#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g s LEU 2 N 0.00 0.05 0.70 1.04 1.43 -1.26 -5.13 118.68 115.51 2e0g s LEU 2 Ca 0.00 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 2e0g s LEU 2 Cb 0.00 0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.37 2e0g s LEU 2 CO 0.00 -0.31 1.07 -0.94 0.23 0.00 0.00 176.35 176.41 2e0g s SER 3 N 2.25 5.14 0.11 2.29 1.04 -1.26 -4.84 113.70 118.43 2e0g s SER 3 Ca 0.04 1.75 -0.34 0.00 0.48 0.00 0.00 55.95 57.89 2e0g s SER 3 Cb -0.15 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.33 2e0g s SER 3 CO -0.09 -1.61 1.56 0.25 0.98 0.00 0.00 173.24 174.34 2e0g h LEU 4 N -0.59 -1.52 -0.19 2.42 6.46 -2.01 -1.53 115.31 118.35 2e0g h LEU 4 Ca -0.44 0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.52 2e0g h LEU 4 Cb 1.22 0.56 -0.07 0.00 -0.73 0.00 0.00 40.66 41.65 2e0g h LEU 4 CO 0.55 -0.54 -0.45 -0.25 -0.62 0.00 0.00 178.44 177.13 2e0g h TRP 5 N -0.73 -1.30 -0.67 1.25 7.01 -1.97 -0.53 115.95 119.01 2e0g h TRP 5 Ca 0.00 0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.16 2e0g h TRP 5 Cb 0.74 0.59 -0.12 0.00 -2.10 0.00 0.00 29.16 28.28 2e0g h TRP 5 CO -0.44 -0.48 -0.42 1.96 -2.79 0.00 0.00 178.44 176.26 2e0g h GLN 6 N -0.48 -0.16 -0.47 2.65 4.20 -1.87 0.90 115.11 119.89 2e0g h GLN 6 Ca 0.08 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.87 2e0g h GLN 6 Cb 0.63 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2e0g h GLN 6 CO -0.44 -0.11 0.13 1.96 -0.67 0.00 0.00 178.83 179.70 2e0g h GLN 7 N -0.17 0.27 -0.82 1.46 4.20 -0.62 -1.43 115.11 118.00 2e0g h GLN 7 Ca 0.21 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.04 2e0g h GLN 7 Cb 0.56 -0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.18 2e0g h GLN 7 CO -0.75 0.18 0.41 0.00 -0.67 0.00 0.00 178.83 178.00 2e0g h LEU 9 N 0.60 -0.73 -0.70 0.00 3.38 -0.19 -1.57 115.31 116.10 2e0g h LEU 9 Ca 0.44 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.51 2e0g h LEU 9 Cb 0.60 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2e0g h LEU 9 CO -0.35 -0.38 0.30 0.00 0.09 0.00 0.00 178.44 178.10 2e0g h ALA 10 N -0.94 0.96 -0.81 1.53 0.00 -0.95 -0.40 119.26 118.66 2e0g h ALA 10 Ca -0.09 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2e0g h ALA 10 Cb 0.70 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2e0g h ALA 10 CO 0.14 -0.16 0.50 -0.09 0.00 0.00 0.00 179.25 179.64 2e0g h ARG 11 N 0.48 1.09 0.88 0.00 1.12 -0.50 0.16 114.38 117.61 2e0g h ARG 11 Ca 0.37 -0.09 -0.04 0.00 -1.11 0.00 0.00 59.98 59.10 2e0g h ARG 11 Cb 0.49 -0.23 0.01 0.00 -0.01 0.00 0.00 29.97 30.22 2e0g h ARG 11 CO -0.34 0.76 -0.42 1.25 -3.11 0.00 0.00 179.97 178.10 2e0g h LEU 12 N 1.11 -1.00 -1.75 3.80 7.12 -0.04 0.36 115.31 124.91 2e0g h LEU 12 Ca 0.29 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.34 2e0g h LEU 12 Cb -0.06 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2e0g h LEU 12 CO -0.06 -0.67 0.00 -0.61 -0.13 0.00 0.00 178.44 176.97 2e0g h GLN 13 N -1.27 0.00 0.07 1.25 5.75 -1.30 -2.31 115.11 117.30 2e0g h GLN 13 Ca -0.12 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.25 2e0g h GLN 13 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2e0g h GLN 13 CO 0.20 0.00 -0.64 0.22 -2.65 0.00 0.00 178.83 175.96 2e0g h ASP 14 N 0.00 0.23 0.24 -0.69 3.58 -0.33 -3.33 116.42 116.12 2e0g h ASP 14 Ca 0.00 -0.91 -0.04 0.00 0.42 0.00 0.00 57.03 56.50 2e0g h ASP 14 Cb 0.24 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2e0g h ASP 14 CO 0.00 1.29 -0.20 -0.08 -2.88 0.00 0.00 179.24 177.36 2e0g h GLU 15 