#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 0.21 6.12 1.11 -1.26 -4.89 116.67 124.90 2k9s s ASP 2 Ca 0.00 1.79 -0.09 0.00 0.18 0.00 0.00 52.55 54.44 2k9s s ASP 2 Cb 0.00 -2.56 0.29 0.00 1.07 0.00 0.00 42.92 41.73 2k9s s ASP 2 CO 0.00 -0.36 1.75 0.78 1.18 0.00 0.00 175.17 178.52 2k9s h ASN 3 N 2.22 0.27 -0.15 0.27 4.21 -2.05 0.25 115.58 120.60 2k9s h ASN 3 Ca -0.48 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.08 2k9s h ASN 3 Cb 1.19 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 2k9s h ASN 3 CO 0.62 0.16 -0.00 0.03 -1.29 0.00 0.00 177.43 176.94 2k9s h ARG 4 N 0.45 0.27 -0.94 0.81 3.08 -1.99 -2.62 114.38 113.44 2k9s h ARG 4 Ca 0.32 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.29 2k9s h ARG 4 Cb 0.38 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2k9s h ARG 4 CO -0.30 0.50 0.63 0.28 -1.07 0.00 0.00 179.97 180.01 2k9s h VAL 5 N 0.01 1.23 -0.40 2.04 2.07 -1.80 -1.84 116.25 117.57 2k9s h VAL 5 Ca 0.04 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2k9s h VAL 5 Cb 0.38 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2k9s h VAL 5 CO 0.01 0.23 0.10 -0.09 0.02 0.00 0.00 177.57 177.84 2k9s h ARG 6 N 1.27 0.59 -0.22 1.57 2.43 -0.41 -2.71 114.38 116.89 2k9s h ARG 6 Ca 0.35 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2k9s h ARG 6 Cb -0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2k9s h ARG 6 CO -0.08 0.54 0.11 0.93 -1.51 0.00 0.00 179.97 179.96 2k9s h GLU 7 N 0.57 0.32 -0.63 0.20 4.39 -0.95 -2.64 114.58 115.85 2k9s h GLU 7 Ca 0.13 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.81 2k9s h GLU 7 Cb 0.22 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2k9s h GLU 7 CO -0.00 0.33 0.41 0.00 -1.16 0.00 0.00 179.01 178.59 2k9s h ALA 8 N 0.97 1.62 -0.58 3.43 0.00 -1.29 -1.65 119.26 121.75 2k9s h ALA 8 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2k9s h ALA 8 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2k9s h ALA 8 CO -0.01 0.33 0.39 0.00 0.00 0.00 0.00 179.25 179.96 2k9s h GLN 10 N 0.78 1.20 -0.17 0.00 5.75 -1.14 0.19 115.11 121.73 2k9s h GLN 10 Ca 0.22 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 2k9s h GLN 10 Cb -0.08 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.25 2k9s h GLN 10 CO -0.05 0.92 -0.14 -0.92 -2.65 0.00 0.00 178.83 175.98 2k9s h TYR 11 N 1.19 0.47 -0.48 3.99 3.20 -1.35 -2.39 116.97 121.60 2k9s h TYR 11 Ca 0.29 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2k9s h TYR 11 Cb 0.10 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2k9s h TYR 11 CO 0.01 0.76 0.13 0.82 -1.64 0.00 0.00 178.16 178.23 2k9s h ILE 12 N 0.05 1.20 -0.40 1.81 2.04 -1.18 -1.67 117.51 119.35 2k9s h ILE 12 Ca 0.03 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 2k9s h ILE 12 Cb 0.67 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2k9s h ILE 12 CO 0.04 0.27 -0.01 0.77 0.00 0.00 0.00 178.15 179.22 2k9s h SER 13 N 0.70 0.71 0.36 1.72 4.64 -0.91 -1.94 113.55 118.83 2k9s h SER 13 Ca 0.16 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2k9s h SER 13 Cb 0.25 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2k9s h SER 13 CO -0.00 0.85 -0.36 0.44 -0.87 0.00 0.00 176.83 176.88 2k9s h ASP 14 N 0.55 0.01 -0.48 4.97 5.19 -1.14 -2.24 116.42 123.28 2k9s h ASP 14 Ca 0.11 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2k9s h ASP 14 Cb 0.49 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2k9s h ASP 14 CO 0.02 0.37 0.00 1.41 -3.12 0.00 0.00 179.24 177.93 2k9s n HIS 15 N -4.10 1.48 0.28 4.55 8.25 -0.65 -4.33 115.22 120.68 2k9s n HIS 15 Ca -0.02 -0.54 0.13 0.00 -0.26 0.00 0.00 57.72 57.04 2k9s n HIS 15 Cb 0.40 -0.34 0.81 0.00 1.12 0.00 0.00 29.99 31.98 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 3.23 0.00 0.00 2.41 5.85 -0.71 -1.45 115.31 124.64 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 1.