#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9s s ASP 2 N 0.00 6.51 0.43 6.12 2.15 -1.26 -4.99 116.67 125.64 2k9s s ASP 2 Ca 0.00 0.61 0.15 0.00 0.43 0.00 0.00 52.55 53.74 2k9s s ASP 2 Cb 0.00 -2.10 0.96 0.00 -0.30 0.00 0.00 42.92 41.48 2k9s s ASP 2 CO 0.00 0.11 1.95 -1.13 -0.17 0.00 0.00 175.17 175.93 2k9s h ASN 3 N 3.17 0.00 -0.01 -0.34 -1.24 -2.04 0.11 115.58 115.23 2k9s h ASN 3 Ca -0.47 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.54 2k9s h ASN 3 Cb 1.17 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 2k9s h ASN 3 CO 0.71 0.23 -0.01 0.03 -1.29 0.00 0.00 177.43 177.10 2k9s h ARG 4 N 0.00 0.02 -0.30 6.67 2.47 -2.00 -2.70 114.38 118.54 2k9s h ARG 4 Ca -0.00 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.56 2k9s h ARG 4 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2k9s h ARG 4 CO 0.03 0.56 -0.42 -0.39 0.56 0.00 0.00 179.97 180.31 2k9s h VAL 5 N -0.52 1.29 -0.80 2.04 -1.51 -1.91 -3.04 116.25 111.80 2k9s h VAL 5 Ca 0.00 -1.60 0.03 0.00 -1.23 0.00 0.00 66.70 63.90 2k9s h VAL 5 Cb 0.56 1.51 -0.04 0.00 -2.13 0.00 0.00 31.29 31.18 2k9s h VAL 5 CO 0.00 0.52 0.53 -0.09 -1.23 0.00 0.00 177.57 177.30 2k9s h ARG 6 N 0.59 0.98 -0.45 5.19 2.43 -0.84 -2.26 114.38 120.02 2k9s h ARG 6 Ca 0.04 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2k9s h ARG 6 Cb 0.96 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2k9s h ARG 6 CO 0.09 0.65 0.22 1.49 -1.51 0.00 0.00 179.97 180.91 2k9s h GLU 7 N 1.01 0.65 -0.63 0.20 4.57 -1.36 -2.52 114.58 116.49 2k9s h GLU 7 Ca 0.31 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.44 2k9s h GLU 7 Cb 0.00 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 2k9s h GLU 7 CO -0.09 0.55 0.42 0.00 -1.18 0.00 0.00 179.01 178.71 2k9s h ALA 8 N 1.07 1.69 -0.46 2.92 0.00 -1.39 -1.32 119.26 121.77 2k9s h ALA 8 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k9s h ALA 8 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k9s h ALA 8 CO -0.02 0.24 0.30 0.00 0.00 0.00 0.00 179.25 179.77 2k9s h GLN 10 N 0.58 0.89 -0.22 0.00 -0.00 -1.18 0.15 115.11 115.33 2k9s h GLN 10 Ca 0.17 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 2k9s h GLN 10 Cb -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 27.29 2k9s h GLN 10 CO -0.04 0.66 -0.18 -0.92 0.00 0.00 0.00 178.83 178.35 2k9s h TYR 11 N 0.88 0.61 -0.52 3.99 3.20 -1.40 -2.66 116.97 121.06 2k9s h TYR 11 Ca 0.23 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2k9s h TYR 11 Cb 0.02 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2k9s h TYR 11 CO -0.01 0.84 0.22 0.82 -1.64 0.00 0.00 178.16 178.39 2k9s h ILE 12 N 0.20 1.21 -0.84 1.81 2.04 -1.16 -2.10 117.51 118.67 2k9s h ILE 12 Ca 0.04 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.31 2k9s h ILE 12 Cb 0.72 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2k9s h ILE 12 CO 0.05 0.24 0.54 0.28 0.00 0.00 0.00 178.15 179.26 2k9s h SER 13 N 0.69 0.89 -0.23 1.72 0.02 -0.70 0.11 113.55 116.06 2k9s h SER 13 Ca 0.17 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2k9s h SER 13 Cb 0.17 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2k9s h SER 13 CO -0.02 0.61 -0.10 0.44 -1.14 0.00 0.00 176.83 176.63 2k9s h ASP 14 N 1.05 0.60 -0.51 3.07 5.19 -1.20 -2.30 116.42 122.30 2k9s h ASP 14 Ca 0.34 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2k9s h ASP 14 Cb 0.02 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.37 2k9s h ASP 14 CO -0.12 0.73 0.00 1.41 -3.12 0.00 0.00 179.24 178.14 2k9s n HIS 15 N -4.20 1.57 0.27 4.55 8.25 -0.69 -4.37 115.22 120.60 2k9s n HIS 15 Ca 0.01 -0.57 0.11 0.00 -0.26 0.00 0.00 57.72 57.01 2k9s n HIS 15 Cb 0.33 -0.36 0.74 0.00 1.12 0.00 0.00 29.99 31.82 2k9s n HIS 15 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k9s h LEU 16 N 3.43 0.00 0.00 2.41 5.85 -0.21 -1.02 115.31 125.77 2k9s h LEU 16 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2k9s h LEU 16 Cb 1.