#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 7.14 0.38 6.12 -4.77 -1.26 -4.95 116.67 119.32 2k9s s ASP 2 Ca 0.00 1.87 0.10 0.00 -3.30 0.00 0.00 52.55 51.21 2k9s s ASP 2 Cb 0.00 -2.57 0.76 0.00 -1.09 0.00 0.00 42.92 40.02 2k9s s ASP 2 CO 0.00 -0.22 1.90 -1.13 0.70 0.00 0.00 175.17 176.42 2k9s h ASN 3 N 2.81 0.20 -0.21 2.11 -0.73 -2.05 -2.35 115.58 115.36 2k9s h ASN 3 Ca -0.47 -0.05 0.04 0.00 1.87 0.00 0.00 56.30 57.69 2k9s h ASN 3 Cb 1.20 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 39.69 2k9s h ASN 3 CO 0.64 0.39 -0.06 0.03 -0.37 0.00 0.00 177.43 178.06 2k9s h ARG 4 N 0.20 -0.01 -0.31 6.67 3.08 -1.98 -1.73 114.38 120.31 2k9s h ARG 4 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 2k9s h ARG 4 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k9s h ARG 4 CO 0.03 -0.00 -0.43 0.28 -1.07 0.00 0.00 179.97 178.77 2k9s h VAL 5 N -0.01 1.28 -0.80 2.04 2.07 -1.93 -3.03 116.25 115.89 2k9s h VAL 5 Ca 0.10 -1.62 0.13 0.00 0.82 0.00 0.00 66.70 66.14 2k9s h VAL 5 Cb 0.16 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2k9s h VAL 5 CO -0.22 0.53 0.52 -0.09 0.02 0.00 0.00 177.57 178.33 2k9s h ARG 6 N 0.64 0.56 -0.49 1.57 9.65 -0.97 -0.75 114.38 124.59 2k9s h ARG 6 Ca 0.04 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 2k9s h ARG 6 Cb 1.00 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 2k9s h ARG 6 CO 0.10 0.37 -0.14 0.93 2.80 0.00 0.00 179.97 184.02 2k9s h GLU 7 N 0.57 0.97 -0.68 0.20 4.39 -1.20 -2.94 114.58 115.89 2k9s h GLU 7 Ca 0.39 -0.38 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2k9s h GLU 7 Cb 0.70 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 2k9s h GLU 7 CO -0.15 1.05 0.45 0.00 -1.16 0.00 0.00 179.01 179.21 2k9s h ALA 8 N 0.89 1.63 -0.41 3.43 0.00 -1.14 -1.34 119.26 122.33 2k9s h ALA 8 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k9s h ALA 8 Cb 0.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k9s h ALA 8 CO 0.05 0.29 0.26 0.00 0.00 0.00 0.00 179.25 179.86 2k9s h GLN 10 N 0.55 0.85 -0.06 0.00 5.75 -1.27 0.24 115.11 121.18 2k9s h GLN 10 Ca 0.15 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2k9s h GLN 10 Cb -0.05 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 2k9s h GLN 10 CO -0.03 0.67 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.85 2k9s h TYR 11 N 0.82 0.17 -0.86 3.99 3.20 -1.39 -2.91 116.97 120.00 2k9s h TYR 11 Ca 0.21 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2k9s h TYR 11 Cb 0.08 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2k9s h TYR 11 CO -0.01 0.58 0.45 0.82 -1.64 0.00 0.00 178.16 178.36 2k9s h ILE 12 N -0.28 1.25 -0.97 1.81 2.04 -1.23 -2.45 117.51 117.69 2k9s h ILE 12 Ca 0.01 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2k9s h ILE 12 Cb 0.54 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2k9s h ILE 12 CO 0.01 0.29 0.63 -1.28 0.00 0.00 0.00 178.15 177.80 2k9s h SER 13 N 1.20 1.00 0.50 1.72 0.87 -0.52 0.29 113.55 118.61 2k9s h SER 13 Ca 0.30 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 2k9s h SER 13 Cb 0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2k9s h SER 13 CO -0.05 0.64 -0.25 0.44 -0.53 0.00 0.00 176.83 177.08 2k9s h ASP 14 N 1.13 0.00 -0.35 6.23 5.19 -1.24 -2.46 116.42 124.92 2k9s h ASP 14 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 2k9s h ASP 14 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2k9s h ASP 14 CO -0.16 0.25 0.00 1.41 -3.12 0.00 0.00 179.24 177.62 2k9s n HIS 15 N -3.76 1.08 0.19 4.55 8.25 -0.09 -4.59 115.22 120.85 2k9s n HIS 15 Ca -0.01 -0.78 0.17 0.00 -0.26 0.00 0.00 57.72 56.84 2k9s n HIS 15 Cb 0.35 -0.29 0.81 0.00 1.12 0.00 0.00 29.99 31.97 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 2.34 0.00 0.00 2.41 5.85 -0.01 0.11 115.31 126.01 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 1.