#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 -2.10 -4.20 -0.41 3.00 -1.26 -4.95 118.16 108.23 1cyl n LYS 2 Ca 0.00 1.70 -0.28 0.00 -0.00 0.00 0.00 58.31 59.72 1cyl n LYS 2 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 35.03 32.61 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cyl s ASP 4 N -2.56 5.64 0.32 0.00 2.15 -1.26 -5.01 116.67 115.96 1cyl s ASP 4 Ca 0.25 -0.30 0.12 0.00 0.43 0.00 0.00 52.55 53.05 1cyl s ASP 4 Cb -0.10 -1.21 0.54 0.00 -0.30 0.00 0.00 42.92 41.84 1cyl s ASP 4 CO 0.17 -0.30 1.71 0.40 -0.17 0.00 0.00 175.17 176.98 1cyl h ILE 5 N 1.17 1.32 -0.18 4.11 5.03 -2.00 -3.18 117.51 123.79 1cyl h ILE 5 Ca -0.46 -1.72 0.04 0.00 -0.12 0.00 0.00 64.86 62.59 1cyl h ILE 5 Cb 1.25 1.94 -0.04 0.00 -3.03 0.00 0.00 36.82 36.94 1cyl h ILE 5 CO 0.57 0.49 -0.08 0.74 -0.68 0.00 0.00 178.15 179.19 1cyl h THR 6 N 0.00 0.74 0.07 -0.27 2.02 -1.99 -0.62 112.91 112.87 1cyl h THR 6 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1cyl h THR 6 Cb 0.90 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1cyl h THR 6 CO 0.06 0.00 -0.04 0.17 0.37 0.00 0.00 175.52 176.09 1cyl h LEU 7 N -0.06 -0.08 -2.00 2.58 -0.00 -1.98 -1.58 115.31 112.19 1cyl h LEU 7 Ca 0.10 -0.37 0.19 0.00 -0.00 0.00 0.00 57.88 57.79 1cyl h LEU 7 Cb 0.20 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 1cyl h LEU 7 CO -0.22 0.34 0.48 0.06 -0.00 0.00 0.00 178.44 179.10 1cyl h GLN 8 N -0.53 0.00 -0.17 0.17 3.07 -1.52 0.49 115.11 116.63 1cyl h GLN 8 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.63 1cyl h GLN 8 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 1cyl h GLN 8 CO 0.02 0.00 -0.28 0.93 0.09 0.00 0.00 178.83 179.59 1cyl h GLU 9 N 0.00 0.48 -0.30 0.06 5.08 -0.74 -3.23 114.58 115.93 1cyl h GLU 9 Ca 0.30 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1cyl h GLU 9 Cb 1.25 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 1cyl h GLU 9 CO -0.00 0.90 -0.15 0.82 -1.00 0.00 0.00 179.01 179.58 1cyl h ILE 10 N 0.12 0.55 -0.73 3.13 1.08 0.11 0.22 117.51 121.98 1cyl h ILE 10 Ca 0.01 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.64 1cyl h ILE 10 Cb 0.86 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 1cyl h ILE 10 CO 0.06 0.00 0.50 0.40 -0.69 0.00 0.00 178.15 178.42 1cyl h ILE 11 N -0.10 0.76 -0.63 -0.67 2.04 -1.60 0.17 117.51 117.48 1cyl h ILE 11 Ca 0.16 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1cyl h ILE 11 Cb 0.34 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1cyl h ILE 11 CO -0.37 0.06 0.37 0.50 0.00 0.00 0.00 178.15 178.70 1cyl h LYS 12 N 0.32 0.86 0.01 2.37 3.11 -0.59 -1.65 116.57 121.01 1cyl h LYS 12 Ca 0.36 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 58.11 1cyl h LYS 12 Cb 0.94 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 1cyl h LYS 12 CO -0.10 0.63 -0.01 1.15 -2.81 0.00 0.00 179.45 178.31 1cyl h THR 13 N 0.85 1.40 -0.86 1.00 2.02 -0.26 -0.03 112.91 117.04 1cyl h THR 13 Ca 0.22 -1.30 0.19 0.00 0.77 0.00 0.00 66.41 66.30 1cyl h THR 13 Cb 0.00 2.27 -0.11 0.00 -1.74 0.00 0.00 68.15 68.57 1cyl h THR 13 CO -0.04 0.33 0.37 -0.07 0.37 0.00 0.00 175.52 176.48 1cyl h LEU 14 N -0.58 0.33 -0.53 2.58 4.07 -1.17 0.16 115.31 120.17 1cyl h LEU 14 Ca -0.00 0.14 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 1cyl h LEU 14 Cb 0.56 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1cyl h LEU 14 CO 0.00 0.05 -0.71 -1.13 -1.08 0.00 0.00 178.44 175.58 1cyl h ASN 15 N 0.44 0.20 0.15 -0.43 -1.24 -1.22 -3.25 115.58 110.23 1cyl h ASN 15 Ca 0.51 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.38 1cyl h ASN 15 Cb 0.90 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1cyl h ASN 15 CO -0.48 0.84 -0.07 -1.28 -1.29 0.00 0.00 177.43 175.15 1cyl h SER 16 N 0.11 -0.17 0.63 1.15 0.87 0.11 -3.22 113.55 113.02 1cyl h SER 16 Ca -0.02 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.09 1cyl h SER 16 Cb 1.25 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 1cyl h SER 16 CO 0.10 0.30 -0.54 0.25 -0.53 0.00 0.00 176.83 176.42 1cyl h LEU 17 N -0.71 0.00 -1.54 2.23 6.46 -1.71 -3.11 115.31 116.93 1cyl h LEU 17 Ca -0.02 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1cyl h LEU 17 Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1cyl h LEU 17 CO 0.03 0.54 0.33 0.71 -0.62 0.00 0.00 178.44 179.43 1cyl h THR 18 N 0.00 1.09 -0.95 1.05 1.35 -1.63 -0.94 112.91 112.88 1cyl h THR 18 Ca -0.01 -0.21 0.28 0.00 -0.55 0.00 0.00 66.41 65.92 1cyl h THR 18 Cb 1.00 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.80 1cyl h THR 18 CO 0.07 0.11 0.72 -0.33 -0.25 0.00 0.00 175.52 175.84 1cyl h GLU 19 N 0.61 0.00 -2.29 4.72 3.07 -1.55 -3.37 114.58 115.77 1cyl h GLU 19 Ca 0.19 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1cyl h GLU 19 Cb 0.02 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 27.70 1cyl h GLU 19 CO -0.05 0.00 -0.21 1.14 -1.40 0.00 0.00 179.01 178.49 1cyl s GLN 20 N -4.91 0.48 -0.41 2.33 -2.07 -0.36 -5.07 119.66 109.65 1cyl s GLN 20 Ca -0.05 1.15 0.09 0.00 -1.82 0.00 0.00 55.36 54.73 1cyl s GLN 20 Cb 0.21 0.39 0.37 0.00 -1.09 0.00 0.00 33.01 32.90 1cyl s GLN 20 CO 0.75 -0.20 1.23 0.36 -1.32 0.00 0.00 175.29 176.11 1cyl n LYS 21 N 5.00 1.13 -1.14 9.60 0.00 -1.24 -4.77 118.16 126.74 1cyl n LYS 21 Ca -0.14 -2.02 -0.07 0.00 -0.00 0.00 0.00 58.31 56.07 1cyl n LYS 21 Cb 0.52 -0.50 -0.03 0.00 -0.00 0.00 0.00 35.03 35.02 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 -0.22 0.00 -1.94 0.58 -1.04 -1.26 -2.72 114.28 107.67 1cyl n THR 22 Ca 0.02 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1cyl n THR 22 Cb 0.79 -1.23 -0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1cyl n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cyl n LEU 23 N -0.86 -0.00 -1.70 -4.42 -0.00 -1.26 -4.69 117.00 104.07 1cyl n LEU 23 Ca -0.07 0.31 -0.05 0.00 -0.00 0.00 0.00 56.01 56.20 1cyl n LEU 23 Cb 0.51 -0.82 0.27 0.00 -0.00 0.00 0.00 43.42 43.38 1cyl n LEU 23 CO 0.11 -0.00 0.95 0.00 -0.00 0.00 0.00 177.39 178.45 1cyl n THR 25 N -0.50 3.76 -2.68 0.00 -1.04 -1.26 -4.40 114.28 108.16 1cyl n THR 25 Ca 0.39 -3.68 -0.06 0.00 -2.04 0.00 0.00 64.05 58.66 1cyl n THR 25 Cb 1.28 -2.46 0.07 0.00 -1.82 0.00 0.00 70.33 67.40 1cyl n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cyl n GLU 26 N 7.40 0.68 -4.44 -2.82 1.02 -1.26 -2.74 120.64 118.48 1cyl n GLU 26 Ca 0.50 -1.30 -0.34 0.00 -0.02 0.00 0.00 57.16 56.00 1cyl n GLU 26 Cb 0.43 -0.19 -0.10 0.00 -0.02 0.00 0.00 31.44 31.56 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1cyl s LEU 27 N -2.45 3.40 -0.03 -4.62 1.43 -1.26 -4.60 118.68 110.55 1cyl s LEU 27 Ca 0.15 0.04 -0.34 0.00 -1.03 0.00 0.00 54.13 52.95 1cyl s LEU 27 Cb 0.25 -1.82 -0.13 0.00 0.03 0.00 0.00 46.19 44.53 1cyl s LEU 27 CO -0.07 0.35 1.79 0.35 0.23 0.00 0.00 176.35 178.99 1cyl n THR 28 N 1.98 0.41 -4.18 5.49 -2.24 -1.26 0.20 114.28 114.68 1cyl n THR 28 Ca -0.17 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1cyl n THR 28 Cb 0.53 -1.74 -0.11 0.00 -2.10 0.00 0.00 70.33 66.91 1cyl n THR 28 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1cyl s VAL 29 N 3.16 1.00 0.03 2.28 -7.23 -0.54 -4.82 120.40 114.27 1cyl s VAL 29 Ca 0.89 -1.55 -0.38 0.00 -1.81 0.00 0.00 61.98 59.13 1cyl s VAL 29 Cb -0.71 -1.28 -0.18 0.00 0.56 0.00 0.00 36.38 34.77 1cyl s VAL 29 CO 0.49 -0.47 1.24 0.41 -0.31 0.00 0.00 175.10 176.47 1cyl n THR 30 N 0.75 0.01 -2.79 5.32 -1.04 -1.26 -2.45 114.28 112.82 1cyl n THR 30 Ca -0.17 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1cyl n THR 30 Cb 0.57 -0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.43 6.72 -0.16 8.00 -1.08 -1.24 -4.71 116.67 124.63 1cyl s ASP 31 Ca 0.88 -2.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 1cyl s ASP 31 Cb -1.10 -2.47 0.16 0.00 -1.46 0.00 0.00 42.92 38.05 1cyl s ASP 31 CO 0.52 -1.12 1.64 2.30 0.52 0.00 0.00 175.17 179.04 1cyl n ILE 32 N 5.77 2.05 -2.51 4.11 -6.64 -1.26 -4.02 119.36 116.87 1cyl n ILE 32 Ca 0.32 -0.88 -0.00 0.00 -1.77 0.00 0.00 62.75 60.43 1cyl n ILE 32 Cb 0.48 -1.13 0.05 0.00 -1.44 0.00 0.00 39.64 37.60 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1cyl n PHE 33 N 0.42 0.81 -2.70 4.28 3.72 -1.26 -4.82 117.46 117.91 1cyl n PHE 33 Ca 0.18 -1.45 -0.06 0.00 -0.05 0.00 0.00 57.45 56.06 1cyl n PHE 33 Cb 0.69 -0.21 0.08 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.23 -2.35 -3.06 4.37 0.00 -1.26 -5.04 120.51 112.93 1cyl n ALA 34 Ca 0.11 