#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 6.96 0.18 6.12 -1.08 -1.26 -4.92 116.67 122.68 2k9s s ASP 2 Ca 0.00 1.55 -0.12 0.00 -0.52 0.00 0.00 52.55 53.45 2k9s s ASP 2 Cb 0.00 -2.48 0.15 0.00 -1.46 0.00 0.00 42.92 39.14 2k9s s ASP 2 CO 0.00 -0.22 1.78 -0.55 0.52 0.00 0.00 175.17 176.70 2k9s h ASN 3 N 2.39 0.36 -0.43 -0.34 -1.07 -2.05 0.25 115.58 114.69 2k9s h ASN 3 Ca -0.48 0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.92 2k9s h ASN 3 Cb 1.18 -0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 37.38 2k9s h ASN 3 CO 0.63 0.25 0.28 -0.09 0.07 0.00 0.00 177.43 178.57 2k9s h ARG 4 N 0.50 0.57 -0.49 4.14 2.43 -1.98 -2.62 114.38 116.93 2k9s h ARG 4 Ca 0.23 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2k9s h ARG 4 Cb 0.16 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2k9s h ARG 4 CO -0.17 0.39 -0.11 0.28 -1.51 0.00 0.00 179.97 178.85 2k9s h VAL 5 N 0.58 1.26 -0.75 0.20 2.07 -1.82 -2.79 116.25 114.99 2k9s h VAL 5 Ca 0.16 -1.22 0.14 0.00 0.82 0.00 0.00 66.70 66.59 2k9s h VAL 5 Cb -0.05 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2k9s h VAL 5 CO -0.03 0.42 0.50 0.03 0.02 0.00 0.00 177.57 178.51 2k9s h ARG 6 N 0.81 0.46 -0.07 1.57 -0.00 -0.16 0.81 114.38 117.80 2k9s h ARG 6 Ca 0.13 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.98 59.43 2k9s h ARG 6 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.49 2k9s h ARG 6 CO 0.04 0.31 -0.63 0.93 0.00 0.00 0.00 179.97 180.61 2k9s h GLU 7 N 0.47 0.27 -0.07 0.04 4.39 -1.23 -2.03 114.58 116.42 2k9s h GLU 7 Ca 0.37 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2k9s h GLU 7 Cb 0.75 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2k9s h GLU 7 CO -0.12 0.82 -0.13 0.00 -1.16 0.00 0.00 179.01 178.41 2k9s h ALA 8 N 1.13 0.11 -0.10 3.43 0.00 -0.83 -2.93 119.26 120.07 2k9s h ALA 8 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2k9s h ALA 8 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k9s h ALA 8 CO 0.10 -0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.11 2k9s h GLN 10 N 0.17 0.99 -0.23 0.00 5.75 -1.35 -0.49 115.11 119.94 2k9s h GLN 10 Ca 0.03 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 2k9s h GLN 10 Cb 0.52 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 2k9s h GLN 10 CO 0.04 0.85 -0.22 -0.92 -2.65 0.00 0.00 178.83 175.92 2k9s h TYR 11 N 0.92 0.67 -0.72 3.99 3.20 -1.30 -2.77 116.97 120.96 2k9s h TYR 11 Ca 0.21 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2k9s h TYR 11 Cb 0.26 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2k9s h TYR 11 CO 0.02 0.89 0.33 0.82 -1.64 0.00 0.00 178.16 178.58 2k9s h ILE 12 N 0.26 1.23 -0.48 1.81 2.04 -1.31 -2.55 117.51 118.51 2k9s h ILE 12 Ca 0.04 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2k9s h ILE 12 Cb 0.78 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2k9s h ILE 12 CO 0.06 0.28 0.23 -1.28 0.00 0.00 0.00 178.15 177.43 2k9s h SER 13 N 1.02 0.63 -0.78 1.72 0.87 -1.04 0.06 113.55 116.04 2k9s h SER 13 Ca 0.25 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2k9s h SER 13 Cb 0.13 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 2k9s h SER 13 CO -0.03 0.59 0.51 -0.78 -0.53 0.00 0.00 176.83 176.59 2k9s h ASP 14 N 0.63 0.91 -0.52 6.23 1.82 -1.19 -1.12 116.42 123.18 2k9s h ASP 14 Ca 0.16 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2k9s h ASP 14 Cb 0.13 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.91 2k9s h ASP 14 CO -0.02 0.67 0.00 1.41 -1.61 0.00 0.00 179.24 179.69 2k9s