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 2k9s h LEU 16 CO 0.33 0.03 -0.95 0.00 -0.34 0.00 0.00 178.44 177.51 2k9s h ALA 17 N 1.97 0.58 -2.88 1.25 0.00 -1.81 -3.40 119.26 114.98 2k9s h ALA 17 Ca -0.00 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 2k9s h ALA 17 Cb 0.05 0.04 0.07 0.00 0.00 0.00 0.00 17.79 17.96 2k9s h ALA 17 CO 0.00 0.17 0.64 -0.51 0.00 0.00 0.00 179.25 179.55 2k9s s ASP 18 N -5.55 6.56 -0.14 0.00 1.11 -0.39 -4.58 116.67 113.67 2k9s s ASP 18 Ca 0.00 2.70 -0.25 0.00 0.18 0.00 0.00 52.55 55.18 2k9s s ASP 18 Cb 0.09 -2.65 -0.23 0.00 1.07 0.00 0.00 42.92 41.21 2k9s s ASP 18 CO 0.78 -0.69 0.64 -1.28 1.18 0.00 0.00 175.17 175.80 2k9s h SER 19 N 3.07 0.00 -3.26 0.27 0.87 -1.91 -3.43 113.55 109.16 2k9s h SER 19 Ca -0.49 -0.85 -0.55 0.00 -1.23 0.00 0.00 61.79 58.66 2k9s h SER 19 Cb 1.23 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.13 2k9s h SER 19 CO 0.64 0.99 1.01 0.20 -0.53 0.00 0.00 176.83 179.14 2k9s s ASN 20 N -6.21 6.41 -0.17 6.23 0.01 -1.26 -5.00 114.94 114.95 2k9s s ASN 20 Ca -0.18 0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 52.29 2k9s s ASN 20 Cb -0.02 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 2k9s s ASN 20 CO 0.61 -1.47 -0.08 0.12 -1.51 0.00 0.00 177.10 174.77 2k9s s PHE 21 N 5.15 2.90 -0.27 2.20 5.36 -1.26 -5.09 117.98 126.97 2k9s s PHE 21 Ca 0.49 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.69 2k9s s PHE 21 Cb -0.09 -1.98 0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2k9s s PHE 21 CO 0.28 -0.35 -0.05 0.34 -1.46 0.00 0.00 175.22 173.98 2k9s s ASP 22 N 0.87 4.55 0.59 6.13 2.15 -1.26 -4.97 116.67 124.72 2k9s s ASP 22 Ca -0.02 -1.13 0.29 0.00 0.43 0.00 0.00 52.55 52.11 2k9s s ASP 22 Cb -0.15 -1.66 1.60 0.00 -0.30 0.00 0.00 42.92 42.42 2k9s s ASP 22 CO 0.01 -0.19 2.04 -0.29 -0.17 0.00 0.00 175.17 176.56 2k9s h ILE 23 N 6.39 0.44 -0.77 4.11 2.10 -2.01 -0.85 117.51 126.93 2k9s h ILE 23 Ca -0.26 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.69 2k9s h ILE 23 Cb 1.08 0.77 -0.04 0.00 -1.09 0.00 0.00 36.82 37.54 2k9s h ILE 23 CO 0.54 0.00 0.50 0.00 -1.08 0.00 0.00 178.15 178.11 2k9s h ALA 24 N 1.68 0.97 0.00 0.18 0.00 -2.00 -1.74 119.26 118.35 2k9s h ALA 24 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k9s h ALA 24 Cb 0.69 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k9s h ALA 24 CO -0.00 0.40 -0.14 0.77 0.00 0.00 0.00 179.25 180.28 2k9s h SER 25 N 1.04 0.00 0.04 0.00 0.02 -1.58 -0.67 113.55 112.41 2k9s h SER 25 Ca 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2k9s h SER 25 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k9s h SER 25 CO -0.06 0.14 -0.02 0.58 -1.14 0.00 0.00 176.83 176.33 2k9s h VAL 26 N 0.00 1.21 -0.46 2.27 2.07 -1.36 -1.07 116.25 118.91 2k9s h VAL 26 Ca -0.00 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 2k9s h VAL 26 Cb 0.26 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2k9s h VAL 26 CO 0.02 0.21 -0.09 0.00 0.02 0.00 0.00 177.57 177.72 2k9s h ALA 27 N 0.51 0.63 -0.61 1.67 0.00 -1.25 -2.99 119.26 117.23 2k9s h ALA 27 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2k9s h ALA 27 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k9s h ALA 27 CO 0.01 0.51 0.25 0.37 0.00 