#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 4.11 -0.09 -3.43 1.02 -1.26 -4.99 118.68 114.05 2e0g s LEU 2 Ca 0.00 2.11 0.03 0.00 0.02 0.00 0.00 54.13 56.29 2e0g s LEU 2 Cb 0.00 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.67 2e0g s LEU 2 CO 0.00 -1.19 -0.18 -0.44 0.02 0.00 0.00 176.35 174.57 2e0g s SER 3 N 4.50 3.68 0.12 2.29 0.01 -1.26 -5.03 113.70 118.00 2e0g s SER 3 Ca 0.80 -0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.45 2e0g s SER 3 Cb -0.33 -1.18 -0.07 0.00 0.21 0.00 0.00 66.02 64.66 2e0g s SER 3 CO 0.33 0.24 1.66 -0.07 0.41 0.00 0.00 173.24 175.81 2e0g h LEU 4 N 6.16 -0.53 0.46 2.44 -0.00 -1.99 -0.85 115.31 121.00 2e0g h LEU 4 Ca -0.32 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 2e0g h LEU 4 Cb 1.19 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 42.06 2e0g h LEU 4 CO 0.51 -0.25 -0.36 -0.25 -0.00 0.00 0.00 178.44 178.09 2e0g h TRP 5 N -0.31 -0.98 -1.12 1.13 7.01 -1.97 0.85 115.95 120.56 2e0g h TRP 5 Ca 0.05 -0.00 0.34 0.00 2.11 0.00 0.00 58.89 61.39 2e0g h TRP 5 Cb 0.37 0.37 -0.12 0.00 -2.10 0.00 0.00 29.16 27.67 2e0g h TRP 5 CO -0.22 -0.50 0.70 -0.56 -2.79 0.00 0.00 178.44 175.06 2e0g h GLN 6 N -0.79 0.26 0.07 2.65 3.07 -1.98 0.11 115.11 118.51 2e0g h GLN 6 Ca -0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 2e0g h GLN 6 Cb 0.66 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.16 2e0g h GLN 6 CO 0.01 0.17 -0.04 0.37 0.09 0.00 0.00 178.83 179.44 2e0g h GLN 7 N 0.27 -0.10 -0.93 0.06 4.15 -0.57 -1.58 115.11 116.42 2e0g h GLN 7 Ca 0.72 0.01 0.18 0.00 0.77 0.00 0.00 58.65 60.32 2e0g h GLN 7 Cb 1.91 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 29.52 2e0g h GLN 7 CO -0.44 0.36 0.51 0.00 -1.93 0.00 0.00 178.83 177.33 2e0g h LEU 9 N 0.66 -0.48 -0.98 0.00 3.38 -1.23 -1.80 115.31 114.86 2e0g h LEU 9 Ca 0.53 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.61 2e0g h LEU 9 Cb 0.82 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 2e0g h LEU 9 CO -0.39 -0.05 0.57 0.00 0.09 0.00 0.00 178.44 178.65 2e0g h ALA 10 N -0.85 1.61 -0.48 1.53 0.00 -0.85 0.25 119.26 120.47 2e0g h ALA 10 Ca -0.06 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2e0g h ALA 10 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2e0g h ALA 10 CO 0.10 -0.09 -0.07 -0.09 0.00 0.00 0.00 179.25 179.10 2e0g h ARG 11 N 0.71 0.89 -0.15 0.00 9.65 -0.56 0.32 114.38 125.24 2e0g h ARG 11 Ca 0.57 -0.32 -0.11 0.00 -1.10 0.00 0.00 59.98 59.02 2e0g h ARG 11 Cb 0.90 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.40 2e0g h ARG 11 CO -0.40 0.96 -0.39 1.25 2.80 0.00 0.00 179.97 184.20 2e0g h LEU 12 N 0.73 0.33 0.00 3.80 6.46 -0.09 0.12 115.31 126.67 2e0g h LEU 12 Ca 0.13 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2e0g h LEU 12 Cb 0.60 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2e0g h LEU 12 CO 0.04 0.70 -0.50 -0.61 -0.62 0.00 0.00 178.44 177.44 2e0g h GLN 13 N 0.27 0.00 0.13 1.25 5.75 -0.42 -3.28 115.11 118.82 2e0g h GLN 13 Ca 0.03 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.17 2e0g h GLN 13 Cb 0.81 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 2e0g h GLN 13 CO 0.06 0.00 -1.96 0.22 -2.65 0.00 0.00 178.83 174.50 