n HIS 15 N -4.40 1.59 0.19 0.28 8.25 -0.99 -4.41 115.22 115.72 2k9s n HIS 15 Ca 0.09 -0.58 0.17 0.00 -0.26 0.00 0.00 57.72 57.14 2k9s n HIS 15 Cb 0.04 -0.36 0.80 0.00 1.12 0.00 0.00 29.99 31.59 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 3.46 0.00 0.00 2.41 5.85 0.35 0.23 115.31 127.61 2k9s h LEU 16 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k9s h LEU 16 Cb 1.57 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 2k9s h LEU 16 CO 0.33 0.00 -0.49 0.00 -0.34 0.00 0.00 178.44 177.95 2k9s h ALA 17 N 1.77 0.77 -2.66 1.25 0.00 -1.80 -3.43 119.26 115.15 2k9s h ALA 17 Ca 0.10 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 2k9s h ALA 17 Cb 0.53 0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.46 2k9s h ALA 17 CO -0.00 0.14 0.41 0.34 0.00 0.00 0.00 179.25 180.13 2k9s s ASP 18 N -5.93 4.66 -0.23 0.00 -1.08 0.82 -4.39 116.67 110.51 2k9s s ASP 18 Ca 0.03 2.27 -0.18 0.00 -0.52 0.00 0.00 52.55 54.16 2k9s s ASP 18 Cb 0.07 -2.58 -0.15 0.00 -1.46 0.00 0.00 42.92 38.80 2k9s s ASP 18 CO 0.73 -1.95 -0.06 -1.20 0.52 0.00 0.00 175.17 173.21 2k9s n SER 19 N -2.38 1.90 -4.58 -0.34 7.64 -1.26 -4.83 113.62 109.78 2k9s n SER 19 Ca 0.13 0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.98 2k9s n SER 19 Cb 0.50 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 2k9s n SER 19 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2k9s s ASN 20 N -7.01 6.51 -0.13 6.43 -0.87 -1.26 -5.01 114.94 113.60 2k9s s ASN 20 Ca -0.32 0.19 -0.02 0.00 -1.57 0.00 0.00 52.86 51.14 2k9s s ASN 20 Cb 0.09 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.77 2k9s s ASN 20 CO 0.52 -1.33 -0.07 0.12 -2.57 0.00 0.00 177.10 173.77 2k9s s PHE 21 N 4.56 2.95 -0.34 2.20 5.36 -1.26 -5.09 117.98 126.35 2k9s s PHE 21 Ca 0.43 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 56.09 2k9s s PHE 21 Cb -0.08 -1.87 0.08 0.00 -0.34 0.00 0.00 43.02 40.82 2k9s s PHE 21 CO 0.27 0.01 0.07 0.34 -1.46 0.00 0.00 175.22 174.46 2k9s s ASP 22 N 0.07 4.94 0.52 6.13 2.15 -1.26 -4.96 116.67 124.26 2k9s s ASP 22 Ca -0.02 -1.78 0.21 0.00 0.43 0.00 0.00 52.55 51.39 2k9s s ASP 22 Cb -0.14 -1.72 1.33 0.00 -0.30 0.00 0.00 42.92 42.09 2k9s s ASP 22 CO 0.03 -0.38 2.06 -0.29 -0.17 0.00 0.00 175.17 176.42 2k9s h ILE 23 N 6.50 0.86 -0.72 4.11 6.09 -2.00 -1.36 117.51 130.98 2k9s h ILE 23 Ca -0.14 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 2k9s h ILE 23 Cb 1.04 0.84 -0.03 0.00 0.47 0.00 0.00 36.82 39.14 2k9s h ILE 23 CO 0.58 0.00 0.41 0.00 -3.07 0.00 0.00 178.15 176.07 2k9s h ALA 24 N 1.85 0.92 -0.41 0.18 0.00 -2.00 -2.14 119.26 117.66 2k9s h ALA 24 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2k9s h ALA 24 Cb 0.55 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k9s h ALA 24 CO -0.00 0.42 0.10 0.77 0.00 0.00 0.00 179.25 180.54 2k9s h SER 25 N 0.99 0.55 -0.31 0.00 0.02 -1.68 -0.80 113.55 112.33 2k9s h SER 25 Ca 0.25 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2k9s h SER 25 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2k9s h SER 25 CO -0.04 0.56 -0.06 0.58 -1.14 0.00 0.00 176.83 176.72 2k9s h VAL 26 N 0.59 1.28 -0.35 2.27 2.07 -1.34 -1.58 116.25 119.19 2k9s h VAL 26 Ca 0.14 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 2k9s h VAL 26 Cb 0.23 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2k9s h VAL 26 CO -0.00 0.35 -0.05 0.00 0.02 0.00 0.00 177.57 177.89 2k9s h ALA 27 N 0.80 0.48 -0.63 1.67 0.00 -1.11 -3.00 119.26 117.47 2k9s h ALA 27 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2k9s