N -0.67 0.00 -2.32 0.28 4.81 -0.02 -3.46 114.58 113.21 2e0g h GLU 15 Ca -0.13 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.22 2e0g h GLU 15 Cb 1.38 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.62 2e0g h GLU 15 CO 0.04 0.20 0.48 -0.51 -0.73 0.00 0.00 179.01 178.50 2e0g s LEU 16 N -8.35 -0.33 0.00 1.64 1.02 -0.89 -5.01 118.68 106.75 2e0g s LEU 16 Ca -0.04 -0.09 0.15 0.00 0.02 0.00 0.00 54.13 54.17 2e0g s LEU 16 Cb 0.15 2.08 0.80 0.00 0.02 0.00 0.00 46.19 49.23 2e0g s LEU 16 CO 0.68 -0.70 1.39 -0.81 0.02 0.00 0.00 176.35 176.94 2e0g n PRO 17 N -0.30 0.28 -1.52 1.29 -0.04 -1.26 -3.88 135.00 129.57 2e0g n PRO 17 Ca -0.08 0.11 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 2e0g n PRO 17 Cb 0.62 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.21 0.48 1.08 0.55 0.00 -1.26 -4.73 120.51 115.42 2e0g n ALA 18 Ca 0.08 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.11 2e0g n ALA 18 Cb 0.10 -2.62 0.40 0.00 0.00 0.00 0.00 19.45 17.33 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 7.67 0.00 -0.34 0.00 -1.04 -1.26 -4.24 114.28 115.06 2e0g n THR 19 Ca 0.55 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.05 62.53 2e0g n THR 19 Cb 0.22 0.03 0.05 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.19 -0.03 -0.85 -2.82 3.07 -2.00 0.55 114.58 112.69 2e0g h GLU 20 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 59.36 59.06 2e0g h GLU 20 Cb 0.48 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.28 2e0g h GLU 20 CO 0.00 -0.02 0.31 0.27 -1.40 0.00 0.00 179.01 178.17 2e0g h PHE 21 N -0.03 0.51 -0.15 4.33 -0.00 -1.92 0.84 116.94 120.52 2e0g h PHE 21 Ca 0.34 0.04 0.04 0.00 -0.00 0.00 0.00 57.97 58.39 2e0g h PHE 21 Cb 0.60 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 36.45 2e0g h PHE 21 CO -0.80 -0.07 0.24 1.03 -0.00 0.00 0.00 178.31 178.71 2e0g h SER 22 N 0.35 0.00 0.06 -0.68 0.87 -0.18 0.35 113.55 114.32 2e0g h SER 22 Ca 0.51 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.78 2e0g h SER 22 Cb 0.94 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.85 2e0g h SER 22 CO -0.53 0.00 -2.24 0.23 -0.53 0.00 0.00 176.83 173.75 2e0g n MET 23 N -3.49 0.68 -1.03 2.24 2.81 0.26 -3.22 117.12 115.38 2e0g n MET 23 Ca 0.01 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 2e0g n MET 23 Cb 0.35 -1.55 0.22 0.00 -0.71 0.00 0.00 33.22 31.53 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 -2.69 2.29 0.00 2.03 7.02 0.42 -4.47 117.44 122.05 2e0g n TRP 24 Ca -0.26 -1.59 0.00 0.00 -1.02 0.00 0.00 57.50 54.63 2e0g n TRP 24 Cb 1.04 -0.73 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 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 -0.89 0.00 0.01 -0.99 2.08 0.11 -4.81 119.36 114.87 2e0g n ILE 25 Ca 0.46 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.63 2e0g n ILE 25 Cb 1.40 -0.01 -0.08 0.00 -0.75 0.00 0.00 39.64 40.20 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 -0.54 0.00 0.38 2.47 -1.67 0.83 114.38 115.85 2e0g h ARG 26 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2e0g h ARG 26 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2e0g h ARG 26 CO 0.00 -0.36 0.00 -0.35 0.56 0.00 0.00 179.97 179.82 2e0g n PRO 27 N -5.44 0.00 -2.28 0.04 -0.04 -1.26 -4.77 135.00 121.26 2e0g n PRO 27 Ca -0.05 0.26 -0.25 0.00 -0.04 0.00 0.00 63.50 63.41 2e0g n PRO 27 Cb 0.38 -1.51 0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.02 2.90 -0.21 1.53 1.43 0.28 -4.89 118.68 116.70 2e0g s LEU 28 Ca 0.07 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2e0g