2e0g h ASP 14 N 0.00 0.42 -0.40 -0.69 3.58 -0.06 -3.37 116.42 115.91 2e0g h ASP 14 Ca 0.00 -0.92 -0.02 0.00 0.42 0.00 0.00 57.03 56.52 2e0g h ASP 14 Cb 0.86 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2e0g h ASP 14 CO 0.00 1.82 0.20 -0.08 -2.88 0.00 0.00 179.24 178.30 2e0g h GLU 15 N 0.07 0.61 -1.26 0.28 4.81 -0.89 -3.46 114.58 114.75 2e0g h GLU 15 Ca -0.41 -0.07 0.26 0.00 -0.13 0.00 0.00 59.36 59.01 2e0g h GLU 15 Cb 2.04 -0.12 -0.22 0.00 0.63 0.00 0.00 28.75 31.08 2e0g h GLU 15 CO 0.10 0.48 0.88 -0.48 -0.73 0.00 0.00 179.01 179.25 2e0g s LEU 16 N -9.39 -0.09 -0.52 1.64 0.05 -1.23 -5.11 118.68 104.02 2e0g s LEU 16 Ca -0.08 0.04 -0.27 0.00 0.05 0.00 0.00 54.13 53.87 2e0g s LEU 16 Cb 0.17 1.25 -0.02 0.00 -2.05 0.00 0.00 46.19 45.54 2e0g s LEU 16 CO 0.75 -0.13 1.81 -2.16 -0.55 0.00 0.00 176.35 176.07 2e0g s PRO 17 N -1.82 2.89 -0.40 1.48 0.04 -1.26 -4.30 135.00 131.63 2e0g s PRO 17 Ca 0.09 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.02 2e0g s PRO 17 Cb -0.01 -4.31 0.16 0.00 0.04 0.00 0.00 34.50 30.38 2e0g s PRO 17 CO -0.05 -2.41 0.35 0.00 0.04 0.00 0.00 177.00 174.93 2e0g s ALA 18 N 8.22 0.59 -0.31 8.56 0.00 -1.26 -4.96 121.76 132.60 2e0g s ALA 18 Ca 0.70 -1.82 0.20 0.00 0.00 0.00 0.00 51.96 51.04 2e0g s ALA 18 Cb -0.15 -1.79 1.05 0.00 0.00 0.00 0.00 23.12 22.23 2e0g s ALA 18 CO 0.25 -2.07 1.62 2.41 0.00 0.00 0.00 175.76 177.97 2e0g n THR 19 N 3.44 1.08 -0.07 0.00 -1.04 -1.26 -3.23 114.28 113.21 2e0g n THR 19 Ca 0.20 0.64 -0.09 0.00 -2.04 0.00 0.00 64.05 62.76 2e0g n THR 19 Cb 0.45 -1.62 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 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 -0.26 -0.76 -2.82 4.39 -2.00 0.16 114.58 113.28 2e0g h GLU 20 Ca 0.00 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.91 2e0g h GLU 20 Cb 0.06 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2e0g h GLU 20 CO 0.00 -0.17 0.53 0.27 -1.16 0.00 0.00 179.01 178.48 2e0g h PHE 21 N -0.27 0.22 0.00 4.33 -5.15 -1.92 0.60 116.94 114.75 2e0g h PHE 21 Ca 0.04 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 2e0g h PHE 21 Cb 0.38 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 36.48 2e0g h PHE 21 CO -0.64 0.07 0.00 0.45 -2.00 0.00 0.00 178.31 176.18 2e0g n SER 22 N -4.40 0.64 -0.07 -0.68 2.88 0.50 -1.82 113.62 110.67 2e0g n SER 22 Ca 0.15 0.71 -0.07 0.00 -1.33 0.00 0.00 58.87 58.33 2e0g n SER 22 Cb 0.72 -0.83 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 2e0g n SER 22 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2e0g n MET 23 N -2.26 1.58 -1.23 -1.46 2.81 0.20 -3.54 117.12 113.21 2e0g n MET 23 Ca 0.01 -0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 2e0g n MET 23 Cb 0.15 -1.38 0.17 0.00 -0.71 0.00 0.00 33.22 31.45 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 -2.55 3.08 0.00 2.03 7.02 -0.55 -4.32 117.44 122.15 2e0g n TRP 24 Ca -0.24 -1.94 0.00 0.00 -1.02 0.00 0.00 57.50 54.30 2e0g n TRP 24 Cb 0.98 -0.99 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2e0g n TRP 24 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2e0g n ILE 25 N -1.12 0.00 0.18 -0.99 0.13 -0.76 -4.85 119.36 111.94 2e0g n ILE 25 Ca 0.60 