#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 7.23 0.25 6.12 2.15 -1.26 -4.96 116.67 126.20 2k9s s ASP 2 Ca 0.00 1.89 -0.06 0.00 0.43 0.00 0.00 52.55 54.81 2k9s s ASP 2 Cb 0.00 -2.58 0.27 0.00 -0.30 0.00 0.00 42.92 40.31 2k9s s ASP 2 CO 0.00 -0.15 1.93 0.78 -0.17 0.00 0.00 175.17 177.56 2k9s h ASN 3 N 3.05 1.14 -0.28 -0.34 4.21 -2.04 -2.19 115.58 119.13 2k9s h ASN 3 Ca -0.47 -0.03 -0.02 0.00 1.21 0.00 0.00 56.30 56.98 2k9s h ASN 3 Cb 1.20 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 38.10 2k9s h ASN 3 CO 0.64 0.83 0.08 0.03 -1.29 0.00 0.00 177.43 177.73 2k9s h ARG 4 N 1.34 0.45 -0.91 0.81 -0.00 -1.92 -2.85 114.38 111.29 2k9s h ARG 4 Ca 0.36 -0.10 0.06 0.00 -0.50 0.00 0.00 59.98 59.80 2k9s h ARG 4 Cb -0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 29.97 29.70 2k9s h ARG 4 CO -0.08 0.51 0.59 0.28 0.00 0.00 0.00 179.97 181.28 2k9s h VAL 5 N 0.30 1.07 -0.58 2.04 2.07 -1.87 -2.03 116.25 117.26 2k9s h VAL 5 Ca 0.09 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.33 2k9s h VAL 5 Cb 0.26 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 2k9s h VAL 5 CO -0.00 0.19 0.25 -0.09 0.02 0.00 0.00 177.57 177.94 2k9s h ARG 6 N 1.04 0.45 -0.37 1.57 9.65 -1.17 -1.21 114.38 124.34 2k9s h ARG 6 Ca 0.39 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.18 2k9s h ARG 6 Cb 0.19 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2k9s h ARG 6 CO -0.15 0.30 -0.03 0.93 2.80 0.00 0.00 179.97 183.82 2k9s h GLU 7 N 0.47 0.60 -0.68 0.20 4.39 -1.31 -2.60 114.58 115.63 2k9s h GLU 7 Ca 0.27 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2k9s h GLU 7 Cb 0.27 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2k9s h GLU 7 CO -0.24 0.64 0.45 0.00 -1.16 0.00 0.00 179.01 178.71 2k9s h ALA 8 N 1.41 1.63 -0.42 3.43 0.00 -0.84 -1.34 119.26 123.14 2k9s h ALA 8 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k9s h ALA 8 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k9s h ALA 8 CO 0.02 0.29 0.26 0.00 0.00 0.00 0.00 179.25 179.83 2k9s h GLN 10 N 0.57 0.36 -0.11 0.00 1.08 -1.30 0.23 115.11 115.94 2k9s h GLN 10 Ca 0.15 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 2k9s h GLN 10 Cb -0.04 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2k9s h GLN 10 CO -0.03 0.37 -0.10 -0.92 -0.95 0.00 0.00 178.83 177.21 2k9s h TYR 11 N 0.26 0.31 -0.73 2.96 3.20 -1.41 -2.08 116.97 119.49 2k9s h TYR 11 Ca 0.08 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2k9s h TYR 11 Cb 0.14 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2k9s h TYR 11 CO -0.02 0.66 0.40 0.82 -1.64 0.00 0.00 178.16 178.38 2k9s h ILE 12 N -0.13 1.21 -0.31 1.81 2.04 -1.04 0.09 117.51 121.18 2k9s h ILE 12 Ca 0.02 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 2k9s h ILE 12 Cb 0.60 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2k9s h ILE 12 CO 0.02 0.24 -0.03 0.28 0.00 0.00 0.00 178.15 178.66 2k9s h SER 13 N 1.01 0.56 -0.49 1.72 0.02 -0.51 0.11 113.55 115.97 2k9s h SER 13 Ca 0.26 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2k9s h SER 13 Cb 0.02 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2k9s h SER 13 CO -0.04 0.76 -0.07 0.44 -1.14 0.00 0.00 176.83 176.78 2k9s h ASP 14 N 0.35 0.95 -0.45 3.07 3.32 -1.04 -2.56 116.42 120.05 2k9s h ASP 14 Ca 0.08 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2k9s h ASP 14 Cb 0.50 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2k9s h ASP 14 CO 0.02 1.04 0.00 1.41 -1.72 0.00 0.00 179.24 179.99 2k9s n HIS 