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.56 1cyl n ALA 34 Cb 0.94 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1cyl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyl n ALA 35 N 1.03 1.23 -4.24 0.00 0.00 -1.26 -4.92 120.51 112.35 1cyl n ALA 35 Ca 0.02 -2.86 -0.32 0.00 0.00 0.00 0.00 53.44 50.28 1cyl n ALA 35 Cb 0.70 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 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 0.38 0.10 0.00 0.00 2.88 -1.26 -4.83 113.62 110.89 1cyl n SER 36 Ca 0.20 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1cyl n SER 36 Cb 0.66 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 -4.19 0.00 -3.67 -1.46 3.00 -1.26 -4.99 118.16 105.59 1cyl n LYS 37 Ca -0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 57.92 1cyl n LYS 37 Cb 0.58 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.65 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1cyl n ASN 38 N 0.00 -1.57 -1.33 3.14 5.15 -1.26 -4.99 115.26 114.40 1cyl n ASN 38 Ca 0.00 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 1cyl n ASN 38 Cb 0.00 -4.23 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 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 -4.28 0.00 -1.36 -0.44 5.66 -1.26 -5.04 114.28 107.55 1cyl n THR 39 Ca -0.28 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.28 1cyl n THR 39 Cb 0.67 -0.54 -0.02 0.00 -1.55 0.00 0.00 70.33 68.89 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 -0.36 1.36 -0.28 1.09 -1.04 -1.26 -4.73 114.28 109.06 1cyl n THR 40 Ca 0.00 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.49 1cyl n THR 40 Cb 0.00 -0.04 0.10 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.70 0.93 -1.03 -2.82 4.39 -2.00 -0.17 114.58 114.58 1cyl h GLU 41 Ca -0.33 -0.06 0.28 0.00 0.34 0.00 0.00 59.36 59.60 1cyl h GLU 41 Cb 1.44 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 1cyl h GLU 41 CO 0.52 0.62 0.71 1.57 -1.16 0.00 0.00 179.01 181.27 1cyl h LYS 42 N 0.96 0.17 -0.30 2.33 5.09 -1.97 0.44 116.57 123.28 1cyl h LYS 42 Ca 0.32 -0.01 -0.14 0.00 0.09 0.00 0.00 60.65 60.91 1cyl h LYS 42 Cb 0.03 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.32 1cyl h LYS 42 CO -0.12 0.11 -0.36 1.49 -2.09 0.00 0.00 179.45 178.48 1cyl h GLU 43 N 0.17 0.78 0.00 0.07 4.22 -1.33 -2.45 114.58 116.05 1cyl h GLU 43 Ca 0.53 -0.43 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 1cyl h GLU 43 Cb 1.75 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 1cyl h GLU 43 CO -0.12 1.06 -0.03 0.00 -2.18 0.00 0.00 179.01 177.74 1cyl h THR 44 N 0.54 0.94 0.00 0.32 1.03 -0.05 0.47 112.91 116.16 1cyl h THR 44 Ca 0.04 -0.11 -0.11 0.00 -0.01 0.00 0.00 66.41 66.22 1cyl h THR 44 Cb 0.95 1.06 -0.02 0.00 -1.07 0.00 0.00 68.15 69.07 1cyl h THR 44 CO 0.09 0.03 -0.51 -0.26 -0.01 0.00 0.00 175.52 174.86 1cyl h PHE 45 N 0.00 0.00 0.13 0.00 -1.00 -0.82 -0.39 116.94 114.86 1cyl h PHE 45 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1cyl h PHE 45 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1cyl h PHE 45 CO 0.00 0.51 -0.06 0.00 -1.61 0.00 0.00 178.31 177.14 1cyl h ARG 47 N -0.53 0.31 -0.19 0.00 2.43 -1.54 -3.10 114.38 111.76 1cyl h ARG 47 Ca -0.02 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.79 1cyl h ARG 47 Cb 0.42 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1cyl h ARG 47 CO 0.03 0.83 -0.49 0.00 -1.51 0.00 0.00 179.97 178.83 1cyl h ALA 48 N 1.12 0.81 0.00 2.80 0.00 -1.04 -2.90 119.26 120.04 1cyl h ALA 48 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1cyl h ALA 48 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1cyl h ALA 48 CO 0.10 0.67 -0.50 0.00 0.00 0.00 0.00 179.25 179.52 1cyl h ALA 49 N 1.08 1.16 -0.29 0.00 0.00 -1.17 -2.00 119.26 118.05 1cyl h ALA 49 Ca 0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1cyl h ALA 49 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1cyl h ALA 49 CO 0.09 0.62 -0.02 1.15 0.00 0.00 0.00 179.25 181.09 1cyl h THR 50 N 0.00 1.27 0.01 0.00 2.02 -1.44 -0.89 112.91 113.88 1cyl h THR 50 Ca -0.00 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1cyl h THR 50 Cb 0.89 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1cyl h THR 50 CO 0.06 0.32 -0.00 