU 66 Ca 0.00 0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1cyl h LEU 66 Cb 0.00 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1cyl h LEU 66 CO 0.00 -0.24 0.00 0.61 -1.08 0.00 0.00 178.44 177.73 1cyl n GLY 67 N -1.44 1.89 0.00 0.83 0.00 -1.26 -4.12 105.19 101.10 1cyl n GLY 67 Ca 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -2.37 4.61 0.00 -1.26 -5.04 120.51 116.45 1cyl n ALA 68 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1cyl n ALA 68 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1cyl n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cyl s THR 69 N 0.00 3.87 0.57 0.00 2.01 -1.26 -4.85 115.64 115.98 1cyl s THR 69 Ca 0.00 1.34 0.32 0.00 0.31 0.00 0.00 61.69 63.66 1cyl s THR 69 Cb 0.00 -3.86 0.45 0.00 0.01 0.00 0.00 72.50 69.10 1cyl s THR 69 CO 0.00 0.10 1.76 0.00 -0.69 0.00 0.00 174.62 175.79 1cyl h ALA 70 N 6.80 2.70 -0.01 7.40 0.00 -1.99 0.39 119.26 134.56 1cyl h ALA 70 Ca -0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1cyl h ALA 70 Cb 1.21 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cyl h ALA 70 CO 0.82 -1.20 -0.02 0.37 0.00 0.00 0.00 179.25 179.23 1cyl h GLN 71 N 0.00 0.03 -0.07 0.00 -0.00 -2.00 -2.93 115.11 110.14 1cyl h GLN 71 Ca 0.41 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 59.06 1cyl h GLN 71 Cb 1.93 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.40 1cyl h GLN 71 CO -0.00 0.52 0.05 1.96 0.00 0.00 0.00 178.83 181.36 1cyl h GLN 72 N -0.45 0.00 -0.57 1.69 1.08 -0.63 -0.54 115.11 115.68 1cyl h GLN 72 Ca 0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1cyl h GLN 72 Cb 0.52 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1cyl h GLN 72 CO 0.00 0.00 0.38 0.35 -0.95 0.00 0.00 178.83 178.61 1cyl h PHE 73 N 0.00 0.53 -0.74 2.96 3.57 -1.05 -0.02 116.94 122.19 1cyl h PHE 73 Ca 0.03 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1cyl h PHE 73 Cb 0.13 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1cyl h PHE 73 CO 0.00 0.29 0.50 1.25 -2.23 0.00 0.00 178.31 178.12 1cyl h HIS 74 N 0.53 0.45 -0.24 0.41 2.76 -1.09 0.37 115.15 118.34 1cyl h HIS 74 Ca 0.24 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.28 1cyl h HIS 74 Cb 0.28 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1cyl h HIS 74 CO -0.00 0.17 -0.45 -0.09 -1.30 0.00 0.00 177.93 176.26 1cyl h ARG 75 N 0.38 0.61 -0.07 5.26 2.43 -1.12 -1.17 114.38 120.71 1cyl h ARG 75 Ca 0.36 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1cyl h ARG 75 Cb 0.87 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1cyl h ARG 75 CO -0.11 0.94 0.03 1.25 -1.51 0.00 0.00 179.97 180.57 1cyl h HIS 76 N 0.49 0.09 0.00 2.20 2.76 -0.19 -1.76 115.15 118.75 1cyl h HIS 76 Ca 0.03 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1cyl h HIS 76 Cb 0.97 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 1cyl h HIS 76 CO 0.04 0.17 -0.31 0.87 -1.30 0.00 0.00 177.93 177.40 1cyl h LYS 77 N -0.01 0.00 0.03 5.26 1.57 -1.25 -2.00 116.57 120.17 1cyl h LYS 77 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1cyl h LYS 77 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1cyl h LYS 77 CO -0.00 0.31 -0.02 0.37 -0.57 0.00 0.00 179.45 179.54 1cyl h GLN 78 N 0.00 -0.04 -0.12 3.15 4.15 -0.67 -0.21 115.11 121.36 1cyl h GLN 78 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1cyl h GLN 