#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 6.93 0.19 6.12 -1.08 -1.26 -4.97 116.67 122.60 2k9s s ASP 2 Ca 0.00 1.79 -0.12 0.00 -0.52 0.00 0.00 52.55 53.70 2k9s s ASP 2 Cb 0.00 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 39.08 2k9s s ASP 2 CO 0.00 -0.36 1.78 0.78 0.52 0.00 0.00 175.17 177.89 2k9s h ASN 3 N 2.21 0.36 -0.28 -0.34 4.21 -2.03 -1.38 115.58 118.33 2k9s h ASN 3 Ca -0.48 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.03 2k9s h ASN 3 Cb 1.19 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 2k9s h ASN 3 CO 0.62 0.24 0.06 0.08 -1.29 0.00 0.00 177.43 177.14 2k9s h ARG 4 N 0.50 0.54 -0.84 0.81 -0.00 -2.00 -2.42 114.38 110.97 2k9s h ARG 4 Ca 0.25 -0.09 0.00 0.00 -0.00 0.00 0.00 59.98 60.14 2k9s h ARG 4 Cb 0.19 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.97 30.03 2k9s h ARG 4 CO -0.19 0.52 0.54 0.28 -0.00 0.00 0.00 179.97 181.12 2k9s h VAL 5 N 0.53 1.22 -0.48 0.08 2.07 -1.64 -0.12 116.25 117.91 2k9s h VAL 5 Ca 0.12 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 2k9s h VAL 5 Cb 0.24 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2k9s h VAL 5 CO 0.00 0.22 -0.11 -0.09 0.02 0.00 0.00 177.57 177.61 2k9s h ARG 6 N 1.14 0.88 -0.10 1.57 2.43 -1.11 0.21 114.38 119.40 2k9s h ARG 6 Ca 0.31 -0.31 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2k9s h ARG 6 Cb -0.11 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2k9s h ARG 6 CO -0.06 0.94 -0.62 0.93 -1.51 0.00 0.00 179.97 179.65 2k9s h GLU 7 N 0.79 0.35 -0.04 0.20 5.08 -1.25 -2.31 114.58 117.39 2k9s h GLU 7 Ca 0.13 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2k9s h GLU 7 Cb 0.63 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k9s h GLU 7 CO 0.04 0.86 -0.27 0.00 -1.00 0.00 0.00 179.01 178.64 2k9s h ALA 8 N 1.08 0.09 -0.11 3.43 0.00 -0.84 -3.18 119.26 119.73 2k9s h ALA 8 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2k9s h ALA 8 Cb 1.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k9s h ALA 8 CO 0.10 0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 2k9s h GLN 10 N 0.15 0.84 -0.33 0.00 5.75 -1.42 -2.07 115.11 118.04 2k9s h GLN 10 Ca 0.04 -0.16 -0.13 0.00 -0.15 0.00 0.00 58.65 58.25 2k9s h GLN 10 Cb 0.23 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2k9s h GLN 10 CO 0.01 0.74 -0.29 -0.92 -2.65 0.00 0.00 178.83 175.72 2k9s h TYR 11 N 0.82 0.92 -0.77 3.99 3.20 -1.38 -3.12 116.97 120.63 2k9s h TYR 11 Ca 0.19 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2k9s h TYR 11 Cb 0.25 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2k9s h TYR 11 CO 0.02 1.03 0.44 0.82 -1.64 0.00 0.00 178.16 178.83 2k9s h ILE 12 N 0.54 1.22 -0.57 1.81 2.04 -1.27 -2.17 117.51 119.11 2k9s h ILE 12 Ca 0.06 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.47 2k9s h ILE 12 Cb 0.86 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2k9s h ILE 12 CO 0.07 0.24 0.38 0.77 0.00 0.00 0.00 178.15 179.61 2k9s h SER 13 N 1.05 0.44 0.52 1.72 4.64 -1.34 0.95 113.55 121.53 2k9s h SER 13 Ca 0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 2k9s h SER 13 Cb -0.