s LEU 28 Cb 0.09 -3.08 0.06 0.00 0.03 0.00 0.00 46.19 43.29 2e0g s LEU 28 CO 0.26 -1.51 0.01 -1.58 0.23 0.00 0.00 176.35 173.76 2e0g s GLN 29 N -5.16 1.00 0.19 1.70 -0.44 -0.22 -4.93 119.66 111.79 2e0g s GLN 29 Ca 0.59 -0.66 -0.20 0.00 -2.50 0.00 0.00 55.36 52.60 2e0g s GLN 29 Cb -0.11 -2.28 -0.08 0.00 -1.64 0.00 0.00 33.01 28.91 2e0g s GLN 29 CO 0.44 -0.65 0.69 0.00 0.50 0.00 0.00 175.29 176.27 2e0g s ALA 30 N 1.68 3.46 -0.09 1.58 0.00 -1.26 -0.19 121.76 126.94 2e0g s ALA 30 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2e0g s ALA 30 Cb -0.18 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.18 2e0g s ALA 30 CO -0.08 0.35 -0.10 -2.00 0.00 0.00 0.00 175.76 173.93 2e0g s GLU 31 N -1.77 1.59 -0.01 0.00 2.12 -0.08 -4.95 118.70 115.59 2e0g s GLU 31 Ca 0.40 -0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.21 2e0g s GLU 31 Cb -0.18 -1.49 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 2e0g s GLU 31 CO 0.21 -0.13 0.57 -0.51 -0.54 0.00 0.00 175.26 174.86 2e0g s LEU 32 N 1.22 4.41 -0.21 2.70 1.43 -1.26 -0.72 118.68 126.25 2e0g s LEU 32 Ca -0.04 1.12 0.14 0.00 -1.03 0.00 0.00 54.13 54.32 2e0g s LEU 32 Cb -0.14 -2.88 0.50 0.00 0.03 0.00 0.00 46.19 43.70 2e0g s LEU 32 CO -0.03 0.11 1.41 -1.20 0.23 0.00 0.00 176.35 176.86 2e0g n SER 33 N 2.75 3.24 0.00 2.29 7.64 0.10 -4.92 113.62 124.73 2e0g n SER 33 Ca -0.07 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.53 2e0g n SER 33 Cb 0.51 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.83 0.00 -0.24 6.43 2.03 -1.26 -4.36 116.55 118.32 2e0g n ASP 34 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2e0g n ASP 34 Cb 0.91 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 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 -3.63 1.67 4.13 -1.26 -5.00 115.26 111.17 2e0g n ASN 35 Ca 0.00 -0.73 -0.04 0.00 1.68 0.00 0.00 54.58 55.49 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 -0.42 -0.50 3.41 2.01 -1.26 -1.87 115.64 117.00 2e0g s THR 36 Ca 0.00 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2e0g s THR 36 Cb 0.00 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.64 2e0g s THR 36 CO 0.00 0.00 0.40 -0.22 -0.69 0.00 0.00 174.62 174.11 2e0g s LEU 37 N 2.16 5.83 0.57 4.42 2.96 0.12 0.01 118.68 134.76 2e0g s LEU 37 Ca -0.08 -1.95 -0.08 0.00 -0.22 0.00 0.00 54.13 51.79 2e0g s LEU 37 Cb -0.08 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2e0g s LEU 37 CO -0.19 -0.71 0.93 0.00 -1.32 0.00 0.00 176.35 175.06 2e0g s ALA 38 N 1.31 3.22 -0.09 5.97 0.00 0.10 -1.26 121.76 131.01 2e0g s ALA 38 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2e0g s ALA 38 Cb -0.26 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2e0g s ALA 38 CO -0.00 -0.61 -0.17 -1.17 0.00 0.00 0.00 175.76 173.81 2e0g s LEU 39 N -5.01 1.82 -0.29 0.00 1.98 0.14 -0.91 118.68 116.42 2e0g s LEU 39 Ca 0.52 -0.42 -0.08 0.00 -2.89 0.00 0.00 54.13 51.25 2e0g s LEU 39 Cb -0.11 -1.10 -0.01 0.00 0.66 0.00 0.00 46.19 45.64 2e0g s LEU 39 CO 0.50 0.07 0.12 -0.31 -1.89 0.00 0.00 176.35 174.84 2e0g s TYR 40 N 0.63 3.15 0.30 5.38 1.51 0.73 -0.07 117.35 128.99 2e0g s TYR 40 Ca -0.14 -0.62 0.10 0.00 -1.01 0.00 0.00 57.07 55.40 2e0g s TYR 40 Cb -0.16 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.33 2e0g s TYR 40 CO 0.04 -0.46 -0.09 0.00 -1.11 0.00 0.00 175.55 173.94 2e0g s ALA 41 N 1.59 2.98 -0.59 3.71 0.00 0.02 -1.06 121.76 128.41 2e0g s ALA 41 Ca 0.05 -1.89 0.21 0.00 0.00 0.00 0.00 51.96 50.33 2e0g s ALA 41 Cb -0.17 -0.36 0.90 0.00 0.00 0.00 0.00 23.12 23.50 2e0g s