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2k9s h LEU 16 CO 0.31 0.06 -1.22 0.00 -0.34 0.00 0.00 178.44 177.25 2k9s n ALA 17 N -2.32 2.46 -1.76 1.25 0.00 -1.26 -4.73 120.51 114.15 2k9s n ALA 17 Ca -0.02 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 2k9s n ALA 17 Cb 0.16 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.61 2k9s n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9s s ASP 18 N -5.31 5.51 -0.18 0.00 1.01 -0.55 -4.92 116.67 112.24 2k9s s ASP 18 Ca -0.02 2.68 -0.23 0.00 0.71 0.00 0.00 52.55 55.69 2k9s s ASP 18 Cb 0.10 -2.63 -0.20 0.00 1.01 0.00 0.00 42.92 41.20 2k9s s ASP 18 CO 0.81 -1.40 0.38 -1.28 0.21 0.00 0.00 175.17 173.89 2k9s h SER 19 N 1.66 0.00 -3.48 0.27 0.87 -1.92 -3.44 113.55 107.51 2k9s h SER 19 Ca -0.51 -0.63 -0.57 0.00 -1.23 0.00 0.00 61.79 58.85 2k9s h SER 19 Cb 1.29 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.16 2k9s h SER 19 CO 0.58 1.26 0.86 0.20 -0.53 0.00 0.00 176.83 179.20 2k9s s ASN 20 N -6.54 6.52 -0.25 6.23 -0.87 -1.26 -5.00 114.94 113.76 2k9s s ASN 20 Ca -0.24 0.21 -0.05 0.00 -1.57 0.00 0.00 52.86 51.21 2k9s s ASN 20 Cb 0.02 -2.53 -0.00 0.00 -0.02 0.00 0.00 41.25 38.73 2k9s s ASN 20 CO 0.59 -1.30 0.01 0.12 -2.57 0.00 0.00 177.10 173.95 2k9s s PHE 21 N 4.48 3.06 -0.23 2.20 5.36 -1.26 -5.08 117.98 126.50 2k9s s PHE 21 Ca 0.43 -0.95 -0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2k9s s PHE 21 Cb -0.08 -2.17 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2k9s s PHE 21 CO 0.28 -0.55 -0.09 0.34 -1.46 0.00 0.00 175.22 173.74 2k9s s ASP 22 N 1.49 4.09 0.60 6.13 2.15 -1.26 -4.98 116.67 124.89 2k9s s ASP 22 Ca 0.04 -0.80 0.31 0.00 0.43 0.00 0.00 52.55 52.53 2k9s s ASP 22 Cb -0.16 -1.63 1.81 0.00 -0.30 0.00 0.00 42.92 42.64 2k9s s ASP 22 CO -0.00 -0.09 2.18 -0.29 -0.17 0.00 0.00 175.17 176.79 2k9s h ILE 23 N 6.08 0.41 -0.51 4.11 2.10 -2.01 -1.86 117.51 125.83 2k9s h ILE 23 Ca -0.35 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.60 2k9s h ILE 23 Cb 1.12 0.90 -0.03 0.00 -1.09 0.00 0.00 36.82 37.72 2k9s h ILE 23 CO 0.58 0.00 0.33 0.00 -1.08 0.00 0.00 178.15 177.98 2k9s h ALA 24 N 1.85 0.66 0.00 0.18 0.00 -1.99 -1.77 119.26 118.18 2k9s h ALA 24 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2k9s h ALA 24 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k9s h ALA 24 CO -0.00 0.06 -0.18 0.66 0.00 0.00 0.00 179.25 179.79 2k9s h SER 25 N 0.66 0.00 -0.05 0.00 4.64 -1.77 -1.74 113.55 115.29 2k9s h SER 25 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2k9s h SER 25 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2k9s h SER 25 CO -0.06 0.18 0.01 0.58 -0.87 0.00 0.00 176.83 176.66 2k9s h VAL 26 N 0.00 1.23 -0.27 0.95 2.07 -1.35 -1.83 116.25 117.05 2k9s h VAL 26 Ca -0.00 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2k9s h VAL 26 Cb 0.33 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2k9s h VAL 26 CO 0.02 0.19 -0.25 0.00 0.02 0.00 0.00 177.57 177.55 2k9s h ALA 27 N 0.74 1.07 -0.51 1.67 0.00 -1.23 -2.89 119.26 118.12 2k9s h ALA 27 