0.00 0.00 179.25 180.39 2k9s h GLN 28 N 0.71 0.88 -0.60 0.00 4.15 -1.11 0.63 115.11 119.78 2k9s h GLN 28 Ca 0.12 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.46 2k9s h GLN 28 Cb 0.63 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2k9s h GLN 28 CO 0.04 0.72 0.39 1.25 -1.93 0.00 0.00 178.83 179.30 2k9s h HIS 29 N 0.87 0.60 -0.54 3.99 2.76 -1.04 0.33 115.15 122.12 2k9s h HIS 29 Ca 0.21 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2k9s h HIS 29 Cb 0.16 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.92 2k9s h HIS 29 CO 0.01 0.33 0.00 1.33 -1.30 0.00 0.00 177.93 178.30 2k9s n VAL 30 N -4.47 1.94 -3.50 5.26 0.24 -0.84 -4.91 118.33 112.05 2k9s n VAL 30 Ca 0.08 -1.11 -0.26 0.00 -2.04 0.00 0.00 64.34 61.02 2k9s n VAL 30 Cb 0.21 -0.09 0.01 0.00 -1.47 0.00 0.00 33.84 32.50 2k9s n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9s s LEU 32 N -6.75 2.04 0.64 0.00 0.20 0.16 -5.00 118.68 109.97 2k9s s LEU 32 Ca 0.47 -1.16 -0.13 0.00 0.69 0.00 0.00 54.13 54.00 2k9s s LEU 32 Cb -0.24 0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.62 2k9s s LEU 32 CO 0.58 -0.63 1.05 -0.44 -0.29 0.00 0.00 176.35 176.62 2k9s s SER 33 N -3.09 5.66 0.15 3.68 0.01 -1.26 -3.29 113.70 115.56 2k9s s SER 33 Ca 0.21 1.67 -0.10 0.00 1.31 0.00 0.00 55.95 59.05 2k9s s SER 33 Cb 0.07 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 2k9s s SER 33 CO 0.01 -1.25 1.49 1.55 0.41 0.00 0.00 173.24 175.44 2k9s h PRO 34 N -0.17 0.91 -0.16 12.44 0.13 -1.90 -0.79 132.00 142.45 2k9s h PRO 34 Ca -0.45 -0.48 -0.04 0.00 -0.87 0.00 0.00 66.00 64.16 2k9s h PRO 34 Cb 1.21 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k9s h PRO 34 CO 0.58 1.13 -0.05 0.77 -0.23 0.00 0.00 178.00 180.20 2k9s h SER 35 N 0.74 0.32 -0.47 1.44 0.02 -1.98 0.24 113.55 113.86 2k9s h SER 35 Ca 0.06 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 2k9s h SER 35 Cb 0.97 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2k9s h SER 35 CO 0.09 0.63 -0.07 -0.09 -1.14 0.00 0.00 176.83 176.25 2k9s h ARG 36 N 0.01 0.88 -0.24 3.45 1.12 -1.96 -1.85 114.38 115.79 2k9s h ARG 36 Ca 0.04 -0.32 -0.08 0.00 -1.11 0.00 0.00 59.98 58.51 2k9s h ARG 36 Cb 0.49 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 2k9s h ARG 36 CO 0.02 0.96 -0.17 1.25 -3.11 0.00 0.00 179.97 178.92 2k9s h LEU 37 N 0.73 0.57 -1.10 3.80 5.85 -1.13 -2.94 115.31 121.09 2k9s h LEU 37 Ca 0.12 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2k9s h LEU 37 Cb 0.61 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2k9s h LEU 37 CO 0.04 0.88 0.61 0.77 -0.34 0.00 0.00 178.44 180.40 2k9s h SER 38 N 0.25 1.06 -0.10 1.25 4.64 -0.49 0.26 113.55 120.41 2k9s h SER 38 Ca 0.05 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2k9s h SER 38 Cb 0.70 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2k9s h SER 38 CO 0.05 0.77 0.05 -0.74 -0.87 0.00 0.00 176.83 176.08 2k9s h HIS 39 N 1.25 0.09 -0.05 4.77 -0.00 -1.27 -1.86 115.15 118.08 2k9s h HIS 39 Ca 0.34 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.57 2k9s h HIS 39 Cb -0.14 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 2k9s h HIS 39 CO -0.00 0.05 -0.62 -0.07 -0.00 0.00 0.00 177.93 177.29 2k9s h LEU 40 N 0.10 0.19 -0.08 0.26 3.38 -1.29 -2.88 115.31 114.99 2k9s h LEU 40 Ca 0.04 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2k9s h LEU 40 Cb 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k9s h LEU 40 CO -0.03 0.76 -0.01 0.15 0.09 0.00 0.00 178.44 179.39 2k9s h PHE 41 N 0.12 -0.03 0.00 1.13 3.04 -0.14 0.36 116.94 121.43 2k9s h PHE 41 Ca -0.01 