1.62 0.37 0.00 0.00 175.52 177.89 1cyl h VAL 51 N 0.30 1.42 -0.00 3.16 3.04 -1.43 -1.67 116.25 121.07 1cyl h VAL 51 Ca 0.08 -1.30 -0.01 0.00 -1.01 0.00 0.00 66.70 64.45 1cyl h VAL 51 Cb 0.47 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1cyl h VAL 51 CO 0.02 0.34 -0.07 0.17 -1.01 0.00 0.00 177.57 177.02 1cyl h LEU 52 N -0.57 0.00 -0.11 3.16 8.10 -1.42 0.45 115.31 124.93 1cyl h LEU 52 Ca -0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1cyl h LEU 52 Cb 0.56 -0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1cyl h LEU 52 CO 0.00 0.07 -0.04 -0.09 -4.11 0.00 0.00 178.44 174.27 1cyl h ARG 53 N 0.00 0.22 0.00 0.17 1.12 -1.05 -1.91 114.38 112.93 1cyl h ARG 53 Ca -0.00 -0.09 -0.10 0.00 -1.11 0.00 0.00 59.98 58.67 1cyl h ARG 53 Cb 0.12 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 1cyl h ARG 53 CO 0.01 0.55 -0.50 -0.56 -3.11 0.00 0.00 179.97 176.36 1cyl h GLN 54 N -0.13 0.00 0.08 0.20 3.07 -0.63 -1.85 115.11 115.86 1cyl h GLN 54 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 1cyl h GLN 54 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1cyl h GLN 54 CO 0.01 0.50 -0.04 0.35 0.09 0.00 0.00 178.83 179.74 1cyl h PHE 55 N 0.00 -0.11 -0.18 0.06 3.57 -0.85 -0.15 116.94 119.28 1cyl h PHE 55 Ca -0.00 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1cyl h PHE 55 Cb 0.90 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1cyl h PHE 55 CO 0.00 0.40 -0.56 0.10 -2.23 0.00 0.00 178.31 176.02 1cyl h TYR 56 N -0.68 0.92 -0.11 0.41 -0.00 -1.40 -1.47 116.97 114.63 1cyl h TYR 56 Ca -0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 58.73 58.29 1cyl h TYR 56 Cb 0.55 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 37.12 1cyl h TYR 56 CO 0.10 1.17 -0.19 0.77 -0.00 0.00 0.00 178.16 180.01 1cyl h SER 57 N 0.40 0.35 0.36 0.10 0.02 -1.44 -3.10 113.55 110.25 1cyl h SER 57 Ca -0.02 -0.54 -0.06 0.00 -0.84 0.00 0.00 61.79 60.33 1cyl h SER 57 Cb 1.18 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1cyl h SER 57 CO 0.12 0.83 -0.31 -0.74 -1.14 0.00 0.00 176.83 175.59 1cyl h HIS 58 N -0.11 0.00 0.22 3.45 -0.00 -1.10 -3.05 115.15 114.56 1cyl h HIS 58 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1cyl h HIS 58 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1cyl h HIS 58 CO 0.10 0.31 -0.10 0.45 -0.00 0.00 0.00 177.93 178.68 1cyl h HIS 59 N 0.00 -0.27 -2.55 5.26 -0.00 -1.23 -3.43 115.15 112.93 1cyl h HIS 59 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1cyl h HIS 59 Cb 0.57 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1cyl h HIS 59 CO 0.00 -0.03 0.00 0.39 -0.00 0.00 0.00 177.93 178.29 1cyl n GLU 60 N -5.13 -0.73 0.00 2.45 1.02 -1.15 -2.71 120.64 114.39 1cyl n GLU 60 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1cyl n GLU 60 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 1cyl n GLU 60 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1cyl n LYS 61 N -0.46 0.00 -3.61 3.49 2.85 -1.26 -5.05 118.16 114.12 1cyl n LYS 61 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1cyl n LYS 61 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1cyl n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1cyl n ASP 62 N 0.00 -2.57 -0.17 -5.58 2.03 -1.10 -4.70 116.55 104.46 1cyl n ASP 62 Ca 0.00 -0.82 0.27 0.00 0.52 0.00 0.00 54.79 54.76 1cyl n ASP 62 Cb 0.00 -4.21 0.45 0.00 -0.72 0.00 0.00 41.12 36.64 1cyl n ASP 62 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cyl h THR 63 N -1.77 0.03 -0.73 5.18 1.35 -1.94 -1.64 112.91 113.38 1cyl h THR 63 Ca -0.62 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 65.44 1cyl h THR 63 Cb 1.35 0.06 -0.14 0.00 -1.73 0.00 0.00 68.15 67.69 1cyl h THR 63 CO 0.53 0.00 -0.02 0.54 -0.25 0.00 0.00 175.52 176.32 1cyl n ARG 64 N -3.25 -0.06 -0.05 4.72 1.74 -1.26 0.23 116.66 118.73 1cyl n ARG 64 Ca 0.21 1.10 -0.15 0.00 -0.77 0.00 0.00 57.85 58.25 1cyl n ARG 64 Cb 1.44 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 31.07 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cyl n LEU 66 N -4.30 0.82 -3.72 0.00 4.32 0.62 -4.85 117.00 109.90 1cyl n LEU 66 Ca -0.07 0.60 -0.28 0.00 -0.02 0.00 0.00 56.01 56.24 1cyl n LEU 66 Cb 0.53 -0.93 -0.12 0.00 -1.62 0.00 0.00 43.42 