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 62.08 2e0g n ILE 25 Cb 1.59 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 40.30 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 2e0g h ARG 26 N 0.00 -0.81 0.00 9.51 3.08 -1.71 -0.89 114.38 123.56 2e0g h ARG 26 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2e0g h ARG 26 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2e0g h ARG 26 CO 0.00 -0.54 0.00 -0.35 -1.07 0.00 0.00 179.97 178.01 2e0g n PRO 27 N -5.51 0.12 -2.55 0.04 -0.04 -1.26 -4.76 135.00 121.03 2e0g n PRO 27 Ca -0.10 0.19 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 2e0g n PRO 27 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.75 3.45 -0.25 1.53 1.43 -0.34 -4.90 118.68 116.85 2e0g s LEU 28 Ca 0.11 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 2e0g s LEU 28 Cb 0.10 -3.68 0.06 0.00 0.03 0.00 0.00 46.19 42.70 2e0g s LEU 28 CO 0.24 -0.81 -0.09 -1.58 0.23 0.00 0.00 176.35 174.35 2e0g s GLN 29 N -4.84 1.98 0.38 1.70 -0.44 -0.36 -4.90 119.66 113.17 2e0g s GLN 29 Ca 0.50 -1.20 -0.13 0.00 -2.50 0.00 0.00 55.36 52.03 2e0g s GLN 29 Cb -0.10 -2.77 -0.08 0.00 -1.64 0.00 0.00 33.01 28.42 2e0g s GLN 29 CO 0.44 -0.58 0.77 0.00 0.50 0.00 0.00 175.29 176.42 2e0g s ALA 30 N 1.22 3.31 -0.04 1.58 0.00 -1.26 0.27 121.76 126.85 2e0g s ALA 30 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 2e0g s ALA 30 Cb -0.20 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.19 2e0g s ALA 30 CO -0.05 0.13 0.06 -2.00 0.00 0.00 0.00 175.76 173.89 2e0g s GLU 31 N -3.46 -0.07 -0.20 0.00 2.12 0.11 -4.95 118.70 112.24 2e0g s GLU 31 Ca 0.53 0.35 -0.21 0.00 0.36 0.00 0.00 54.97 56.00 2e0g s GLU 31 Cb -0.10 -0.45 -0.02 0.00 0.26 0.00 0.00 34.13 33.81 2e0g s GLU 31 CO 0.25 -0.30 0.67 -0.51 -0.54 0.00 0.00 175.26 174.82 2e0g s LEU 32 N 1.97 4.13 -0.71 2.70 1.43 -1.26 -1.11 118.68 125.82 2e0g s LEU 32 Ca 0.02 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2e0g s LEU 32 Cb -0.12 -2.95 0.31 0.00 0.03 0.00 0.00 46.19 43.46 2e0g s LEU 32 CO -0.03 -0.32 1.10 -1.20 0.23 0.00 0.00 176.35 176.13 2e0g n SER 33 N 5.23 4.98 0.00 2.29 7.64 0.11 -4.92 113.62 128.94 2e0g n SER 33 Ca -0.00 -3.61 0.00 0.00 1.01 0.00 0.00 58.87 56.27 2e0g n SER 33 Cb 0.49 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2e0g n SER 33 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2e0g n ASP 34 N 0.18 0.00 -0.81 6.43 8.00 -1.26 -3.03 116.55 126.06 2e0g n ASP 34 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2e0g n ASP 34 Cb 0.37 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.46 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2e0g n ASN 35 N 2.84 0.13 -3.78 -2.24 4.13 -1.26 -5.07 115.26 110.01 2e0g n ASN 35 Ca 0.00 -1.80 -0.24 0.00 1.68 0.00 0.00 54.58 54.22 2e0g n ASN 35 Cb 0.00 -0.12 -0.17 0.00 -1.54 0.00 0.00 39.78 37.94 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 0.48 -0.77 3.41 2.01 -1.17 -1.47 115.64 118.14 2e0g s THR 36 Ca 0.08 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2e0g s THR 36 Cb 0.10 -0.69 0.20 0.00 0.01 0.00 0.00 72.50 72.11 2e0g s THR 36 CO -0.04 0.18 0.71 -0.22 -0.69 0.00 0.00 174.62 174.56 2e0g s LEU 37 N 1.92 6.63 0.41 4.42 2.96 0.12 0.07 118.68 