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 2k9s h PHE 41 Cb 1.12 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 2k9s h PHE 41 CO 0.02 -0.03 -0.24 -0.09 -2.02 0.00 0.00 178.31 175.95 2k9s h ARG 42 N 0.01 0.00 0.13 1.11 2.43 -1.36 0.45 114.38 117.15 2k9s h ARG 42 Ca 0.04 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.92 2k9s h ARG 42 Cb 0.05 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2k9s h ARG 42 CO -0.08 0.24 -1.21 1.96 -1.51 0.00 0.00 179.97 179.37 2k9s h GLN 43 N 0.00 0.59 0.23 0.20 1.08 -1.12 0.50 115.11 116.59 2k9s h GLN 43 Ca -0.00 -0.81 -0.34 0.00 -1.45 0.00 0.00 58.65 56.05 2k9s h GLN 43 Cb 0.60 0.27 0.03 0.00 -0.05 0.00 0.00 27.48 28.33 2k9s h GLN 43 CO 0.03 1.37 -1.53 1.96 -0.95 0.00 0.00 178.83 179.71 2k9s h GLN 44 N 0.21 0.48 0.00 1.46 1.08 -0.14 -3.32 115.11 114.89 2k9s h GLN 44 Ca -0.19 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.19 2k9s h GLN 44 Cb 1.90 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 29.64 2k9s h GLN 44 CO 0.23 1.39 -0.72 1.25 -0.95 0.00 0.00 178.83 180.04 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 6.46 -0.24 -3.42 115.31 119.70 2k9s h LEU 45 Ca -0.27 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2k9s h LEU 45 Cb 2.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2k9s h LEU 45 CO 0.25 0.07 0.00 0.61 -0.62 0.00 0.00 178.44 178.74 2k9s n GLY 46 N 1.27 0.20 3.50 3.75 0.00 0.18 -4.93 105.19 109.17 2k9s n GLY 46 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2k9s n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k9s s ILE 47 N -1.44 0.00 0.45 -0.61 -4.36 -1.14 -4.96 121.20 109.14 2k9s s ILE 47 Ca 0.00 -1.54 -0.21 0.00 -0.26 0.00 0.00 60.65 58.63 2k9s s ILE 47 Cb 0.00 -2.36 -0.10 0.00 1.25 0.00 0.00 42.46 41.26 2k9s s ILE 47 CO 0.00 0.00 1.00 -0.94 0.24 0.00 0.00 174.94 175.24 2k9s s SER 48 N -3.09 6.67 0.21 4.36 1.04 -1.26 -3.84 113.70 117.79 2k9s s SER 48 Ca 0.27 1.84 -0.09 0.00 0.48 0.00 0.00 55.95 58.46 2k9s s SER 48 Cb 0.01 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.87 2k9s s SER 48 CO 0.12 -0.55 1.75 0.58 0.98 0.00 0.00 173.24 176.12 2k9s h VAL 49 N 1.82 0.80 -0.26 5.02 2.07 -1.93 0.21 116.25 123.97 2k9s h VAL 49 Ca -0.49 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2k9s h VAL 49 Cb 1.20 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2k9s h VAL 49 CO 0.60 0.09 0.13 -0.07 0.02 0.00 0.00 177.57 178.34 2k9s h LEU 50 N 0.47 0.31 -0.08 2.57 4.07 -2.00 -1.60 115.31 119.05 2k9s h LEU 50 Ca 0.32 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.17 2k9s h LEU 50 Cb 0.37 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2k9s h LEU 50 CO -0.29 0.26 -0.30 -1.28 -1.08 0.00 0.00 178.44 175.75 2k9s h SER 51 N 0.36 0.40 -0.55 -0.43 0.87 -1.40 -2.78 113.55 110.02 2k9s h SER 51 Ca 0.09 -0.63 0.02 0.00 -1.23 0.00 0.00 61.79 60.04 2k9s h SER 51 Cb 0.03 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2k9s h SER 51 CO -0.01 0.96 0.35 -0.25 -0.53 0.00 0.00 176.83 177.34 2k9s h TRP 52 N -0.13 0.65 -0.32 2.24 7.01 -0.76 0.14 115.95 124.79 2k9s h TRP 52 Ca -0.02 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2k9s h TRP 52 Cb 0.94 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 2k9s h TRP 52 CO 0.12 0.38 0.19 -0.09 -2.79 0.00 0.00 178.44 176.26 2k9s h ARG 53 N 0.69 0.38 -0.55 2.65 2.43 -1.36 -1.37 114.38 117.25 2k9s h ARG 53 Ca 0.22 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2k9s h ARG 53 Cb -0.01 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2k9s h ARG 53 CO -0.08 0.25 0.02 1.49 -1.51 0.00 0.00 179.97 