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2k9s h ALA 27 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k9s h ALA 27 CO 0.00 0.57 0.04 0.37 0.00 0.00 0.00 179.25 180.23 2k9s h GLN 28 N 0.46 0.83 -0.45 0.00 5.75 -1.23 0.19 115.11 120.65 2k9s h GLN 28 Ca 0.07 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 2k9s h GLN 28 Cb 0.68 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2k9s h GLN 28 CO 0.05 0.80 0.25 1.25 -2.65 0.00 0.00 178.83 178.53 2k9s h HIS 29 N 0.78 0.60 -0.48 3.99 2.76 -1.11 -0.72 115.15 120.97 2k9s h HIS 29 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2k9s h HIS 29 Cb 0.41 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2k9s h HIS 29 CO 0.02 0.42 0.00 1.33 -1.30 0.00 0.00 177.93 178.41 2k9s n VAL 30 N -4.42 1.06 -3.75 5.26 0.24 -0.97 -4.91 118.33 110.84 2k9s n VAL 30 Ca 0.04 -0.77 -0.29 0.00 -2.04 0.00 0.00 64.34 61.28 2k9s n VAL 30 Cb 0.10 0.13 0.01 0.00 -1.47 0.00 0.00 33.84 32.61 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 -7.01 1.81 0.69 0.00 1.43 0.02 -5.02 118.68 110.60 2k9s s LEU 32 Ca 0.58 -1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 2k9s s LEU 32 Cb -0.30 0.39 0.01 0.00 0.03 0.00 0.00 46.19 46.33 2k9s s LEU 32 CO 0.72 -0.72 1.08 -0.44 0.23 0.00 0.00 176.35 177.22 2k9s s SER 33 N -3.01 5.09 0.15 2.29 0.01 -1.26 -3.67 113.70 113.31 2k9s s SER 33 Ca 0.20 1.82 -0.10 0.00 1.31 0.00 0.00 55.95 59.18 2k9s s SER 33 Cb 0.07 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 2k9s s SER 33 CO -0.01 -1.64 1.49 1.55 0.41 0.00 0.00 173.24 175.04 2k9s h PRO 34 N -0.45 0.89 -0.17 12.44 0.13 -1.90 -1.24 132.00 141.70 2k9s h PRO 34 Ca -0.45 -0.47 -0.04 0.00 -0.87 0.00 0.00 66.00 64.17 2k9s h PRO 34 Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2k9s h PRO 34 CO 0.54 1.12 -0.05 0.77 -0.23 0.00 0.00 178.00 180.15 2k9s h SER 35 N 0.73 0.34 -0.46 1.44 0.02 -1.98 0.24 113.55 113.88 2k9s h SER 35 Ca 0.06 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 2k9s h SER 35 Cb 0.98 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2k9s h SER 35 CO 0.09 0.64 0.04 -0.09 -1.14 0.00 0.00 176.83 176.37 2k9s h ARG 36 N 0.03 0.78 -0.24 3.45 9.65 -1.96 -1.42 114.38 124.68 2k9s h ARG 36 Ca 0.04 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 2k9s h ARG 36 Cb 0.49 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2k9s h ARG 36 CO 0.02 0.82 -0.15 1.25 2.80 0.00 0.00 179.97 184.70 2k9s h LEU 37 N 0.64 0.56 -1.09 3.80 5.85 -1.21 -2.92 115.31 120.94 2k9s h LEU 37 Ca 0.13 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2k9s h LEU 37 Cb 0.44 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2k9s h LEU 37 CO 0.02 0.87 0.59 -1.28 -0.34 0.00 0.00 178.44 178.30 2k9s h SER 38 N 0.25 1.05 -0.09 1.25 0.87 -0.47 0.25 113.55 116.66 2k9s h SER 38 Ca 0.05 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2k9s h SER 38 Cb 0.67 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2k9s h SER 38 CO 0.04 0.77 0.04 -0.74 -0.53 0.00 0.00 176.83 176.41 2k9s h HIS 39 N 1.24 0.07 -0.05 2.24 -0.00 -1.19 -2.00 115.15 115.46 2k9s h HIS 39 Ca 0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.56 2k9s h HIS 39 Cb -0.13 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 2k9s h HIS 39 CO 0.00 0.04 -0.62 -0.07 -0.00 0.00 0.00 177.93 177.28 2k9s h LEU 40 N 0.09 0.20 -0.13 0.26 3.38 -1.28 -2.95 115.31 114.88 2k9s h LEU 40 Ca 0.04 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2k9s h LEU 40 