15 N -4.16 1.40 0.28 4.55 8.25 -0.01 -4.31 115.22 121.20 2k9s n HIS 15 Ca 0.02 -0.51 0.13 0.00 -0.26 0.00 0.00 57.72 57.10 2k9s n HIS 15 Cb 0.37 -0.33 0.79 0.00 1.12 0.00 0.00 29.99 31.94 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 3.03 0.00 0.00 2.41 5.85 -0.34 -1.50 115.31 124.76 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 1.43 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2k9s h LEU 16 CO 0.30 0.07 -1.20 0.00 -0.34 0.00 0.00 178.44 177.26 2k9s n ALA 17 N -2.32 2.45 -1.79 1.25 0.00 -1.26 -4.73 120.51 114.11 2k9s n ALA 17 Ca -0.02 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 2k9s n ALA 17 Cb 0.16 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2k9s n ALA 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k9s s ASP 18 N -5.33 6.49 -0.13 0.00 -1.08 -0.57 -4.80 116.67 111.24 2k9s s ASP 18 Ca -0.02 2.90 -0.25 0.00 -0.52 0.00 0.00 52.55 54.67 2k9s s ASP 18 Cb 0.10 -2.65 -0.22 0.00 -1.46 0.00 0.00 42.92 38.69 2k9s s ASP 18 CO 0.81 -0.78 0.67 0.28 0.52 0.00 0.00 175.17 176.67 2k9s h SER 19 N 3.63 -0.00 -3.32 -0.34 0.02 -1.91 -3.43 113.55 108.19 2k9s h SER 19 Ca -0.49 -0.83 -0.56 0.00 -0.84 0.00 0.00 61.79 59.07 2k9s h SER 19 Cb 1.23 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 2k9s h SER 19 CO 0.68 0.91 0.99 0.20 -1.14 0.00 0.00 176.83 178.47 2k9s s ASN 20 N -6.10 6.45 -0.16 3.07 -0.87 -1.26 -5.00 114.94 111.07 2k9s s ASN 20 Ca -0.16 0.33 -0.00 0.00 -1.57 0.00 0.00 52.86 51.45 2k9s s ASN 20 Cb -0.02 -2.55 -0.01 0.00 -0.02 0.00 0.00 41.25 38.65 2k9s s ASN 20 CO 0.59 -1.44 -0.13 0.12 -2.57 0.00 0.00 177.10 173.67 2k9s s PHE 21 N 5.02 2.82 -0.26 2.20 5.36 -1.26 -5.10 117.98 126.75 2k9s s PHE 21 Ca 0.48 -0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 55.55 2k9s s PHE 21 Cb -0.08 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.73 2k9s s PHE 21 CO 0.28 -0.40 -0.06 0.34 -1.46 0.00 0.00 175.22 173.93 2k9s s ASP 22 N 0.75 4.45 0.55 6.13 2.15 -1.26 -4.98 116.67 124.46 2k9s s ASP 22 Ca -0.06 -1.06 0.26 0.00 0.43 0.00 0.00 52.55 52.12 2k9s s ASP 22 Cb -0.15 -1.65 1.45 0.00 -0.30 0.00 0.00 42.92 42.27 2k9s s ASP 22 CO 0.01 -0.17 2.01 -0.29 -0.17 0.00 0.00 175.17 176.56 2k9s h ILE 23 N 6.32 0.65 -0.75 4.11 6.09 -2.01 -0.74 117.51 131.18 2k9s h ILE 23 Ca -0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 2k9s h ILE 23 Cb 1.08 0.75 -0.04 0.00 0.47 0.00 0.00 36.82 39.09 2k9s h ILE 23 CO 0.55 0.00 0.48 0.00 -3.07 0.00 0.00 178.15 176.11 2k9s h ALA 24 N 1.72 0.95 0.00 0.18 0.00 -1.99 -1.79 119.26 118.34 2k9s h ALA 24 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2k9s h ALA 24 Cb 0.88 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k9s h ALA 24 CO -0.00 0.39 -0.15 0.77 0.00 0.00 0.00 179.25 180.27 2k9s h SER 25 N 1.02 0.00 -0.29 0.00 0.02 -1.56 -2.20 113.55 110.54 2k9s h SER 25 Ca 0.27 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.06 2k9s h SER 25 Cb -0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2k9s h SER 25 CO -0.06 0.15 -0.45 0.58 -1.14 0.00 0.00 176.83 175.91 2k9s h VAL 26 N 0.00 1.28 -0.04 2.27 2.07 -1.32 -1.78 116.25 118.72 2k9s h VAL 26 Ca -0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2k9s h VAL 26 Cb 0.26 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k9s h VAL 26 CO 0.02 0.54 -0.01 0.00 0.02 0.00 0.00 177.57 178.14 2k9s h ALA 27 N 0.80 0.06 -0.61 1.67 0.00 -1.03 -3.02 119.26 117.13 2k9s h ALA 27 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k9s h ALA 27 Cb 1.