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2k9s h LEU 16 CO 0.23 0.00 -1.21 0.00 -0.34 0.00 0.00 178.44 177.12 2k9s n ALA 17 N -2.37 2.45 -1.74 1.25 0.00 -1.26 -4.70 120.51 114.14 2k9s n ALA 17 Ca 0.02 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 2k9s n ALA 17 Cb 0.34 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.82 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 4.92 -0.21 0.00 2.15 0.40 -4.88 116.67 113.72 2k9s s ASP 18 Ca -0.02 2.57 -0.20 0.00 0.43 0.00 0.00 52.55 55.34 2k9s s ASP 18 Cb 0.10 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.93 2k9s s ASP 18 CO 0.81 -1.79 0.13 -1.20 -0.17 0.00 0.00 175.17 172.94 2k9s n SER 19 N -1.64 1.86 -4.56 -0.34 7.64 -1.26 -4.79 113.62 110.53 2k9s n SER 19 Ca 0.14 0.43 -0.42 0.00 1.01 0.00 0.00 58.87 60.03 2k9s n SER 19 Cb 0.48 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 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 -6.81 6.43 -0.14 6.43 -0.87 -1.26 -5.01 114.94 113.70 2k9s s ASN 20 Ca -0.29 -0.01 -0.05 0.00 -1.57 0.00 0.00 52.86 50.95 2k9s s ASN 20 Cb 0.06 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.25 38.74 2k9s s ASN 20 CO 0.55 -1.37 0.04 0.12 -2.57 0.00 0.00 177.10 173.87 2k9s s PHE 21 N 4.56 3.24 -0.21 2.20 5.36 -1.26 -5.09 117.98 126.77 2k9s s PHE 21 Ca 0.39 0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 2k9s s PHE 21 Cb -0.09 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 2k9s s PHE 21 CO 0.24 0.30 -0.11 0.34 -1.46 0.00 0.00 175.22 174.53 2k9s s ASP 22 N -0.17 3.87 0.34 6.13 -1.08 -1.26 -4.99 116.67 119.51 2k9s s ASP 22 Ca 0.07 -0.65 0.12 0.00 -0.52 0.00 0.00 52.55 51.57 2k9s s ASP 22 Cb -0.12 -1.62 0.60 0.00 -1.46 0.00 0.00 42.92 40.33 2k9s s ASP 22 CO 0.02 -0.05 1.76 -0.29 0.52 0.00 0.00 175.17 177.12 2k9s h ILE 23 N 5.94 1.31 -0.69 4.11 6.09 -2.00 -3.03 117.51 129.24 2k9s h ILE 23 Ca -0.40 -1.55 0.00 0.00 -1.37 0.00 0.00 64.86 61.53 2k9s h ILE 23 Cb 1.14 1.84 -0.03 0.00 0.47 0.00 0.00 36.82 40.23 2k9s h ILE 23 CO 0.61 0.44 0.44 0.00 -3.07 0.00 0.00 178.15 176.57 2k9s h ALA 24 N 1.55 0.88 0.00 0.18 0.00 -1.99 -1.84 119.26 118.04 2k9s h ALA 24 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k9s h ALA 24 Cb 0.81 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k9s h ALA 24 CO 0.06 0.33 -0.15 0.77 0.00 0.00 0.00 179.25 180.26 2k9s h SER 25 N 0.94 0.00 -0.23 0.00 0.02 -1.97 -2.23 113.55 110.08 2k9s h SER 25 Ca 0.25 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 2k9s h SER 25 Cb -0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k9s h SER 25 CO -0.05 0.15 -0.46 0.58 -1.14 0.00 0.00 176.83 175.90 2k9s h VAL 26 N 0.00 1.28 -0.05 2.27 2.07 -1.37 -1.99 116.25 118.47 2k9s h VAL 26 Ca -0.00 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2k9s h VAL 26 Cb 0.26 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2k9s h VAL 26 CO 0.02 0.54 -0.01 0.00 0.02 0.00 0.00 177.57 178.13 2k9s h ALA 27 N 0.83 0.07 -0.64 1.67 0.00 -1.00 -3.04 119.26 117.16 2k9s h ALA 27 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k9s h ALA 27 Cb 1.