#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g n LEU 2 N 0.00 0.79 -4.77 1.04 4.32 -1.26 -4.99 117.00 112.13 2e0g n LEU 2 Ca 0.00 -4.83 -0.30 0.00 -0.02 0.00 0.00 56.01 50.86 2e0g n LEU 2 Cb 0.00 0.43 0.20 0.00 -1.62 0.00 0.00 43.42 42.43 2e0g n LEU 2 CO 0.00 2.08 0.75 -0.44 -1.22 0.00 0.00 177.39 178.56 2e0g s SER 3 N -1.45 2.27 0.05 -1.43 0.01 -1.26 -4.75 113.70 107.15 2e0g s SER 3 Ca 0.36 0.52 -0.21 0.00 1.31 0.00 0.00 55.95 57.93 2e0g s SER 3 Cb 0.18 -0.73 -0.10 0.00 0.21 0.00 0.00 66.02 65.58 2e0g s SER 3 CO -0.09 -3.28 1.33 -0.07 0.41 0.00 0.00 173.24 171.54 2e0g h LEU 4 N -2.01 -0.88 -0.14 2.44 4.07 -1.99 -1.07 115.31 115.72 2e0g h LEU 4 Ca -0.45 0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.61 2e0g h LEU 4 Cb 1.27 0.30 -0.05 0.00 1.08 0.00 0.00 40.66 43.27 2e0g h LEU 4 CO 0.40 -0.38 -0.36 -0.25 -1.08 0.00 0.00 178.44 176.77 2e0g h TRP 5 N -0.56 -1.09 -0.96 1.13 7.01 -1.98 0.11 115.95 119.60 2e0g h TRP 5 Ca -0.03 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.15 2e0g h TRP 5 Cb 0.51 0.49 -0.15 0.00 -2.10 0.00 0.00 29.16 27.91 2e0g h TRP 5 CO -0.25 -0.35 -0.44 1.96 -2.79 0.00 0.00 178.44 176.58 2e0g h GLN 6 N -0.35 -0.02 -0.31 2.65 1.08 -1.92 0.28 115.11 116.53 2e0g h GLN 6 Ca 0.03 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2e0g h GLN 6 Cb 0.43 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 2e0g h GLN 6 CO -0.32 -0.01 0.07 0.37 -0.95 0.00 0.00 178.83 177.99 2e0g h GLN 7 N -0.02 0.18 -0.90 1.46 4.15 -0.49 -1.10 115.11 118.40 2e0g h GLN 7 Ca 0.29 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.86 2e0g h GLN 7 Cb 0.55 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.10 2e0g h GLN 7 CO -0.95 0.12 0.49 0.00 -1.93 0.00 0.00 178.83 176.55 2e0g h LEU 9 N 0.67 -0.55 -1.06 0.00 3.38 -0.31 -1.77 115.31 115.66 2e0g h LEU 9 Ca 0.50 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.55 2e0g h LEU 9 Cb 0.72 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 2e0g h LEU 9 CO -0.37 -0.16 0.62 0.00 0.09 0.00 0.00 178.44 178.62 2e0g h ALA 10 N -0.81 1.65 -0.55 1.53 0.00 -0.81 0.29 119.26 120.55 2e0g h ALA 10 Ca -0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2e0g h ALA 10 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2e0g h ALA 10 CO 0.11 0.05 0.07 -0.09 0.00 0.00 0.00 179.25 179.39 2e0g h ARG 11 N 0.85 0.93 -0.15 0.00 1.12 -0.44 0.31 114.38 117.00 2e0g h ARG 11 Ca 0.52 -0.26 -0.16 0.00 -1.11 0.00 0.00 59.98 58.97 2e0g h ARG 11 Cb 0.71 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 2e0g h ARG 11 CO -0.30 0.91 -0.59 1.25 -3.11 0.00 0.00 179.97 178.13 2e0g h LEU 12 N 0.81 0.54 -0.01 3.80 6.46 -0.20 0.24 115.31 126.95 2e0g h LEU 12 Ca 0.16 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2e0g h LEU 12 Cb 0.44 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 2e0g h LEU 12 CO 0.02 1.01 0.00 -0.61 -0.62 0.00 0.00 178.44 178.23 2e0g h GLN 13 N 0.36 0.00 0.10 1.25 5.75 -0.32 -3.09 115.11 119.16 2e0g h GLN 13 Ca -0.00 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 2e0g h GLN 13 Cb 1.13 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 2e0g h GLN 13 CO 0.11 0.00 -2.07 -0.25 -2.65 0.00 0.00 178.83 173.97 2e0g n ASP 14 N -3.10 2.02 -0.06 -0.69 9.92 0.11 -4.21 116.55 120.55 2e0g n ASP 14 Ca 0.04 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2e0g n ASP 14 Cb 0.53 -0.73 0.29 0.00 -0.64 0.00 0.00 41.12 40.56 2e0g n ASP 14 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2e0g h GLU 15 N 0.06 0.66 -3.12 -1.24 4.57 -0.60 -3.45 114.58 111.45 2e0g h GLU 15 Ca -0.44 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 57.59 2e0g h GLU 