ALA 41 CO 0.05 0.19 1.65 -0.35 0.00 0.00 0.00 175.76 177.30 2e0g n PRO 42 N -0.79 0.15 -3.83 0.00 -0.04 -1.26 0.46 135.00 129.68 2e0g n PRO 42 Ca -0.05 0.39 -0.07 0.00 -0.04 0.00 0.00 63.50 63.73 2e0g n PRO 42 Cb 0.61 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.96 -0.16 0.29 3.54 6.03 -1.26 -4.65 114.94 114.77 2e0g s ASN 43 Ca 0.05 -0.74 0.11 0.00 -1.03 0.00 0.00 52.86 51.25 2e0g s ASN 43 Cb 0.09 0.72 0.40 0.00 -3.03 0.00 0.00 41.25 39.43 2e0g s ASN 43 CO 0.36 -1.36 1.63 -0.09 -2.03 0.00 0.00 177.10 175.60 2e0g h ARG 44 N 2.00 0.00 -0.26 3.55 9.65 -1.94 -3.25 114.38 124.13 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 1.25 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.75 2e0g h ARG 44 CO 0.29 0.59 -0.28 0.74 2.80 0.00 0.00 179.97 184.11 2e0g h PHE 45 N 0.00 -0.75 -0.77 2.20 0.04 -1.99 -1.03 116.94 114.63 2e0g h PHE 45 Ca -0.01 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.87 2e0g h PHE 45 Cb 1.06 0.37 -0.06 0.00 2.20 0.00 0.00 35.95 39.52 2e0g h PHE 45 CO 0.00 -0.35 0.46 0.28 -0.60 0.00 0.00 178.31 178.10 2e0g h VAL 46 N -0.28 1.00 0.31 -0.55 2.07 -1.98 -1.97 116.25 114.86 2e0g h VAL 46 Ca 0.14 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2e0g h VAL 46 Cb 0.50 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2e0g h VAL 46 CO -0.42 0.15 -0.38 -0.07 0.02 0.00 0.00 177.57 176.87 2e0g h LEU 47 N 0.84 -1.06 -0.39 2.57 3.38 -1.31 0.30 115.31 119.63 2e0g h LEU 47 Ca 0.34 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.49 2e0g h LEU 47 Cb 0.19 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2e0g h LEU 47 CO -0.18 -0.51 -0.07 -0.78 0.09 0.00 0.00 178.44 176.99 2e0g h ASP 48 N -0.74 -0.30 0.64 -0.43 1.82 -0.99 0.25 116.42 116.66 2e0g h ASP 48 Ca -0.02 0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 2e0g h ASP 48 Cb 0.69 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.92 2e0g h ASP 48 CO -0.11 -0.10 -0.35 -0.25 -1.61 0.00 0.00 179.24 176.82 2e0g h TRP 49 N 0.03 -0.92 -0.52 0.28 2.91 -1.04 -1.74 115.95 114.94 2e0g h TRP 49 Ca 0.19 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.29 2e0g h TRP 49 Cb 0.29 0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 29.18 2e0g h TRP 49 CO -0.32 -0.55 0.11 0.28 -1.03 0.00 0.00 178.44 176.93 2e0g h VAL 50 N -0.92 0.71 0.00 2.65 2.07 -0.08 0.33 116.25 121.00 2e0g h VAL 50 Ca -0.08 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2e0g h VAL 50 Cb 0.73 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2e0g h VAL 50 CO 0.11 0.04 0.00 -1.14 0.02 0.00 0.00 177.57 176.60 2e0g n ARG 51 N -5.11 0.13 0.01 1.57 0.00 0.86 -0.38 116.66 113.74 2e0g n ARG 51 Ca 0.06 0.53 -0.07 0.00 -0.00 0.00 0.00 57.85 58.38 2e0g n ARG 51 Cb 0.26 -1.85 -0.05 0.00 0.00 0.00 0.00 32.46 30.81 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 -0.12 0.00 6.15 1.82 0.58 -3.36 116.42 121.50 2e0g h ASP 52 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2e0g h ASP 52 Cb 0.13 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2e0g h ASP 52 CO 0.00 0.49 -0.64 2.29 -1.61 0.00 0.00 179.24 179.77 2e0g n LYS 53 N -4.84 0.36 -0.35 0.28 2.85 -1.10 -4.29 118.16 111.07 2e0g n LYS 53 Ca -0.05 0.19 -0.01 0.00 -1.05 0.00 0.00 58.31 57.39 2e0g n LYS 53 Cb 0.20 -1.18 0.04 0.00 -0.65 0.00 0.00 35.03 33.44 2e0g n LYS 53 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2e0g n TYR 54 N -3.85 0.02 -0.07 5.58 9.36 0.49 -1.02 117.16 127.67 2e0g n TYR 54 Ca -0.09 1.13 -0.07 0.00 3.32 0.00 0.00 57.90 62.20 2e0g n TYR 54 Cb 0.33 -0.84 -0.05 0.00 -0.63 