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2k9s h ALA 27 CO 0.10 -0.22 0.34 -0.56 0.00 0.00 0.00 179.25 178.91 2k9s h GLN 28 N -0.25 0.88 -0.62 0.00 3.07 -1.43 -0.06 115.11 116.71 2k9s h GLN 28 Ca 0.01 -0.10 0.06 0.00 0.09 0.00 0.00 58.65 58.72 2k9s h GLN 28 Cb 0.40 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 27.75 2k9s h GLN 28 CO 0.00 0.66 0.41 1.25 0.09 0.00 0.00 178.83 181.24 2k9s h HIS 29 N 0.89 0.60 -0.57 0.06 2.76 -1.28 0.50 115.15 118.11 2k9s h HIS 29 Ca 0.23 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2k9s h HIS 29 Cb 0.04 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.80 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 -4.48 1.87 -3.50 5.26 0.24 -0.77 -4.92 118.33 112.03 2k9s n VAL 30 Ca 0.09 -1.11 -0.26 0.00 -2.04 0.00 0.00 64.34 61.02 2k9s n VAL 30 Cb 0.24 -0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.60 2k9s n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9s s LEU 32 N -6.75 1.94 0.71 0.00 2.96 -0.11 -5.01 118.68 112.42 2k9s s LEU 32 Ca 0.47 -1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.17 2k9s s LEU 32 Cb -0.24 0.35 0.02 0.00 0.50 0.00 0.00 46.19 46.81 2k9s s LEU 32 CO 0.58 -0.70 1.06 -0.44 -1.32 0.00 0.00 176.35 175.54 2k9s s SER 33 N -3.00 5.26 0.16 3.68 0.01 -1.26 -3.36 113.70 115.19 2k9s s SER 33 Ca 0.18 1.61 -0.09 0.00 1.31 0.00 0.00 55.95 58.96 2k9s s SER 33 Cb 0.07 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2k9s s SER 33 CO -0.02 -1.52 1.50 1.55 0.41 0.00 0.00 173.24 175.15 2k9s h PRO 34 N -0.77 0.86 -0.19 12.44 0.13 -1.90 -1.27 132.00 141.29 2k9s h PRO 34 Ca -0.44 -0.45 -0.03 0.00 -0.87 0.00 0.00 66.00 64.20 2k9s h PRO 34 Cb 1.22 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k9s h PRO 34 CO 0.56 1.09 -0.01 0.77 -0.23 0.00 0.00 178.00 180.19 2k9s h SER 35 N 0.70 0.35 -0.34 1.44 0.02 -1.98 0.24 113.55 113.97 2k9s h SER 35 Ca 0.06 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2k9s h SER 35 Cb 0.97 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2k9s h SER 35 CO 0.09 0.59 -0.01 0.03 -1.14 0.00 0.00 176.83 176.39 2k9s h ARG 36 N 0.10 0.61 -0.35 3.45 3.08 -1.96 -1.86 114.38 117.45 2k9s h ARG 36 Ca 0.05 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 2k9s h ARG 36 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k9s h ARG 36 CO 0.01 0.74 -0.03 1.25 -1.07 0.00 0.00 179.97 180.87 2k9s h LEU 37 N 0.41 0.64 -1.14 3.04 5.85 -1.21 -2.89 115.31 120.01 2k9s h LEU 37 Ca 0.09 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2k9s h LEU 37 Cb 0.47 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2k9s h LEU 37 CO 0.02 0.81 0.58 0.28 -0.34 0.00 0.00 178.44 179.79 2k9s h SER 38 N 0.45 1.00 -0.11 1.25 0.02 -0.48 0.18 113.55 115.85 2k9s h SER 38 Ca 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2k9s h SER 38 Cb 0.50 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2k9s h SER 38 CO 0.02 0.72 0.06 -0.74 -1.14 0.00 0.00 176.83 175.75 2k9s h HIS 39 N 1.17 0.12 -0.05 3.45 -0.00 -1.18 -0.56 115.15 118.10 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 -0.11 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2k9s h HIS 39 CO -0.00 0.07 -0.58 -0.07 -0.00 0.00 0.00 177.93 177.35 2k9s h LEU 40 N 0.14 0.18 0.03 0.26 3.38 -1.26 -2.48 115.31 115.56 2k9s h LEU 40 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k9s h LEU 40 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k9s h LEU 40 CO -0.02 