h ALA 27 Cb 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2k9s h ALA 27 CO 0.03 0.30 0.29 0.37 0.00 0.00 0.00 179.25 180.23 2k9s h GLN 28 N 0.45 0.90 -0.59 0.00 4.15 -1.13 0.35 115.11 119.25 2k9s h GLN 28 Ca 0.09 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.45 2k9s h GLN 28 Cb 0.54 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 2k9s h GLN 28 CO 0.03 0.71 0.39 1.25 -1.93 0.00 0.00 178.83 179.28 2k9s h HIS 29 N 0.90 0.59 -0.54 3.99 2.76 -1.15 0.40 115.15 122.10 2k9s h HIS 29 Ca 0.22 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2k9s h HIS 29 Cb 0.11 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2k9s h HIS 29 CO 0.01 0.32 0.00 1.33 -1.30 0.00 0.00 177.93 178.29 2k9s n VAL 30 N -4.47 1.92 -3.82 5.26 0.24 -0.82 -4.92 118.33 111.73 2k9s n VAL 30 Ca 0.08 -1.10 -0.30 0.00 -2.04 0.00 0.00 64.34 60.99 2k9s n VAL 30 Cb 0.22 -0.10 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 -7.09 1.86 0.56 0.00 0.20 0.05 -5.01 118.68 109.25 2k9s s LEU 32 Ca 0.61 -1.11 -0.08 0.00 0.69 0.00 0.00 54.13 54.25 2k9s s LEU 32 Cb -0.32 0.38 -0.04 0.00 -0.43 0.00 0.00 46.19 45.79 2k9s s LEU 32 CO 0.76 -0.71 0.91 -0.44 -0.29 0.00 0.00 176.35 176.58 2k9s s SER 33 N -3.00 6.20 0.21 3.68 0.01 -1.26 -3.25 113.70 116.29 2k9s s SER 33 Ca 0.19 1.16 -0.02 0.00 1.31 0.00 0.00 55.95 58.58 2k9s s SER 33 Cb 0.07 -2.33 0.18 0.00 0.21 0.00 0.00 66.02 64.16 2k9s s SER 33 CO -0.02 -0.75 1.57 1.55 0.41 0.00 0.00 173.24 176.00 2k9s h PRO 34 N -0.07 0.59 -0.18 12.44 0.13 -1.90 0.49 132.00 143.50 2k9s h PRO 34 Ca -0.45 -0.31 -0.04 0.00 -0.87 0.00 0.00 66.00 64.33 2k9s h PRO 34 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2k9s h PRO 34 CO 0.62 0.90 -0.03 1.03 -0.23 0.00 0.00 178.00 180.29 2k9s h SER 35 N 0.48 0.34 -0.11 1.44 0.87 -1.99 -0.29 113.55 114.29 2k9s h SER 35 Ca 0.04 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 2k9s h SER 35 Cb 0.94 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2k9s h SER 35 CO 0.08 0.61 -0.34 0.03 -0.53 0.00 0.00 176.83 176.68 2k9s h ARG 36 N 0.06 0.44 -0.58 2.24 3.08 -1.96 -2.92 114.38 114.74 2k9s h ARG 36 Ca 0.05 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.79 2k9s h ARG 36 Cb 0.46 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2k9s h ARG 36 CO 0.02 0.94 0.38 1.25 -1.07 0.00 0.00 179.97 181.49 2k9s h LEU 37 N 0.02 0.66 -1.27 3.04 5.85 -0.93 -2.19 115.31 120.48 2k9s h LEU 37 Ca -0.01 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k9s h LEU 37 Cb 0.97 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2k9s h LEU 37 CO 0.07 0.48 0.50 -1.28 -0.34 0.00 0.00 178.44 177.87 2k9s h SER 38 N 0.78 0.84 0.02 1.25 0.87 -1.09 0.24 113.55 116.46 2k9s h SER 38 Ca 0.22 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2k9s h SER 38 Cb -0.08 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 2k9s h SER 38 CO -0.05 0.60 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.10 2k9s h HIS 39 N 0.99 -0.04 -0.05 2.24 -0.00 -1.20 -1.94 115.15 115.16 2k9s h HIS 39 Ca 0.28 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.50 2k9s h HIS 39 Cb -0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2k9s h HIS 39 CO -0.00 -0.02 -0.63 -0.07 -0.00 0.00 0.00 177.93 177.21 2k9s h LEU 40 N -0.03 0.23 -0.23 0.26 3.38 -1.18 -2.98 115.31 114.76 2k9s h LEU 40 Ca 0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k9s h LEU 40 Cb 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2k9s h LEU 40 CO -0.00 0.80 0.06 0.15 0.09 