0.00 0.00 39.34 38.15 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 -0.95 -0.98 2.98 5.85 -1.54 0.26 115.31 120.92 2e0g h LEU 55 Ca 0.32 0.13 0.28 0.00 0.84 0.00 0.00 57.88 59.44 2e0g h LEU 55 Cb 0.55 0.39 -0.18 0.00 0.37 0.00 0.00 40.66 41.79 2e0g h LEU 55 CO -0.91 -0.20 0.07 0.78 -0.34 0.00 0.00 178.44 177.83 2e0g h ASN 56 N -0.20 -0.41 0.27 1.25 -0.26 -1.26 0.35 115.58 115.32 2e0g h ASN 56 Ca 0.04 0.27 -0.01 0.00 -0.56 0.00 0.00 56.30 56.04 2e0g h ASN 56 Cb 0.30 0.46 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 2e0g h ASN 56 CO -0.31 -0.35 -0.13 0.78 -1.06 0.00 0.00 177.43 176.36 2e0g h ASN 57 N 0.02 -0.30 0.34 5.81 2.35 -0.60 -1.67 115.58 121.52 2e0g h ASN 57 Ca 0.61 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2e0g h ASN 57 Cb 1.28 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 2e0g h ASN 57 CO -0.90 -0.00 -0.45 0.40 -1.65 0.00 0.00 177.43 174.83 2e0g h ILE 58 N -0.61 0.11 -0.32 2.81 1.08 0.24 -1.56 117.51 119.26 2e0g h ILE 58 Ca -0.04 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 2e0g h ILE 58 Cb 0.44 0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 2e0g h ILE 58 CO 0.06 0.00 -0.28 0.78 -0.69 0.00 0.00 178.15 178.02 2e0g h ASN 59 N -0.83 -0.91 -0.98 1.72 -0.26 -0.52 0.59 115.58 114.39 2e0g h ASN 59 Ca -0.03 0.16 0.19 0.00 -0.56 0.00 0.00 56.30 56.07 2e0g h ASN 59 Cb 0.77 0.43 -0.09 0.00 -1.06 0.00 0.00 38.32 38.36 2e0g h ASN 59 CO -0.13 -0.30 0.61 1.23 -1.06 0.00 0.00 177.43 177.79 2e0g h GLY 60 N -0.25 1.48 0.45 2.83 0.00 -1.05 -1.73 103.07 104.80 2e0g h GLY 60 Ca 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2e0g h GLY 60 CO -0.46 -0.04 -0.00 -2.00 0.00 0.00 0.00 176.54 174.04 2e0g h LEU 61 N 0.66 0.01 -0.56 3.11 6.46 -0.02 -1.87 115.31 123.11 2e0g h LEU 61 Ca 0.54 -0.56 0.11 0.00 -0.12 0.00 0.00 57.88 57.86 2e0g h LEU 61 Cb 0.99 -0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.81 2e0g h LEU 61 CO -0.31 0.56 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.85 2e0g h LEU 62 N -0.55 -0.57 -0.19 2.25 4.07 -0.14 0.72 115.31 120.89 2e0g h LEU 62 Ca 0.00 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 2e0g h LEU 62 Cb 0.56 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 2e0g h LEU 62 CO 0.00 -0.20 0.02 0.74 -1.08 0.00 0.00 178.44 177.92 2e0g h THR 63 N -0.02 1.23 0.00 0.22 2.02 -1.40 -1.75 112.91 113.21 2e0g h THR 63 Ca 0.27 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2e0g h THR 63 Cb 0.43 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2e0g h THR 63 CO -0.58 0.24 -0.02 -1.28 0.37 0.00 0.00 175.52 174.24 2e0g h SER 64 N 0.11 0.00 0.12 4.18 0.87 -0.41 0.30 113.55 118.71 2e0g h SER 64 Ca 0.06 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 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 0.02 -0.72 0.15 -0.53 0.00 0.00 176.83 175.76 2e0g h PHE 65 N 0.00 0.45 0.00 2.24 3.57 0.82 -3.45 116.94 120.57 2e0g h PHE 65 Ca -0.00 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2e0g h PHE 65 Cb 0.24 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2e0g h PHE 65 CO 0.00 1.27 -0.24 0.00 -2.23 0.00 0.00 178.31 177.11 2e0g n GLY 67 N 1.87 -1.18 3.41 0.00 0.00 0.10 -4.64 105.19 104.76 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 0.30 0.00 0.02 4.61 0.00 -1.26 -4.70 120.51 119.48 2e0g n ALA 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2e0g n ALA 68 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 3.02 -4.75 0.00 -0.08 -1.26 -5.03 116.55 108.44 2e0g n ASP 69 Ca 0.00 -0.05 -0.30 0.00 -1.51 0.00 