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2k9s h SER 13 CO -0.05 0.28 -0.21 -0.78 -0.87 0.00 0.00 176.83 175.20 2k9s h ASP 14 N 0.50 0.00 -0.37 4.97 3.58 -1.33 -2.36 116.42 121.41 2k9s h ASP 14 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2k9s h ASP 14 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2k9s h ASP 14 CO -0.07 0.21 0.00 1.41 -2.88 0.00 0.00 179.24 177.91 2k9s n HIS 15 N -3.68 1.13 -0.31 0.28 8.25 0.22 -4.62 115.22 116.49 2k9s n HIS 15 Ca -0.01 -0.77 0.04 0.00 -0.26 0.00 0.00 57.72 56.72 2k9s n HIS 15 Cb 0.33 -0.30 0.19 0.00 1.12 0.00 0.00 29.99 31.33 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 2.46 0.75 0.00 2.41 5.85 -0.68 -0.69 115.31 125.42 2k9s h LEU 16 Ca 0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2k9s h LEU 16 Cb 1.44 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2k9s h LEU 16 CO 0.24 0.41 -0.50 0.00 -0.34 0.00 0.00 178.44 178.26 2k9s h ALA 17 N 1.49 0.77 -2.53 1.25 0.00 -1.82 -3.39 119.26 115.04 2k9s h ALA 17 Ca 0.43 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.69 2k9s h ALA 17 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2k9s h ALA 17 CO -0.26 0.15 0.30 -0.51 0.00 0.00 0.00 179.25 178.93 2k9s s ASP 18 N -5.93 7.34 0.24 0.00 1.01 -0.27 -4.41 116.67 114.65 2k9s s ASP 18 Ca 0.03 1.61 0.12 0.00 0.71 0.00 0.00 52.55 55.03 2k9s s ASP 18 Cb 0.07 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.59 2k9s s ASP 18 CO 0.73 -0.15 1.47 0.28 0.21 0.00 0.00 175.17 177.71 2k9s h SER 19 N 6.28 0.00 -1.45 0.27 0.02 -1.88 -3.42 113.55 113.37 2k9s h SER 19 Ca -0.42 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.07 2k9s h SER 19 Cb 1.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 2k9s h SER 19 CO 0.74 0.67 1.13 0.20 -1.14 0.00 0.00 176.83 178.43 2k9s s ASN 20 N -6.60 5.66 -0.21 3.07 -0.87 -1.26 -4.95 114.94 109.79 2k9s s ASN 20 Ca 0.01 -0.52 0.00 0.00 -1.57 0.00 0.00 52.86 50.78 2k9s s ASN 20 Cb 0.10 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.80 2k9s s ASN 20 CO 0.76 -2.21 -0.14 0.12 -2.57 0.00 0.00 177.10 173.06 2k9s s PHE 21 N 7.89 2.92 -0.28 2.20 5.36 -1.26 -5.05 117.98 129.76 2k9s s PHE 21 Ca 0.58 -1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 54.91 2k9s s PHE 21 Cb -0.07 -1.97 0.04 0.00 -0.34 0.00 0.00 43.02 40.68 2k9s s PHE 21 CO 0.06 -0.77 -0.04 0.34 -1.46 0.00 0.00 175.22 173.35 2k9s s ASP 22 N 1.30 4.61 0.58 6.13 2.15 -1.26 -4.97 116.67 125.21 2k9s s ASP 22 Ca 0.02 -1.18 0.28 0.00 0.43 0.00 0.00 52.55 52.11 2k9s s ASP 22 Cb -0.15 -1.66 1.56 0.00 -0.30 0.00 0.00 42.92 42.37 2k9s s ASP 22 CO -0.09 -0.21 2.02 -0.29 -0.17 0.00 0.00 175.17 176.43 2k9s h ILE 23 N 6.43 0.47 -0.52 4.11 2.10 -2.01 -0.69 117.51 127.41 2k9s h ILE 23 Ca -0.24 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.67 2k9s h ILE 23 Cb 1.07 0.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 2k9s h ILE 23 CO 0.53 0.00 0.20 0.00 -1.08 0.00 0.00 178.15 177.80 2k9s h ALA 24 N 1.66 0.67 -0.09 0.18 0.00 -1.99 -2.45 119.26 117.24 2k9s h ALA 24 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2k9s h ALA 24 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k9s h ALA 24 CO -0.00 0.29 -0.10 0.77 0.00 0.00 0.00 179.25 180.21 2k9s h SER 25 N 0.70 0.12 -0.08 0.00 0.02 -1.55 -0.79 113.55 111.98 2k9s h SER 25 Ca 0.17 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2k9s h SER 25 Cb 0.21 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k9s h SER 25 CO -0.01 0.24 -0.02 0.58 -1.14 0.00 0.00 176.83 176.49 2k9s h VAL 26 N 0.13 1.29 -0.49 2.27 2.07 -1.39 -1.36 116.25 118.77 2k9s h VAL 26 Ca 0.03 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 2k9s h VAL 26 Cb 0.27 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2k9s h VAL 26 CO 0.02 0.25 -0.09 0.00 0.02 0.00 0.00 177.57 177.77 2k9s h ALA 27 N 0.68 0.67 -0.53 1.67 0.00 -1.21 -2.97 119.26 