15 Cb 2.02 -0.12 -0.13 0.00 -0.16 0.00 0.00 28.75 30.36 2e0g h GLU 15 CO 0.06 0.57 0.04 -0.51 -1.18 0.00 0.00 179.01 177.99 2e0g s LEU 16 N -9.31 0.00 0.06 1.64 1.43 -1.17 -5.03 118.68 106.31 2e0g s LEU 16 Ca -0.09 -0.10 0.16 0.00 -1.03 0.00 0.00 54.13 53.08 2e0g s LEU 16 Cb 0.16 2.13 0.70 0.00 0.03 0.00 0.00 46.19 49.21 2e0g s LEU 16 CO 0.77 -0.85 1.52 -0.81 0.23 0.00 0.00 176.35 177.20 2e0g n PRO 17 N -0.11 0.05 -1.47 1.29 -0.04 -1.26 -4.26 135.00 129.21 2e0g n PRO 17 Ca -0.17 0.30 -0.44 0.00 -0.04 0.00 0.00 63.50 63.15 2e0g n PRO 17 Cb 0.63 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2e0g n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g n ALA 18 N -1.57 0.49 0.91 0.55 0.00 -1.26 -4.74 120.51 114.89 2e0g n ALA 18 Ca 0.03 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.27 2e0g n ALA 18 Cb 0.18 -2.47 0.27 0.00 0.00 0.00 0.00 19.45 17.43 2e0g n ALA 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2e0g n THR 19 N 7.42 0.07 -0.27 0.00 -1.04 -1.26 -4.15 114.28 115.05 2e0g n THR 19 Ca 0.55 -0.06 0.09 0.00 -2.04 0.00 0.00 64.05 62.59 2e0g n THR 19 Cb 0.15 0.10 0.23 0.00 -1.82 0.00 0.00 70.33 68.99 2e0g n THR 19 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2e0g h GLU 20 N 0.00 0.27 -0.67 -2.82 5.08 -2.00 0.56 114.58 115.01 2e0g h GLU 20 Ca 0.00 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 2e0g h GLU 20 Cb 0.55 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2e0g h GLU 20 CO 0.00 0.18 0.48 0.27 -1.00 0.00 0.00 179.01 178.93 2e0g h PHE 21 N 0.28 0.04 0.00 4.33 -0.00 -1.95 0.64 116.94 120.28 2e0g h PHE 21 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.45 2e0g h PHE 21 Cb 0.88 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.81 2e0g h PHE 21 CO -0.25 0.01 0.00 0.66 -0.00 0.00 0.00 178.31 178.74 2e0g h SER 22 N 0.04 0.00 0.19 -0.68 4.64 -0.14 -2.49 113.55 115.10 2e0g h SER 22 Ca 0.32 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.30 2e0g h SER 22 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 2e0g h SER 22 CO -0.02 0.00 -2.12 0.23 -0.87 0.00 0.00 176.83 174.05 2e0g n MET 23 N -2.61 0.67 -1.14 4.77 2.81 0.22 -2.94 117.12 118.89 2e0g n MET 23 Ca 0.02 0.12 -0.16 0.00 -1.81 0.00 0.00 57.70 55.86 2e0g n MET 23 Cb 0.30 -1.63 0.23 0.00 -0.71 0.00 0.00 33.22 31.41 2e0g n MET 23 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2e0g n TRP 24 N -2.88 2.78 0.00 2.03 7.02 -0.65 -4.38 117.44 121.35 2e0g n TRP 24 Ca -0.27 -1.59 0.00 0.00 -1.02 0.00 0.00 57.50 54.62 2e0g n TRP 24 Cb 1.11 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 2e0g n TRP 24 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2e0g n ILE 25 N -0.75 0.00 -0.02 -0.99 2.08 -0.95 -4.82 119.36 113.91 2e0g n ILE 25 Ca 0.52 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.70 2e0g n ILE 25 Cb 1.55 -0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 40.36 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2e0g h ARG 26 N 0.00 -0.49 0.00 0.38 3.08 -1.72 0.17 114.38 115.80 2e0g h ARG 26 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2e0g h ARG 26 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2e0g h ARG 26 CO 0.00 -0.33 0.00 -0.35 -1.07 0.00 0.00 179.97 178.22 2e0g n PRO 27 N -5.43 0.15 -3.25 0.04 -0.04 -1.26 -4.75 135.00 120.46 2e0g n PRO 27 Ca -0.04 0.18 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 2e0g n PRO 27 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2e0g n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e0g s LEU 28 N -2.68 4.09 -0.36 1.53 1.43 0.60 -4.86 118.68 118.43 2e0g s LEU 28 Ca 0.12 1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 