78 Cb 0.56 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1cyl h GLN 78 CO 0.04 0.20 -0.21 1.37 -1.93 0.00 0.00 178.83 178.30 1cyl h LEU 79 N -0.29 0.20 -0.89 -2.39 8.10 -1.20 -1.46 115.31 117.38 1cyl h LEU 79 Ca -0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 57.88 57.82 1cyl h LEU 79 Cb 0.26 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.42 1cyl h LEU 79 CO 0.01 0.42 -0.54 0.40 -4.11 0.00 0.00 178.44 174.62 1cyl h ILE 80 N 0.19 1.38 -0.21 0.15 1.08 -1.07 0.26 117.51 119.29 1cyl h ILE 80 Ca 0.03 -1.84 -0.10 0.00 -0.39 0.00 0.00 64.86 62.56 1cyl h ILE 80 Cb 0.49 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1cyl h ILE 80 CO 0.03 0.53 -0.27 -0.09 -0.69 0.00 0.00 178.15 177.66 1cyl h ARG 81 N 0.03 0.55 -0.07 2.37 2.43 -0.07 -1.32 114.38 118.31 1cyl h ARG 81 Ca -0.00 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 1cyl h ARG 81 Cb 0.96 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1cyl h ARG 81 CO 0.07 0.91 -0.52 0.74 -1.51 0.00 0.00 179.97 179.67 1cyl h PHE 82 N 0.23 0.24 0.06 2.20 0.04 -1.14 -0.70 116.94 117.87 1cyl h PHE 82 Ca 0.03 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1cyl h PHE 82 Cb 0.84 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1cyl h PHE 82 CO 0.08 0.67 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.37 1cyl h LEU 83 N 0.15 -0.07 -1.35 1.54 3.38 -0.34 -2.26 115.31 116.36 1cyl h LEU 83 Ca 0.00 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.81 1cyl h LEU 83 Cb 0.97 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1cyl h LEU 83 CO 0.08 0.22 0.51 0.50 0.09 0.00 0.00 178.44 179.83 1cyl h LYS 84 N -0.37 0.72 -0.73 1.13 3.11 -1.14 0.39 116.57 119.68 1cyl h LYS 84 Ca -0.01 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1cyl h LYS 84 Cb 0.32 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 1cyl h LYS 84 CO 0.01 0.48 0.48 0.00 -2.81 0.00 0.00 179.45 177.61 1cyl h ARG 85 N 0.74 0.89 -0.14 1.90 3.08 -0.68 -0.46 114.38 119.71 1cyl h ARG 85 Ca 0.35 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 1cyl h ARG 85 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1cyl h ARG 85 CO -0.13 0.59 -0.51 1.25 -1.07 0.00 0.00 179.97 180.10 1cyl h LEU 86 N 0.92 0.43 -0.11 3.04 5.85 0.28 -2.40 115.31 123.32 1cyl h LEU 86 Ca 0.28 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1cyl h LEU 86 Cb -0.01 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1cyl h LEU 86 CO -0.07 0.87 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.98 1cyl h ASP 87 N 0.31 0.31 -0.43 1.25 3.58 0.26 -0.39 116.42 121.31 1cyl h ASP 87 Ca 0.01 -0.50 -0.02 0.00 0.42 0.00 0.00 57.03 56.94 1cyl h ASP 87 Cb 1.01 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1cyl h ASP 87 CO 0.09 0.75 0.18 -0.09 -2.88 0.00 0.00 179.24 177.29 1cyl h ARG 88 N -0.13 0.64 -0.07 0.28 2.43 -1.32 -2.97 114.38 113.24 1cyl h ARG 88 Ca 0.01 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1cyl h ARG 88 Cb 0.67 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1cyl h ARG 88 CO 0.03 0.58 -0.10 -0.97 -1.51 0.00 0.00 179.97 178.00 1cyl h ASN 89 N 0.56 0.21 -0.89 -3.80 -0.73 -1.47 -3.13 115.58 106.32 1cyl h ASN 89 Ca 0.15 -0.53 0.26 0.00 1.87 0.00 0.00 56.30 58.05 1cyl h ASN 89 Cb 0.17 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.66 1cyl h ASN 89 CO -0.01 0.70 0.67 