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2k9s h LEU 40 CO -0.03 0.77 -0.02 0.15 0.09 0.00 0.00 178.44 179.40 2k9s h PHE 41 N 0.13 -0.04 0.00 1.13 3.04 -0.14 0.35 116.94 121.40 2k9s h PHE 41 Ca -0.01 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 2k9s h PHE 41 Cb 1.12 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 2k9s h PHE 41 CO 0.02 -0.04 -0.23 -0.09 -2.02 0.00 0.00 178.31 175.95 2k9s h ARG 42 N 0.02 0.00 0.12 1.11 1.12 -1.38 0.43 114.38 115.80 2k9s h ARG 42 Ca 0.06 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.64 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 -0.12 0.23 -1.22 1.96 -3.11 0.00 0.00 179.97 177.70 2k9s h GLN 43 N 0.00 0.61 0.23 0.20 4.20 -1.13 0.53 115.11 119.75 2k9s h GLN 43 Ca -0.00 -0.82 -0.34 0.00 0.06 0.00 0.00 58.65 57.55 2k9s h GLN 43 Cb 0.58 0.27 0.03 0.00 0.30 0.00 0.00 27.48 28.66 2k9s h GLN 43 CO 0.03 1.37 -1.54 1.96 -0.67 0.00 0.00 178.83 179.99 2k9s h GLN 44 N 0.23 0.48 0.00 1.46 1.08 -0.16 -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 -0.73 1.25 -0.95 0.00 0.00 178.83 180.02 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 6.46 -0.28 -3.42 115.31 119.66 2k9s h LEU 45 Ca -0.27 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 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 0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.74 2k9s n GLY 46 N 1.26 0.22 3.51 3.75 0.00 0.18 -4.93 105.19 109.18 2k9s n GLY 46 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.48 0.00 0.42 -0.61 -4.36 -1.13 -4.96 121.20 109.07 2k9s s ILE 47 Ca 0.00 -1.55 -0.23 0.00 -0.26 0.00 0.00 60.65 58.62 2k9s s ILE 47 Cb 0.00 -2.39 -0.10 0.00 1.25 0.00 0.00 42.46 41.22 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 -3.11 6.81 0.24 4.36 1.04 -1.26 -3.84 113.70 117.94 2k9s s SER 48 Ca 0.27 1.88 -0.05 0.00 0.48 0.00 0.00 55.95 58.52 2k9s s SER 48 Cb 0.00 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.95 2k9s s SER 48 CO 0.13 -0.45 1.77 0.58 0.98 0.00 0.00 173.24 176.25 2k9s h VAL 49 N 2.03 0.81 -0.35 5.02 2.07 -1.93 0.34 116.25 124.24 2k9s h VAL 49 Ca -0.49 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2k9s h VAL 49 Cb 1.20 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2k9s h VAL 49 CO 0.62 0.11 0.14 -0.07 0.02 0.00 0.00 177.57 178.38 2k9s h LEU 50 N 0.61 0.44 -0.10 2.57 4.07 -2.00 -1.84 115.31 119.05 2k9s h LEU 50 Ca 0.38 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 58.19 2k9s h LEU 50 Cb 0.44 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2k9s h LEU 50 CO -0.30 0.41 -0.37 -1.28 -1.08 0.00 0.00 178.44 175.82 2k9s h SER 51 N 0.49 0.50 -0.90 -0.43 0.87 -1.39 -2.93 113.55 109.77 2k9s h SER 51 Ca 0.12 -0.62 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 2k9s h SER 51 Cb 0.11 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 2k9s h SER 51 CO -0.01 1.04 0.58 -0.25 -0.53 0.00 0.00 176.83 177.66 2k9s h TRP 52 N -0.01 1.10 -0.26 2.24 7.01 -0.77 0.84 115.95 126.09 2k9s h TRP 52 Ca -0.02 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 2k9s h TRP 52 Cb 1.01 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 2k9s h TRP 52 CO 0.12 0.64 0.15 -0.09 -2.79 0.00 0.00 178.44 176.47 2k9s h ARG 53 N 1.14 0.36 -0.21 2.65 2.43 -1.37 0.20 114.38 119.59 2k9s h ARG 53 Ca 0.35 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 2k9s h ARG 53 Cb -0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2k9s h ARG 53 CO -0.11 0.30 0.01 0.93 -1.51 