54.19 2e0g s LEU 28 Cb 0.10 -3.85 0.03 0.00 0.03 0.00 0.00 46.19 42.50 2e0g s LEU 28 CO 0.23 -0.17 0.16 -1.58 0.23 0.00 0.00 176.35 175.23 2e0g s GLN 29 N -3.04 2.72 0.40 1.70 -0.44 -0.07 -4.84 119.66 116.08 2e0g s GLN 29 Ca 0.50 -1.13 -0.14 0.00 -2.50 0.00 0.00 55.36 52.09 2e0g s GLN 29 Cb -0.11 -3.60 -0.08 0.00 -1.64 0.00 0.00 33.01 27.58 2e0g s GLN 29 CO 0.21 -0.69 0.81 0.00 0.50 0.00 0.00 175.29 176.13 2e0g s ALA 30 N 1.48 3.27 -0.15 1.58 0.00 -1.26 0.17 121.76 126.85 2e0g s ALA 30 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 2e0g s ALA 30 Cb -0.19 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.17 2e0g s ALA 30 CO 0.05 0.08 0.31 -2.00 0.00 0.00 0.00 175.76 174.20 2e0g s GLU 31 N -3.55 0.22 -0.01 0.00 2.12 0.14 -4.96 118.70 112.65 2e0g s GLU 31 Ca 0.54 0.81 -0.27 0.00 0.36 0.00 0.00 54.97 56.41 2e0g s GLU 31 Cb -0.10 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 2e0g s GLU 31 CO 0.25 -0.26 0.83 -0.51 -0.54 0.00 0.00 175.26 175.04 2e0g s LEU 32 N 2.29 4.37 -0.28 2.70 1.43 -1.26 -1.21 118.68 126.71 2e0g s LEU 32 Ca -0.01 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.64 2e0g s LEU 32 Cb -0.12 -3.32 0.62 0.00 0.03 0.00 0.00 46.19 43.40 2e0g s LEU 32 CO -0.10 -0.15 1.61 -1.20 0.23 0.00 0.00 176.35 176.74 2e0g n SER 33 N 3.63 3.91 0.00 2.29 7.64 0.63 -4.89 113.62 126.83 2e0g n SER 33 Ca 0.02 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.58 2e0g n SER 33 Cb 0.51 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2e0g n SER 33 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2e0g n ASP 34 N -0.56 0.00 -0.09 6.43 2.03 -1.26 -4.34 116.55 118.76 2e0g n ASP 34 Ca 0.34 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.65 2e0g n ASP 34 Cb 1.16 -0.25 -0.00 0.00 -0.72 0.00 0.00 41.12 41.31 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2e0g n ASN 35 N 0.00 -0.00 -3.62 1.67 4.13 -1.26 -5.02 115.26 111.15 2e0g n ASN 35 Ca 0.00 -0.17 -0.04 0.00 1.68 0.00 0.00 54.58 56.06 2e0g n ASN 35 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2e0g s THR 36 N 0.00 -0.40 -0.49 3.41 2.01 -1.26 -1.73 115.64 117.18 2e0g s THR 36 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 2e0g s THR 36 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 2e0g s THR 36 CO 0.00 0.00 0.47 -0.22 -0.69 0.00 0.00 174.62 174.18 2e0g s LEU 37 N 2.12 5.52 0.00 4.42 2.96 0.11 -0.27 118.68 133.54 2e0g s LEU 37 Ca -0.08 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 52.47 2e0g s LEU 37 Cb -0.07 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 2e0g s LEU 37 CO -0.19 -0.74 0.29 0.00 -1.32 0.00 0.00 176.35 174.39 2e0g s ALA 38 N 1.91 3.82 -0.04 5.97 0.00 -0.35 0.01 121.76 133.08 2e0g s ALA 38 Ca 0.07 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2e0g s ALA 38 Cb -0.24 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 2e0g s ALA 38 CO 0.07 0.61 -0.21 -0.51 0.00 0.00 0.00 175.76 175.73 2e0g s LEU 39 N -1.63 2.32 -0.24 0.00 2.01 0.14 0.25 118.68 121.53 2e0g s LEU 39 Ca 0.27 -0.38 -0.05 0.00 0.01 0.00 0.00 54.13 53.98 2e0g s LEU 39 Cb -0.14 -1.43 -0.00 0.00 0.01 0.00 0.00 46.19 44.63 2e0g s LEU 39 CO 0.15 0.31 -0.01 -0.31 1.01 0.00 0.00 176.35 177.50 2e0g s TYR 40 N -0.52 3.03 0.29 0.29 1.51 0.13 -0.75 117.35 121.32 2e0g s TYR 40 Ca 0.07 -0.95 0.10 0.00 -1.01 0.00 0.00 57.07 55.28 2e0g s TYR 40 Cb -0.11 -2.15 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2e0g s TYR 40 CO 0.01 -0.55 -0.03 0.00 -1.11 0.00 0.00 175.55 173.87 2e0g s ALA 41 N 1.48 3.11 -0.76 3.71 0.00 -0.14 -0.90 121.76 128.26 2e0g s ALA 41 Ca 0.05 -1.77 0.18 0.00 0.00 0.00 0.00 51.96 50.42 2e0g s ALA 41 Cb -0.15 -0.59 0.78 0.00 0.00 0.00 0.00 23.12 23.15 2e0g s ALA 41 CO -0.01 0.21 1.57 -0.35 0.00 0.00 0.00 175.76 177.18 2e0g n PRO 42 N -0.87 0.09 -3.71 0.00 -0.04 -1.26 0.54 135.00 129.74 2e0g n PRO 42 Ca -0.05 0.33 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2e0g n PRO 42 Cb 0.60 -1.67 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 2e0g n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2e0g s ASN 43 N -3.56 -0.33 0.39 3.54 6.03 -1.26 -4.43 114.94 115.32 2e0g s ASN 43 Ca 0.06 -0.39 0.17 0.00 -1.03 0.00 0.00 52.86 51.67 2e0g s ASN 43 Cb 0.09 0.63 0.78 0.00 -3.03 0.00 0.00 41.25 39.73 2e0g s ASN 43 CO 0.32 -1.13 1.80 -0.09 -2.03 0.00 0.00 177.10 175.97 2e0g h ARG 44 N 2.00 0.00 -0.22 3.55 9.65 -1.92 -3.21 114.38 124.23 2e0g h ARG 44 Ca -0.24 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.70 2e0g h ARG 44 Cb 1.26 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.77 2e0g h ARG 44 CO 0.28 0.36 -0.35 0.35 2.80 0.00 0.00 179.97 183.41 2e0g h PHE 45 N 0.00 -0.97 -0.27 2.20 3.57 -1.99 -1.09 116.94 118.38 2e0g h PHE 45 Ca -0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2e0g h PHE 45 Cb 0.75 0.46 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 2e0g h PHE 45 CO 0.00 -0.41 0.03 0.28 -2.23 0.00 0.00 178.31 175.98 2e0g h VAL 46 N -0.37 0.84 -0.11 1.41 2.07 -1.98 -2.02 116.25 116.09 2e0g h VAL 46 Ca 0.12 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2e0g h VAL 46 Cb 0.56 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2e0g h VAL 46 CO -0.43 0.02 -0.49 -0.07 0.02 0.00 0.00 177.57 176.63 2e0g h LEU 47 N 0.12 -1.54 -0.51 2.57 3.38 -1.44 0.29 115.31 118.18 2e0g h LEU 47 Ca 0.13 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.39 2e0g h LEU 47 Cb 0.15 0.61 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 2e0g h LEU 47 CO -0.19 -0.47 -0.03 -0.78 0.09 0.00 0.00 178.44 177.06 2e0g h ASP 48 N -0.56 -0.27 -0.11 -0.43 3.58 -1.03 0.74 116.42 118.34 2e0g h ASP 48 Ca 0.05 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.65 2e0g h ASP 48 Cb 0.67 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 2e0g h ASP 48 CO -0.41 -0.10 -0.00 -0.25 -2.88 0.00 0.00 179.24 175.60 2e0g h TRP 49 N 0.09 -0.01 -0.29 0.28 2.91 -0.58 -1.96 115.95 116.39 2e0g h TRP 49 Ca 0.26 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.32 2e0g h TRP 49 Cb 0.40 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.03 2e0g h TRP 49 CO -0.34 -0.02 0.08 0.28 -1.03 0.00 0.00 178.44 177.41 2e0g h VAL 50 N 0.03 0.89 0.00 2.65 2.07 0.42 0.17 116.25 122.49 2e0g h VAL 50 Ca 0.05 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2e0g h VAL 50 Cb 0.06 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2e0g h VAL 50 CO -0.09 0.04 0.00 -1.14 0.02 0.00 0.00 177.57 176.40 2e0g n ARG 51 N -5.06 0.13 0.06 1.57 3.00 0.17 -0.56 116.66 115.98 2e0g n ARG 51 Ca -0.00 0.56 -0.08 0.00 -0.00 0.00 0.00 57.85 58.33 2e0g n ARG 51 Cb 0.11 -1.87 -0.05 0.00 0.00 0.00 0.00 32.46 30.65 2e0g n ARG 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2e0g h ASP 52 N 0.00 -0.22 0.00 6.15 3.58 -0.18 -3.36 116.42 122.39 2e0g h ASP 52 Ca 0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2e0g h ASP 52 Cb 0.10 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2e0g h ASP 52 CO 0.00 0.31 -0.63 2.29 -2.88 0.00 0.00 179.24 178.33 2e0g n LYS 53 N -4.94 0.34 -0.31 0.28 0.00 -1.09 -4.36 118.16 108.08 2e0g n LYS 53 Ca -0.06 0.13 -0.01 0.00 -0.00 0.00 0.00 58.31 58.38 2e0g n LYS 53 Cb 0.20 -1.08 0.03 0.00 -0.00 0.00 0.00 35.03 34.18 2e0g n LYS 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2e0g n TYR 54 N -3.77 0.03 -0.05 5.58 9.36 0.28 -0.81 117.16 127.78 2e0g n TYR 54 Ca -0.09 1.00 -0.06 0.00 3.32 0.00 0.00 57.90 62.08 2e0g n TYR 54 Cb 0.33 -0.81 -0.04 0.00 -0.63 0.00 0.00 39.34 38.19 2e0g n TYR 54 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2e0g h LEU 55 N 0.00 -0.76 -0.98 2.98 5.85 -1.55 0.18 115.31 121.03 2e0g h LEU 55 Ca 0.28 0.10 0.19 0.00 0.84 0.00 0.00 57.88 59.29 2e0g h LEU 55 Cb 0.49 0.31 -0.18 0.00 0.37 0.00 0.00 40.66 41.65 2e0g h LEU 55 CO -0.81 -0.17 -0.27 0.78 -0.34 0.00 0.00 178.44 177.63 2e0g h ASN 56 N -0.18 -1.01 0.93 1.25 -0.26 -1.17 0.35 115.58 115.49 2e0g h ASN 56 Ca 0.03 0.30 -0.04 0.00 -0.56 0.00 0.00 56.30 56.02 2e0g h ASN 56 Cb 0.25 0.64 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2e0g h ASN 56 CO -0.23 -0.32 -0.49 0.78 -1.06 0.00 0.00 177.43 176.11 2e0g h ASN 57 N -0.00 -1.18 -0.25 5.81 4.21 -0.73 -1.83 115.58 121.61 2e0g h ASN 57 Ca 0.45 0.05 0.06 0.00 1.21 0.00 0.00 56.30 58.07 2e0g h ASN 57 Cb 0.69 0.32 -0.08 0.00 -1.12 0.00 0.00 38.32 38.14 2e0g h ASN 57 CO -1.01 -0.80 -0.35 0.40 -1.29 0.00 0.00 177.43 174.39 2e0g h ILE 58 N -1.30 0.23 -0.42 2.81 1.08 0.10 -1.92 117.51 118.09 2e0g h ILE 58 Ca -0.13 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.42 2e0g h ILE 58 Cb 1.01 0.23 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 2e0g h ILE 58 CO 0.18 0.00 -0.40 0.78 -0.69 0.00 0.00 178.15 178.02 2e0g h ASN 59 N -0.35 -1.34 -0.98 1.72 2.35 -0.35 0.27 115.58 116.90 2e0g h ASN 59 Ca 0.12 0.21 0.20 0.00 -0.55 0.00 0.00 56.30 56.29 2e0g h ASN 59 Cb 0.56 0.60 -0.09 0.00 0.05 0.00 0.00 38.32 39.44 2e0g h ASN 59 CO -0.44 -0.35 0.62 1.23 -1.65 0.00 0.00 177.43 176.83 2e0g h GLY 60 N -0.30 1.38 0.36 2.83 0.00 -0.70 -1.54 103.07 105.10 2e0g h GLY 60 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2e0g h GLY 60 CO -0.58 -0.05 -0.00 -2.00 0.00 0.00 0.00 176.54 173.91 2e0g h LEU 61 N 0.59 -0.01 -0.51 3.11 6.46 -0.07 -1.89 115.31 122.99 2e0g h LEU 61 Ca 0.54 -0.62 0.10 0.00 -0.12 0.00 0.00 57.88 57.78 2e0g h LEU 61 Cb 1.08 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.91 2e0g h LEU 61 CO -0.30 0.62 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.88 2e0g h LEU 62 N -0.65 -0.71 -0.24 2.25 3.38 0.21 0.73 115.31 120.29 2e0g h LEU 62 Ca -0.00 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2e0g h LEU 62 Cb 0.63 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2e0g h LEU 62 CO 0.00 -0.23 0.03 0.74 0.09 0.00 0.00 178.44 179.07 2e0g h THR 63 N -0.09 1.23 0.00 0.22 2.02 -1.39 -1.82 112.91 113.08 2e0g h THR 63 Ca 0.24 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2e0g h THR 63 Cb 0.46 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2e0g h THR 63 CO -0.57 0.25 -0.03 -1.28 0.37 0.00 0.00 175.52 174.26 2e0g h SER 64 N 0.20 0.00 0.11 4.18 0.87 -0.44 0.28 113.55 118.75 2e0g h SER 64 Ca 0.07 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 2e0g h SER 64 Cb 0.33 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2e0g h SER 64 CO 0.01 0.03 -0.68 0.15 -0.53 0.00 0.00 176.83 175.80 2e0g h PHE 65 N 0.00 0.43 0.00 2.24 3.57 0.89 -3.45 116.94 120.61 2e0g h PHE 65 Ca -0.00 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2e0g h PHE 65 Cb 0.24 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2e0g h PHE 65 CO 0.00 1.26 -0.24 0.00 -2.23 0.00 0.00 178.31 177.10 2e0g n GLY 67 N 1.87 -1.14 3.42 0.00 0.00 0.96 -4.64 105.19 105.67 2e0g n GLY 67 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2e0g n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e0g n ALA 68 N 0.26 0.00 -0.00 4.61 0.00 -1.26 -4.70 120.51 119.42 2e0g n ALA 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2e0g