41.28 1cyl n LEU 66 CO 0.45 -0.77 -0.17 -0.83 -1.22 0.00 0.00 177.39 174.85 1cyl s GLY 67 N 6.42 2.14 0.00 -0.72 0.00 -1.26 -4.89 107.32 109.01 1cyl s GLY 67 Ca 1.21 -3.14 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1cyl s GLY 67 CO 0.63 1.47 0.00 0.00 0.00 0.00 0.00 173.10 175.20 1cyl n ALA 68 N 2.65 0.00 0.00 3.20 0.00 -1.26 -4.73 120.51 120.37 1cyl n ALA 68 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1cyl n ALA 68 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1cyl n ALA 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1cyl n THR 69 N 0.00 0.00 -0.11 0.00 5.66 -1.26 -4.78 114.28 113.79 1cyl n THR 69 Ca 0.00 0.00 0.27 0.00 -3.05 0.00 0.00 64.05 61.27 1cyl n THR 69 Cb 0.00 0.00 0.65 0.00 -1.55 0.00 0.00 70.33 69.43 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cyl h ALA 70 N 0.00 2.65 -0.01 1.79 0.00 -2.01 1.01 119.26 122.70 1cyl h ALA 70 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cyl h ALA 70 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cyl h ALA 70 CO 0.00 -1.24 -0.01 1.96 0.00 0.00 0.00 179.25 179.96 1cyl h GLN 71 N 0.00 0.02 -0.70 0.00 1.08 -1.99 -2.76 115.11 110.76 1cyl h GLN 71 Ca 0.39 -0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.75 1cyl h GLN 71 Cb 2.02 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.41 1cyl h GLN 71 CO -0.00 0.53 0.49 -0.56 -0.95 0.00 0.00 178.83 178.33 1cyl h GLN 72 N -0.49 0.18 -0.54 1.46 3.07 0.74 0.86 115.11 120.40 1cyl h GLN 72 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1cyl h GLN 72 Cb 0.53 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 1cyl h GLN 72 CO 0.00 0.12 0.24 0.35 0.09 0.00 0.00 178.83 179.63 1cyl h PHE 73 N 0.19 0.80 -0.47 0.06 3.57 -1.02 -1.42 116.94 118.64 1cyl h PHE 73 Ca 0.34 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1cyl h PHE 73 Cb 1.07 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1cyl h PHE 73 CO -0.00 0.64 0.31 1.25 -2.23 0.00 0.00 178.31 178.28 1cyl h HIS 74 N 0.73 0.57 0.00 0.41 2.76 -0.65 0.77 115.15 119.74 1cyl h HIS 74 Ca 0.18 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.26 1cyl h HIS 74 Cb 0.16 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1cyl h HIS 74 CO 0.00 0.35 -0.50 0.00 -1.30 0.00 0.00 177.93 176.49 1cyl h ARG 75 N 0.61 0.00 -0.14 5.26 3.08 -1.08 -2.30 114.38 119.81 1cyl h ARG 75 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1cyl h ARG 75 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1cyl h ARG 75 CO -0.04 0.50 -0.03 1.25 -1.07 0.00 0.00 179.97 180.58 1cyl h HIS 76 N 0.00 0.30 -0.51 3.04 2.76 0.19 0.10 115.15 121.02 1cyl h HIS 76 Ca -0.00 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.01 1cyl h HIS 76 Cb 0.89 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 1cyl h HIS 76 CO 0.00 0.55 -0.06 0.87 -1.30 0.00 0.00 177.93 177.99 1cyl h LYS 77 N -0.03 0.91 0.00 5.26 1.57 -1.37 -1.84 116.57 121.08 1cyl h LYS 77 Ca 0.04 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1cyl h LYS 77 Cb 0.45 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1cyl h LYS 77 CO 0.01 0.94 -0.52 0.37 -0.57 0.00 0.00 179.45 179.69 1cyl h GLN 78 N 0.83 0.00 0.02 3.15 5.75 -1.33 -1.01 115.11 122.52 1cyl h GLN 78 Ca 0.14 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1cyl h GLN 78 Cb 0.58 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1cyl h GLN 78 CO 0.03 0.52 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.65 1cyl h LEU 79 N 0.00 -0.03 -1.77 -2.39 3.38 -0.61 -1.45 115.31 112.45 1cyl h LEU 79 Ca -0.01 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1cyl h LEU 79 Cb 0.92 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1cyl h LEU 79 CO 0.07 0.51 -0.15 0.40 0.09 0.00 0.00 178.44 179.36 1cyl h ILE 80 N -0.57 0.99 -0.48 1.22 1.08 -1.29 0.26 117.51 118.71 1cyl h ILE 80 Ca -0.00 -0.52 -0.07 0.00 -0.39 0.00 0.00 64.86 63.87 1cyl h ILE 80 Cb 0.54 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 1cyl h ILE 80 CO 0.01 0.14 0.03 -0.09 -0.69 0.00 0.00 178.15 177.55 1cyl h ARG 81 N 0.00 0.83 -0.06 2.37 2.43 -0.97 0.02 114.38 118.99 1cyl h ARG 81 Ca -0.00 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1cyl h ARG 81 Cb 0.28 