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2k9s h ALA 27 CO 0.10 -0.24 0.28 -0.56 0.00 0.00 0.00 179.25 178.83 2k9s h GLN 28 N -0.26 0.86 -0.58 0.00 3.07 -1.38 0.14 115.11 116.97 2k9s h GLN 28 Ca 0.01 -0.12 0.06 0.00 0.09 0.00 0.00 58.65 58.70 2k9s h GLN 28 Cb 0.39 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 2k9s h GLN 28 CO 0.00 0.68 0.39 1.25 0.09 0.00 0.00 178.83 181.24 2k9s h HIS 29 N 0.86 0.55 -0.61 0.06 2.76 -1.25 0.25 115.15 117.77 2k9s h HIS 29 Ca 0.21 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2k9s h HIS 29 Cb 0.11 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.89 2k9s h HIS 29 CO 0.01 0.29 0.00 1.33 -1.30 0.00 0.00 177.93 178.26 2k9s n VAL 30 N -4.47 2.44 -3.45 5.26 0.24 -0.80 -4.92 118.33 112.62 2k9s n VAL 30 Ca 0.08 -1.32 -0.25 0.00 -2.04 0.00 0.00 64.34 60.81 2k9s n VAL 30 Cb 0.24 -0.14 0.01 0.00 -1.47 0.00 0.00 33.84 32.48 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 -6.69 2.07 0.62 0.00 2.01 0.44 -5.00 118.68 112.14 2k9s s LEU 32 Ca 0.45 -1.16 -0.11 0.00 0.01 0.00 0.00 54.13 53.32 2k9s s LEU 32 Cb -0.23 0.06 -0.04 0.00 0.01 0.00 0.00 46.19 45.98 2k9s s LEU 32 CO 0.55 -0.61 1.03 -0.94 1.01 0.00 0.00 176.35 177.39 2k9s s SER 33 N -3.11 6.23 0.15 2.29 1.04 -1.26 -3.20 113.70 115.85 2k9s s SER 33 Ca 0.22 1.42 -0.09 0.00 0.48 0.00 0.00 55.95 57.98 2k9s s SER 33 Cb 0.06 -2.47 -0.00 0.00 0.10 0.00 0.00 66.02 63.71 2k9s s SER 33 CO 0.02 -0.87 1.49 1.55 0.98 0.00 0.00 173.24 176.41 2k9s h PRO 34 N -0.31 0.88 -0.31 4.02 0.13 -1.90 0.75 132.00 135.25 2k9s h PRO 34 Ca -0.44 -0.47 -0.08 0.00 -0.87 0.00 0.00 66.00 64.14 2k9s h PRO 34 Cb 1.19 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2k9s h PRO 34 CO 0.62 1.11 -0.11 0.77 -0.23 0.00 0.00 178.00 180.16 2k9s h SER 35 N 0.72 0.64 -0.11 1.44 0.02 -1.98 0.65 113.55 114.93 2k9s h SER 35 Ca 0.06 -0.39 -0.11 0.00 -0.84 0.00 0.00 61.79 60.51 2k9s h SER 35 Cb 0.98 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2k9s h SER 35 CO 0.09 0.88 -0.34 -0.09 -1.14 0.00 0.00 176.83 176.23 2k9s h ARG 36 N 0.40 0.43 -0.45 3.45 1.12 -1.96 -2.69 114.38 114.68 2k9s h ARG 36 Ca 0.07 -0.31 -0.03 0.00 -1.11 0.00 0.00 59.98 58.60 2k9s h ARG 36 Cb 0.62 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.62 2k9s h ARG 36 CO 0.04 0.94 0.17 1.25 -3.11 0.00 0.00 179.97 179.25 2k9s h LEU 37 N 0.00 0.63 -1.15 3.80 5.85 -0.87 -2.71 115.31 120.86 2k9s h LEU 37 Ca -0.01 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.54 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 0.63 0.57 -1.28 -0.34 0.00 0.00 178.44 178.10 2k9s h SER 38 N 0.58 0.99 -0.12 1.25 0.87 -0.92 0.16 113.55 116.36 2k9s h SER 38 Ca 0.15 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2k9s h SER 38 Cb 0.21 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2k9s h SER 38 CO -0.01 0.71 0.07 -0.74 -0.53 0.00 0.00 176.83 176.33 2k9s h HIS 39 N 1.16 0.13 -0.06 2.24 -0.00 -1.17 0.12 115.15 117.57 2k9s h HIS 39 Ca 0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.56 2k9s h HIS 39 Cb -0.