135.21 2e0g s LEU 37 Ca 0.04 -2.49 -0.11 0.00 -0.22 0.00 0.00 54.13 51.35 2e0g s LEU 37 Cb -0.13 -2.21 -0.06 0.00 0.50 0.00 0.00 46.19 44.28 2e0g s LEU 37 CO -0.06 -0.64 0.78 0.00 -1.32 0.00 0.00 176.35 175.11 2e0g s ALA 38 N 0.49 3.34 -0.05 5.97 0.00 -0.27 0.20 121.76 131.44 2e0g s ALA 38 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.96 2e0g s ALA 38 Cb -0.14 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 2e0g s ALA 38 CO -0.06 -0.03 -0.18 -1.17 0.00 0.00 0.00 175.76 174.32 2e0g s LEU 39 N -3.88 1.91 -0.31 0.00 1.98 0.15 0.05 118.68 118.59 2e0g s LEU 39 Ca 0.52 -0.37 -0.08 0.00 -2.89 0.00 0.00 54.13 51.31 2e0g s LEU 39 Cb -0.10 -1.00 0.01 0.00 0.66 0.00 0.00 46.19 45.76 2e0g s LEU 39 CO 0.32 0.15 0.12 -0.31 -1.89 0.00 0.00 176.35 174.74 2e0g s TYR 40 N 0.08 3.18 0.28 5.38 1.51 0.14 -0.85 117.35 127.06 2e0g s TYR 40 Ca -0.05 -0.88 0.10 0.00 -1.01 0.00 0.00 57.07 55.22 2e0g s TYR 40 Cb -0.12 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 2e0g s TYR 40 CO 0.03 -0.56 -0.00 0.00 -1.11 0.00 0.00 175.55 173.90 2e0g s ALA 41 N 1.53 3.17 -0.13 3.71 0.00 0.24 -1.23 121.76 129.05 2e0g s ALA 41 Ca 0.03 -1.71 0.30 0.00 0.00 0.00 0.00 51.96 50.57 2e0g s ALA 41 Cb -0.18 -0.70 1.23 0.00 0.00 0.00 0.00 23.12 23.48 2e0g s ALA 41 CO 0.04 0.23 1.88 -1.00 0.00 0.00 0.00 175.76 176.91 2e0g h PRO 42 N 1.88 0.00 0.00 0.00 0.13 -1.90 0.39 132.00 132.49 2e0g h PRO 42 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 2e0g h PRO 42 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2e0g h PRO 42 CO 0.61 0.00 0.07 0.27 -0.23 0.00 0.00 178.00 178.72 2e0g n ASN 43 N -2.72 -1.78 0.06 1.44 6.94 -1.26 -4.83 115.26 113.11 2e0g n ASN 43 Ca 0.01 -2.67 -0.04 0.00 -0.02 0.00 0.00 54.58 51.86 2e0g n ASN 43 Cb 0.26 3.09 -0.09 0.00 -2.36 0.00 0.00 39.78 40.69 2e0g n ASN 43 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2e0g h ARG 44 N 0.00 0.00 -0.51 -3.83 2.43 -1.93 -3.34 114.38 107.20 2e0g h ARG 44 Ca -0.29 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2e0g h ARG 44 Cb 1.17 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 2e0g h ARG 44 CO 0.38 0.73 -0.08 0.74 -1.51 0.00 0.00 179.97 180.23 2e0g h PHE 45 N 0.00 -0.19 -0.54 2.20 0.04 -2.00 -0.97 116.94 115.49 2e0g h PHE 45 Ca -0.07 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2e0g h PHE 45 Cb 1.71 0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.99 2e0g h PHE 45 CO 0.00 -0.19 0.35 0.28 -0.60 0.00 0.00 178.31 178.15 2e0g h VAL 46 N 0.04 1.12 0.22 -0.55 2.07 -1.99 -1.94 116.25 115.21 2e0g h VAL 46 Ca 0.25 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2e0g h VAL 46 Cb 0.39 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2e0g h VAL 46 CO -0.49 0.13 -0.50 -0.07 0.02 0.00 0.00 177.57 176.66 2e0g h LEU 47 N 0.71 -1.46 -0.42 2.57 3.38 -1.34 0.27 115.31 119.02 2e0g h LEU 47 Ca 0.20 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.40 2e0g h LEU 47 Cb -0.06 0.53 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2e0g h LEU 47 CO -0.06 -0.57 -0.01 -0.78 0.09 0.00 0.00 178.44 177.11 2e0g h ASP 48 N -0.80 -0.20 0.26 -0.43 1.82 -1.25 0.51 116.42 116.32 2e0g h ASP 48 Ca -0.01 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2e0g