0.00 54.79 52.93 2e0g n ASP 69 Cb 0.00 1.33 0.12 0.00 2.34 0.00 0.00 41.12 44.91 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e0g s ALA 70 N -2.48 1.83 1.01 -1.67 0.00 -1.26 -5.02 121.76 114.16 2e0g s ALA 70 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2e0g s ALA 70 Cb 0.05 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2e0g s ALA 70 CO 0.32 -2.11 0.03 -0.35 0.00 0.00 0.00 175.76 173.66 2e0g n PRO 71 N -3.71 -1.08 -4.40 0.00 -0.04 -1.26 -5.01 135.00 119.50 2e0g n PRO 71 Ca 0.07 -0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 2e0g n PRO 71 Cb 0.55 -0.04 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 2e0g n PRO 71 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2e0g s GLN 72 N -3.07 1.50 -0.03 0.54 -2.07 -0.78 -4.94 119.66 110.82 2e0g s GLN 72 Ca 0.02 -1.78 -0.01 0.00 -1.82 0.00 0.00 55.36 51.77 2e0g s GLN 72 Cb -0.00 -0.90 -0.04 0.00 -1.09 0.00 0.00 33.01 30.98 2e0g s GLN 72 CO 0.01 -0.06 0.08 -1.17 -1.32 0.00 0.00 175.29 172.83 2e0g s LEU 73 N -3.41 3.93 0.19 2.60 2.96 -1.26 0.16 118.68 123.86 2e0g s LEU 73 Ca 0.31 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2e0g s LEU 73 Cb 0.06 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2e0g s LEU 73 CO 0.12 0.30 -0.04 -0.13 -1.32 0.00 0.00 176.35 175.28 2e0g s ARG 74 N -1.54 1.20 0.01 1.98 0.52 -0.39 -4.89 118.95 115.84 2e0g s ARG 74 Ca 0.21 -1.57 -0.03 0.00 -0.52 0.00 0.00 55.73 53.81 2e0g s ARG 74 Cb -0.12 -0.56 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 2e0g s ARG 74 CO 0.11 -0.04 0.04 -0.06 0.02 0.00 0.00 175.30 175.38 2e0g s PHE 75 N -3.42 0.16 -0.10 -0.53 0.40 -1.26 0.26 117.98 113.49 2e0g s PHE 75 Ca 0.23 -0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 55.90 2e0g s PHE 75 Cb 0.05 -0.13 0.12 0.00 0.51 0.00 0.00 43.02 43.57 2e0g s PHE 75 CO 0.05 -0.23 1.02 -2.00 0.70 0.00 0.00 175.22 174.76 2e0g s GLU 76 N -1.42 0.59 -0.49 0.44 2.12 0.91 -4.81 118.70 116.04 2e0g s GLU 76 Ca -0.15 -0.15 -0.20 0.00 0.36 0.00 0.00 54.97 54.83 2e0g s GLU 76 Cb -0.09 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.62 2e0g s GLU 76 CO 0.00 -0.25 0.63 0.08 -0.54 0.00 0.00 175.26 175.19 2e0g s VAL 77 N -2.48 4.86 0.00 3.70 1.01 -1.26 -0.80 120.40 125.43 2e0g s VAL 77 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2e0g s VAL 77 Cb -0.01 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2e0g s VAL 77 CO -0.06 -0.75 0.84 0.61 0.00 0.00 0.00 175.10 175.74 2e0g n GLY 78 N 5.14 -2.79 3.73 4.51 0.00 0.17 -4.60 105.19 111.35 2e0g n GLY 78 Ca -0.05 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2e0g n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e0g s THR 79 N -2.36 4.86 0.25 2.61 -4.23 -1.25 -5.04 115.64 110.48 2e0g s THR 79 Ca 0.00 1.57 0.10 0.00 -1.18 0.00 0.00 61.69 62.17 2e0g s THR 79 Cb 0.00 -4.09 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 2e0g s THR 79 CO 0.00 0.32 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.82 2e0g s LYS 80 N 0.29 2.22 0.99 3.99 1.02 -1.26 -4.61 119.74 122.38 2e0g s LYS 80 Ca 0.39 -1.41 -0.12 0.00 0.02 0.00 0.00 55.97 54.85 2e0g s LYS 80 Cb -0.19 -2.14 0.19 0.00 -0.52 0.00 0.00 37.83 35.16 2e0g s LYS 80 CO 0.21 0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 174.86 2e0g s PRO 81 N -3.49 0.46 0.17 -1.68 0.04 -1.26 -5.04 135.00 124.20 2e0g s PRO 81 Ca 0.30 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2e0g s PRO 81 Cb -0.07 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2e0g s PRO 81 CO 0.19 -2.71 0.52 0.54 0.04 0.00 0.00 177.00 