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2k9s h HIS 39 CO -0.00 0.08 -0.57 -0.07 -0.00 0.00 0.00 177.93 177.36 2k9s h LEU 40 N 0.14 0.22 0.14 0.26 3.38 -1.19 -0.93 115.31 117.33 2k9s h LEU 40 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k9s h LEU 40 Cb -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k9s h LEU 40 CO -0.02 0.74 -0.07 0.15 0.09 0.00 0.00 178.44 179.33 2k9s h PHE 41 N 0.15 -0.18 0.00 1.13 3.04 -0.32 0.30 116.94 121.06 2k9s h PHE 41 Ca -0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 2k9s h PHE 41 Cb 1.05 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 2k9s h PHE 41 CO 0.02 0.15 -0.35 -0.09 -2.02 0.00 0.00 178.31 176.02 2k9s h ARG 42 N -0.52 0.00 0.12 1.11 2.43 -0.81 0.43 114.38 117.14 2k9s h ARG 42 Ca -0.02 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 2k9s h ARG 42 Cb 0.41 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2k9s h ARG 42 CO 0.03 0.35 -1.08 0.37 -1.51 0.00 0.00 179.97 178.14 2k9s h GLN 43 N 0.00 0.52 0.23 0.20 -0.00 -1.07 0.50 115.11 115.48 2k9s h GLN 43 Ca -0.00 -0.72 -0.33 0.00 -0.00 0.00 0.00 58.65 57.60 2k9s h GLN 43 Cb 0.79 0.24 0.03 0.00 0.00 0.00 0.00 27.48 28.55 2k9s h GLN 43 CO 0.05 1.32 -1.48 1.96 0.00 0.00 0.00 178.83 180.67 2k9s h GLN 44 N 0.07 0.48 0.00 1.69 1.08 -0.33 -3.31 115.11 114.79 2k9s h GLN 44 Ca -0.17 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.21 2k9s h GLN 44 Cb 1.79 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 29.52 2k9s h GLN 44 CO 0.21 1.39 -0.72 -0.07 -0.95 0.00 0.00 178.83 178.68 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 3.38 -0.27 -3.48 115.31 116.54 2k9s h LEU 45 Ca -0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k9s h LEU 45 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 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 1.28 0.18 3.53 0.83 0.00 0.17 -4.93 105.19 106.26 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 -1.39 0.00 0.54 -0.61 -4.36 -1.13 -4.96 121.20 109.29 2k9s s ILE 47 Ca 0.00 -1.50 -0.17 0.00 -0.26 0.00 0.00 60.65 58.72 2k9s s ILE 47 Cb 0.00 -2.31 -0.06 0.00 1.25 0.00 0.00 42.46 41.33 2k9s s ILE 47 CO 0.00 0.00 1.02 -0.44 0.24 0.00 0.00 174.94 175.76 2k9s s SER 48 N -3.07 6.26 0.24 4.36 0.01 -1.26 -3.83 113.70 116.41 2k9s s SER 48 Ca 0.25 1.70 -0.05 0.00 1.31 0.00 0.00 55.95 59.16 2k9s s SER 48 Cb 0.00 -2.52 0.38 0.00 0.21 0.00 0.00 66.02 64.09 2k9s s SER 48 CO 0.11 -0.84 1.78 0.58 0.41 0.00 0.00 173.24 175.28 2k9s h VAL 49 N 0.78 0.83 -0.57 3.43 2.07 -1.95 0.10 116.25 120.95 2k9s h VAL 49 Ca -0.47 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2k9s h VAL 49 Cb 1.20 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2k9s h VAL 49 CO 0.60 0.11 0.28 -0.07 0.02 0.00 0.00 177.57 178.51 2k9s h LEU 50 N 0.62 0.71 -0.10 2.57 4.07 -2.00 -1.33 115.31 119.86 2k9s h LEU 50 Ca 0.38 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.16 2k9s h LEU 50 Cb 0.43 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2k9s h LEU 50 CO -0.29 0.60 -0.37 -1.28 -1.08 0.00 0.00 178.44 176.02 2k9s h SER 51 N 0.79 0.49 -0.93 -0.43 0.87 -1.47 -3.08 113.55 109.80 2k9s h SER 51 Ca 0.20 -0.63 0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2k9s h SER 51 Cb 0.07 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 2k9s h SER 51 CO -0.03 1.03 0.61 -0.25 -0.53 0.00 0.00 176.83 177.66 2k9s h TRP 52 N -0.02 1.14 -0.35 2.24 7.01 -0.61 -2.45 115.95 122.91 2k9s h TRP 52 Ca -0.02 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.03 2k9s h TRP 52 Cb 1.01 -0.38 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 2k9s h TRP 52 CO 0.12 0.68 0.17 -0.09 -2.79 0.00 0.00 178.44 176.53 2k9s h ARG 53 N 1.20 0.35 -0.42 2.65 2.43 -1.27 -2.32 114.38 116.99 2k9s h ARG 53 Ca 0.36 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 2k9s h ARG 53 Cb -0.05 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 2k9s h ARG 53 CO -0.10 0.23 