180.14 2k9s h GLU 54 N 0.39 0.96 -0.50 0.20 4.81 -1.18 -1.06 114.58 118.20 2k9s h GLU 54 Ca 0.12 -0.29 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2k9s h GLU 54 Cb -0.01 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2k9s h GLU 54 CO -0.05 0.96 0.27 0.22 -0.73 0.00 0.00 179.01 179.67 2k9s h ASP 55 N 0.84 0.39 -0.09 1.04 3.58 -0.40 -1.55 116.42 120.23 2k9s h ASP 55 Ca 0.16 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.48 2k9s h ASP 55 Cb 0.51 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2k9s h ASP 55 CO 0.02 0.27 -0.45 1.56 -2.88 0.00 0.00 179.24 177.76 2k9s h GLN 56 N 0.52 0.64 -0.40 0.28 1.08 -1.13 -2.36 115.11 113.73 2k9s h GLN 56 Ca 0.22 -0.35 0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2k9s h GLN 56 Cb 0.11 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 2k9s h GLN 56 CO -0.14 0.96 0.20 0.00 -0.95 0.00 0.00 178.83 178.90 2k9s h ARG 57 N 0.51 0.40 -0.40 1.46 3.08 -0.62 0.77 114.38 119.59 2k9s h ARG 57 Ca 0.03 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 2k9s h ARG 57 Cb 0.99 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2k9s h ARG 57 CO 0.09 0.26 -0.28 0.82 -1.07 0.00 0.00 179.97 179.80 2k9s h ILE 58 N 0.41 1.27 -0.39 2.04 1.08 -1.27 -2.49 117.51 118.17 2k9s h ILE 58 Ca 0.17 -1.42 -0.07 0.00 -0.39 0.00 0.00 64.86 63.14 2k9s h ILE 58 Cb 0.07 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2k9s h ILE 58 CO -0.11 0.48 -0.05 0.77 -0.69 0.00 0.00 178.15 178.54 2k9s h SER 59 N 0.72 0.61 -0.37 1.72 4.64 -0.97 -2.08 113.55 117.82 2k9s h SER 59 Ca 0.09 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.10 2k9s h SER 59 Cb 0.82 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2k9s h SER 59 CO 0.07 0.72 -0.36 -0.61 -0.87 0.00 0.00 176.83 175.78 2k9s h GLN 60 N 0.60 0.92 -0.28 4.77 5.75 -0.71 0.10 115.11 126.26 2k9s h GLN 60 Ca 0.12 -0.47 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 2k9s h GLN 60 Cb 0.45 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2k9s h GLN 60 CO 0.02 1.12 0.07 0.00 -2.65 0.00 0.00 178.83 177.40 2k9s h ALA 61 N 0.82 0.37 -0.10 3.38 0.00 -1.19 -0.12 119.26 122.42 2k9s h ALA 61 Ca 0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2k9s h ALA 61 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k9s h ALA 61 CO 0.09 0.02 -0.56 1.57 0.00 0.00 0.00 179.25 180.37 2k9s h LYS 62 N 0.29 0.29 0.00 0.00 2.10 -1.38 -0.19 116.57 117.69 2k9s h LYS 62 Ca 0.09 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2k9s h LYS 62 Cb 0.27 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2k9s h LYS 62 CO -0.00 0.78 -0.00 1.25 -2.00 0.00 0.00 179.45 179.47 2k9s h LEU 63 N 0.22 -0.00 -0.55 7.07 6.46 -0.80 -2.85 115.31 124.85 2k9s h LEU 63 Ca 0.00 -0.39 -0.15 0.00 -0.12 0.00 0.00 57.88 57.22 2k9s h LEU 63 Cb 1.06 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 2k9s h LEU 63 CO 0.09 0.39 -0.40 0.17 -0.62 0.00 0.00 178.44 178.08 2k9s h LEU 64 N -0.40 0.77 -2.06 2.25 8.10 -1.04 -2.87 115.31 120.06 2k9s h LEU 64 Ca -0.00 -0.35 0.07 0.00 0.11 0.00 0.00 57.88 57.71 2k9s h LEU 64 Cb 0.40 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 2k9s h LEU 64 CO 0.00 1.08 0.20 -0.07 -4.11 0.00 0.00 178.44 175.54 2k9s h LEU 65 N 0.59 0.00 -0.86 0.17 3.38 -1.03 0.35 115.31 117.91 2k9s h LEU 65 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2k9s h LEU 65 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2k9s h LEU 65 CO 0.09 0.00 -0.31 0.28 0.09 0.00 0.00 178.44 178.59 2k9s h SER 66 N 0.00 0.00 -0.18 -0.43 0.02 -1.27 -3.02 113.55 108.68 2k9s h SER 66 