175.57 2e0g s VAL 82 N -2.96 4.94 -0.14 -0.36 0.11 -1.26 -5.09 120.40 115.64 2e0g s VAL 82 Ca 0.65 0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 60.17 2e0g s VAL 82 Cb -0.19 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.03 2e0g s VAL 82 CO 0.58 0.12 0.36 0.28 -3.33 0.00 0.00 175.10 173.10 2e0g s THR 83 N -1.60 -0.00 -0.30 5.04 -1.32 -1.26 -5.14 115.64 111.06 2e0g s THR 83 Ca 0.41 0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.71 2e0g s THR 83 Cb -0.13 -0.50 0.19 0.00 -1.51 0.00 0.00 72.50 70.54 2e0g s THR 83 CO 0.20 0.00 1.26 -1.58 -2.21 0.00 0.00 174.62 172.29 2e0g s GLN 84 N 0.26 0.04 -0.51 7.08 0.74 -1.26 -5.10 119.66 120.91 2e0g s GLN 84 Ca -0.01 0.08 0.07 0.00 0.05 0.00 0.00 55.36 55.55 2e0g s GLN 84 Cb -0.03 0.05 0.24 0.00 1.10 0.00 0.00 33.01 34.37 2e0g s GLN 84 CO -0.00 -0.02 0.61 0.25 -0.55 0.00 0.00 175.29 175.57 2e0g n THR 85 N 4.96 0.69 -1.11 -0.34 -2.24 -1.26 -5.11 114.28 109.86 2e0g n THR 85 Ca -0.08 -4.54 -0.29 0.00 -2.27 0.00 0.00 64.05 56.87 2e0g n THR 85 Cb 0.55 -2.02 0.22 0.00 -2.10 0.00 0.00 70.33 66.98 2e0g n THR 85 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2e0g s PRO 86 N -1.70 -0.60 -0.04 -0.78 0.04 -1.26 -5.08 135.00 125.58 2e0g s PRO 86 Ca 0.37 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 2e0g s PRO 86 Cb 0.15 -1.65 0.12 0.00 0.04 0.00 0.00 34.50 33.16 2e0g s PRO 86 CO -0.07 -3.34 1.33 -1.14 0.04 0.00 0.00 177.00 173.81 2e0g s GLN 87 N -5.22 0.27 -0.15 4.56 2.00 -1.26 -5.19 119.66 114.67 2e0g s GLN 87 Ca 0.69 -0.17 -0.34 0.00 -2.00 0.00 0.00 55.36 53.54 2e0g s GLN 87 Cb -0.13 0.08 0.14 0.00 0.80 0.00 0.00 33.01 33.90 2e0g s GLN 87 CO 0.57 -0.13 1.28 0.00 -0.50 0.00 0.00 175.29 176.51 2e0g s ALA 88 N -2.16 -2.18 -0.28 1.58 0.00 -1.26 -5.18 121.76 112.29 2e0g s ALA 88 Ca 0.21 1.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.27 2e0g s ALA 88 Cb 0.03 -0.00 0.14 0.00 0.00 0.00 0.00 23.12 23.28 2e0g s ALA 88 CO -0.03 -0.75 1.12 0.00 0.00 0.00 0.00 175.76 176.09 2e0g s ALA 89 N -2.33 -2.02 -0.02 0.00 0.00 -1.26 -5.18 121.76 110.96 2e0g s ALA 89 Ca 0.12 1.82 -0.07 0.00 0.00 0.00 0.00 51.96 53.83 2e0g s ALA 89 Cb 0.01 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.66 2e0g s ALA 89 CO -0.04 -0.21 0.15 0.08 0.00 0.00 0.00 175.76 175.74 2e0g s VAL 90 N 0.12 0.06 -0.02 0.00 1.01 -1.26 -5.17 120.40 115.14 2e0g s VAL 90 Ca 0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2e0g s VAL 90 Cb -0.05 -0.38 0.11 0.00 0.00 0.00 0.00 36.38 36.05 2e0g s VAL 90 CO -0.08 -0.27 0.92 0.42 0.00 0.00 0.00 175.10 176.09 2e0g s THR 91 N -0.97 0.00 -0.03 3.92 -4.23 -1.26 -5.19 115.64 107.88 2e0g s THR 91 Ca -0.11 -0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.10 2e0g s THR 91 Cb -0.06 -1.00 0.12 0.00 1.34 0.00 0.00 72.50 72.90 2e0g s THR 91 CO 0.01 0.00 1.31 -0.44 -0.54 0.00 0.00 174.62 174.96 2e0g s SER 92 N -2.45 -0.03 -0.28 3.99 0.01 -1.26 -5.19 113.70 108.49 2e0g s SER 92 Ca 0.05 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.91 2e0g s SER 92 Cb -0.01 0.13 0.18 0.00 0.21 0.00 0.00 66.02 66.54 2e0g s SER 92 CO -0.09 -0.25 1.36 0.21 0.41 0.00 0.00 173.24 174.89 2e0g s ASN 93 N -3.28 -0.09 0.04 2.44 2.47 -1.26 -5.18 114.94 110.08 2e0g s ASN 93 Ca 0.20 0.13 0.02 0.00 0.42 0.00 0.00 52.86 53.64 2e0g s ASN 93 Cb 0.03 0.13 -0.02 0.00 -1.45 0.00 0.00 41.25 39.94 2e0g s ASN 93 CO -0.03 -0.05 -0.08 0.54 -3.72 0.00 0.00 177.10 173.76 2e0g s VAL 94 N -0.44 0.56 -0.29 -5.21 0.11 -1.26 -5.15 120.40 108.71 2e0g s VAL 94 Ca 0.07 -0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 57.99 2e0g s VAL 94 Cb -0.03 -0.60 0.18 0.00 -1.53 0.00 0.00 36.38 34.40 2e0g s VAL 94 CO -0.11 -0.30 1.16 0.00 -3.33 0.00 0.00 175.10 172.52 2e0g s ALA 95 N -1.19 -2.49 -0.35 1.54 0.00 -1.26 -5.11 121.76 112.90 2e0g s ALA 95 Ca -0.08 2.