117.57 2k9s h ALA 27 Ca 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k9s h ALA 27 Cb 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k9s h ALA 27 CO 0.01 0.55 0.17 0.37 0.00 0.00 0.00 179.25 180.35 2k9s h GLN 28 N 0.77 0.79 -0.50 0.00 4.15 -1.12 0.58 115.11 119.79 2k9s h GLN 28 Ca 0.13 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.49 2k9s h GLN 28 Cb 0.63 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2k9s h GLN 28 CO 0.04 0.68 0.34 1.25 -1.93 0.00 0.00 178.83 179.21 2k9s h HIS 29 N 0.77 0.37 -0.58 3.99 2.76 -1.08 0.67 115.15 122.05 2k9s h HIS 29 Ca 0.18 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2k9s h HIS 29 Cb 0.22 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2k9s h HIS 29 CO 0.01 0.19 0.00 1.33 -1.30 0.00 0.00 177.93 178.16 2k9s n VAL 30 N -4.47 2.45 -4.00 5.26 0.24 -0.83 -4.93 118.33 112.04 2k9s n VAL 30 Ca 0.07 -1.37 -0.32 0.00 -2.04 0.00 0.00 64.34 60.69 2k9s n VAL 30 Cb 0.31 -0.14 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 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 -7.25 1.79 0.68 0.00 0.20 0.14 -5.00 118.68 109.24 2k9s s LEU 32 Ca 0.64 -1.13 -0.11 0.00 0.69 0.00 0.00 54.13 54.22 2k9s s LEU 32 Cb -0.33 0.39 -0.00 0.00 -0.43 0.00 0.00 46.19 45.82 2k9s s LEU 32 CO 0.86 -0.73 1.05 -0.44 -0.29 0.00 0.00 176.35 176.81 2k9s s SER 33 N -3.01 5.59 0.21 3.68 0.01 -1.26 -3.23 113.70 115.68 2k9s s SER 33 Ca 0.20 1.57 -0.03 0.00 1.31 0.00 0.00 55.95 59.00 2k9s s SER 33 Cb 0.07 -2.49 0.16 0.00 0.21 0.00 0.00 66.02 63.97 2k9s s SER 33 CO -0.01 -1.30 1.56 1.55 0.41 0.00 0.00 173.24 175.45 2k9s h PRO 34 N -0.62 0.62 -0.35 12.44 0.13 -1.90 -2.08 132.00 140.24 2k9s h PRO 34 Ca -0.44 -0.33 -0.04 0.00 -0.87 0.00 0.00 66.00 64.32 2k9s h PRO 34 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2k9s h PRO 34 CO 0.58 0.93 0.05 0.66 -0.23 0.00 0.00 178.00 179.99 2k9s h SER 35 N 0.51 0.57 -0.46 1.44 4.64 -1.97 0.56 113.55 118.83 2k9s h SER 35 Ca 0.04 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 2k9s h SER 35 Cb 0.94 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2k9s h SER 35 CO 0.08 0.69 -0.13 0.03 -0.87 0.00 0.00 176.83 176.63 2k9s h ARG 36 N 0.43 0.90 -0.35 4.77 2.47 -1.95 -2.36 114.38 118.28 2k9s h ARG 36 Ca 0.11 -0.35 -0.06 0.00 -1.26 0.00 0.00 59.98 58.42 2k9s h ARG 36 Cb 0.36 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2k9s h ARG 36 CO 0.01 1.00 0.01 1.25 0.56 0.00 0.00 179.97 182.80 2k9s h LEU 37 N 0.74 0.61 -1.29 3.04 5.85 -1.28 -2.90 115.31 120.09 2k9s h LEU 37 Ca 0.11 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k9s h LEU 37 Cb 0.68 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2k9s h LEU 37 CO 0.05 0.76 0.48 0.77 -0.34 0.00 0.00 178.44 180.16 2k9s h SER 38 N 0.44 0.83 -0.03 1.25 4.64 -0.84 0.14 113.55 119.98 2k9s h SER 38 Ca 0.10 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2k9s h SER 38 Cb 0.45 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2k9s h SER 38 CO 0.02 0.60 0.01 -0.74 -0.87 0.00 0.00 176.83 175.85 2k9s h HIS 39 N 0.98 0.02 -0.02 4.77 -0.00 -1.23 -0.77 115.15 118.89 2k9s h HIS 39 Ca 0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.50 2k9s h HIS 39 Cb -0.11 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2k9s h HIS 39 CO 0.00 0.01 -0.61 -0.07 -0.00 0.00 0.00 177.93 177.26 2k9s h LEU 40 N 0.03 0.09 0.15 0.26 3.38 -1.29 -2.12 115.31 115.80 2k9s h LEU 40 Ca 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k9s h LEU 