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k9s h SER 66 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2k9s h SER 66 CO -0.00 0.31 0.00 1.07 -1.14 0.00 0.00 176.83 177.07 2k9s n THR 67 N -3.40 0.43 -4.24 -2.27 5.66 0.47 -5.00 114.28 105.92 2k9s n THR 67 Ca 0.00 -0.71 -0.14 0.00 -3.05 0.00 0.00 64.05 60.15 2k9s n THR 67 Cb 0.50 0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 70.12 2k9s n THR 67 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k9s s THR 68 N -1.04 0.92 -0.09 1.09 -4.23 0.93 -5.05 115.64 108.17 2k9s s THR 68 Ca 0.20 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 58.84 2k9s s THR 68 Cb 0.12 -1.96 0.21 0.00 1.34 0.00 0.00 72.50 72.21 2k9s s THR 68 CO 0.17 -0.64 1.10 -1.14 -0.54 0.00 0.00 174.62 173.57 2k9s n ARG 69 N -0.21 1.39 -1.83 3.99 3.00 -1.26 -4.69 116.66 117.05 2k9s n ARG 69 Ca -0.09 -2.21 -0.34 0.00 -0.00 0.00 0.00 57.85 55.21 2k9s n ARG 69 Cb 0.62 -1.30 0.04 0.00 0.00 0.00 0.00 32.46 31.82 2k9s n ARG 69 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2k9s s MET 70 N -2.24 2.83 0.93 -0.14 -1.94 -1.26 -5.02 119.30 112.45 2k9s s MET 70 Ca 0.23 1.52 -0.12 0.00 -1.71 0.00 0.00 55.69 55.61 2k9s s MET 70 Cb 0.20 -1.94 0.15 0.00 2.01 0.00 0.00 34.83 35.25 2k9s s MET 70 CO 0.02 -1.25 1.09 -1.25 -0.01 0.00 0.00 175.02 173.62 2k9s s PRO 71 N -3.85 0.99 0.50 2.03 0.04 -1.26 -4.75 135.00 128.70 2k9s s PRO 71 Ca 0.70 0.73 0.16 0.00 0.04 0.00 0.00 61.00 62.63 2k9s s PRO 71 Cb -0.23 -1.79 1.21 0.00 0.04 0.00 0.00 34.50 33.74 2k9s s PRO 71 CO 0.38 -2.40 2.09 0.82 0.04 0.00 0.00 177.00 177.94 2k9s h ILE 72 N -1.66 0.95 -0.19 0.56 1.08 -1.95 -1.23 117.51 115.08 2k9s h ILE 72 Ca -0.51 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2k9s h ILE 72 Cb 1.30 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 2k9s h ILE 72 CO 0.55 0.02 0.02 0.00 -0.69 0.00 0.00 178.15 178.06 2k9s h ALA 73 N 1.88 0.25 -0.09 1.87 0.00 -1.91 -1.36 119.26 119.91 2k9s h ALA 73 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k9s h ALA 73 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k9s h ALA 73 CO -0.01 -0.07 -0.02 1.15 0.00 0.00 0.00 179.25 180.30 2k9s h THR 74 N 0.10 1.28 -0.95 0.00 2.02 -1.75 -3.08 112.91 110.54 2k9s h THR 74 Ca 0.06 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.41 2k9s h THR 74 Cb 0.33 1.72 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 2k9s h THR 74 CO 0.01 0.25 0.59 0.58 0.37 0.00 0.00 175.52 177.32 2k9s h VAL 75 N -0.16 1.01 -0.76 3.16 2.07 -1.27 -2.01 116.25 118.30 2k9s h VAL 75 Ca 0.02 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.25 2k9s h VAL 75 Cb 0.41 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 2k9s h VAL 75 CO 0.01 0.19 0.45 1.23 0.02 0.00 0.00 177.57 179.46 2k9s h GLY 76 N 1.03 1.14 1.16 2.17 0.00 -1.17 -1.30 103.07 106.10 2k9s h GLY 76 Ca 0.43 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.52 2k9s h GLY 76 CO -0.21 0.19 0.38 3.21 0.00 0.00 0.00 176.54 180.11 2k9s h ARG 77 N 0.80 0.46 -0.15 4.80 3.08 -0.96 0.48 114.38 122.89 2k9s h ARG 77 Ca 0.34 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2k9s h ARG 77 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2k9s h ARG 77 CO -0.19 0.30 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.02 2k9s h ASN 78 N 0.47 0.22 -0.56 7.04 2.35 -1.17 -1.68 115.58 122.25 2k9s h ASN 78 Ca 0.25 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2k9s h ASN 78 Cb 0.39 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2k9s h ASN 78 CO -0.07 0.34 0.00 1.33 -1.65 0.00 0.00 177.43 177.38 2k9s n VAL 79 N -4.32 2.34 -0.92 2.81 0.24 -0.12 -4.75 118.33 113.62 2k9s n VAL 79 Ca -0.01 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 2k9s n VAL 79 Cb 0.23 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2k9s n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k9s n GLY 80 N 0.74 0.47 3.63 7.63 0.00 -0.63 -4.88 105.19 112.15 2k9s n GLY 80 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2k9s n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k9s s PHE 81 N -2.24 3.19 0.06 1.61 0.40 0.15 -4.91 117.98 116.23 2k9s s PHE 81 Ca 0.00 1.02 0.05 0.00 -0.60 0.00 0.00 56.93 57.40 2k9s s PHE 81 Cb 0.00 -3.44 -0.23 0.00 0.51 0.00 0.00 43.02 39.86 2k9s s PHE 81 CO 0.00 -0.66 1.05 -0.44 0.70 0.00 0.00 175.22 175.88 2k9s h ASP 82 N 8.07 0.11 -3.71 1.36 5.19 -1.93 -2.62 116.42 122.88 2k9s h ASP 82 Ca -0.22 -0.14 -0.63 0.00 -0.62 0.00 0.00 57.03 55.42 2k9s h ASP 82 Cb 1.08 -0.04 -0.15 0.00 0.18 0.00 0.00 39.33 40.40 2k9s h ASP 82 CO 0.96 1.11 -0.23 -1.81 -3.12 0.00 0.00 179.24 176.15 2k9s s ASP 83 N -6.66 6.25 0.22 6.45 1.01 -1.26 -4.95 116.67 117.73 2k9s s ASP 83 Ca -0.03 0.21 -0.07 0.00 0.71 0.00 0.00 52.55 53.38 2k9s s ASP 83 Cb 0.09 -2.21 0.19 0.00 1.01 0.00 0.00 42.92 41.99 2k9s s ASP 83 CO 0.83 -0.22 1.83 0.06 0.21 0.00 0.00 175.17 177.88 2k9s h GLN 84 N 8.22 1.24 -0.15 8.23 -0.00 -1.86 -2.38 115.11 128.41 2k9s h GLN 84 Ca -0.31 -0.18 -0.11 0.00 -0.00 0.00 0.00 58.65 58.05 2k9s h GLN 84 Cb 1.16 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.48 28.40 2k9s h GLN 84 CO 0.66 0.94 -0.39 -0.07 -0.00 0.00 0.00 178.83 179.96 2k9s h LEU 85 N 1.23 0.34 -0.83 0.06 3.38 -1.93 -2.90 115.31 114.66 2k9s h LEU 85 Ca 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k9s h LEU 85 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2k9s h LEU 85 CO -0.04 0.71 0.53 0.22 0.09 0.00 0.00 178.44 179.95 2k9s h TYR 86 N 0.28 1.07 -0.33 1.13 3.20 -1.85 0.10 116.97 120.57 2k9s h TYR 86 Ca 0.03 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2k9s h TYR 86 Cb 0.82 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2k9s h TYR 86 CO 0.02 0.69 -0.03 0.35 -1.64 0.00 0.00 178.16 177.55 2k9s h PHE 87 N 1.14 0.66 -0.49 -3.82 3.57 -1.37 -2.17 116.94 114.46 2k9s h PHE 87 Ca 0.30 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2k9s h PHE 87 Cb -0.10 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 2k9s h PHE 87 CO -0.01 0.74 -0.02 0.66 -2.23 0.00 0.00 178.31 177.44 2k9s h SER 88 N 0.39 0.80 0.09 0.41 4.64 -1.29 0.29 113.55 118.88 2k9s h SER 88 Ca 0.09 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2k9s h SER 88 Cb 0.49 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2k9s h SER 88 CO 0.02 0.88 -0.04 0.03 -0.87 0.00 0.00 176.83 176.85 2k9s h ARG 89 N 0.76 -0.11 -0.15 4.77 3.08 -0.69 0.24 114.38 122.28 2k9s h ARG 89 Ca 0.14 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2k9s h ARG 89 Cb 0.50 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 2k9s h ARG 89 CO 0.02 0.06 -0.20 0.28 -1.07 0.00 0.00 179.97 179.07 2k9s h VAL 90 N -0.26 1.35 -0.51 2.04 2.07 -1.32 -3.15 116.25 116.47 2k9s h VAL 90 Ca -0.01 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2k9s h VAL 90 Cb 0.22 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2k9s h VAL 90 CO 0.02 0.42 0.25 0.15 0.02 0.00 0.00 177.57 178.43 2k9s h PHE 91 N 0.02 0.70 -0.62 1.57 3.04 -0.42 -1.58 116.94 119.64 2k9s h PHE 91 Ca 0.02 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2k9s h PHE 91 Cb 0.76 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.99 2k9s h PHE 91 CO 0.09 0.51 0.34 -0.22 -2.02 0.00 0.00 178.31 177.01 2k9s h LYS 92 N 0.71 0.61 0.00 1.11 3.64 -0.48 -1.39 116.57 120.78 2k9s h LYS 92 Ca 0.18 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2k9s h LYS 92 Cb 0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2k9s h LYS 92 CO -0.03 0.40 -0.46 0.87 -2.27 0.00 0.00 179.45 177.97 2k9s h LYS 93 N 0.63 0.00 -0.03 1.90 6.56 -1.43 0.74 116.57 124.94 2k9s h LYS 93 Ca 0.28 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.87 2k9s h LYS 93 Cb 0.