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1cyl h ARG 81 CO 0.02 0.86 -0.11 0.35 -1.51 0.00 0.00 179.97 179.58 1cyl h PHE 82 N 0.69 0.24 0.07 2.20 3.57 -0.12 0.21 116.94 123.79 1cyl h PHE 82 Ca 0.14 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1cyl h PHE 82 Cb 0.47 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1cyl h PHE 82 CO 0.03 0.70 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.66 1cyl h LEU 83 N -0.29 -0.21 -1.66 0.59 3.38 -0.47 -0.94 115.31 115.71 1cyl h LEU 83 Ca 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1cyl h LEU 83 Cb 0.68 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1cyl h LEU 83 CO 0.03 -0.12 -0.17 0.50 0.09 0.00 0.00 178.44 178.76 1cyl h LYS 84 N -0.17 0.00 -0.32 1.13 3.11 -1.04 -0.54 116.57 118.73 1cyl h LYS 84 Ca 0.01 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1cyl h LYS 84 Cb 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1cyl h LYS 84 CO -0.03 0.17 0.19 -0.09 -2.81 0.00 0.00 179.45 176.88 1cyl h ARG 85 N 0.00 0.38 0.00 1.90 2.43 0.75 -1.62 114.38 118.22 1cyl h ARG 85 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1cyl h ARG 85 Cb 0.30 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1cyl h ARG 85 CO 0.02 0.25 -0.55 1.25 -1.51 0.00 0.00 179.97 179.44 1cyl h LEU 86 N 0.40 0.00 -0.01 3.80 5.85 -0.55 -2.27 115.31 122.53 1cyl h LEU 86 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1cyl h LEU 86 Cb -0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1cyl h LEU 86 CO -0.05 0.55 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.81 1cyl h ASP 87 N 0.00 0.03 -0.31 1.25 3.58 -0.23 -0.21 116.42 120.53 1cyl h ASP 87 Ca -0.01 -0.36 -0.16 0.00 0.42 0.00 0.00 57.03 56.92 1cyl h ASP 87 Cb 0.98 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 1cyl h ASP 87 CO 0.07 0.38 -0.44 0.03 -2.88 0.00 0.00 179.24 176.40 1cyl h ARG 88 N -0.33 0.87 -0.16 0.28 3.08 -1.40 -3.22 114.38 113.50 1cyl h ARG 88 Ca 0.00 -0.48 -0.16 0.00 0.07 0.00 0.00 59.98 59.41 1cyl h ARG 88 Cb 0.37 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1cyl h ARG 88 CO 0.00 1.13 -0.56 -0.97 -1.07 0.00 0.00 179.97 178.50 1cyl h ASN 89 N 0.70 0.54 -0.70 7.04 -1.24 -1.43 -3.20 115.58 117.29 1cyl h ASN 89 Ca 0.05 -0.29 0.08 0.00 0.71 0.00 0.00 56.30 56.84 1cyl h ASN 89 Cb 1.03 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.86 1cyl h ASN 89 CO 0.10 0.99 0.37 0.25 -1.29 0.00 0.00 177.43 177.86 1cyl h LEU 90 N 0.37 0.52 -1.39 0.34 6.46 -1.04 0.23 115.31 120.81 1cyl h LEU 90 Ca 0.00 0.04 0.25 0.00 -0.12 0.00 0.00 57.88 58.06 1cyl h LEU 90 Cb 1.10 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.89 1cyl h LEU 90 CO 0.10 0.32 0.66 -0.50 -0.62 0.00 0.00 178.44 178.40 1cyl h TRP 91 N 0.66 0.64 -0.10 1.25 -0.00 -1.62 0.28 115.95 117.06 1cyl h TRP 91 Ca 0.33 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 59.18 1cyl h TRP 91 Cb 0.28 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 29.25 1cyl h TRP 91 CO -0.09 0.09 -0.16 0.78 -0.00 0.00 0.00 178.44 179.05 1cyl h GLY 92 N 0.41 0.32 -0.01 1.49 0.00 -0.71 -0.40 103.07 104.16 1cyl h GLY 92 Ca 0.57 -0.36 0.21 0.00 0.00 0.00 0.00 47.33 47.75 1cyl h GLY 92 CO -0.27 0.32 0.55 -2.00 0.00 0.00 0.00 176.54 175.14 1cyl h LEU 93 N -0.15 0.64 0.00 3.11 7.12 0.52 -3.35 115.31 123.21 1cyl h LEU 93 Ca 0.01 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1cyl h LEU 93 Cb 0.73 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1cyl h LEU 93 CO 0.04 0.16 0.00 0.00 -0.13 0.00 0.00 178.44 178.51 1cyl n ALA 94 N -2.36 0.00 0.00 1.25 0.00 -0.60 -5.06 120.51 113.74 1cyl n ALA 94 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1cyl n ALA 94 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 2.74 0.61 3.54 0.00 0.00 -0.17 -5.07 105.19 106.85 1cyl n GLY 95 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1cyl n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cyl n LEU 96 N 0.00 1.58 -2.82 0.99 0.00 -1.26 -4.87 117.00 110.62 1cyl n LEU 96 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 56.01 56.28 1cyl n LEU 96 Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 43.42 42.14 1cyl n LEU 96 CO 0.00 -2.89 0.23 -3.20 0.00 0.00 0.00 177.39 171.53 1cyl n ASN 97 