40 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2k9s h LEU 40 CO -0.02 0.68 -0.07 0.15 0.09 0.00 0.00 178.44 179.27 2k9s h PHE 41 N 0.06 -0.19 0.00 1.13 3.04 -0.36 0.42 116.94 121.03 2k9s h PHE 41 Ca -0.01 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 2k9s h PHE 41 Cb 1.10 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 2k9s h PHE 41 CO 0.01 0.01 -0.32 -0.09 -2.02 0.00 0.00 178.31 175.89 2k9s h ARG 42 N -0.36 0.00 0.08 1.11 2.43 -1.18 0.40 114.38 116.86 2k9s h ARG 42 Ca -0.02 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 2k9s h ARG 42 Cb 0.28 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2k9s h ARG 42 CO 0.03 0.32 -0.91 0.37 -1.51 0.00 0.00 179.97 178.28 2k9s h GLN 43 N 0.00 0.48 0.22 0.20 -0.00 -1.13 0.54 115.11 115.42 2k9s h GLN 43 Ca -0.00 -0.62 -0.32 0.00 -0.00 0.00 0.00 58.65 57.70 2k9s h GLN 43 Cb 0.76 0.20 0.03 0.00 0.00 0.00 0.00 27.48 28.47 2k9s h GLN 43 CO 0.04 1.25 -1.45 1.96 0.00 0.00 0.00 178.83 180.64 2k9s h GLN 44 N 0.00 0.46 0.00 1.69 7.50 -0.09 -3.30 115.11 121.36 2k9s h GLN 44 Ca -0.14 -0.79 0.00 0.00 0.50 0.00 0.00 58.65 58.23 2k9s h GLN 44 Cb 1.63 0.29 0.00 0.00 0.05 0.00 0.00 27.48 29.45 2k9s h GLN 44 CO 0.18 1.37 -0.71 -0.07 -1.50 0.00 0.00 178.83 178.10 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 3.38 -0.32 -3.46 115.31 116.50 2k9s h LEU 45 Ca -0.23 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2k9s h LEU 45 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 2k9s h LEU 45 CO 0.25 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.46 2k9s n GLY 46 N 1.27 0.19 3.54 0.83 0.00 0.19 -4.92 105.19 106.28 2k9s n GLY 46 Ca 0.02 0.00 -0.10 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 -1.41 0.00 0.51 -0.61 -4.36 -1.13 -4.96 121.20 109.24 2k9s s ILE 47 Ca 0.00 -1.49 -0.18 0.00 -0.26 0.00 0.00 60.65 58.72 2k9s s ILE 47 Cb 0.00 -2.31 -0.07 0.00 1.25 0.00 0.00 42.46 41.32 2k9s s ILE 47 CO 0.00 0.00 1.01 -0.55 0.24 0.00 0.00 174.94 175.64 2k9s s SER 48 N -3.06 6.41 0.28 4.36 0.15 -1.26 -3.84 113.70 116.73 2k9s s SER 48 Ca 0.25 1.72 0.01 0.00 0.70 0.00 0.00 55.95 58.64 2k9s s SER 48 Cb 0.00 -2.53 0.57 0.00 -1.71 0.00 0.00 66.02 62.35 2k9s s SER 48 CO 0.11 -0.73 1.82 -0.37 1.20 0.00 0.00 173.24 175.27 2k9s h VAL 49 N 1.08 0.89 -0.54 4.45 -1.51 -1.95 0.25 116.25 118.92 2k9s h VAL 49 Ca -0.48 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 2k9s h VAL 49 Cb 1.20 -0.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.19 2k9s h VAL 49 CO 0.60 0.17 0.24 -0.07 -1.23 0.00 0.00 177.57 177.28 2k9s h LEU 50 N 0.94 0.68 -0.04 4.19 3.38 -1.99 -0.20 115.31 122.28 2k9s h LEU 50 Ca 0.50 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 2k9s h LEU 50 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k9s h LEU 50 CO -0.28 0.60 -0.16 0.28 0.09 0.00 0.00 178.44 178.97 2k9s h SER 51 N 0.76 0.21 -0.28 -0.43 0.02 -1.39 -2.54 113.55 109.89 2k9s h SER 51 Ca 0.19 -0.64 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2k9s h SER 51 Cb 0.11 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2k9s h SER 51 CO -0.02 0.81 0.18 -0.25 -1.14 0.00 0.00 176.83 176.41 2k9s h TRP 52 N -0.39 0.34 -0.36 3.45 7.01 -0.96 0.24 115.95 125.29 2k9s h TRP 52 Ca -0.01 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.03 2k9s h TRP 52 Cb 0.80 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 2k9s h TRP 52 CO 0.14 0.21 0.18 -0.09 -2.79 0.00 0.00 178.44 176.09 2k9s h ARG 53 N 0.37 0.36 -0.34 2.65 2.43 -1.11 -1.26 114.38 117.48 2k9s h ARG 53 Ca 0.11 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2k9s h ARG 53 Cb -0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2k9s h ARG 53 CO -0.03 0.24 0.01 1.49 -1.51 0.00 0.00 179.97 180.17 2k9s h GLU 54 N 0.37 0.59 -0.61 0.20 4.81 -1.19 -1.39 114.58 117.36 2k9s h GLU 54 Ca 0.15 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2k9s h GLU 54 Cb 0.06 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2k9s h GLU 54 CO -0.10 0.70 0.26 0.22 -0.73 0.00 0.00 179.01 179.36 2k9s h ASP 55 N 0.40 0.30 0.05 1.04 1.82 -0.23 -1.20 116.42 118.60 2k9s h ASP 55 Ca 0.10 0.06 -0.13 0.00 -0.39 0.00 0.00 57.03 56.67 2k9s h ASP 55 Cb 0.43 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 2k9s h ASP 55 CO 0.01 0.18 -0.43 1.56 -1.61 0.00 0.00 179.24 178.96 2k9s h GLN 56 N 0.47 0.47 -0.51 0.28 7.50 -1.13 -3.10 115.11 119.09 2k9s h GLN 56 Ca 0.30 -0.24 0.02 0.00 0.50 0.00 0.00 58.65 59.22 2k9s h GLN 56 Cb 0.33 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.83 2k9s h GLN 56 CO -0.27 0.82 0.32 0.00 -1.50 0.00 0.00 178.83 178.20 2k9s h ARG 57 N 0.38 0.62 -0.47 1.46 3.08 -0.11 0.23 114.38 119.58 2k9s h ARG 57 Ca 0.03 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2k9s h ARG 57 Cb 0.91 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 2k9s h ARG 57 CO 0.08 0.41 0.29 0.82 -1.07 0.00 0.00 179.97 180.50 2k9s h ILE 58 N 0.64 1.07 -0.05 2.04 1.08 -1.25 -0.21 117.51 120.83 2k9s h ILE 58 Ca 0.20 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 2k9s h ILE 58 Cb -0.02 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 2k9s h ILE 58 CO -0.07 0.11 -0.52 -1.28 -0.69 0.00 0.00 178.15 175.70 2k9s h SER 59 N 0.59 0.14 -0.34 1.72 0.87 -1.40 -2.72 113.55 112.40 2k9s h SER 59 Ca 0.18 -0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 2k9s h SER 59 Cb -0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2k9s h SER 59 CO -0.07 0.63 -0.33 -0.61 -0.53 0.00 0.00 176.83 175.92 2k9s h GLN 60 N 0.10 0.87 -0.32 2.24 5.75 0.05 -1.94 115.11 121.86 2k9s h GLN 60 Ca 0.00 -0.42 -0.11 0.00 -0.15 0.00 0.00 58.65 57.97 2k9s h GLN 60 Cb 0.95 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 2k9s h GLN 60 CO 0.07 1.07 -0.27 0.00 -2.65 0.00 0.00 178.83 177.05 2k9s h ALA 61 N 0.89 0.93 -0.06 3.38 0.00 -0.95 -2.91 119.26 120.54 2k9s h ALA 61 Ca 0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2k9s h ALA 61 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k9s h ALA 61 CO 0.08 0.61 -0.59 0.87 0.00 0.00 0.00 179.25 180.23 2k9s h LYS 62 N 0.56 0.21 -0.04 0.00 1.57 -1.38 -2.31 116.57 115.18 2k9s h LYS 62 Ca 0.07 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2k9s h LYS 62 Cb 0.75 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2k9s h LYS 62 CO 0.06 0.73 -0.07 1.25 -0.57 0.00 0.00 179.45 180.85 2k9s h LEU 63 N 0.15 -0.22 -0.56 2.94 7.12 -1.15 0.60 115.31 124.19 2k9s h LEU 63 Ca -0.00 0.04 -0.15 0.00 0.13 0.00 0.00 57.88 57.89 2k9s h LEU 63 Cb 1.08 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 2k9s h LEU 63 CO 0.09 -0.11 -0.48 0.17 -0.13 0.00 0.00 178.44 177.98 2k9s h LEU 64 N -0.11 0.66 -1.69 2.25 8.10 -1.56 -2.93 115.31 120.03 2k9s h LEU 64 Ca 0.04 -0.32 -0.04 0.00 0.11 0.00 0.00 57.88 57.67 2k9s h LEU 64 Cb 0.17 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 2k9s h LEU 64 CO -0.10 1.03 -0.18 0.25 -4.11 0.00 0.00 178.44 175.33 2k9s h LEU 65 N 0.48 0.00 -1.38 0.17 6.46 -1.06 0.31 115.31 120.30 2k9s h LEU 65 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2k9s h LEU 65 Cb 1.