n ALA 68 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 2e0g n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e0g n ASP 69 N 0.00 3.46 -4.73 0.00 2.03 -1.26 -5.04 116.55 111.01 2e0g n ASP 69 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2e0g n ASP 69 Cb 0.00 1.27 0.13 0.00 -0.72 0.00 0.00 41.12 41.80 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0g s ALA 70 N -2.45 1.68 1.25 -1.67 0.00 -1.26 -5.02 121.76 114.29 2e0g s ALA 70 Ca -0.03 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 2e0g s ALA 70 Cb 0.04 -3.21 0.31 0.00 0.00 0.00 0.00 23.12 20.26 2e0g s ALA 70 CO 0.28 -2.25 1.11 -1.25 0.00 0.00 0.00 175.76 173.66 2e0g s PRO 71 N -4.92 -1.60 0.51 0.00 0.04 -1.26 -5.00 135.00 122.76 2e0g s PRO 71 Ca 0.63 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.49 2e0g s PRO 71 Cb -0.18 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2e0g s PRO 71 CO 0.57 -3.94 0.08 -0.65 0.04 0.00 0.00 177.00 173.10 2e0g s GLN 72 N -5.51 2.19 0.04 4.56 -0.21 -0.70 -4.92 119.66 115.11 2e0g s GLN 72 Ca 0.72 -2.29 0.03 0.00 0.02 0.00 0.00 55.36 53.84 2e0g s GLN 72 Cb -0.07 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.24 2e0g s GLN 72 CO 0.56 -0.38 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.82 2e0g s LEU 73 N -3.95 3.43 0.05 2.90 1.43 -1.26 0.04 118.68 121.32 2e0g s LEU 73 Ca 0.14 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2e0g s LEU 73 Cb 0.01 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2e0g s LEU 73 CO 0.08 0.24 -0.07 -0.13 0.23 0.00 0.00 176.35 176.70 2e0g s ARG 74 N -1.84 0.59 0.01 1.70 0.52 0.10 -4.86 118.95 115.17 2e0g s ARG 74 Ca 0.22 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 2e0g s ARG 74 Cb -0.11 -0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.15 2e0g s ARG 74 CO 0.13 0.01 0.01 -0.06 0.02 0.00 0.00 175.30 175.42 2e0g s PHE 75 N -2.10 0.15 0.13 -0.53 0.08 -1.26 0.23 117.98 114.68 2e0g s PHE 75 Ca -0.04 -0.32 -0.25 0.00 0.12 0.00 0.00 56.93 56.45 2e0g s PHE 75 Cb -0.05 -0.12 0.07 0.00 -0.57 0.00 0.00 43.02 42.35 2e0g s PHE 75 CO -0.02 -0.17 0.74 -1.21 -0.10 0.00 0.00 175.22 174.47 2e0g s GLU 76 N -1.11 1.22 -0.46 0.44 2.02 0.07 -4.87 118.70 116.01 2e0g s GLU 76 Ca -0.12 -0.52 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 2e0g s GLU 76 Cb -0.07 0.51 0.05 0.00 0.10 0.00 0.00 34.13 34.72 2e0g s GLU 76 CO -0.00 -0.54 0.43 0.08 0.02 0.00 0.00 175.26 175.24 2e0g s VAL 77 N -3.54 5.15 0.24 2.63 1.01 -1.26 -0.97 120.40 123.65 2e0g s VAL 77 Ca 0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2e0g s VAL 77 Cb -0.02 -4.11 0.21 0.00 0.00 0.00 0.00 36.38 32.47 2e0g s VAL 77 CO -0.07 -0.54 1.85 1.23 0.00 0.00 0.00 175.10 177.57 2e0g h GLY 78 N 8.96 1.27 -6.10 4.51 0.00 -0.19 -3.42 103.07 108.10 2e0g h GLY 78 Ca -0.28 -0.38 -0.36 0.00 0.00 0.00 0.00 47.33 46.32 2e0g h GLY 78 CO 0.85 0.26 -0.76 -0.51 0.00 0.00 0.00 176.54 176.39 2e0g s THR 79 N -6.07 0.33 0.23 4.70 -4.23 -1.24 -5.05 115.64 104.31 2e0g s THR 79 Ca -0.13 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.43 2e0g s THR 79 Cb 0.18 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 2e0g s THR 79 CO 0.79 0.16 -0.05 -1.59 -0.54 0.00 0.00 174.62 173.39 2e0g s LYS 80 N 0.71 2.19 1.00 3.99 -2.85 -1.26 -4.22 119.74 119.29 2e0g s LYS 80 Ca -0.08 -1.37 -0.12 0.00 -1.00 0.00 0.00 55.97 53.40 2e0g s LYS 80 Cb -0.11 -2.15 0.19 0.00 -2.06 0.00 0.00 37.83 33.70 2e0g s LYS 80 CO -0.01 0.39 1.09 -1.25 0.10 0.00 0.00 175.35 175.68 2e0g s PRO 81 N -3.33 0.44 0.04 1.78 0.04 -1.26 -5.08 135.00 127.62 2e0g s PRO 81 Ca 0.29 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.88 2e0g s