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 2k9s h LYS 93 CO -0.18 0.46 -0.01 0.00 -2.06 0.00 0.00 179.45 177.66 2k9s n THR 95 N -5.10 0.00 -0.02 0.00 -2.24 -0.98 -4.98 114.28 100.95 2k9s n THR 95 Ca -0.06 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2k9s n THR 95 Cb 0.04 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2k9s n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k9s n GLY 96 N 1.41 0.65 3.01 3.38 0.00 0.23 -5.04 105.19 108.83 2k9s n GLY 96 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2k9s n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k9s s ALA 97 N -2.24 0.35 0.92 4.61 0.00 0.29 -4.82 121.76 120.86 2k9s s ALA 97 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 2k9s s ALA 97 Cb 0.00 0.07 0.14 0.00 0.00 0.00 0.00 23.12 23.33 2k9s s ALA 97 CO 0.00 -0.06 1.10 -1.12 0.00 0.00 0.00 175.76 175.68 2k9s s SER 98 N -1.28 3.11 0.29 0.00 0.01 -1.26 -4.09 113.70 110.48 2k9s s SER 98 Ca -0.10 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.07 2k9s s SER 98 Cb -0.08 -2.43 0.42 0.00 0.21 0.00 0.00 66.02 64.14 2k9s s SER 98 CO -0.00 -2.92 1.67 1.55 0.41 0.00 0.00 173.24 173.95 2k9s h PRO 99 N -1.75 0.19 -0.22 12.44 0.13 -1.91 -2.59 132.00 138.30 2k9s h PRO 99 Ca -0.47 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 64.46 2k9s h PRO 99 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k9s h PRO 99 CO 0.48 0.63 -0.28 0.66 -0.23 0.00 0.00 178.00 179.26 2k9s h SER 100 N 0.16 0.44 -0.02 1.44 4.64 -1.98 -1.84 113.55 116.39 2k9s h SER 100 Ca 0.01 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 2k9s h SER 100 Cb 0.89 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2k9s h SER 100 CO 0.07 0.71 -0.21 -0.08 -0.87 0.00 0.00 176.83 176.45 2k9s h GLU 101 N 0.38 0.17 -0.97 4.77 4.57 -1.90 -3.11 114.58 118.50 2k9s h GLU 101 Ca 0.05 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2k9s h GLU 101 Cb 0.69 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.26 2k9s h GLU 101 CO 0.05 0.86 0.63 0.35 -1.18 0.00 0.00 179.01 179.73 2k9s h PHE 102 N -0.46 1.19 -0.93 0.92 3.57 -1.43 -1.83 116.94 117.97 2k9s h PHE 102 Ca -0.02 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2k9s h PHE 102 Cb 0.92 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2k9s h PHE 102 CO 0.16 0.68 0.61 -0.09 -2.23 0.00 0.00 178.31 177.44 2k9s h ARG 103 N 1.22 1.19 0.00 1.11 2.43 -1.39 -1.20 114.38 117.73 2k9s h ARG 103 Ca 0.39 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2k9s h ARG 103 Cb 0.02 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2k9s h ARG 103 CO -0.13 0.78 -0.23 0.00 -1.51 0.00 0.00 179.97 178.89 2k9s h ALA 104 N 1.44 1.35 0.00 2.80 0.00 -1.26 -3.46 119.26 120.12 2k9s h ALA 104 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k9s h ALA 104 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k9s h ALA 104 CO -0.09 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2k9s n GLY 105 N -0.57 0.66 3.71 0.00 0.00 -0.45 -5.04 105.19 103.50 2k9s n GLY 105 Ca -0.02 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32