N -2.76 -1.69 -3.28 1.96 5.15 -1.26 -4.90 115.26 108.47 1cyl n ASN 97 Ca 0.09 -3.54 -0.07 0.00 -0.60 0.00 0.00 54.58 50.46 1cyl n ASN 97 Cb 0.53 1.40 -0.04 0.00 -0.53 0.00 0.00 39.78 41.14 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1cyl s SER 98 N -1.51 -0.23 -0.30 1.20 1.04 -1.26 -5.03 113.70 107.62 1cyl s SER 98 Ca 0.26 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.72 1cyl s SER 98 Cb 0.31 1.30 0.26 0.00 0.10 0.00 0.00 66.02 67.99 1cyl s SER 98 CO -0.06 -0.24 1.37 0.00 0.98 0.00 0.00 173.24 175.29 1cyl n PRO 100 N 0.30 1.84 -2.75 0.00 -0.04 -1.26 -4.56 135.00 128.52 1cyl n PRO 100 Ca -0.13 -1.83 -0.04 0.00 -0.04 0.00 0.00 63.50 61.46 1cyl n PRO 100 Cb 0.74 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1cyl n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cyl n VAL 101 N -0.23 0.00 -2.70 0.52 0.31 -1.26 -5.06 118.33 109.92 1cyl n VAL 101 Ca 0.36 -0.99 -0.05 0.00 -0.01 0.00 0.00 64.34 63.65 1cyl n VAL 101 Cb 0.93 1.02 0.05 0.00 -0.91 0.00 0.00 33.84 34.93 1cyl n VAL 101 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cyl n LYS 102 N 2.81 0.32 0.00 5.55 3.00 -1.26 -5.14 118.16 123.45 1cyl n LYS 102 Ca 0.17 -1.15 0.00 0.00 -0.00 0.00 0.00 58.31 57.33 1cyl n LYS 102 Cb 0.57 -0.59 0.00 0.00 0.00 0.00 0.00 35.03 35.01 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1cyl n GLU 103 N 2.06 0.00 0.00 1.64 0.00 -1.26 -4.96 120.64 118.13 1cyl n GLU 103 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1cyl n GLU 103 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 1cyl n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cyl n ALA 104 N 0.00 0.47 -1.34 4.31 0.00 -1.26 -5.01 120.51 117.67 1cyl n ALA 104 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1cyl n ALA 104 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.00 0.03 -3.88 0.00 3.02 -1.26 -5.00 115.26 108.18 1cyl n ASN 105 Ca 0.00 -1.06 -0.11 0.00 -0.03 0.00 0.00 54.58 53.38 1cyl n ASN 105 Cb 0.22 -0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cyl s GLN 106 N -3.12 0.19 0.18 3.52 1.03 -1.26 -3.69 119.66 116.51 1cyl s GLN 106 Ca 0.07 -0.11 -0.03 0.00 0.04 0.00 0.00 55.36 55.33 1cyl s GLN 106 Cb -0.00 0.08 0.01 0.00 0.03 0.00 0.00 33.01 33.13 1cyl s GLN 106 CO 0.05 -0.03 0.28 0.45 -2.54 0.00 0.00 175.29 173.49 1cyl n SER 107 N 2.51 -0.79 -4.69 12.60 2.88 -1.02 -4.64 113.62 120.47 1cyl n SER 107 Ca -0.16 -1.89 -0.31 0.00 -1.33 0.00 0.00 58.87 55.17 1cyl n SER 107 Cb 0.58 1.41 -0.08 0.00 -0.75 0.00 0.00 64.21 65.37 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 -2.61 4.09 0.21 2.46 -4.23 -1.26 -1.46 115.64 112.83 1cyl s THR 108 Ca 0.13 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.71 1cyl s THR 108 Cb -0.01 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 71.08 1cyl s THR 108 CO 0.09 0.22 1.82 0.25 -0.54 0.00 0.00 174.62 176.45 1cyl h LEU 109 N 3.78 0.59 -0.90 4.79 7.12 -0.50 -0.09 115.31 130.09 1cyl h LEU 109 Ca -0.48 0.03 0.20 0.00 0.13 0.00 0.00 57.88 57.75 1cyl h LEU 109 Cb 1.17 -0.09 -0.11 0.00 -0.53 0.00 0.00 40.66 41.09 1cyl h LEU 109 CO 0.59 0.38 0.44 -0.08 -0.13 0.00 0.00 178.44 179.65 1cyl h GLU 110 N 0.72 0.50 -0.00 1.25 4.81 -1.79 0.48 114.58 120.56 1cyl h GLU 110 Ca 0.30 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1cyl h GLU 110 Cb 0.16 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1cyl h GLU 110 CO -0.17 0.33 -0.54 -0.97 -0.73 0.00 0.00 179.01 176.93 1cyl h ASN 111 N 0.52 0.01 -0.28 1.04 -0.73 -1.36 -1.78 115.58 112.99 1cyl h ASN 111 Ca 0.54 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.56 1cyl h ASN 111 Cb 0.93 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 1cyl h ASN 111 CO -0.46 0.55 -0.33 0.15 -0.37 0.00 0.00 177.43 176.98 1cyl h PHE 112 N 0.00 0.95 -0.06 0.67 3.57 0.79 0.16 116.94 123.03 1cyl h PHE 112 Ca -0.01 -0.26 -0.14 0.00 3.53 0.00 0.00 57.97 61.10 1cyl h PHE 112 Cb 0.96 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1cyl h PHE 112 CO 0.00 1.02 -0.59 -0.07 -2.23 0.00 0.00 178.31 176.44 1cyl h LEU 113 N 0.68 0.23 -0.10 0.59 3.38 -1.02 0.22 115.31 119.29 1cyl h LEU 113 Ca 0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1cyl h LEU 113 Cb 0.87 