PRO 81 Cb -0.07 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2e0g s PRO 81 CO 0.18 -2.73 -0.08 0.08 0.04 0.00 0.00 177.00 174.49 2e0g s VAL 82 N -2.96 0.58 0.25 -0.36 1.01 -1.26 -5.16 120.40 112.49 2e0g s VAL 82 Ca 0.65 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2e0g s VAL 82 Cb -0.19 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2e0g s VAL 82 CO 0.58 -0.33 0.57 0.42 0.00 0.00 0.00 175.10 176.33 2e0g s THR 83 N -1.28 0.01 -0.08 3.92 -4.23 -1.26 -5.19 115.64 107.54 2e0g s THR 83 Ca -0.08 -1.13 -0.32 0.00 -1.18 0.00 0.00 61.69 58.98 2e0g s THR 83 Cb -0.09 -1.99 0.13 0.00 1.34 0.00 0.00 72.50 71.88 2e0g s THR 83 CO 0.01 -0.03 1.39 -1.58 -0.54 0.00 0.00 174.62 173.86 2e0g s GLN 84 N -3.95 0.11 0.08 3.99 2.00 -1.26 -5.19 119.66 115.44 2e0g s GLN 84 Ca 0.16 -0.07 -0.08 0.00 -2.00 0.00 0.00 55.36 53.37 2e0g s GLN 84 Cb -0.02 0.04 -0.01 0.00 0.80 0.00 0.00 33.01 33.81 2e0g s GLN 84 CO 0.06 -0.05 0.16 0.95 -0.50 0.00 0.00 175.29 175.91 2e0g s THR 85 N -2.07 0.15 0.23 -0.34 -4.23 -1.26 -5.17 115.64 102.94 2e0g s THR 85 Ca 0.21 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 2e0g s THR 85 Cb 0.05 -1.33 0.06 0.00 1.34 0.00 0.00 72.50 72.61 2e0g s THR 85 CO -0.05 -0.69 0.20 -0.81 -0.54 0.00 0.00 174.62 172.74 2e0g n PRO 86 N 0.01 -1.42 -3.15 3.99 -0.04 -1.26 -5.09 135.00 128.04 2e0g n PRO 86 Ca -0.15 -0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.05 2e0g n PRO 86 Cb 0.62 -0.30 -0.01 0.00 -0.04 0.00 0.00 33.50 33.77 2e0g n PRO 86 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2e0g s GLN 87 N -3.46 0.02 0.00 0.54 -0.44 -1.26 -5.18 119.66 109.88 2e0g s GLN 87 Ca 0.13 0.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.01 2e0g s GLN 87 Cb -0.01 0.01 0.00 0.00 -1.64 0.00 0.00 33.01 31.37 2e0g s GLN 87 CO 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 175.29 175.86 2e0g n ALA 88 N 5.14 0.00 -2.04 1.58 0.00 -1.26 -5.14 120.51 118.80 2e0g n ALA 88 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2e0g n ALA 88 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2e0g n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e0g n ALA 89 N -3.00 -2.23 -2.05 0.00 0.00 -1.26 -5.03 120.51 106.94 2e0g n ALA 89 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.81 2e0g n ALA 89 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 2e0g n ALA 89 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2e0g n VAL 90 N 1.43 0.00 -1.60 0.00 3.14 -1.26 -5.13 118.33 114.90 2e0g n VAL 90 Ca 0.00 -0.09 -0.37 0.00 -2.96 0.00 0.00 64.34 60.92 2e0g n VAL 90 Cb 0.00 0.31 0.07 0.00 -1.06 0.00 0.00 33.84 33.16 2e0g n VAL 90 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2e0g n THR 91 N 0.05 3.99 -3.96 1.55 -1.04 -1.26 -4.98 114.28 108.62 2e0g n THR 91 Ca -0.07 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 2e0g n THR 91 Cb 0.65 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 2e0g n THR 91 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2e0g n SER 92 N -1.34 0.00 -2.28 8.00 2.88 -1.26 -5.13 113.62 114.49 2e0g n SER 92 Ca 0.14 -1.00 -0.02 0.00 -1.33 0.00 0.00 58.87 56.66 2e0g n SER 92 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 2e0g n SER 92 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2e0g n ASN 93 N -0.03 -4.69 -4.03 -3.46 5.15 -1.26 -5.07 115.26 101.86 2e0g n ASN 93 Ca 0.00 1.38 -0.10 0.00 -0.60 0.00 0.00 54.58 55.26 2e0g n ASN 93 Cb 0.00 -4.60 -0.11 0.00 -0.53 0.00 0.00 39.78 34.54 2e0g n ASN 93 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2e0g s VAL 94 N -0.53 0.28 0.22 3.44 0.11 -1.26 -5.17 120.40 117.49 2e0g s VAL 94 Ca -0.12 