0.00 0.00 178.44 179.53 2k9s h PHE 41 N 0.14 0.10 0.00 1.13 3.57 -0.24 0.33 116.94 121.97 2k9s h PHE 41 Ca -0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2k9s h PHE 41 Cb 1.14 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2k9s h PHE 41 CO 0.02 0.04 -0.22 -0.09 -2.23 0.00 0.00 178.31 175.82 2k9s h ARG 42 N 0.15 0.00 0.15 1.11 1.12 -1.37 0.48 114.38 116.03 2k9s h ARG 42 Ca 0.10 0.00 -0.30 0.00 -1.11 0.00 0.00 59.98 58.68 2k9s h ARG 42 Cb 0.09 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 30.08 2k9s h ARG 42 CO -0.13 0.22 -1.26 0.37 -3.11 0.00 0.00 179.97 176.07 2k9s h GLN 43 N 0.00 0.58 0.23 0.20 -0.00 -1.12 0.48 115.11 115.48 2k9s h GLN 43 Ca -0.00 -0.83 -0.34 0.00 -0.00 0.00 0.00 58.65 57.47 2k9s h GLN 43 Cb 0.59 0.29 0.03 0.00 0.00 0.00 0.00 27.48 28.39 2k9s h GLN 43 CO 0.03 1.38 -1.57 1.96 0.00 0.00 0.00 178.83 180.63 2k9s h GLN 44 N 0.19 0.48 0.00 1.69 1.08 -0.23 -3.32 115.11 115.00 2k9s h GLN 44 Ca -0.20 -0.81 0.00 0.00 -1.45 0.00 0.00 58.65 56.18 2k9s h GLN 44 Cb 1.95 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 29.68 2k9s h GLN 44 CO 0.24 1.39 -0.74 1.25 -0.95 0.00 0.00 178.83 180.01 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 6.46 -0.16 -3.39 115.31 119.81 2k9s h LEU 45 Ca -0.28 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 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 0.24 0.04 0.00 0.61 -0.62 0.00 0.00 178.44 178.71 2k9s n GLY 46 N 1.24 0.34 3.45 3.75 0.00 0.17 -4.94 105.19 109.21 2k9s n GLY 46 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.88 0.00 0.29 -0.61 -4.36 -1.15 -4.95 121.20 108.53 2k9s s ILE 47 Ca 0.00 -1.64 -0.29 0.00 -0.26 0.00 0.00 60.65 58.46 2k9s s ILE 47 Cb 0.00 -2.48 -0.09 0.00 1.25 0.00 0.00 42.46 41.14 2k9s s ILE 47 CO 0.00 0.00 1.05 -0.94 0.24 0.00 0.00 174.94 175.29 2k9s s SER 48 N -3.17 7.30 0.25 4.36 1.04 -1.26 -3.73 113.70 118.49 2k9s s SER 48 Ca 0.30 2.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.85 2k9s s SER 48 Cb 0.01 -2.62 0.46 0.00 0.10 0.00 0.00 66.02 63.97 2k9s s SER 48 CO 0.16 -0.11 1.76 1.62 0.98 0.00 0.00 173.24 177.65 2k9s h VAL 49 N 2.99 0.75 -0.20 5.02 3.04 -1.91 0.12 116.25 126.05 2k9s h VAL 49 Ca -0.46 -0.20 -0.04 0.00 -1.01 0.00 0.00 66.70 64.98 2k9s h VAL 49 Cb 1.21 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 2k9s h VAL 49 CO 0.67 0.11 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.19 2k9s h LEU 50 N 0.58 0.29 -0.11 3.16 3.38 -2.01 -2.56 115.31 118.04 2k9s h LEU 50 Ca 0.42 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.20 2k9s h LEU 50 Cb 0.56 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.24 2k9s h LEU 50 CO -0.34 0.41 -0.47 -1.28 0.09 0.00 0.00 178.44 176.84 2k9s h SER 51 N 0.30 0.61 -0.96 -0.43 0.87 -1.23 -3.17 113.55 109.54 2k9s h SER 51 Ca 0.07 -0.63 0.07 0.00 -1.23 0.00 0.00 61.79 60.07 2k9s h SER 51 Cb 0.32 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.04 2k9s h SER 51 CO 0.01 1.13 0.62 -0.25 -0.53 0.00 0.00 176.83 177.81 2k9s h TRP 52 N 0.12 1.14 -0.36 2.24 7.01 -0.78 -0.73 115.95 124.59 2k9s h TRP 52 Ca -0.03 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.03 2k9s h TRP 52 Cb 1.11 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 2k9s h TRP 52 CO 0.11 0.58 0.18 -0.09 -2.79 0.00 0.00 178.44 176.43 2k9s h ARG 53 N 1.11 0.36 -0.50 2.65 2.43 -1.48 0.12 114.38 119.07 2k9s h ARG 53 Ca 0.42 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.48 2k9s h ARG 53 Cb 0.19 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2k9s h ARG 53 CO -0.18 0.24 -0.07 1.49 -1.51 0.00 0.00 179.97 179.94 2k9s h GLU 54 N 0.37 0.89 -0.41 0.20 4.81 -1.37 -2.26 114.58 116.80 2k9s h GLU 54 Ca 0.15 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 2k9s h GLU 54 Cb 0.