0.00 0.00 179.97 179.59 2k9s h GLU 54 N 0.33 0.36 -0.67 0.20 5.08 -1.26 -1.95 114.58 116.67 2k9s h GLU 54 Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2k9s h GLU 54 Cb 0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2k9s h GLU 54 CO -0.02 0.54 0.32 -0.44 -1.00 0.00 0.00 179.01 178.41 2k9s h ASP 55 N 0.13 0.86 -0.54 1.42 5.19 -0.72 -2.46 116.42 120.29 2k9s h ASP 55 Ca 0.06 -0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.28 2k9s h ASP 55 Cb 0.37 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 2k9s h ASP 55 CO 0.01 0.73 -0.02 1.56 -3.12 0.00 0.00 179.24 178.40 2k9s h GLN 56 N 0.94 0.99 -0.72 3.56 1.08 -0.45 -2.05 115.11 118.47 2k9s h GLN 56 Ca 0.23 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2k9s h GLN 56 Cb 0.10 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2k9s h GLN 56 CO -0.03 0.99 0.46 0.00 -0.95 0.00 0.00 178.83 179.30 2k9s h ARG 57 N 0.91 0.90 -0.30 1.46 3.08 -0.89 0.25 114.38 119.78 2k9s h ARG 57 Ca 0.16 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2k9s h ARG 57 Cb 0.56 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k9s h ARG 57 CO 0.03 0.60 -0.11 0.82 -1.07 0.00 0.00 179.97 180.24 2k9s h ILE 58 N 0.93 1.29 -0.06 2.04 1.08 -1.33 -1.90 117.51 119.55 2k9s h ILE 58 Ca 0.27 -1.17 -0.08 0.00 -0.39 0.00 0.00 64.86 63.49 2k9s h ILE 58 Cb -0.05 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k9s h ILE 58 CO -0.08 0.38 -0.32 -1.28 -0.69 0.00 0.00 178.15 176.15 2k9s h SER 59 N 0.36 0.11 -0.18 1.72 0.87 -1.05 -2.95 113.55 112.43 2k9s h SER 59 Ca 0.07 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2k9s h SER 59 Cb 0.61 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2k9s h SER 59 CO 0.04 0.43 -0.30 -0.61 -0.53 0.00 0.00 176.83 175.86 2k9s h GLN 60 N 0.10 0.51 -0.76 2.24 5.75 -0.37 -3.13 115.11 119.45 2k9s h GLN 60 Ca 0.01 -0.32 0.08 0.00 -0.15 0.00 0.00 58.65 58.28 2k9s h GLN 60 Cb 0.62 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.16 2k9s h GLN 60 CO 0.05 0.92 0.50 0.00 -2.65 0.00 0.00 178.83 177.64 2k9s h ALA 61 N 0.59 1.74 -0.87 3.38 0.00 -1.20 -1.33 119.26 121.57 2k9s h ALA 61 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k9s h ALA 61 Cb 0.88 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2k9s h ALA 61 CO 0.07 0.12 0.46 0.87 0.00 0.00 0.00 179.25 180.76 2k9s h LYS 62 N 0.73 1.22 -0.58 0.00 1.57 -1.47 0.89 116.57 118.93 2k9s h LYS 62 Ca 0.34 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2k9s h LYS 62 Cb 0.37 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2k9s h LYS 62 CO -0.12 0.91 0.26 1.25 -0.57 0.00 0.00 179.45 181.18 2k9s h LEU 63 N 1.22 0.76 -0.21 2.94 5.85 -1.23 0.18 115.31 124.82 2k9s h LEU 63 Ca 0.30 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 2k9s h LEU 63 Cb 0.05 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2k9s h LEU 63 CO -0.05 0.69 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.43 2k9s h LEU 64 N 0.78 0.59 -1.54 2.25 3.38 -1.17 0.26 115.31 119.86 2k9s h LEU 64 Ca 0.20 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2k9s h LEU 64 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k9s h LEU 64 CO -0.02 0.96 -0.20 -0.07 0.09 0.00 0.00 178.44 179.19 2k9s h LEU 65 N 0.23 0.00 0.00 1.67 3.38 -0.70 0.59 115.31 120.48 2k9s h LEU 65 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 2k9s h LEU 65 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2k9s h LEU 65 CO 0.06 0.20 -1.51 -0.24 0.09 