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 2k9s h LEU 65 CO 0.09 0.18 0.00 -1.28 -0.62 0.00 0.00 178.44 176.81 2k9s h SER 66 N 0.00 0.00 0.00 1.25 0.87 -0.68 -2.81 113.55 112.17 2k9s h SER 66 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k9s h SER 66 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2k9s h SER 66 CO 0.02 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.39 2k9s n THR 67 N -2.78 0.23 -4.27 2.23 5.66 -0.52 -5.05 114.28 109.77 2k9s n THR 67 Ca 0.01 -0.55 -0.15 0.00 -3.05 0.00 0.00 64.05 60.31 2k9s n THR 67 Cb 0.24 0.98 -0.10 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.23 1.00 -0.10 1.09 -4.23 0.99 -5.05 115.64 109.11 2k9s s THR 68 Ca 0.00 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.62 2k9s s THR 68 Cb 0.00 -2.05 0.21 0.00 1.34 0.00 0.00 72.50 72.01 2k9s s THR 68 CO 0.00 -0.57 1.10 -2.11 -0.54 0.00 0.00 174.62 172.51 2k9s n ARG 69 N -0.27 1.35 -0.99 3.99 0.00 -1.26 -4.61 116.66 114.87 2k9s n ARG 69 Ca -0.08 -2.23 -0.33 0.00 -0.00 0.00 0.00 57.85 55.22 2k9s n ARG 69 Cb 0.62 -1.31 0.14 0.00 -0.00 0.00 0.00 32.46 31.91 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 -2.27 1.46 0.93 2.89 -1.94 -1.26 -4.99 119.30 114.12 2k9s s MET 70 Ca 0.24 1.68 -0.12 0.00 -1.71 0.00 0.00 55.69 55.78 2k9s s MET 70 Cb 0.21 -1.76 0.15 0.00 2.01 0.00 0.00 34.83 35.43 2k9s s MET 70 CO 0.02 -2.33 1.09 -1.25 -0.01 0.00 0.00 175.02 172.54 2k9s s PRO 71 N -4.31 0.98 0.45 2.03 0.04 -1.26 -4.79 135.00 128.14 2k9s s PRO 71 Ca 0.71 0.72 0.13 0.00 0.04 0.00 0.00 61.00 62.60 2k9s s PRO 71 Cb -0.27 -1.78 1.00 0.00 0.04 0.00 0.00 34.50 33.49 2k9s s PRO 71 CO 0.53 -2.41 2.02 0.82 0.04 0.00 0.00 177.00 178.00 2k9s h ILE 72 N -1.67 1.10 -0.20 0.56 1.08 -1.98 -1.57 117.51 114.83 2k9s h ILE 72 Ca -0.51 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 2k9s h ILE 72 Cb 1.30 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 2k9s h ILE 72 CO 0.55 0.14 0.05 0.00 -0.69 0.00 0.00 178.15 178.20 2k9s h ALA 73 N 1.81 0.26 0.00 1.87 0.00 -1.94 -0.06 119.26 121.22 2k9s h ALA 73 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k9s h ALA 73 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k9s h ALA 73 CO 0.01 -0.09 -0.00 1.15 0.00 0.00 0.00 179.25 180.32 2k9s h THR 74 N 0.14 1.30 -0.95 0.00 2.02 -1.84 -3.12 112.91 110.45 2k9s h THR 74 Ca 0.06 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.40 2k9s h THR 74 Cb 0.28 1.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 2k9s h THR 74 CO 0.00 0.23 0.61 0.58 0.37 0.00 0.00 175.52 177.31 2k9s h VAL 75 N -0.39 1.11 -0.53 3.16 2.07 -1.32 -1.56 116.25 118.80 2k9s h VAL 75 Ca -0.00 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.23 2k9s h VAL 75 Cb 0.38 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2k9s h VAL 75 CO 0.00 0.21 0.37 1.23 0.02 0.00 0.00 177.57 179.40 2k9s h GLY 76 N 1.15 0.39 1.79 2.17 0.00 -0.96 -0.36 103.07 107.25 2k9s h GLY 76 Ca 0.39 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 2k9s h GLY 76 CO -0.15 0.07 -0.54 3.21 0.00 0.00 0.00 176.54 179.13 2k9s h ARG 77 N 0.28 0.22 -0.17 4.80 -0.00 -0.58 0.41 114.38 119.33 2k9s h ARG 77 Ca 0.25 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 2k9s h ARG 77 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.59 2k9s h ARG 77 CO -0.05 0.70 0.11 -0.91 0.00 0.00 0.00 179.97 179.82 2k9s h ASN 78 N 0.17 0.18 -0.07 7.04 2.35 -0.97 0.34 115.58 124.63 2k9s h ASN 78 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k9s h ASN 78 Cb 1.