0.73 -0.01 0.15 0.09 0.00 0.00 178.44 179.37 2k9s h PHE 41 N 0.12 -0.04 0.00 1.13 3.04 -0.28 0.35 116.94 121.26 2k9s h PHE 41 Ca -0.00 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 2k9s h PHE 41 Cb 1.06 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 2k9s h PHE 41 CO 0.01 0.14 -0.26 0.00 -2.02 0.00 0.00 178.31 176.18 2k9s h ARG 42 N -0.21 0.00 0.20 1.11 3.08 -1.12 0.53 114.38 117.97 2k9s h ARG 42 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2k9s h ARG 42 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.28 2k9s h ARG 42 CO 0.01 0.26 -1.39 0.37 -1.07 0.00 0.00 179.97 178.15 2k9s h GLN 43 N 0.00 0.55 0.24 0.04 4.15 -1.14 0.44 115.11 119.39 2k9s h GLN 43 Ca -0.00 -0.86 -0.33 0.00 0.77 0.00 0.00 58.65 58.23 2k9s h GLN 43 Cb 0.58 0.31 0.03 0.00 0.21 0.00 0.00 27.48 28.61 2k9s h GLN 43 CO 0.03 1.40 -1.49 1.96 -1.93 0.00 0.00 178.83 178.81 2k9s h GLN 44 N 0.18 0.52 0.00 1.69 1.08 -0.12 -3.32 115.11 115.15 2k9s h GLN 44 Ca -0.22 -0.88 0.00 0.00 -1.45 0.00 0.00 58.65 56.09 2k9s h GLN 44 Cb 2.07 0.33 0.00 0.00 -0.05 0.00 0.00 27.48 29.83 2k9s h GLN 44 CO 0.26 1.42 -0.77 -0.07 -0.95 0.00 0.00 178.83 178.72 2k9s h LEU 45 N 0.12 0.00 0.00 1.46 -0.00 -0.06 -3.48 115.31 113.35 2k9s h LEU 45 Ca -0.27 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 2k9s h LEU 45 Cb 2.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.80 2k9s h LEU 45 CO 0.26 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.38 2k9s n GLY 46 N 1.28 0.33 3.53 0.83 0.00 0.15 -4.93 105.19 106.39 2k9s n GLY 46 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.86 0.00 0.44 -0.61 -4.36 -1.13 -4.95 121.20 108.73 2k9s s ILE 47 Ca 0.00 -1.51 -0.22 0.00 -0.26 0.00 0.00 60.65 58.66 2k9s s ILE 47 Cb 0.00 -2.54 -0.10 0.00 1.25 0.00 0.00 42.46 41.07 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 -3.16 6.71 0.31 4.36 1.04 -1.26 -3.83 113.70 117.87 2k9s s SER 48 Ca 0.27 1.86 0.05 0.00 0.48 0.00 0.00 55.95 58.61 2k9s s SER 48 Cb -0.01 -2.56 0.68 0.00 0.10 0.00 0.00 66.02 64.23 2k9s s SER 48 CO 0.16 -0.52 1.84 0.58 0.98 0.00 0.00 173.24 176.28 2k9s h VAL 49 N 1.89 0.87 -0.83 5.02 2.07 -1.94 0.72 116.25 124.04 2k9s h VAL 49 Ca -0.49 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2k9s h VAL 49 Cb 1.20 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2k9s h VAL 49 CO 0.61 0.16 0.48 0.25 0.02 0.00 0.00 177.57 179.09 2k9s h LEU 50 N 0.86 1.01 -0.15 2.57 5.85 -2.00 -0.90 115.31 122.55 2k9s h LEU 50 Ca 0.49 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.96 2k9s h LEU 50 Cb 0.62 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k9s h LEU 50 CO -0.25 0.80 -0.58 -1.28 -0.34 0.00 0.00 178.44 176.78 2k9s h SER 51 N 1.15 0.77 -0.95 1.25 0.87 -1.51 -3.14 113.55 111.98 2k9s h SER 51 Ca 0.30 -0.62 0.02 0.00 -1.23 0.00 0.00 61.79 60.26 2k9s h SER 51 Cb -0.02 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 2k9s h SER 51 CO -0.05 1.26 0.63 -0.25 -0.53 0.00 0.00 176.83 177.88 2k9s h TRP 52 N 0.33 1.19 -0.39 2.24 7.01 -0.70 -0.95 115.95 124.67 2k9s h TRP 52 Ca -0.03 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.02 2k9s h TRP 52 Cb 1.22 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 2k9s h TRP 52 CO 0.10 0.72 0.20 -0.09 -2.79 0.00 0.00 178.44 176.59 2k9s h ARG 53 N 1.26 0.40 -0.38 2.65 2.43 -1.18 0.23 114.38 119.80 2k9s h ARG 53 Ca 0.36 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2k9s h ARG 53 Cb -0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2k9s h ARG 53 CO -0.09 0.27 0.02 1.49 -1.51 0.00 0.00 179.97 180.15 2k9s h GLU 54 N 0.42 0.65 -0.62 0.20 4.81 -1.41 -2.79 114.58 115.84 2k9s h GLU 54 Ca 0.16 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2k9s h GLU 54 Cb 0.05 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2k9s h GLU 54 CO -0.10 0.74 0.20 0.22 -0.73 0.00 0.00 179.01 179.34 2k9s h ASP 55 N 0.48 0.86 -0.91 1.04 1.82 -0.86 -2.66 116.42 116.19 2k9s h ASP 55 Ca 0.11 -0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2k9s h ASP 55 Cb 0.43 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 2k9s h ASP 55 CO 0.02 0.81 0.60 -0.61 -1.61 0.00 0.00 179.24 178.45 2k9s h GLN 56 N 0.90 1.19 -0.39 0.28 4.15 -0.37 -1.87 115.11 119.01 2k9s h GLN 56 Ca 0.20 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.58 2k9s h GLN 56 Cb 0.25 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 2k9s h GLN 56 CO -0.01 0.79 0.20 0.00 -1.93 0.00 0.00 178.83 177.88 2k9s h ARG 57 N 1.23 0.39 -0.40 1.69 3.08 -1.21 -0.02 114.38 119.14 2k9s h ARG 57 Ca 0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2k9s h ARG 57 Cb -0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2k9s h ARG 57 CO -0.08 0.26 0.20 0.82 -1.07 0.00 0.00 179.97 180.10 2k9s h ILE 58 N 0.40 1.16 -0.65 2.04 1.08 -1.37 -0.20 117.51 119.97 2k9s h ILE 58 Ca 0.16 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2k9s h ILE 58 Cb 0.07 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 2k9s h ILE 58 CO -0.11 0.17 0.32 -1.28 -0.69 0.00 0.00 178.15 176.57 2k9s h SER 59 N 0.51 0.82 -0.13 1.72 0.87 -0.99 -2.49 113.55 113.86 2k9s h SER 59 Ca 0.14 -0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 2k9s h SER 59 Cb 0.09 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2k9s h SER 59 CO -0.02 0.69 -0.56 -0.61 -0.53 0.00 0.00 176.83 175.80 2k9s h GLN 60 N 0.92 0.73 -0.75 2.24 5.75 -0.65 -3.05 115.11 120.29 2k9s h GLN 60 Ca 0.23 -0.47 0.08 0.00 -0.15 0.00 0.00 58.65 58.34 2k9s h GLN 60 Cb 0.08 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 2k9s h GLN 60 CO -0.03 1.09 0.49 0.00 -2.65 0.00 0.00 178.83 177.73 2k9s h ALA 61 N 0.81 1.76 -0.32 3.38 0.00 -0.59 -1.59 119.26 122.70 2k9s h ALA 61 Ca 0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2k9s h ALA 61 Cb 1.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k9s h ALA 61 CO 0.12 0.10 -0.38 0.87 0.00 0.00 0.00 179.25 179.95 2k9s h LYS 62 N 0.72 0.83 -0.19 0.00 1.57 -1.42 -1.01 116.57 117.07 2k9s h LYS 62 Ca 0.34 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2k9s h LYS 62 Cb 0.38 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2k9s h LYS 62 CO -0.12 1.10 0.07 1.25 -0.57 0.00 0.00 179.45 181.18 2k9s h LEU 63 N 0.61 0.09 -0.50 2.94 7.12 -1.21 0.25 115.31 124.61 2k9s h LEU 63 Ca 0.04 0.02 -0.14 0.00 0.13 0.00 0.00 57.88 57.93 2k9s h LEU 63 Cb 0.98 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 2k9s h LEU 63 CO 0.09 0.08 -0.26 -0.07 -0.13 0.00 0.00 178.44 178.15 2k9s h LEU 64 N 0.17 0.98 -1.49 2.25 3.38 -1.40 0.64 115.31 119.84 2k9s h LEU 64 Ca 0.08 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2k9s h LEU 64 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2k9s h LEU 64 CO -0.08 1.18 -0.21 -0.07 0.09 0.00 0.00 178.44 179.35 2k9s h LEU 65 N 0.80 0.00 0.00 1.67 3.38 -0.86 0.55 115.31 120.86 2k9s h LEU 65 Ca 0.10 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2k9s h LEU 