0.25 -0.37 0.00 0.00 177.43 178.66 1cyl h LEU 90 N -0.27 0.00 -0.55 0.34 5.85 -1.04 0.27 115.31 119.90 1cyl h LEU 90 Ca 0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1cyl h LEU 90 Cb 0.65 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1cyl h LEU 90 CO 0.02 0.00 -0.48 -0.50 -0.34 0.00 0.00 178.44 177.14 1cyl h TRP 91 N 0.00 0.74 0.01 1.25 4.06 -1.46 -1.26 115.95 119.29 1cyl h TRP 91 Ca 0.43 -0.24 -0.00 0.00 2.06 0.00 0.00 58.89 61.13 1cyl h TRP 91 Cb 1.75 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.76 1cyl h TRP 91 CO 0.00 0.97 -0.00 0.78 -3.56 0.00 0.00 178.44 176.62 1cyl h GLY 92 N 1.02 -0.01 1.01 1.49 0.00 -0.57 -2.66 103.07 103.35 1cyl h GLY 92 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1cyl h GLY 92 CO 0.09 -0.00 0.50 -2.00 0.00 0.00 0.00 176.54 175.13 1cyl h LEU 93 N -0.57 0.98 0.69 3.11 6.46 -1.43 -3.04 115.31 121.50 1cyl h LEU 93 Ca -0.00 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1cyl h LEU 93 Cb 0.55 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1cyl h LEU 93 CO 0.00 0.75 -0.43 0.00 -0.62 0.00 0.00 178.44 178.15 1cyl h ALA 94 N 1.27 -1.23 0.00 1.25 0.00 -1.25 -3.47 119.26 115.83 1cyl h ALA 94 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cyl h ALA 94 Cb -0.05 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1cyl h ALA 94 CO -0.06 -1.19 0.00 0.41 0.00 0.00 0.00 179.25 178.42 1cyl n GLY 95 N -1.54 2.70 3.70 0.00 0.00 -1.01 -4.79 105.19 104.25 1cyl n GLY 95 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 3.16 -0.21 0.99 2.96 -1.26 -5.05 118.68 119.27 1cyl s LEU 96 Ca 0.00 -0.86 0.22 0.00 -0.22 0.00 0.00 54.13 53.27 1cyl s LEU 96 Cb 0.00 -1.59 0.46 0.00 0.50 0.00 0.00 46.19 45.56 1cyl s LEU 96 CO 0.00 -0.28 1.17 -3.20 -1.32 0.00 0.00 176.35 172.72 1cyl n ASN 97 N -1.08 0.99 -3.20 3.68 5.15 -1.26 -4.93 115.26 114.60 1cyl n ASN 97 Ca -0.03 -2.04 -0.24 0.00 -0.60 0.00 0.00 54.58 51.67 1cyl n ASN 97 Cb 0.62 -0.27 -0.07 0.00 -0.53 0.00 0.00 39.78 39.52 1cyl n ASN 97 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1cyl n SER 98 N -0.47 0.34 -3.26 1.20 7.64 -1.26 -5.00 113.62 112.81 1cyl n SER 98 Ca 0.02 -2.73 -0.24 0.00 1.01 0.00 0.00 58.87 56.94 1cyl n SER 98 Cb 0.88 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cyl n PRO 100 N 2.37 1.45 0.00 0.00 -0.04 -1.26 -4.57 135.00 132.95 1cyl n PRO 100 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1cyl n PRO 100 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.35 0.00 -3.21 0.52 0.24 -1.26 -4.92 118.33 109.35 1cyl n VAL 101 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1cyl n VAL 101 Cb 0.00 -0.23 0.01 0.00 -1.47 0.00 0.00 33.84 32.15 1cyl n VAL 101 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1cyl n LYS 102 N 0.00 -1.47 0.00 7.34 4.76 -1.26 -5.01 118.16 122.52 1cyl n LYS 102 Ca 0.00 1.27 0.00 0.00 -2.87 0.00 0.00 58.31 56.71 1cyl n LYS 102 Cb 0.00 -5.26 0.00 0.00 -1.84 0.00 0.00 35.03 27.93 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1cyl n GLU 103 N -2.20 0.00 0.00 1.97 4.07 -1.26 -5.12 120.64 118.10 1cyl n GLU 103 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1cyl n GLU 103 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1cyl n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cyl n ALA 104 N 0.00 0.00 -0.12 4.31 0.00 -1.26 -4.97 120.51 