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2k9s h GLU 54 CO -0.10 0.93 -0.13 0.22 -0.73 0.00 0.00 179.01 179.19 2k9s h ASP 55 N 0.80 0.75 -0.29 1.04 3.58 -0.65 0.10 116.42 121.75 2k9s h ASP 55 Ca 0.14 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2k9s h ASP 55 Cb 0.58 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2k9s h ASP 55 CO 0.04 0.89 -0.02 1.56 -2.88 0.00 0.00 179.24 178.83 2k9s h GLN 56 N 0.68 0.53 -0.24 0.28 1.08 -0.55 0.19 115.11 117.08 2k9s h GLN 56 Ca 0.11 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 2k9s h GLN 56 Cb 0.61 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2k9s h GLN 56 CO 0.04 0.70 -0.39 0.07 -0.95 0.00 0.00 178.83 178.30 2k9s h ARG 57 N 0.32 0.69 -0.53 1.46 0.11 -1.31 -1.24 114.38 113.86 2k9s h ARG 57 Ca 0.08 -0.42 -0.10 0.00 0.10 0.00 0.00 59.98 59.63 2k9s h ARG 57 Cb 0.47 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 2k9s h ARG 57 CO 0.02 1.04 -0.08 0.82 0.10 0.00 0.00 179.97 181.87 2k9s h ILE 58 N 0.40 1.27 -0.12 0.08 1.08 -0.78 -1.30 117.51 118.13 2k9s h ILE 58 Ca 0.02 -1.22 -0.13 0.00 -0.39 0.00 0.00 64.86 63.14 2k9s h ILE 58 Cb 0.99 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 2k9s h ILE 58 CO 0.09 0.43 -0.49 -1.28 -0.69 0.00 0.00 178.15 176.21 2k9s h SER 59 N 0.87 0.35 -0.21 1.72 0.87 -0.63 -2.60 113.55 113.92 2k9s h SER 59 Ca 0.14 -0.17 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 2k9s h SER 59 Cb 0.63 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2k9s h SER 59 CO 0.04 0.79 -0.57 -0.61 -0.53 0.00 0.00 176.83 175.95 2k9s h GLN 60 N 0.26 0.81 -0.24 2.24 5.75 -1.05 -0.32 115.11 122.56 2k9s h GLN 60 Ca 0.01 -0.53 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 2k9s h GLN 60 Cb 0.96 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 2k9s h GLN 60 CO 0.08 1.15 0.07 0.00 -2.65 0.00 0.00 178.83 177.48 2k9s h ALA 61 N 0.73 0.31 -0.09 3.38 0.00 -1.16 0.26 119.26 122.70 2k9s h ALA 61 Ca 0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2k9s h ALA 61 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k9s h ALA 61 CO 0.12 -0.06 -0.59 1.57 0.00 0.00 0.00 179.25 180.30 2k9s h LYS 62 N 0.21 0.28 0.00 0.00 2.10 -1.49 -0.12 116.57 117.55 2k9s h LYS 62 Ca 0.08 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2k9s h LYS 62 Cb 0.24 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2k9s h LYS 62 CO -0.00 0.79 -0.00 1.25 -2.00 0.00 0.00 179.45 179.48 2k9s h LEU 63 N 0.21 -0.00 -0.51 7.07 7.12 -0.89 -2.97 115.31 125.34 2k9s h LEU 63 Ca -0.00 -0.40 -0.15 0.00 0.13 0.00 0.00 57.88 57.46 2k9s h LEU 63 Cb 1.09 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 2k9s h LEU 63 CO 0.09 0.40 -0.43 0.17 -0.13 0.00 0.00 178.44 178.54 2k9s h LEU 64 N -0.40 0.79 -2.02 2.25 8.10 -0.97 -2.91 115.31 120.14 2k9s h LEU 64 Ca -0.00 -0.37 0.13 0.00 0.11 0.00 0.00 57.88 57.75 2k9s h LEU 64 Cb 0.40 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.38 2k9s h LEU 64 CO 0.00 1.11 0.34 -0.07 -4.11 0.00 0.00 178.44 175.71 2k9s h LEU 65 N 0.59 0.00 -0.39 0.17 3.38 -1.02 0.33 115.31 118.36 2k9s h LEU 65 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2k9s h LEU 65 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2k9s h LEU 65 CO 0.09 0.00 -0.77 -1.28 