65 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2k9s h LEU 65 CO 0.07 0.21 -1.51 -0.24 0.09 0.00 0.00 178.44 177.06 2k9s n SER 66 N -3.60 0.83 0.01 -0.43 2.88 0.85 -4.00 113.62 110.16 2k9s n SER 66 Ca -0.01 0.37 0.11 0.00 -1.33 0.00 0.00 58.87 58.01 2k9s n SER 66 Cb 0.34 0.15 0.04 0.00 -0.75 0.00 0.00 64.21 63.99 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 -2.91 0.09 -4.39 2.46 5.66 0.19 -4.96 114.28 110.42 2k9s n THR 67 Ca -0.12 -0.14 -0.20 0.00 -3.05 0.00 0.00 64.05 60.54 2k9s n THR 67 Cb 0.89 0.39 -0.09 0.00 -1.55 0.00 0.00 70.33 69.97 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 -3.12 0.57 -0.11 1.09 -4.23 0.19 -5.04 115.64 104.99 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 0.25 0.00 1.34 0.00 0.00 72.50 71.70 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 -0.65 1.58 -1.19 3.99 0.00 -1.26 -4.60 116.66 114.53 2k9s n ARG 69 Ca -0.01 -2.42 -0.33 0.00 -0.00 0.00 0.00 57.85 55.09 2k9s n ARG 69 Cb 0.65 -1.43 0.12 0.00 -0.00 0.00 0.00 32.46 31.80 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 -2.59 1.78 0.93 2.89 -1.94 -1.26 -5.00 119.30 114.11 2k9s s MET 70 Ca 0.27 1.70 -0.12 0.00 -1.71 0.00 0.00 55.69 55.83 2k9s s MET 70 Cb 0.24 -1.80 0.15 0.00 2.01 0.00 0.00 34.83 35.43 2k9s s MET 70 CO 0.03 -2.09 1.09 -1.25 -0.01 0.00 0.00 175.02 172.79 2k9s s PRO 71 N -4.16 1.00 0.44 2.03 0.04 -1.26 -4.82 135.00 128.27 2k9s s PRO 71 Ca 0.72 0.73 0.13 0.00 0.04 0.00 0.00 61.00 62.62 2k9s s PRO 71 Cb -0.27 -1.79 0.97 0.00 0.04 0.00 0.00 34.50 33.45 2k9s s PRO 71 CO 0.50 -2.40 2.00 0.82 0.04 0.00 0.00 177.00 177.96 2k9s h ILE 72 N -1.66 1.12 -0.18 0.56 2.04 -1.99 -2.05 117.51 115.36 2k9s h ILE 72 Ca -0.51 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2k9s h ILE 72 Cb 1.30 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2k9s h ILE 72 CO 0.55 0.16 0.02 0.00 0.00 0.00 0.00 178.15 178.89 2k9s h ALA 73 N 1.79 0.24 0.02 1.87 0.00 -1.93 -0.16 119.26 121.09 2k9s h ALA 73 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 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 -0.08 -0.01 1.15 0.00 0.00 0.00 179.25 180.32 2k9s h THR 74 N 0.08 1.16 -1.00 0.00 2.02 -1.86 -3.03 112.91 110.28 2k9s h THR 74 Ca 0.05 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.72 2k9s h THR 74 Cb 0.33 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 2k9s h THR 74 CO 0.00 0.14 0.66 0.58 0.37 0.00 0.00 175.52 177.27 2k9s h VAL 75 N -0.25 1.24 -0.56 3.16 2.07 -1.40 -1.95 116.25 118.56 2k9s h VAL 75 Ca -0.00 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.18 2k9s h VAL 75 Cb 0.24 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 2k9s h VAL 75 CO 0.00 0.24 0.38 1.23 0.02 0.00 0.00 177.57 179.45 2k9s h GLY 76 N 1.34 0.35 1.68 2.17 0.00 -0.90 -0.21 103.07 107.50 2k9s h GLY 76 Ca 0.37 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 2k9s h GLY 76 CO -0.09 0.05 -0.50 3.21 0.00 0.00 0.00 176.54 179.21 2k9s h ARG 77 N 0.23 0.34 -0.13 4.80 3.08 -0.74 0.38 114.38 122.34 2k9s h ARG 77 Ca 0.26 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2k9s h ARG 77 Cb 0.72 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2k9s h ARG 77 CO -0.05 0.76 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.61 2k9s h ASN 78 N 0.27 0.18 -0.38 7.04 2.35 -0.99 -1.14 115.58 122.91 2k9s h ASN 78 Ca 0.01 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2k9s h ASN 78 Cb 0.97 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2k9s