0.00 0.00 178.44 177.04 2k9s n SER 66 N -3.64 0.81 0.02 -0.43 2.88 0.62 -4.01 113.62 109.87 2k9s n SER 66 Ca -0.01 0.36 0.11 0.00 -1.33 0.00 0.00 58.87 58.00 2k9s n SER 66 Cb 0.33 0.20 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 2k9s n SER 66 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2k9s n THR 67 N -2.89 0.10 -4.41 2.46 5.66 0.91 -4.96 114.28 111.14 2k9s n THR 67 Ca -0.12 -0.15 -0.21 0.00 -3.05 0.00 0.00 64.05 60.52 2k9s n THR 67 Cb 0.88 0.37 -0.09 0.00 -1.55 0.00 0.00 70.33 69.94 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 -3.13 0.66 -0.11 1.09 -4.23 0.20 -5.03 115.64 105.09 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 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.69 2k9s s THR 68 CO 0.80 0.00 1.13 -2.11 -0.54 0.00 0.00 174.62 173.90 2k9s n ARG 69 N -0.68 1.60 -1.62 3.99 0.00 -1.26 -4.61 116.66 114.07 2k9s n ARG 69 Ca -0.02 -2.41 -0.34 0.00 -0.00 0.00 0.00 57.85 55.08 2k9s n ARG 69 Cb 0.66 -1.43 0.07 0.00 -0.00 0.00 0.00 32.46 31.76 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 -2.57 2.47 0.86 2.89 -1.94 -1.26 -5.01 119.30 114.74 2k9s s MET 70 Ca 0.27 1.66 -0.11 0.00 -1.71 0.00 0.00 55.69 55.80 2k9s s MET 70 Cb 0.24 -1.88 0.11 0.00 2.01 0.00 0.00 34.83 35.30 2k9s s MET 70 CO 0.03 -1.56 1.09 -1.25 -0.01 0.00 0.00 175.02 173.32 2k9s s PRO 71 N -3.87 1.53 0.50 2.03 0.04 -1.26 -4.76 135.00 129.22 2k9s s PRO 71 Ca 0.73 0.91 0.16 0.00 0.04 0.00 0.00 61.00 62.84 2k9s s PRO 71 Cb -0.27 -1.83 1.21 0.00 0.04 0.00 0.00 34.50 33.65 2k9s s PRO 71 CO 0.42 -2.07 2.09 0.82 0.04 0.00 0.00 177.00 178.30 2k9s h ILE 72 N -1.43 0.96 -0.20 0.56 2.04 -1.98 -0.33 117.51 117.12 2k9s h ILE 72 Ca -0.48 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 2k9s h ILE 72 Cb 1.27 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2k9s h ILE 72 CO 0.54 0.02 0.06 0.00 0.00 0.00 0.00 178.15 178.76 2k9s h ALA 73 N 1.89 0.27 -0.27 1.87 0.00 -1.91 -2.18 119.26 118.93 2k9s h ALA 73 Ca 0.09 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2k9s h ALA 73 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k9s h ALA 73 CO -0.01 -0.10 -0.54 1.15 0.00 0.00 0.00 179.25 179.75 2k9s h THR 74 N 0.15 1.28 -0.95 0.00 2.02 -1.76 -3.17 112.91 110.47 2k9s h THR 74 Ca 0.06 -1.73 0.09 0.00 0.77 0.00 0.00 66.41 65.60 2k9s h THR 74 Cb 0.25 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.28 2k9s h THR 74 CO -0.00 0.56 0.60 0.58 0.37 0.00 0.00 175.52 177.63 2k9s h VAL 75 N 0.61 1.00 -1.00 3.16 2.07 -1.04 -1.74 116.25 119.31 2k9s h VAL 75 Ca 0.01 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.25 2k9s h VAL 75 Cb 1.15 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2k9s h VAL 75 CO 0.12 0.19 0.64 1.23 0.02 0.00 0.00 177.57 179.77 2k9s h GLY 76 N 1.03 1.53 1.36 2.17 0.00 -1.36 -1.25 103.07 106.55 2k9s h GLY 76 Ca 0.44 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k9s h GLY 76 CO -0.21 0.31 0.34 3.21 0.00 0.00 0.00 176.54 180.18 2k9s h ARG 77 N 1.14 0.54 -0.17 4.80 3.08 -0.95 0.47 114.38 123.28 2k9s h ARG 77 Ca 0.44 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 2k9s h ARG 77 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2k9s h ARG 77 CO -0.19 0.36 0.03 -0.91 -1.07 0.00 0.00 179.97 178.19 2k9s h ASN 78 N 0.56 0.21 -0.61 7.04 2.35 -1.19 -1.02 115.58 122.93 2k9s h ASN 78 Ca 0.21 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2k9s h ASN 78 Cb 0.14 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2k9s