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.92 2e0g s ALA 95 Cb -0.09 -1.86 0.27 0.00 0.00 0.00 0.00 23.12 21.44 2e0g s ALA 95 CO 0.00 -0.31 1.20 0.00 0.00 0.00 0.00 175.76 176.65 2e0g n ALA 96 N 3.22 -3.19 -1.11 0.00 0.00 -1.26 -5.17 120.51 112.99 2e0g n ALA 96 Ca -0.17 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.48 2e0g n ALA 96 Cb 0.57 -2.92 0.22 0.00 0.00 0.00 0.00 19.45 17.31 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 0.19 -0.72 -0.14 0.00 0.04 -1.26 -5.09 135.00 128.02 2e0g s PRO 97 Ca 0.26 0.11 -0.34 0.00 0.04 0.00 0.00 61.00 61.08 2e0g s PRO 97 Cb 0.22 -1.64 0.13 0.00 0.04 0.00 0.00 34.50 33.25 2e0g s PRO 97 CO -0.11 -3.41 1.23 0.00 0.04 0.00 0.00 177.00 174.75 2e0g s ALA 98 N -2.99 -2.12 -0.33 8.56 0.00 -1.26 -5.14 121.76 118.48 2e0g s ALA 98 Ca 0.69 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 2e0g s ALA 98 Cb -0.13 0.02 0.19 0.00 0.00 0.00 0.00 23.12 23.20 2e0g s ALA 98 CO 0.57 -0.73 0.87 -1.14 0.00 0.00 0.00 175.76 175.33 2e0g s GLN 99 N -2.42 0.37 1.24 0.00 0.74 -1.26 -5.17 119.66 113.16 2e0g s GLN 99 Ca 0.11 0.08 -0.16 0.00 0.05 0.00 0.00 55.36 55.44 2e0g s GLN 99 Cb 0.01 0.10 0.28 0.00 1.10 0.00 0.00 33.01 34.50 2e0g s GLN 99 CO -0.04 -0.61 0.79 1.33 -0.55 0.00 0.00 175.29 176.21 2e0g n VAL 100 N 4.62 0.00 -3.65 1.34 0.24 -1.26 -5.06 118.33 114.56 2e0g n VAL 100 Ca 0.08 -0.37 -0.03 0.00 -2.04 0.00 0.00 64.34 61.98 2e0g n VAL 100 Cb 0.58 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.97 2e0g n VAL 100 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e0g s ALA 101 N -2.30 -2.31 -0.27 2.33 0.00 -1.26 -5.18 121.76 112.77 2e0g s ALA 101 Ca 0.65 1.87 -0.32 0.00 0.00 0.00 0.00 51.96 54.16 2e0g s ALA 101 Cb -0.21 -1.77 0.18 0.00 0.00 0.00 0.00 23.12 21.32 2e0g s ALA 101 CO 0.63 -0.21 1.34 -1.14 0.00 0.00 0.00 175.76 176.38 2e0g s GLN 102 N 0.51 0.09 -0.21 0.00 2.00 -1.26 -5.19 119.66 115.60 2e0g s GLN 102 Ca 0.00 -0.00 -0.29 0.00 -2.00 0.00 0.00 55.36 53.07 2e0g s GLN 102 Cb -0.04 0.04 0.15 0.00 0.80 0.00 0.00 33.01 33.96 2e0g s GLN 102 CO -0.12 -0.03 1.14 0.95 -0.50 0.00 0.00 175.29 176.72 2e0g s THR 103 N -1.44 0.00 -0.28 -0.34 -4.23 -1.26 -5.18 115.64 102.91 2e0g s THR 103 Ca 0.09 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 2e0g s THR 103 Cb -0.01 -1.00 0.11 0.00 1.34 0.00 0.00 72.50 72.94 2e0g s THR 103 CO -0.06 0.00 0.92 -1.58 -0.54 0.00 0.00 174.62 173.37 2e0g s GLN 104 N -0.98 0.55 0.16 3.99 2.00 -1.26 -5.18 119.66 118.95 2e0g s GLN 104 Ca 0.02 0.76 -0.03 0.00 -2.00 0.00 0.00 55.36 54.12 2e0g s GLN 104 Cb -0.01 0.22 0.04 0.00 0.80 0.00 0.00 33.01 34.06 2e0g s GLN 104 CO -0.03 -0.08 0.14 -0.35 -0.50 0.00 0.00 175.29 174.48 2e0g n PRO 105 N 2.92 -1.31 -3.65 1.67 -0.04 -1.26 -5.10 135.00 128.22 2e0g n PRO 105 Ca -0.15 -0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.09 2e0g n PRO 105 Cb 0.57 -0.22 -0.01 0.00 -0.04 0.00 0.00 33.50 33.80 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 -3.33 0.53 0.00 0.54 0.74 -1.26 -5.36 119.66 111.52 2e0g s GLN 106 Ca 0.09 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.21 2e0g s GLN 106 Cb -0.01 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.28 2e0g s GLN 106 CO 0.07 -0.24 0.09 -2.13 -0.55 0.00 0.00 175.29 172.53