0.09 0.00 0.00 178.44 176.57 2k9s h SER 66 N 0.00 0.38 -0.55 -0.43 0.87 -1.34 -3.09 113.55 109.38 2k9s h SER 66 Ca 0.21 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2k9s h SER 66 Cb 0.90 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2k9s h SER 66 CO -0.00 1.01 0.00 1.07 -0.53 0.00 0.00 176.83 178.38 2k9s n THR 67 N -3.78 0.73 -4.25 2.23 5.66 0.29 -4.94 114.28 110.22 2k9s n THR 67 Ca -0.04 -0.83 -0.14 0.00 -3.05 0.00 0.00 64.05 59.99 2k9s n THR 67 Cb 0.73 0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 70.08 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 -1.27 0.93 -0.10 1.09 -4.23 0.89 -5.05 115.64 107.90 2k9s s THR 68 Ca 0.43 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2k9s s THR 68 Cb 0.23 -1.97 0.21 0.00 1.34 0.00 0.00 72.50 72.32 2k9s s THR 68 CO 0.32 -0.63 1.10 -2.11 -0.54 0.00 0.00 174.62 172.76 2k9s n ARG 69 N -0.22 1.37 -1.76 3.99 0.00 -1.26 -4.74 116.66 114.03 2k9s n ARG 69 Ca -0.09 -2.23 -0.33 0.00 -0.00 0.00 0.00 57.85 55.21 2k9s n ARG 69 Cb 0.62 -1.31 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 -2.26 2.84 0.61 2.89 -1.94 -1.26 -5.01 119.30 115.17 2k9s s MET 70 Ca 0.24 1.34 -0.17 0.00 -1.71 0.00 0.00 55.69 55.39 2k9s s MET 70 Cb 0.21 -1.96 -0.02 0.00 2.01 0.00 0.00 34.83 35.06 2k9s s MET 70 CO 0.02 -1.21 1.12 -1.25 -0.01 0.00 0.00 175.02 173.69 2k9s s PRO 71 N -4.16 3.02 0.51 2.03 0.04 -1.26 -4.78 135.00 130.41 2k9s s PRO 71 Ca 0.66 1.48 0.27 0.00 0.04 0.00 0.00 61.00 63.45 2k9s s PRO 71 Cb -0.20 -1.97 1.38 0.00 0.04 0.00 0.00 34.50 33.76 2k9s s PRO 71 CO 0.42 -1.09 1.92 0.82 0.04 0.00 0.00 177.00 179.11 2k9s h ILE 72 N 0.49 0.64 -0.17 0.56 2.04 -1.98 -0.19 117.51 118.90 2k9s h ILE 72 Ca -0.48 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2k9s h ILE 72 Cb 1.25 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2k9s h ILE 72 CO 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 178.15 178.71 2k9s h ALA 73 N 1.62 0.23 -0.26 1.87 0.00 -1.91 -2.11 119.26 118.70 2k9s h ALA 73 Ca 0.37 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2k9s h ALA 73 Cb 1.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2k9s h ALA 73 CO -0.03 -0.05 -0.07 1.15 0.00 0.00 0.00 179.25 180.24 2k9s h THR 74 N 0.04 1.29 -0.96 0.00 2.02 -1.46 -3.07 112.91 110.77 2k9s h THR 74 Ca 0.05 -1.10 0.09 0.00 0.77 0.00 0.00 66.41 66.21 2k9s h THR 74 Cb 0.40 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 2k9s h THR 74 CO 0.01 0.34 0.61 0.58 0.37 0.00 0.00 175.52 177.43 2k9s h VAL 75 N 0.25 1.01 -0.75 3.16 2.07 -1.16 -1.99 116.25 118.83 2k9s h VAL 75 Ca 0.06 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2k9s h VAL 75 Cb 0.55 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 2k9s h VAL 75 CO 0.03 0.19 0.46 1.23 0.02 0.00 0.00 177.57 179.49 2k9s h GLY 76 N 1.05 1.11 1.19 2.17 0.00 -1.28 -1.55 103.07 105.76 2k9s h GLY 76 Ca 0.44 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.51 2k9s h GLY 76 CO -0.21 0.24 0.38 3.21 0.00 0.00 0.00 176.54 180.15 2k9s h ARG 77 N 0.85 0.48 -0.16 4.80 3.08 -0.65 0.46 114.38 123.24 2k9s h ARG 77 Ca 0.32 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 2k9s h ARG 77 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2k9s h ARG 77 CO -0.16 0.31 0.04 -0.91 -1.07 0.00 0.00 179.97 178.18 2k9s h ASN 78 N 0.49 0.20 -0.61 7.04 2.35 -1.20 -0.98 115.58 122.86 2k9s h ASN 78 Ca 0.25 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2k9s h ASN 78 Cb 0.35 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2k9s