0.19 1.49 -1.51 0.00 0.00 179.97 180.27 2k9s h GLU 54 N 0.36 0.38 -0.88 0.20 4.81 -1.36 -0.03 114.58 118.06 2k9s h GLU 54 Ca 0.15 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 2k9s h GLU 54 Cb 0.06 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 2k9s h GLU 54 CO -0.10 0.25 0.52 0.22 -0.73 0.00 0.00 179.01 179.16 2k9s h ASP 55 N 0.39 0.74 -0.32 1.04 3.58 -1.08 -0.84 116.42 119.93 2k9s h ASP 55 Ca 0.19 0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.54 2k9s h ASP 55 Cb 0.12 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2k9s h ASP 55 CO -0.15 0.41 -0.37 -0.61 -2.88 0.00 0.00 179.24 175.64 2k9s h GLN 56 N 0.85 0.82 -0.38 0.28 5.75 -0.84 -0.43 115.11 121.16 2k9s h GLN 56 Ca 0.43 -0.45 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2k9s h GLN 56 Cb 0.41 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2k9s h GLN 56 CO -0.26 1.09 0.20 0.00 -2.65 0.00 0.00 178.83 177.21 2k9s h ARG 57 N 0.60 0.39 -0.12 1.69 3.08 -0.13 0.24 114.38 120.12 2k9s h ARG 57 Ca 0.05 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2k9s h ARG 57 Cb 0.96 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2k9s h ARG 57 CO 0.09 0.26 -0.25 0.82 -1.07 0.00 0.00 179.97 179.82 2k9s h ILE 58 N 0.40 1.38 -0.91 2.04 1.08 -1.19 -1.43 117.51 118.89 2k9s h ILE 58 Ca 0.16 -1.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.13 2k9s h ILE 58 Cb 0.06 2.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 2k9s h ILE 58 CO -0.11 0.45 0.60 -1.28 -0.69 0.00 0.00 178.15 177.12 2k9s h SER 59 N -0.02 1.01 -0.13 1.72 0.87 -0.89 0.95 113.55 117.06 2k9s h SER 59 Ca 0.00 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2k9s h SER 59 Cb 0.84 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2k9s h SER 59 CO 0.06 0.71 -0.35 -0.61 -0.53 0.00 0.00 176.83 176.10 2k9s h GLN 60 N 1.18 0.46 -0.31 2.24 5.75 -0.52 -1.44 115.11 122.47 2k9s h GLN 60 Ca 0.35 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2k9s h GLN 60 Cb -0.05 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2k9s h GLN 60 CO -0.09 0.94 0.16 0.00 -2.65 0.00 0.00 178.83 177.19 2k9s h ALA 61 N 0.52 0.39 -0.17 3.38 0.00 -0.89 -2.01 119.26 120.48 2k9s h ALA 61 Ca -0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2k9s h ALA 61 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k9s h ALA 61 CO 0.08 -0.07 -0.29 1.57 0.00 0.00 0.00 179.25 180.53 2k9s h LYS 62 N 0.37 0.33 -0.08 0.00 2.10 -0.88 -0.97 116.57 117.43 2k9s h LYS 62 Ca 0.11 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2k9s h LYS 62 Cb 0.07 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2k9s h LYS 62 CO -0.02 0.60 0.04 1.25 -2.00 0.00 0.00 179.45 179.32 2k9s h LEU 63 N 0.29 0.11 -0.33 7.07 6.46 -0.89 0.24 115.31 128.25 2k9s h LEU 63 Ca 0.04 -0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.53 2k9s h LEU 63 Cb 0.67 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2k9s h LEU 63 CO 0.05 0.21 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.66 2k9s h LEU 64 N 0.01 0.88 -1.54 2.25 3.38 -1.29 0.91 115.31 119.92 2k9s h LEU 64 Ca 0.03 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2k9s h LEU 64 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2k9s h LEU 64 CO -0.00 1.18 -0.20 -0.07 0.09 0.00 0.00 178.44 179.44 2k9s h LEU 65 N 0.61 0.00 0.00 1.67 3.38 -1.09 0.61 115.31 120.48 2k9s h LEU 65 Ca 0.05 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2k9s h LEU 65 Cb 0.94 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2k9s