h ASP 48 Cb 0.77 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 2e0g h ASP 48 CO -0.22 -0.06 -0.29 -0.25 -1.61 0.00 0.00 179.24 176.81 2e0g h TRP 49 N 0.09 -0.77 -0.67 0.28 2.91 -0.89 -1.52 115.95 115.40 2e0g h TRP 49 Ca 0.21 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.32 2e0g h TRP 49 Cb 0.30 0.30 -0.07 0.00 -0.51 0.00 0.00 29.16 29.19 2e0g h TRP 49 CO -0.29 -0.41 0.31 0.28 -1.03 0.00 0.00 178.44 177.30 2e0g h VAL 50 N -0.58 0.83 0.00 2.65 2.07 -0.04 0.25 116.25 121.43 2e0g h VAL 50 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2e0g h VAL 50 Cb 0.55 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2e0g h VAL 50 CO -0.08 0.10 0.00 -1.14 0.02 0.00 0.00 177.57 176.47 2e0g n ARG 51 N -4.90 0.13 -0.04 1.57 0.00 0.13 -0.36 116.66 113.19 2e0g n ARG 51 Ca 0.10 0.49 -0.11 0.00 -0.00 0.00 0.00 57.85 58.32 2e0g n ARG 51 Cb 0.26 -1.83 -0.10 0.00 0.00 0.00 0.00 32.46 30.80 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 -0.03 0.00 6.15 1.82 0.54 -3.36 116.42 121.54 2e0g h ASP 52 Ca 0.00 -0.70 0.00 0.00 -0.39 0.00 0.00 57.03 55.94 2e0g h ASP 52 Cb 0.19 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.21 2e0g h ASP 52 CO 0.00 0.78 -0.50 2.29 -1.61 0.00 0.00 179.24 180.21 2e0g n LYS 53 N -4.70 0.26 -0.35 0.28 0.00 -1.10 -4.35 118.16 108.20 2e0g n LYS 53 Ca -0.08 0.10 -0.04 0.00 -0.00 0.00 0.00 58.31 58.30 2e0g n LYS 53 Cb 0.35 -0.95 -0.00 0.00 -0.00 0.00 0.00 35.03 34.43 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 -3.50 -0.10 -0.07 5.58 9.36 0.51 -1.14 117.16 127.80 2e0g n TYR 54 Ca -0.07 1.10 -0.05 0.00 3.32 0.00 0.00 57.90 62.21 2e0g n TYR 54 Cb 0.26 -0.76 -0.03 0.00 -0.63 0.00 0.00 39.34 38.18 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 -0.68 -0.94 2.98 5.85 -1.55 0.26 115.31 121.23 2e0g h LEU 55 Ca 0.26 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.22 2e0g h LEU 55 Cb 0.48 0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.64 2e0g h LEU 55 CO -0.87 -0.13 -0.40 -1.13 -0.34 0.00 0.00 178.44 175.58 2e0g h ASN 56 N -0.11 -1.45 0.59 1.25 -1.24 -1.33 0.43 115.58 113.73 2e0g h ASN 56 Ca 0.03 0.30 -0.02 0.00 0.71 0.00 0.00 56.30 57.32 2e0g h ASN 56 Cb 0.19 0.75 -0.02 0.00 0.73 0.00 0.00 38.32 39.98 2e0g h ASN 56 CO -0.24 -0.29 -0.50 0.78 -1.29 0.00 0.00 177.43 175.90 2e0g h ASN 57 N -0.02 -1.32 -0.40 1.15 2.35 -0.67 -2.03 115.58 114.62 2e0g h ASN 57 Ca 0.32 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 56.25 2e0g h ASN 57 Cb 0.58 0.42 -0.09 0.00 0.05 0.00 0.00 38.32 39.29 2e0g h ASN 57 CO -0.95 -0.69 -0.22 0.40 -1.65 0.00 0.00 177.43 174.32 2e0g h ILE 58 N -1.06 0.38 -0.39 2.81 1.08 0.97 -2.02 117.51 119.27 2e0g h ILE 58 Ca -0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 2e0g h ILE 58 Cb 0.90 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 34.94 2e0g h ILE 58 CO -0.01 0.00 -0.43 0.78 -0.69 0.00 0.00 178.15 177.80 2e0g h ASN 59 N -0.15 -1.43 -0.96 1.72 2.35 -0.03 0.32 115.58 117.39 2e0g h ASN 59 Ca 0.19 0.22 0.19 0.00 -0.55 0.00 0.00 56.30 56.35 2e0g h ASN 59 Cb 0.45 0.62 -0.09 0.00 0.05 0.00 0.00 38.32 39.36 2e0g h ASN 59 CO -0.49 -0.37 0.61 1.23 -1.65 0.00 0.00 177.43 176.75 2e0g h