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2k9s h ASN 78 CO 0.08 0.13 0.00 1.33 -1.65 0.00 0.00 177.43 177.32 2k9s n VAL 79 N -4.51 0.07 -0.35 2.81 0.24 -1.12 -4.61 118.33 110.86 2k9s n VAL 79 Ca -0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2k9s n VAL 79 Cb 0.08 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 1.22 0.68 3.59 7.63 0.00 0.11 -4.74 105.19 113.69 2k9s n GLY 80 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.66 3.21 0.03 1.61 0.08 0.14 -4.86 117.98 115.54 2k9s s PHE 81 Ca 0.00 0.48 0.06 0.00 0.12 0.00 0.00 56.93 57.59 2k9s s PHE 81 Cb 0.00 -2.94 -0.23 0.00 -0.57 0.00 0.00 43.02 39.28 2k9s s PHE 81 CO 0.00 -0.47 0.96 -0.44 -0.10 0.00 0.00 175.22 175.17 2k9s h ASP 82 N 8.24 0.10 -3.50 1.36 5.19 -1.92 -2.15 116.42 123.74 2k9s h ASP 82 Ca -0.27 -0.14 -0.61 0.00 -0.62 0.00 0.00 57.03 55.38 2k9s h ASP 82 Cb 1.12 -0.03 -0.12 0.00 0.18 0.00 0.00 39.33 40.48 2k9s h ASP 82 CO 0.78 1.12 0.18 -1.81 -3.12 0.00 0.00 179.24 176.39 2k9s s ASP 83 N -6.57 6.55 0.23 6.45 1.11 -1.26 -4.91 116.67 118.27 2k9s s ASP 83 Ca -0.04 0.57 -0.06 0.00 0.18 0.00 0.00 52.55 53.21 2k9s s ASP 83 Cb 0.08 -2.34 0.23 0.00 1.07 0.00 0.00 42.92 41.96 2k9s s ASP 83 CO 0.83 -0.45 1.80 0.06 1.18 0.00 0.00 175.17 178.59 2k9s h GLN 84 N 8.05 1.12 -0.64 8.23 3.07 -1.89 -2.51 115.11 130.55 2k9s h GLN 84 Ca -0.26 -0.20 -0.05 0.00 0.09 0.00 0.00 58.65 58.23 2k9s h GLN 84 Cb 1.12 -0.18 -0.03 0.00 0.08 0.00 0.00 27.48 28.46 2k9s h GLN 84 CO 0.80 0.91 0.21 -0.07 0.09 0.00 0.00 178.83 180.77 2k9s h LEU 85 N 1.09 0.90 -0.35 0.06 3.38 -1.96 -0.56 115.31 117.87 2k9s h LEU 85 Ca 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2k9s h LEU 85 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2k9s h LEU 85 CO -0.02 0.84 0.12 0.22 0.09 0.00 0.00 178.44 179.69 2k9s h TYR 86 N 0.94 0.55 -0.24 1.13 3.20 -1.88 0.24 116.97 120.92 2k9s h TYR 86 Ca 0.21 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2k9s h TYR 86 Cb 0.25 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2k9s h TYR 86 CO 0.02 0.53 -0.02 0.35 -1.64 0.00 0.00 178.16 177.40 2k9s h PHE 87 N 0.42 0.49 -0.50 -3.82 3.57 -1.24 -2.00 116.94 113.86 2k9s h PHE 87 Ca 0.11 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2k9s h PHE 87 Cb 0.22 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2k9s h PHE 87 CO 0.00 0.63 -0.01 1.03 -2.23 0.00 0.00 178.31 177.73 2k9s h SER 88 N 0.21 0.82 0.06 0.41 0.87 -1.03 0.27 113.55 115.16 2k9s h SER 88 Ca 0.07 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2k9s h SER 88 Cb 0.45 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2k9s h SER 88 CO 0.02 0.89 -0.03 0.03 -0.53 0.00 0.00 176.83 177.21 2k9s h ARG 89 N 0.78 -0.08 -0.15 2.24 3.08 -0.41 0.24 114.38 120.09 2k9s h ARG 89 Ca 0.15 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2k9s h ARG 89 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k9s h ARG 89 CO 0.02 0.08 -0.19 0.28 -1.07 0.00 0.00 179.97 179.10 2k9s h VAL 90 N -0.23 1.35 -0.56 2.04 2.07 -1.28 -3.14 116.25 116.51 2k9s h VAL 90 Ca -0.01 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2k9s h VAL 90 Cb 0.20 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2k9s h VAL 90 CO 0.01 0.41 0.28 0.15 0.02 0.00 0.00 177.57 178.45 2k9s h PHE 91 N 0.02 0.76 -0.61 1.57 3.04 -0.45 -1.44 116.94 119.83 2k9s h PHE 91 Ca 0.02 