h ASN 78 CO -0.07 0.21 0.00 1.33 -1.65 0.00 0.00 177.43 177.25 2k9s n VAL 79 N -4.44 2.39 -0.92 2.81 0.24 -0.15 -4.80 118.33 113.46 2k9s n VAL 79 Ca -0.01 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 2k9s n VAL 79 Cb 0.13 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 0.83 0.69 3.63 7.63 0.00 -0.37 -4.73 105.19 112.87 2k9s n GLY 80 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.97 3.19 -0.01 1.61 0.40 0.15 -4.90 117.98 115.44 2k9s s PHE 81 Ca 0.00 1.09 0.08 0.00 -0.60 0.00 0.00 56.93 57.50 2k9s s PHE 81 Cb 0.00 -3.47 -0.23 0.00 0.51 0.00 0.00 43.02 39.83 2k9s s PHE 81 CO 0.00 -0.66 0.80 0.22 0.70 0.00 0.00 175.22 176.28 2k9s h ASP 82 N 8.02 0.09 -3.61 1.36 1.82 -1.94 -2.14 116.42 120.03 2k9s h ASP 82 Ca -0.22 -0.15 -0.62 0.00 -0.39 0.00 0.00 57.03 55.65 2k9s h ASP 82 Cb 1.07 -0.03 -0.13 0.00 0.68 0.00 0.00 39.33 40.92 2k9s h ASP 82 CO 0.97 1.13 -0.04 -1.81 -1.61 0.00 0.00 179.24 177.88 2k9s s ASP 83 N -6.42 6.39 0.21 2.28 1.11 -1.26 -4.95 116.67 114.04 2k9s s ASP 83 Ca -0.05 0.40 -0.09 0.00 0.18 0.00 0.00 52.55 52.99 2k9s s ASP 83 Cb 0.08 -2.27 0.15 0.00 1.07 0.00 0.00 42.92 41.95 2k9s s ASP 83 CO 0.82 -0.31 1.79 0.06 1.18 0.00 0.00 175.17 178.72 2k9s h GLN 84 N 8.12 1.11 -0.17 8.23 3.07 -1.88 -2.47 115.11 131.12 2k9s h GLN 84 Ca -0.29 -0.17 -0.12 0.00 0.09 0.00 0.00 58.65 58.17 2k9s h GLN 84 Cb 1.14 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.49 2k9s h GLN 84 CO 0.72 0.87 -0.40 -0.07 0.09 0.00 0.00 178.83 180.04 2k9s h LEU 85 N 1.08 0.40 -0.90 0.06 3.38 -1.95 -2.88 115.31 114.50 2k9s h LEU 85 Ca 0.26 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k9s h LEU 85 Cb 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2k9s h LEU 85 CO -0.03 0.76 0.54 0.22 0.09 0.00 0.00 178.44 180.02 2k9s h TYR 86 N 0.32 1.18 -0.11 1.13 3.20 -1.86 0.25 116.97 121.08 2k9s h TYR 86 Ca 0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2k9s h TYR 86 Cb 0.84 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2k9s h TYR 86 CO 0.02 0.79 -0.01 0.35 -1.64 0.00 0.00 178.16 177.67 2k9s h PHE 87 N 1.24 0.22 -0.48 -3.82 3.57 -1.35 -1.86 116.94 114.45 2k9s h PHE 87 Ca 0.32 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2k9s h PHE 87 Cb -0.05 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2k9s h PHE 87 CO 0.00 0.47 -0.02 1.03 -2.23 0.00 0.00 178.31 177.56 2k9s h SER 88 N -0.09 0.78 0.13 0.41 0.87 -1.30 0.30 113.55 114.64 2k9s h SER 88 Ca 0.03 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2k9s h SER 88 Cb 0.39 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2k9s h SER 88 CO 0.01 0.86 -0.06 0.03 -0.53 0.00 0.00 176.83 177.14 2k9s h ARG 89 N 0.75 -0.16 -0.15 2.24 2.47 -0.44 0.26 114.38 119.35 2k9s h ARG 89 Ca 0.14 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 2k9s h ARG 89 Cb 0.48 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2k9s h ARG 89 CO 0.02 -0.00 -0.23 0.28 0.56 0.00 0.00 179.97 180.61 2k9s h VAL 90 N -0.29 1.36 -0.51 2.04 2.07 -1.26 -3.15 116.25 116.51 2k9s h VAL 90 Ca -0.02 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 2k9s h VAL 90 Cb 0.24 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2k9s h VAL 90 CO 0.03 0.43 0.26 0.15 0.02 0.00 0.00 177.57 178.46 2k9s h PHE 91 N 0.02 0.68 -0.22 1.57 3.57 -0.40 0.54 116.94 122.70 2k9s h PHE 91 Ca 0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2k9s h PHE 91 Cb 0.80 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2k9s h PHE 91 CO 0.09 0.49 0.01 -0.22 -2.23 0.00 0.00 178.31 176.46 2k9s h LYS 92 N 0.71 0.09 0.00 1.11 3.64 -0.44 -2.05 116.57 119.63 2k9s h LYS 92 Ca 0.18 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2k9s h LYS 92 Cb 0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2k9s h LYS 92 CO -0.03 0.06 -0.50 0.87 -2.27 0.00 0.00 179.45 177.58 2k9s h LYS 93 N 0.09 0.00 -0.05 1.90 1.57 -1.45 0.69 116.57 119.31 2k9s h LYS 93 Ca 0.10 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2k9s h LYS 93 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2k9s h LYS 93 CO -0.17 0.50 -0.01 0.00 -0.57 0.00 0.00 179.45 179.20 2k9s n THR 95 N -5.12 0.00 -0.03 0.00 5.66 -0.84 -4.98 114.28 108.97 2k9s n THR 95 Ca -0.06 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2k9s n THR 95 Cb 0.06 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 2k9s n THR 95 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k9s n GLY 96 N 1.42 0.62 3.07 1.09 0.00 0.22 -5.04 105.19 106.57 2k9s n GLY 96 Ca 0.02 0.00 -0.10 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 0.52 0.94 4.61 0.00 0.01 -4.83 121.76 120.76 2k9s s ALA 97 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 2k9s s ALA 97 Cb 0.00 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.41 2k9s s ALA 97 CO 0.00 -0.16 1.09 -1.12 0.00 0.00 0.00 175.76 175.57 2k9s s SER 98 N -2.08 3.11 0.20 0.00 0.01 -1.26 -3.96 113.70 109.72 2k9s s SER 98 Ca -0.04 1.42 -0.04 0.00 1.31 0.00 0.00 55.95 58.60 2k9s s SER 98 Cb -0.04 -2.09 0.15 0.00 0.21 0.00 0.00 66.02 64.25 2k9s s SER 98 CO -0.03 -2.85 1.56 1.55 0.41 0.00 0.00 173.24 173.87 2k9s h PRO 99 N -1.70 0.64 -0.13 12.44 0.13 -1.91 -2.94 132.00 138.54 2k9s h PRO 99 Ca -0.51 -0.34 -0.10 0.00 -0.87 0.00 0.00 66.00 64.17 2k9s h PRO 99 Cb 1.30 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2k9s h PRO 99 CO 0.55 0.94 -0.38 0.77 -0.23 0.00 0.00 178.00 179.65 2k9s h SER 100 N 0.52 0.28 -0.10 1.44 0.02 -1.99 -2.72 113.55 111.01 2k9s h SER 100 Ca 0.04 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2k9s h SER 100 Cb 0.95 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2k9s h SER 100 CO 0.09 0.65 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.08 2k9s h GLU 101 N 0.23 0.19 -0.43 3.45 4.39 -1.91 0.20 114.58 120.70 2k9s h GLU 101 Ca 0.02 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2k9s h GLU 101 Cb 0.79 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 2k9s h GLU 101 CO 0.06 0.47 0.22 0.35 -1.16 0.00 0.00 179.01 178.96 2k9s h PHE 102 N -0.11 0.41 -0.01 4.33 3.04 -1.47 -2.02 116.94 121.10 2k9s h PHE 102 Ca 0.03 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 2k9s h PHE 102 Cb 0.40 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 2k9s h PHE 102 CO 0.04 0.22 -0.60 0.00 -2.02 0.00 0.00 178.31 175.95 2k9s h ARG 103 N 0.45 0.05 0.00 1.11 2.47 -1.46 -2.93 114.38 114.07 2k9s h ARG 103 Ca 0.18 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2k9s h ARG 103 Cb 0.08 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2k9s h ARG 103 CO -0.12 0.63 -0.08 0.00 0.56 0.00 0.00 179.97 180.97 2k9s h ALA 104 N 1.36 1.59 0.00 0.04 0.00 0.12 -3.46 119.26 118.91 2k9s h ALA 104 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k9s h ALA 104 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k9s h ALA 104 CO 0.08 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2k9s n GLY 105 N -1.12 0.54 3.69 0.00 0.00 -0.96 -5.02 105.19 102.32 2k9s n GLY 105 Ca -0.03 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32