118.46 1cyl n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyl n ALA 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cyl n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cyl n ASN 105 N -0.25 -0.61 0.00 0.00 2.85 -1.26 -4.64 115.26 111.35 1cyl n ASN 105 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1cyl n ASN 105 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cyl n GLN 106 N -0.16 0.00 -2.24 1.20 10.64 -1.26 -4.75 117.38 120.81 1cyl n GLN 106 Ca 0.00 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.14 1cyl n GLN 106 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 1cyl n GLN 106 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1cyl n SER 107 N 0.00 -0.11 -4.25 2.61 3.41 -0.82 -4.58 113.62 109.88 1cyl n SER 107 Ca 0.00 -1.29 -0.29 0.00 -0.26 0.00 0.00 58.87 57.03 1cyl n SER 107 Cb 0.00 0.25 -0.16 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.23 1.78 0.26 6.66 -4.23 -1.26 -1.67 115.64 114.95 1cyl s THR 108 Ca 0.05 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1cyl s THR 108 Cb 0.00 -1.48 0.25 0.00 1.34 0.00 0.00 72.50 72.61 1cyl s THR 108 CO 0.04 0.50 1.71 0.25 -0.54 0.00 0.00 174.62 176.58 1cyl h LEU 109 N 5.60 0.27 -0.64 4.79 7.12 -1.91 0.16 115.31 130.70 1cyl h LEU 109 Ca -0.40 0.13 0.13 0.00 0.13 0.00 0.00 57.88 57.87 1cyl h LEU 109 Cb 1.13 0.12 -0.10 0.00 -0.53 0.00 0.00 40.66 41.28 1cyl h LEU 109 CO 0.48 0.06 0.04 -0.08 -0.13 0.00 0.00 178.44 178.80 1cyl h GLU 110 N 0.42 0.15 0.00 1.25 4.22 -1.95 0.46 114.58 119.12 1cyl h GLU 110 Ca 0.47 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.81 1cyl h GLU 110 Cb 0.78 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1cyl h GLU 110 CO -0.46 0.10 -0.44 -0.97 -2.18 0.00 0.00 179.01 175.06 1cyl h ASN 111 N 0.15 0.00 -0.45 1.04 -0.73 -1.16 -2.67 115.58 111.76 1cyl h ASN 111 Ca 0.34 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.45 1cyl h ASN 111 Cb 0.56 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1cyl h ASN 111 CO -0.52 0.44 0.08 0.15 -0.37 0.00 0.00 177.43 177.21 1cyl h PHE 112 N 0.00 0.85 -0.20 0.67 3.04 0.14 0.35 116.94 121.80 1cyl h PHE 112 Ca -0.00 -0.09 -0.17 0.00 3.98 0.00 0.00 57.97 61.69 1cyl h PHE 112 Cb 0.86 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1cyl h PHE 112 CO 0.00 0.74 -0.56 -0.07 -2.02 0.00 0.00 178.31 176.40 1cyl h LEU 113 N 0.78 0.67 0.04 0.59 3.38 -1.01 0.14 115.31 119.89 1cyl h LEU 113 Ca 0.16 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1cyl h LEU 113 Cb 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1cyl h LEU 113 CO 0.01 1.09 -0.02 -0.08 0.09 0.00 0.00 178.44 179.53 1cyl h GLU 114 N 0.46 -0.05 0.05 1.13 4.22 -1.08 -1.43 114.58 117.88 1cyl h GLU 114 Ca 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1cyl h GLU 114 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1cyl h GLU 114 CO 0.11 0.47 -0.02 -0.09 -2.18 0.00 0.00 179.01 177.29 1cyl h ARG 115 N -0.59 -0.06 -0.54 1.92 1.12 -0.36 -0.54 114.38 115.33 1cyl h ARG 115 Ca -0.00 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.94 1cyl h ARG 115 Cb 0.53 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.45 1cyl h ARG 115 CO 0.01 0.12 0.23 1.25 -3.11 0.00 0.00 179.97 178.47 1cyl h LEU 116 N -0.24 0.28 -1.31 3.80 5.85 -0.80 -0.51 115.31 122.38 1cyl h LEU 116 Ca -0.01 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1cyl h LEU 116 Cb 0.