h LEU 65 CO 0.09 0.20 -1.53 -1.20 0.09 0.00 0.00 178.44 176.08 2k9s n SER 66 N -3.62 0.84 0.01 -0.43 7.64 0.82 -4.01 113.62 114.88 2k9s n SER 66 Ca -0.01 0.38 0.11 0.00 1.01 0.00 0.00 58.87 60.36 2k9s n SER 66 Cb 0.33 0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.69 2k9s n SER 66 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2k9s n THR 67 N -2.93 0.09 -4.38 0.44 5.66 0.30 -4.96 114.28 108.48 2k9s n THR 67 Ca -0.12 -0.13 -0.20 0.00 -3.05 0.00 0.00 64.05 60.54 2k9s n THR 67 Cb 0.91 0.40 -0.09 0.00 -1.55 0.00 0.00 70.33 70.00 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 -3.11 0.54 -0.20 1.09 -4.23 0.21 -5.04 115.64 104.91 2k9s s THR 68 Ca 0.06 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 2k9s s THR 68 Cb 0.15 -2.54 0.36 0.00 1.34 0.00 0.00 72.50 71.82 2k9s s THR 68 CO 0.79 0.00 1.25 -1.14 -0.54 0.00 0.00 174.62 174.99 2k9s n ARG 69 N -0.64 2.21 -1.28 3.99 0.63 -1.26 -4.59 116.66 115.72 2k9s n ARG 69 Ca -0.01 -2.55 -0.33 0.00 -0.92 0.00 0.00 57.85 54.03 2k9s n ARG 69 Cb 0.65 -1.58 0.11 0.00 0.45 0.00 0.00 32.46 32.09 2k9s n ARG 69 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 2k9s s MET 70 N -2.55 1.92 0.84 -0.14 -1.94 -1.26 -4.99 119.30 111.17 2k9s s MET 70 Ca 0.33 1.69 -0.11 0.00 -1.71 0.00 0.00 55.69 55.89 2k9s s MET 70 Cb 0.27 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 35.39 2k9s s MET 70 CO 0.06 -1.99 1.09 -1.25 -0.01 0.00 0.00 175.02 172.92 2k9s s PRO 71 N -4.11 1.75 0.44 2.03 0.04 -1.26 -4.84 135.00 129.05 2k9s s PRO 71 Ca 0.72 1.00 0.13 0.00 0.04 0.00 0.00 61.00 62.89 2k9s s PRO 71 Cb -0.27 -1.85 0.98 0.00 0.04 0.00 0.00 34.50 33.39 2k9s s PRO 71 CO 0.48 -1.95 2.00 0.82 0.04 0.00 0.00 177.00 178.39 2k9s h ILE 72 N -1.35 1.12 -0.19 0.56 2.04 -1.98 -2.10 117.51 115.62 2k9s h ILE 72 Ca -0.46 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2k9s h ILE 72 Cb 1.26 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2k9s h ILE 72 CO 0.53 0.16 0.04 0.00 0.00 0.00 0.00 178.15 178.88 2k9s h ALA 73 N 1.80 0.26 0.01 1.87 0.00 -1.92 -0.02 119.26 121.25 2k9s h ALA 73 Ca 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k9s h ALA 73 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k9s h ALA 73 CO 0.02 -0.09 -0.00 1.15 0.00 0.00 0.00 179.25 180.32 2k9s h THR 74 N 0.12 1.19 -0.98 0.00 2.02 -1.86 -3.04 112.91 110.36 2k9s h THR 74 Ca 0.06 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.67 2k9s h THR 74 Cb 0.28 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 2k9s h THR 74 CO 0.00 0.15 0.65 0.58 0.37 0.00 0.00 175.52 177.27 2k9s h VAL 75 N -0.27 1.21 -0.55 3.16 2.07 -1.40 -1.85 116.25 118.62 2k9s h VAL 75 Ca -0.00 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.20 2k9s h VAL 75 Cb 0.26 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 2k9s h VAL 75 CO 0.00 0.23 0.38 1.23 0.02 0.00 0.00 177.57 179.44 2k9s h GLY 76 N 1.28 0.34 1.68 2.17 0.00 -0.88 -0.11 103.07 107.55 2k9s h GLY 76 Ca 0.38 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 2k9s h GLY 76 CO -0.10 0.05 -0.28 3.21 0.00 0.00 0.00 176.54 179.41 2k9s h ARG 77 N 0.23 0.37 -0.12 4.80 3.08 -1.07 0.40 114.38 122.06 2k9s h ARG 77 Ca 0.26 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 2k9s h ARG 77 Cb 0.73 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2k9s h ARG 77 CO -0.05 0.62 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.44 2k9s h ASN 78 N 0.32 0.17 -0.41 7.04 2.35 -1.03 -1.28 115.58 122.74 2k9s h ASN 