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.74 2e0g s VAL 94 Cb 0.01 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 2e0g s VAL 94 CO 0.32 -0.54 0.33 0.00 -3.33 0.00 0.00 175.10 171.88 2e0g s ALA 95 N -1.82 0.30 -0.32 1.54 0.00 -1.26 -5.12 121.76 115.08 2e0g s ALA 95 Ca -0.10 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2e0g s ALA 95 Cb -0.07 1.17 0.25 0.00 0.00 0.00 0.00 23.12 24.47 2e0g s ALA 95 CO -0.02 -0.74 1.22 0.00 0.00 0.00 0.00 175.76 176.22 2e0g n ALA 96 N -0.32 -3.85 -1.22 0.00 0.00 -1.26 -5.17 120.51 108.68 2e0g n ALA 96 Ca -0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 2e0g n ALA 96 Cb 0.63 -3.44 0.12 0.00 0.00 0.00 0.00 19.45 16.76 2e0g n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e0g s PRO 97 N 0.42 1.71 -0.30 0.00 0.04 -1.26 -5.07 135.00 130.54 2e0g s PRO 97 Ca 0.24 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 2e0g s PRO 97 Cb 0.18 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 33.06 2e0g s PRO 97 CO -0.09 -1.97 1.40 0.00 0.04 0.00 0.00 177.00 176.38 2e0g s ALA 98 N -2.92 -2.30 0.01 8.56 0.00 -1.26 -5.19 121.76 118.66 2e0g s ALA 98 Ca 0.62 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 54.31 2e0g s ALA 98 Cb -0.18 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.14 2e0g s ALA 98 CO 0.57 -0.14 0.08 0.00 0.00 0.00 0.00 175.76 176.27 2e0g n GLN 99 N 1.88 0.04 -1.25 0.00 10.64 -1.26 -5.16 117.38 122.27 2e0g n GLN 99 Ca -0.12 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 54.96 2e0g n GLN 99 Cb 0.57 0.13 0.00 0.00 -0.86 0.00 0.00 30.24 30.08 2e0g n GLN 99 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2e0g n VAL 100 N -0.06 -2.49 -3.88 -0.39 0.31 -1.26 -5.10 118.33 105.46 2e0g n VAL 100 Ca 0.00 1.22 0.02 0.00 -0.01 0.00 0.00 64.34 65.57 2e0g n VAL 100 Cb 0.04 -1.98 0.01 0.00 -0.91 0.00 0.00 33.84 31.00 2e0g n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e0g s ALA 101 N -4.96 -2.29 -0.21 3.52 0.00 -1.26 -5.19 121.76 111.37 2e0g s ALA 101 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2e0g s ALA 101 Cb 0.00 0.74 0.15 0.00 0.00 0.00 0.00 23.12 24.01 2e0g s ALA 101 CO 0.00 -1.11 1.12 1.14 0.00 0.00 0.00 175.76 176.91 2e0g s GLN 102 N -2.15 0.41 0.22 0.00 1.03 -1.26 -5.19 119.66 112.72 2e0g s GLN 102 Ca 0.25 0.12 -0.22 0.00 0.04 0.00 0.00 55.36 55.54 2e0g s GLN 102 Cb 0.01 0.19 0.06 0.00 0.03 0.00 0.00 33.01 33.30 2e0g s GLN 102 CO -0.01 -0.12 0.92 0.95 -2.54 0.00 0.00 175.29 174.49 2e0g s THR 103 N -1.00 0.00 -0.29 3.63 -4.23 -1.26 -5.18 115.64 107.31 2e0g s THR 103 Ca 0.02 -0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 59.57 2e0g s THR 103 Cb -0.01 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.56 2e0g s THR 103 CO -0.02 0.00 1.06 -1.58 -0.54 0.00 0.00 174.62 173.54 2e0g s GLN 104 N -2.88 0.41 0.42 3.99 2.00 -1.26 -5.18 119.66 117.16 2e0g s GLN 104 Ca 0.15 0.56 -0.07 0.00 -2.00 0.00 0.00 55.36 54.00 2e0g s GLN 104 Cb -0.03 0.16 0.10 0.00 0.80 0.00 0.00 33.01 34.05 2e0g s GLN 104 CO 0.05 -0.06 0.37 -0.35 -0.50 0.00 0.00 175.29 174.81 2e0g n PRO 105 N 2.68 -1.76 -3.86 1.67 -0.04 -1.26 -5.10 135.00 127.33 2e0g n PRO 105 Ca -0.14 -0.60 0.01 0.00 -0.04 0.00 0.00 63.50 62.73 2e0g n PRO 105 Cb 0.57 -0.56 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 2e0g n PRO 105 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2e0g s GLN 106 N -3.85 0.53 0.00 0.54 0.74 -1.26 -5.37 119.66 110.99 2e0g s GLN 106 Ca 0.24 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.32 2e0g s GLN 106 Cb -0.02 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.24 2e0g s GLN 106 CO 0.19 -0.25 0.00 -2.13 -0.55 0.00 0.00 175.29 172.55