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1cyl h LEU 113 CO 0.08 0.77 -0.17 -0.08 0.09 0.00 0.00 178.44 179.13 1cyl h GLU 114 N 0.15 0.29 0.03 1.13 4.57 -0.99 -1.35 114.58 118.41 1cyl h GLU 114 Ca -0.01 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1cyl h GLU 114 Cb 1.09 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1cyl h GLU 114 CO 0.09 0.76 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.57 1cyl h ARG 115 N -0.14 -0.04 -0.33 1.92 2.43 -0.67 -0.89 114.38 116.66 1cyl h ARG 115 Ca 0.01 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1cyl h ARG 115 Cb 0.74 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1cyl h ARG 115 CO 0.04 0.46 0.18 1.25 -1.51 0.00 0.00 179.97 180.38 1cyl h LEU 116 N -0.57 0.28 -0.70 3.80 5.85 -0.66 -1.66 115.31 121.66 1cyl h LEU 116 Ca -0.00 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1cyl h LEU 116 Cb 0.52 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1cyl h LEU 116 CO 0.01 0.20 -0.47 0.50 -0.34 0.00 0.00 178.44 178.34 1cyl h LYS 117 N 0.37 0.43 0.01 1.25 3.64 -1.29 -2.93 116.57 118.05 1cyl h LYS 117 Ca 0.14 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1cyl h LYS 117 Cb 0.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1cyl h LYS 117 CO -0.08 0.81 -0.00 1.79 -2.27 0.00 0.00 179.45 179.70 1cyl h THR 118 N 0.35 1.10 -0.14 1.00 1.35 -0.74 -2.77 112.91 113.05 1cyl h THR 118 Ca 0.02 -0.33 0.03 0.00 -0.55 0.00 0.00 66.41 65.58 1cyl h THR 118 Cb 0.96 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 1cyl h THR 118 CO 0.08 0.08 -0.04 0.40 -0.25 0.00 0.00 175.52 175.80 1cyl h ILE 119 N -0.15 0.86 -0.80 6.82 5.03 -1.32 -2.20 117.51 125.75 1cyl h ILE 119 Ca -0.00 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.91 1cyl h ILE 119 Cb 0.15 0.86 -0.11 0.00 -3.03 0.00 0.00 36.82 34.69 1cyl h ILE 119 CO 0.00 0.00 0.30 0.24 -0.68 0.00 0.00 178.15 178.01 1cyl h MET 120 N -0.00 0.38 -0.65 2.37 2.86 -1.43 0.52 114.93 118.98 1cyl h MET 120 Ca 0.07 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1cyl h MET 120 Cb 0.10 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1cyl h MET 120 CO -0.14 0.25 0.36 0.00 1.06 0.00 0.00 176.91 178.44 1cyl h ARG 121 N 0.39 0.89 -0.48 1.72 2.47 -1.12 -0.87 114.38 117.38 1cyl h ARG 121 Ca 0.47 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.99 1cyl h ARG 121 Cb 0.79 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 1cyl h ARG 121 CO -0.47 0.65 -0.14 0.93 0.56 0.00 0.00 179.97 181.50 1cyl h GLU 122 N 0.90 0.90 -0.22 0.04 5.08 0.41 -0.34 114.58 121.35 1cyl h GLU 122 Ca 0.23 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 1cyl h GLU 122 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1cyl h GLU 122 CO -0.04 0.98 -0.49 0.87 -1.00 0.00 0.00 179.01 179.34 1cyl h LYS 123 N 0.80 0.59 0.00 2.33 1.79 -0.42 -2.88 116.57 118.78 1cyl h LYS 123 Ca 0.12 -0.34 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 1cyl h LYS 123 Cb 0.67 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1cyl h LYS 123 CO 0.05 0.95 -0.49 1.88 -1.08 0.00 0.00 179.45 180.75 1cyl h TYR 124 N 0.47 0.00 0.00 -1.35 -1.99 -0.96 -2.75 116.97 110.39 1cyl h TYR 124 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1cyl h TYR 124 Cb 1.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.75 1cyl h TYR 124 CO 0.04 0.49 0.30 1.03 -0.00 0.00 0.00 178.16 180.03 1cyl h SER 125 N 0.00 0.00 -0.69 3.88 0.87 -0.83 0.23 113.55 117.01 1cyl h SER 125 Ca -0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1cyl h SER 125 Cb 0.89 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.64 1cyl h SER 125 CO 0.06 0.00 0.47 0.29 -0.53 0.00 0.00 176.83 177.12 1cyl n LYS 126 N -2.82 1.89 -0.06 2.24 5.02 -1.04 -4.42 118.16 118.98 1cyl n LYS 126 Ca -0.02 -2.10 -0.04 0.00 -2.02 0.00 0.00 58.31 54.14 1cyl n LYS 126 Cb 0.35 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 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 -5.73 -0.37 0.00 0.00 0.01 -1.26 -3.98 113.70 102.37 1cyl s SER 128 Ca -0.06 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1cyl s SER 128 Cb -0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1cyl s SER 128 CO 0.17 -0.81 0.44 -0.24 0.41 0.00 0.00 173.24 173.21