78 Ca 0.05 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2k9s h ASN 78 Cb 0.67 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2k9s h ASN 78 CO 0.05 0.31 0.00 1.33 -1.65 0.00 0.00 177.43 177.47 2k9s n VAL 79 N -4.31 0.55 -0.98 2.81 0.24 -1.01 -4.89 118.33 110.74 2k9s n VAL 79 Ca -0.01 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2k9s n VAL 79 Cb 0.25 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 1.26 0.72 3.57 7.63 0.00 -0.48 -4.66 105.19 113.23 2k9s n GLY 80 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.93 3.21 0.07 1.61 0.08 0.14 -4.94 117.98 115.22 2k9s s PHE 81 Ca 0.00 0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.25 2k9s s PHE 81 Cb 0.00 -2.70 -0.23 0.00 -0.57 0.00 0.00 43.02 39.52 2k9s s PHE 81 CO 0.00 -0.40 1.11 0.22 -0.10 0.00 0.00 175.22 176.05 2k9s h ASP 82 N 8.38 0.11 -3.35 1.36 3.58 -1.93 -2.84 116.42 121.73 2k9s h ASP 82 Ca -0.30 -0.14 -0.60 0.00 0.42 0.00 0.00 57.03 56.42 2k9s h ASP 82 Cb 1.14 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 42.07 2k9s h ASP 82 CO 0.70 1.11 0.46 -1.81 -2.88 0.00 0.00 179.24 176.82 2k9s s ASP 83 N -6.71 6.77 0.31 2.28 1.01 -1.26 -4.93 116.67 114.14 2k9s s ASP 83 Ca -0.02 0.89 0.01 0.00 0.71 0.00 0.00 52.55 54.14 2k9s s ASP 83 Cb 0.09 -2.43 0.50 0.00 1.01 0.00 0.00 42.92 42.09 2k9s s ASP 83 CO 0.83 -0.57 1.89 0.06 0.21 0.00 0.00 175.17 177.59 2k9s h GLN 84 N 7.88 0.79 -0.13 8.23 3.07 -1.88 -2.24 115.11 130.82 2k9s h GLN 84 Ca -0.23 -0.12 -0.11 0.00 0.09 0.00 0.00 58.65 58.27 2k9s h GLN 84 Cb 1.09 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 28.50 2k9s h GLN 84 CO 0.88 0.66 -0.40 -0.07 0.09 0.00 0.00 178.83 179.99 2k9s h LEU 85 N 0.78 0.31 -0.18 0.06 3.38 -1.96 -2.52 115.31 115.18 2k9s h LEU 85 Ca 0.18 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2k9s h LEU 85 Cb 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k9s h LEU 85 CO -0.02 0.68 0.10 0.22 0.09 0.00 0.00 178.44 179.51 2k9s h TYR 86 N 0.25 0.18 -0.54 1.13 5.03 -1.81 0.26 116.97 121.46 2k9s h TYR 86 Ca 0.02 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 2k9s h TYR 86 Cb 0.82 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.02 2k9s h TYR 86 CO 0.02 0.11 -0.05 0.35 -1.32 0.00 0.00 178.16 177.26 2k9s h PHE 87 N 0.21 1.10 -0.51 -3.82 3.57 -1.47 -2.52 116.94 113.49 2k9s h PHE 87 Ca 0.07 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 2k9s h PHE 87 Cb 0.01 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 2k9s h PHE 87 CO -0.09 1.01 -0.01 0.77 -2.23 0.00 0.00 178.31 177.76 2k9s h SER 88 N 0.87 0.85 0.05 0.41 0.02 -1.16 0.26 113.55 114.85 2k9s h SER 88 Ca 0.15 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k9s h SER 88 Cb 0.61 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2k9s h SER 88 CO 0.04 0.91 -0.02 0.03 -1.14 0.00 0.00 176.83 176.65 2k9s h ARG 89 N 0.81 -0.06 -0.14 3.45 2.47 -0.33 0.26 114.38 120.83 2k9s h ARG 89 Ca 0.15 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.81 2k9s h ARG 89 Cb 0.50 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2k9s h ARG 89 CO 0.02 0.09 -0.18 0.28 0.56 0.00 0.00 179.97 180.75 2k9s h VAL 90 N -0.20 1.36 -0.54 2.04 2.07 -1.38 -3.13 116.25 116.47 2k9s h VAL 90 Ca -0.01 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2k9s h VAL 90 Cb 0.18 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2k9s h VAL 90 CO 0.01 0.40 0.28 0.15 0.02 0.00 0.00 177.57 178.43 2k9s h PHE 91 N -0.02 0.73 -0.33 1.57 3.04 -0.47 -0.34 116.94 