h ASN 78 CO -0.06 0.23 0.00 1.33 -1.65 0.00 0.00 177.43 177.29 2k9s n VAL 79 N -4.43 2.23 -0.92 2.81 0.24 -0.34 -4.89 118.33 113.03 2k9s n VAL 79 Ca -0.00 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 2k9s n VAL 79 Cb 0.14 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 0.89 0.52 3.63 7.63 0.00 -0.39 -4.91 105.19 112.56 2k9s n GLY 80 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 3.19 0.07 1.61 0.40 0.15 -4.91 117.98 116.08 2k9s s PHE 81 Ca 0.00 1.06 0.05 0.00 -0.60 0.00 0.00 56.93 57.44 2k9s s PHE 81 Cb 0.00 -3.45 -0.23 0.00 0.51 0.00 0.00 43.02 39.85 2k9s s PHE 81 CO 0.00 -0.65 1.08 0.38 0.70 0.00 0.00 175.22 176.72 2k9s h ASP 82 N 8.04 0.11 -3.74 1.36 2.03 -1.94 -2.68 116.42 119.60 2k9s h ASP 82 Ca -0.22 -0.14 -0.64 0.00 -0.73 0.00 0.00 57.03 55.30 2k9s h ASP 82 Cb 1.08 -0.04 -0.15 0.00 -0.83 0.00 0.00 39.33 39.38 2k9s h ASP 82 CO 0.96 1.11 -0.29 -0.62 -1.03 0.00 0.00 179.24 179.38 2k9s s ASP 83 N -6.69 6.20 0.21 4.15 2.15 -1.26 -4.95 116.67 116.48 2k9s s ASP 83 Ca -0.02 0.14 -0.08 0.00 0.43 0.00 0.00 52.55 53.02 2k9s s ASP 83 Cb 0.09 -2.19 0.16 0.00 -0.30 0.00 0.00 42.92 40.67 2k9s s ASP 83 CO 0.83 -0.19 1.80 -0.61 -0.17 0.00 0.00 175.17 176.84 2k9s h GLN 84 N 8.26 1.14 -0.18 4.34 4.15 -1.87 -2.34 115.11 128.61 2k9s h GLN 84 Ca -0.32 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 58.86 2k9s h GLN 84 Cb 1.16 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2k9s h GLN 84 CO 0.64 0.88 -0.23 -0.07 -1.93 0.00 0.00 178.83 178.12 2k9s h LEU 85 N 1.12 0.31 -0.59 -2.39 3.38 -1.94 -2.48 115.31 112.72 2k9s h LEU 85 Ca 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2k9s h LEU 85 Cb 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2k9s h LEU 85 CO -0.03 0.55 0.24 0.22 0.09 0.00 0.00 178.44 179.50 2k9s h TYR 86 N 0.29 0.91 -0.11 1.13 3.20 -1.84 0.26 116.97 120.79 2k9s h TYR 86 Ca 0.05 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2k9s h TYR 86 Cb 0.57 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 2k9s h TYR 86 CO 0.01 0.73 -0.01 0.35 -1.64 0.00 0.00 178.16 177.60 2k9s h PHE 87 N 0.82 0.23 -0.48 -3.82 3.57 -1.27 -1.73 116.94 114.26 2k9s h PHE 87 Ca 0.20 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2k9s h PHE 87 Cb 0.21 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2k9s h PHE 87 CO 0.01 0.48 -0.02 0.66 -2.23 0.00 0.00 178.31 177.21 2k9s h SER 88 N -0.08 0.79 0.09 0.41 4.64 -1.35 0.31 113.55 118.36 2k9s h SER 88 Ca 0.03 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2k9s h SER 88 Cb 0.39 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2k9s h SER 88 CO 0.01 0.86 -0.04 0.03 -0.87 0.00 0.00 176.83 176.82 2k9s h ARG 89 N 0.76 -0.12 -0.13 4.77 2.47 -0.42 0.24 114.38 121.95 2k9s h ARG 89 Ca 0.14 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.80 2k9s h ARG 89 Cb 0.48 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2k9s h ARG 89 CO 0.02 0.06 -0.19 0.28 0.56 0.00 0.00 179.97 180.71 2k9s h VAL 90 N -0.28 1.36 -0.54 2.04 2.07 -1.23 -3.16 116.25 116.51 2k9s h VAL 90 Ca -0.01 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2k9s h VAL 90 Cb 0.23 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2k9s h VAL 90 CO 0.02 0.41 0.29 0.15 0.02 0.00 0.00 177.57 178.46 2k9s h PHE 91 N -0.03 0.73 -0.34 1.57 3.04 -0.39 -1.70 116.94 119.82 2k9s h PHE 91 Ca 0.01 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.03 2k9s h PHE 91 Cb 0.74 