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.00 2k9s h PHE 91 Cb 0.75 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.97 2k9s h PHE 91 CO 0.09 0.55 0.34 -0.22 -2.02 0.00 0.00 178.31 177.05 2k9s h LYS 92 N 0.78 0.62 0.00 1.11 3.64 -0.47 -1.53 116.57 120.72 2k9s h LYS 92 Ca 0.20 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 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 0.41 -0.44 0.87 -2.27 0.00 0.00 179.45 178.00 2k9s h LYS 93 N 0.64 0.00 -0.20 1.90 1.57 -1.41 0.76 116.57 119.84 2k9s h LYS 93 Ca 0.26 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2k9s h LYS 93 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2k9s h LYS 93 CO -0.16 0.44 -0.04 0.00 -0.57 0.00 0.00 179.45 179.12 2k9s n THR 95 N -5.19 0.00 -0.05 0.00 -2.24 -1.10 -4.98 114.28 100.72 2k9s n THR 95 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2k9s n THR 95 Cb 0.12 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.27 0.60 3.01 3.38 0.00 0.24 -5.04 105.19 108.65 2k9s n GLY 96 Ca 0.02 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 -2.25 0.35 0.91 4.61 0.00 0.41 -4.82 121.76 120.97 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 0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.32 2k9s s ALA 97 CO 0.00 -0.06 1.10 -1.54 0.00 0.00 0.00 175.76 175.27 2k9s s SER 98 N -1.27 3.19 0.28 0.00 1.04 -1.26 -4.08 113.70 111.59 2k9s s SER 98 Ca -0.10 1.84 0.06 0.00 0.48 0.00 0.00 55.95 58.23 2k9s s SER 98 Cb -0.08 -2.43 0.41 0.00 0.10 0.00 0.00 66.02 64.02 2k9s s SER 98 CO -0.00 -2.87 1.67 1.55 0.98 0.00 0.00 173.24 174.56 2k9s h PRO 99 N -1.71 0.23 -0.22 4.02 0.13 -1.90 -2.59 132.00 129.95 2k9s h PRO 99 Ca -0.47 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.44 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 0.65 -0.28 1.03 -0.23 0.00 0.00 178.00 179.65 2k9s h SER 100 N 0.18 0.43 -0.02 1.44 0.87 -1.99 -1.32 113.55 113.14 2k9s h SER 100 Ca 0.01 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2k9s h SER 100 Cb 0.89 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2k9s h SER 100 CO 0.07 0.70 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.78 2k9s h GLU 101 N 0.37 0.18 -0.60 2.24 4.81 -1.90 -2.42 114.58 117.27 2k9s h GLU 101 Ca 0.05 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2k9s h GLU 101 Cb 0.68 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 2k9s h GLU 101 CO 0.05 0.86 0.38 0.35 -0.73 0.00 0.00 179.01 179.92 2k9s h PHE 102 N -0.44 0.76 -0.72 0.92 3.04 -1.43 -2.04 116.94 117.03 2k9s h PHE 102 Ca -0.02 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 2k9s h PHE 102 Cb 0.92 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 2k9s h PHE 102 CO 0.16 0.50 0.24 -0.09 -2.02 0.00 0.00 178.31 177.09 2k9s h ARG 103 N 0.81 1.11 -0.34 1.11 1.12 -1.32 -2.56 114.38 114.31 2k9s h ARG 103 Ca 0.22 -0.23 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 2k9s h ARG 103 Cb -0.07 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.71 2k9s h ARG 103 CO -0.04 0.94 0.13 0.00 -3.11 0.00 0.00 179.97 177.89 2k9s h ALA 104 N 1.11 1.58 0.00 2.80 0.00 -1.02 -3.46 119.26 120.28 2k9s h ALA 104 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k9s h ALA 104 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k9s h ALA 104 CO -0.01 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2k9s n GLY 105 N -1.21 1.54 3.74 0.00 0.00 -0.80 -5.03 105.19 103.41 2k9s n GLY 105 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32