h ASN 78 CO 0.08 0.30 0.00 1.33 -1.65 0.00 0.00 177.43 177.50 2k9s n VAL 79 N -4.33 0.83 -1.99 2.81 0.24 -1.11 -4.86 118.33 109.93 2k9s n VAL 79 Ca -0.01 -0.61 -0.07 0.00 -2.04 0.00 0.00 64.34 61.62 2k9s n VAL 79 Cb 0.23 0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.66 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 0.90 0.21 3.04 7.63 0.00 -0.43 -4.93 105.19 111.60 2k9s n GLY 80 Ca 0.14 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.33 2.52 0.05 1.61 0.08 0.13 -4.99 117.98 115.06 2k9s s PHE 81 Ca 0.00 -1.58 0.05 0.00 0.12 0.00 0.00 56.93 55.52 2k9s s PHE 81 Cb 0.00 -1.72 -0.23 0.00 -0.57 0.00 0.00 43.02 40.50 2k9s s PHE 81 CO 0.00 -0.75 1.04 -0.44 -0.10 0.00 0.00 175.22 174.97 2k9s h ASP 82 N 7.97 0.11 -3.33 1.36 3.32 -1.92 -2.30 116.42 121.63 2k9s h ASP 82 Ca -0.34 -0.14 -0.59 0.00 0.02 0.00 0.00 57.03 55.98 2k9s h ASP 82 Cb 1.11 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.54 2k9s h ASP 82 CO 0.53 1.12 0.55 -1.81 -1.72 0.00 0.00 179.24 177.91 2k9s s ASP 83 N -6.65 6.81 0.20 6.45 1.01 -1.26 -4.92 116.67 118.31 2k9s s ASP 83 Ca -0.03 0.92 -0.09 0.00 0.71 0.00 0.00 52.55 54.06 2k9s s ASP 83 Cb 0.09 -2.46 0.13 0.00 1.01 0.00 0.00 42.92 41.69 2k9s s ASP 83 CO 0.83 -0.65 1.75 -0.61 0.21 0.00 0.00 175.17 176.71 2k9s h GLN 84 N 7.92 1.11 -0.39 8.23 4.15 -1.90 -2.48 115.11 131.76 2k9s h GLN 84 Ca -0.23 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 58.87 2k9s h GLN 84 Cb 1.08 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2k9s h GLN 84 CO 0.92 0.92 -0.22 -0.07 -1.93 0.00 0.00 178.83 178.46 2k9s h LEU 85 N 1.06 0.78 -0.14 -2.39 4.07 -1.97 -2.53 115.31 114.19 2k9s h LEU 85 Ca 0.24 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2k9s h LEU 85 Cb 0.24 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2k9s h LEU 85 CO -0.02 0.98 0.09 0.22 -1.08 0.00 0.00 178.44 178.63 2k9s h TYR 86 N 0.67 0.18 -0.43 1.13 3.20 -1.90 0.24 116.97 120.07 2k9s h TYR 86 Ca 0.09 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2k9s h TYR 86 Cb 0.72 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 2k9s h TYR 86 CO 0.04 0.12 0.26 0.35 -1.64 0.00 0.00 178.16 177.28 2k9s h PHE 87 N 0.19 0.56 -0.41 -3.82 3.57 -1.40 -1.21 116.94 114.42 2k9s h PHE 87 Ca 0.05 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2k9s h PHE 87 Cb -0.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2k9s h PHE 87 CO -0.07 0.40 -0.07 0.66 -2.23 0.00 0.00 178.31 177.00 2k9s h SER 88 N 0.56 0.69 0.11 0.41 4.64 -1.23 0.28 113.55 119.01 2k9s h SER 88 Ca 0.15 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2k9s h SER 88 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2k9s h SER 88 CO -0.03 0.80 -0.05 0.03 -0.87 0.00 0.00 176.83 176.71 2k9s h ARG 89 N 0.65 -0.14 -0.32 4.77 3.08 -0.11 0.29 114.38 122.60 2k9s h ARG 89 Ca 0.12 0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 2k9s h ARG 89 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2k9s h ARG 89 CO 0.03 0.09 -0.43 -0.24 -1.07 0.00 0.00 179.97 178.35 2k9s h VAL 90 N -0.35 1.28 -0.38 2.04 3.04 -1.16 -3.12 116.25 117.60 2k9s h VAL 90 Ca -0.01 -1.61 -0.09 0.00 -1.01 0.00 0.00 66.70 63.98 2k9s h VAL 90 Cb 0.29 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 2k9s h VAL 90 CO 0.02 0.53 -0.12 0.15 -1.01 0.00 0.00 177.57 177.14 2k9s h PHE 91 N 0.65 0.73 -0.88 3.17 3.04 -0.42 -2.35 116.94 120.88 2k9s h PHE 91 Ca 0.04 -0.13 0.06 0.00 