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 2k9s h PHE 91 CO 0.09 0.52 0.24 -0.22 -2.02 0.00 0.00 178.31 176.92 2k9s h LYS 92 N 0.76 0.09 0.00 1.11 3.11 -0.48 0.83 116.57 121.99 2k9s h LYS 92 Ca 0.19 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.93 2k9s h LYS 92 Cb 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2k9s h LYS 92 CO -0.03 0.06 -0.45 0.87 -2.81 0.00 0.00 179.45 177.09 2k9s h LYS 93 N 0.10 0.00 0.04 1.90 1.79 -1.33 0.71 116.57 119.78 2k9s h LYS 93 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2k9s h LYS 93 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2k9s h LYS 93 CO -0.02 0.45 -0.02 0.00 -1.08 0.00 0.00 179.45 178.78 2k9s n THR 95 N -5.03 0.01 -0.00 0.00 -2.24 -1.16 -4.97 114.28 100.88 2k9s n THR 95 Ca -0.08 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2k9s n THR 95 Cb 0.13 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.44 0.71 3.04 3.38 0.00 0.23 -5.03 105.19 108.95 2k9s n GLY 96 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.40 0.96 4.61 0.00 0.07 -4.83 121.76 120.72 2k9s s ALA 97 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 2k9s s ALA 97 Cb 0.00 0.14 0.17 0.00 0.00 0.00 0.00 23.12 23.43 2k9s s ALA 97 CO 0.00 -0.16 1.10 -1.12 0.00 0.00 0.00 175.76 175.57 2k9s s SER 98 N -1.89 2.73 0.40 0.00 0.01 -1.26 -4.20 113.70 109.48 2k9s s SER 98 Ca -0.08 1.81 0.18 0.00 1.31 0.00 0.00 55.95 59.18 2k9s s SER 98 Cb -0.06 -2.40 0.82 0.00 0.21 0.00 0.00 66.02 64.59 2k9s s SER 98 CO -0.02 -3.16 1.81 1.55 0.41 0.00 0.00 173.24 173.83 2k9s h PRO 99 N -1.91 0.00 -0.20 12.44 0.13 -1.93 -2.93 132.00 137.60 2k9s h PRO 99 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2k9s h PRO 99 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2k9s h PRO 99 CO 0.48 0.34 -0.29 0.66 -0.23 0.00 0.00 178.00 178.96 2k9s h SER 100 N 0.00 0.38 -0.02 1.44 4.64 -1.98 -1.65 113.55 116.36 2k9s h SER 100 Ca -0.00 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 2k9s h SER 100 Cb 0.75 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2k9s h SER 100 CO 0.04 0.66 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.42 2k9s h GLU 101 N 0.33 0.16 -0.81 4.77 4.22 -1.89 -3.12 114.58 118.25 2k9s h GLU 101 Ca 0.05 -0.14 0.02 0.00 0.08 0.00 0.00 59.36 59.36 2k9s h GLU 101 Cb 0.68 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2k9s h GLU 101 CO 0.05 0.82 0.53 0.35 -2.18 0.00 0.00 179.01 178.58 2k9s h PHE 102 N -0.46 1.00 -0.49 0.92 3.57 -1.49 -1.76 116.94 118.22 2k9s h PHE 102 Ca -0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2k9s h PHE 102 Cb 0.87 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2k9s h PHE 102 CO 0.16 0.61 0.32 -0.09 -2.23 0.00 0.00 178.31 177.09 2k9s h ARG 103 N 1.07 0.44 -0.07 1.11 2.43 -1.37 -0.61 114.38 117.39 2k9s h ARG 103 Ca 0.30 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2k9s h ARG 103 Cb -0.09 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2k9s h ARG 103 CO -0.08 0.29 -0.33 0.00 -1.51 0.00 0.00 179.97 178.35 2k9s h ALA 104 N 1.73 1.33 0.00 2.80 0.00 -1.25 -3.47 119.26 120.41 2k9s h ALA 104 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k9s h ALA 104 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k9s h ALA 104 CO -0.05 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2k9s n GLY 105 N -0.48 0.54 3.72 0.00 0.00 -0.24 -5.01 105.19 103.72 2k9s n GLY 105 Ca -0.01 -0.19 -0.42 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