121.12 2k9s h PHE 91 Ca 0.02 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2k9s h PHE 91 Cb 0.73 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 2k9s h PHE 91 CO 0.09 0.52 0.11 -0.22 -2.02 0.00 0.00 178.31 176.79 2k9s h LYS 92 N 0.75 0.24 0.00 1.11 3.64 -0.44 -1.86 116.57 120.00 2k9s h LYS 92 Ca 0.19 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2k9s h LYS 92 Cb 0.05 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2k9s h LYS 92 CO -0.03 0.16 -0.47 0.87 -2.27 0.00 0.00 179.45 177.71 2k9s h LYS 93 N 0.25 0.00 0.02 1.90 1.57 -1.42 0.74 116.57 119.62 2k9s h LYS 93 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2k9s h LYS 93 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2k9s h LYS 93 CO -0.15 0.47 -0.01 0.00 -0.57 0.00 0.00 179.45 179.18 2k9s n THR 95 N -5.09 0.00 -0.02 0.00 -2.24 -0.82 -4.97 114.28 101.13 2k9s n THR 95 Ca -0.07 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2k9s n THR 95 Cb 0.05 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.43 0.65 2.99 3.38 0.00 0.23 -5.04 105.19 108.84 2k9s n GLY 96 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.32 0.92 4.61 0.00 0.25 -4.82 121.76 120.79 2k9s s ALA 97 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2k9s s ALA 97 Cb 0.00 0.05 0.14 0.00 0.00 0.00 0.00 23.12 23.32 2k9s s ALA 97 CO 0.00 -0.05 1.10 -1.54 0.00 0.00 0.00 175.76 175.28 2k9s s SER 98 N -1.12 3.10 0.32 0.00 1.04 -1.26 -4.04 113.70 111.74 2k9s s SER 98 Ca -0.09 1.85 0.10 0.00 0.48 0.00 0.00 55.95 58.29 2k9s s SER 98 Cb -0.08 -2.43 0.52 0.00 0.10 0.00 0.00 66.02 64.13 2k9s s SER 98 CO -0.00 -2.93 1.71 1.55 0.98 0.00 0.00 173.24 174.55 2k9s h PRO 99 N -1.75 0.05 -0.27 4.02 0.13 -1.91 -2.64 132.00 129.64 2k9s h PRO 99 Ca -0.47 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.52 -0.26 1.03 -0.23 0.00 0.00 178.00 179.54 2k9s h SER 100 N 0.04 0.53 -0.02 1.44 0.87 -1.98 -1.19 113.55 113.24 2k9s h SER 100 Ca -0.00 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2k9s h SER 100 Cb 0.87 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2k9s h SER 100 CO 0.07 0.78 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.85 2k9s h GLU 101 N 0.46 0.17 -0.73 2.24 4.81 -1.90 -3.09 114.58 116.55 2k9s h GLU 101 Ca 0.07 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2k9s h GLU 101 Cb 0.69 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2k9s h GLU 101 CO 0.05 0.87 0.42 0.35 -0.73 0.00 0.00 179.01 179.97 2k9s h PHE 102 N -0.46 0.96 -0.77 0.92 3.57 -1.45 -2.36 116.94 117.34 2k9s h PHE 102 Ca -0.02 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9s h PHE 102 Cb 0.93 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2k9s h PHE 102 CO 0.17 0.65 0.51 0.00 -2.23 0.00 0.00 178.31 177.41 2k9s h ARG 103 N 1.00 1.02 0.00 1.11 2.47 -1.27 -1.58 114.38 117.13 2k9s h ARG 103 Ca 0.26 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.87 2k9s h ARG 103 Cb -0.01 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.07 2k9s h ARG 103 CO -0.05 0.68 -0.20 0.00 0.56 0.00 0.00 179.97 180.96 2k9s h ALA 104 N 1.28 1.30 0.00 0.04 0.00 -1.35 -3.46 119.26 117.07 2k9s h ALA 104 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k9s h ALA 104 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2k9s h ALA 104 CO -0.06 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2k9s n GLY 105 N -0.53 0.93 3.70 0.00 0.00 -0.60 -5.03 105.19 103.66 2k9s n GLY 105 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32