3.98 0.00 0.00 57.97 61.92 2k9s h PHE 91 Cb 1.03 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.29 2k9s h PHE 91 CO 0.07 0.76 0.55 -0.22 -2.02 0.00 0.00 178.31 177.45 2k9s h LYS 92 N 0.61 0.98 0.00 1.11 3.11 -0.36 -1.11 116.57 120.91 2k9s h LYS 92 Ca 0.11 -0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 57.80 2k9s h LYS 92 Cb 0.56 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2k9s h LYS 92 CO 0.04 0.65 -0.44 0.87 -2.81 0.00 0.00 179.45 177.75 2k9s h LYS 93 N 1.01 0.00 -0.20 1.90 1.57 -1.47 0.76 116.57 120.14 2k9s h LYS 93 Ca 0.38 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.20 2k9s h LYS 93 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2k9s h LYS 93 CO -0.17 0.44 -0.04 0.00 -0.57 0.00 0.00 179.45 179.11 2k9s n THR 95 N -5.19 0.00 -0.06 0.00 -2.24 -1.14 -4.98 114.28 100.67 2k9s n THR 95 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2k9s n THR 95 Cb 0.12 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.26 0.60 3.00 3.38 0.00 0.24 -5.04 105.19 108.62 2k9s n GLY 96 Ca 0.03 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 -2.26 0.34 0.91 4.61 0.00 0.48 -4.82 121.76 121.02 2k9s s ALA 97 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 2k9s s ALA 97 Cb 0.00 0.05 0.14 0.00 0.00 0.00 0.00 23.12 23.30 2k9s s ALA 97 CO 0.00 -0.04 1.10 -1.54 0.00 0.00 0.00 175.76 175.28 2k9s s SER 98 N -1.11 3.16 0.29 0.00 1.04 -1.26 -4.12 113.70 111.70 2k9s s SER 98 Ca -0.09 1.85 0.07 0.00 0.48 0.00 0.00 55.95 58.27 2k9s s SER 98 Cb -0.07 -2.43 0.44 0.00 0.10 0.00 0.00 66.02 64.05 2k9s s SER 98 CO -0.00 -2.89 1.68 1.55 0.98 0.00 0.00 173.24 174.55 2k9s h PRO 99 N -1.72 0.18 -0.24 4.02 0.13 -1.91 -2.60 132.00 129.85 2k9s h PRO 99 Ca -0.47 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.61 -0.25 1.03 -0.23 0.00 0.00 178.00 179.64 2k9s h SER 100 N 0.14 0.47 -0.02 1.44 0.87 -1.99 -1.42 113.55 113.05 2k9s h SER 100 Ca 0.01 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 2k9s h SER 100 Cb 0.89 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2k9s h SER 100 CO 0.07 0.72 -0.22 -0.08 -0.53 0.00 0.00 176.83 176.79 2k9s h GLU 101 N 0.41 0.18 -0.57 2.24 4.57 -1.90 -2.83 114.58 116.68 2k9s h GLU 101 Ca 0.06 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2k9s h GLU 101 Cb 0.66 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 2k9s h GLU 101 CO 0.05 0.87 0.37 0.35 -1.18 0.00 0.00 179.01 179.47 2k9s h PHE 102 N -0.44 0.70 -0.52 0.92 3.04 -1.44 -2.12 116.94 117.08 2k9s h PHE 102 Ca -0.02 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2k9s h PHE 102 Cb 0.93 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 2k9s h PHE 102 CO 0.16 0.43 0.26 -0.09 -2.02 0.00 0.00 178.31 177.06 2k9s h ARG 103 N 0.75 0.71 -0.04 1.11 2.43 -1.34 -1.68 114.38 116.32 2k9s h ARG 103 Ca 0.21 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2k9s h ARG 103 Cb -0.06 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2k9s h ARG 103 CO -0.06 0.54 -0.05 0.00 -1.51 0.00 0.00 179.97 178.89 2k9s h ALA 104 N 1.57 1.85 0.00 2.80 0.00 -1.12 -3.46 119.26 120.90 2k9s h ALA 104 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k9s h ALA 104 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k9s h ALA 104 CO -0.03 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2k9s n GLY 105 N -1.32 1.85 3.64 0.00 0.00 -0.63 -5.01 105.19 103.72 2k9s n GLY 105 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32