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1cyl h LEU 116 CO 0.01 0.19 -0.35 0.50 -0.34 0.00 0.00 178.44 178.45 1cyl h LYS 117 N 0.44 0.00 -0.90 1.25 3.64 -1.04 -2.80 116.57 117.15 1cyl h LYS 117 Ca 0.25 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.74 1cyl h LYS 117 Cb 0.24 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 1cyl h LYS 117 CO -0.23 0.35 0.54 1.15 -2.27 0.00 0.00 179.45 178.98 1cyl h THR 118 N 0.00 0.91 -0.12 1.00 2.02 0.59 -1.65 112.91 115.66 1cyl h THR 118 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1cyl h THR 118 Cb 0.61 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1cyl h THR 118 CO 0.04 0.16 -0.13 0.40 0.37 0.00 0.00 175.52 176.36 1cyl h ILE 119 N 0.87 1.36 -0.84 3.11 5.03 -1.37 -3.07 117.51 122.60 1cyl h ILE 119 Ca 0.44 -1.31 0.13 0.00 -0.12 0.00 0.00 64.86 64.00 1cyl h ILE 119 Cb 0.42 1.94 -0.06 0.00 -3.03 0.00 0.00 36.82 36.09 1cyl h ILE 119 CO -0.26 0.38 0.55 0.24 -0.68 0.00 0.00 178.15 178.38 1cyl h MET 120 N -0.09 0.64 -0.40 2.37 2.86 -1.36 0.38 114.93 119.33 1cyl h MET 120 Ca 0.02 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1cyl h MET 120 Cb 0.67 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1cyl h MET 120 CO 0.03 0.42 0.08 0.00 1.06 0.00 0.00 176.91 178.51 1cyl h ARG 121 N 0.66 0.60 0.04 1.72 -0.00 -1.25 -0.32 114.38 115.83 1cyl h ARG 121 Ca 0.41 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.98 59.78 1cyl h ARG 121 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.53 1cyl h ARG 121 CO -0.17 0.56 -0.02 0.93 0.00 0.00 0.00 179.97 181.27 1cyl h GLU 122 N 0.59 -0.05 -0.54 0.04 5.08 -0.21 0.44 114.58 119.93 1cyl h GLU 122 Ca 0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1cyl h GLU 122 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1cyl h GLU 122 CO -0.00 0.39 -0.04 0.87 -1.00 0.00 0.00 179.01 179.23 1cyl h LYS 123 N -0.50 0.95 0.00 2.33 1.57 -1.09 -2.51 116.57 117.32 1cyl h LYS 123 Ca -0.01 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1cyl h LYS 123 Cb 0.46 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1cyl h LYS 123 CO 0.01 0.96 -0.53 -0.92 -0.57 0.00 0.00 179.45 178.40 1cyl h TYR 124 N 0.87 0.00 -0.28 -1.35 3.20 -1.08 -2.62 116.97 115.71 1cyl h TYR 124 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1cyl h TYR 124 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1cyl h TYR 124 CO 0.04 0.53 0.00 0.45 -1.64 0.00 0.00 178.16 177.53 1cyl n SER 125 N -3.91 2.72 -2.06 -2.11 2.88 0.14 -4.00 113.62 107.29 1cyl n SER 125 Ca -0.01 -2.29 -0.16 0.00 -1.33 0.00 0.00 58.87 55.08 1cyl n SER 125 Cb 0.54 -0.47 0.21 0.00 -0.75 0.00 0.00 64.21 63.74 1cyl n SER 125 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyl n LYS 126 N 0.34 2.71 -0.09 -1.46 4.81 -0.99 -4.36 118.16 119.13 1cyl n LYS 126 Ca 0.12 -2.81 0.03 0.00 -0.87 0.00 0.00 58.31 54.79 1cyl n LYS 126 Cb 0.56 -2.12 0.09 0.00 0.02 0.00 0.00 35.03 33.58 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl n SER 128 N 0.05 -0.42 -0.18 0.00 7.64 -1.13 -4.25 113.62 115.33 1cyl n SER 128 Ca 0.06 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.10 1cyl n SER 128 Cb 0.16 0.00 0.79 0.00 -1.01 0.00 0.00 64.21 64.15 1cyl n SER 128 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79