GLY 60 N -0.34 1.40 0.46 2.83 0.00 -0.69 -1.59 103.07 105.14 2e0g h GLY 60 Ca 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2e0g h GLY 60 CO -0.56 -0.01 -0.03 -2.00 0.00 0.00 0.00 176.54 173.94 2e0g h LEU 61 N 0.65 0.05 -0.44 3.11 6.46 -0.25 -2.10 115.31 122.79 2e0g h LEU 61 Ca 0.52 -0.57 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 2e0g h LEU 61 Cb 0.95 -0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.78 2e0g h LEU 61 CO -0.28 0.61 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.89 2e0g h LEU 62 N -0.52 -0.64 -0.29 2.25 4.07 0.29 0.60 115.31 121.08 2e0g h LEU 62 Ca 0.00 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 2e0g h LEU 62 Cb 0.60 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 2e0g h LEU 62 CO 0.01 -0.22 0.12 0.74 -1.08 0.00 0.00 178.44 178.01 2e0g h THR 63 N -0.09 1.17 0.00 0.22 2.02 -1.39 -1.05 112.91 113.79 2e0g h THR 63 Ca 0.21 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2e0g h THR 63 Cb 0.42 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2e0g h THR 63 CO -0.50 0.18 -0.03 -1.28 0.37 0.00 0.00 175.52 174.26 2e0g h SER 64 N 0.33 0.00 0.13 4.18 0.87 -0.59 0.32 113.55 118.79 2e0g h SER 64 Ca 0.10 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 2e0g h SER 64 Cb 0.16 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2e0g h SER 64 CO -0.01 0.03 -0.91 0.15 -0.53 0.00 0.00 176.83 175.56 2e0g h PHE 65 N 0.00 0.50 0.00 2.24 3.57 0.82 -3.45 116.94 120.62 2e0g h PHE 65 Ca -0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2e0g h PHE 65 Cb 0.31 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2e0g h PHE 65 CO 0.00 1.35 -0.29 0.00 -2.23 0.00 0.00 178.31 177.14 2e0g n GLY 67 N 1.94 -1.42 3.44 0.00 0.00 0.11 -4.61 105.19 104.65 2e0g n GLY 67 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.20 0.00 0.03 4.61 0.00 -1.26 -4.67 120.51 119.42 2e0g n ALA 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2e0g n ALA 68 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 3.27 -4.63 0.00 -0.08 -1.26 -5.05 116.55 108.80 2e0g n ASP 69 Ca 0.00 -0.14 -0.30 0.00 -1.51 0.00 0.00 54.79 52.84 2e0g n ASP 69 Cb 0.00 1.12 0.19 0.00 2.34 0.00 0.00 41.12 44.76 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 -2.01 0.97 1.00 -1.67 0.00 -1.26 -5.00 121.76 113.79 2e0g s ALA 70 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2e0g s ALA 70 Cb 0.02 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2e0g s ALA 70 CO 0.14 -3.00 0.00 -0.35 0.00 0.00 0.00 175.76 172.55 2e0g n PRO 71 N -4.38 0.09 -3.85 0.00 -0.04 -1.26 -5.01 135.00 120.56 2e0g n PRO 71 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2e0g n PRO 71 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.35 0.34 0.24 0.54 -2.07 -0.54 -5.00 119.66 111.82 2e0g s GLN 72 Ca 0.00 -0.10 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 2e0g s GLN 72 Cb 0.00 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 2e0g s GLN 72 CO 0.00 -0.07 0.44 -0.48 -1.32 0.00 0.00 175.29 173.86 2e0g s LEU 73 N -0.66 4.17 0.10 2.60 0.05 -1.26 0.12 118.68 123.80 2e0g s LEU 73 Ca -0.07 0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.54 2e0g s LEU 73 Cb -0.04 -3.22 -0.04 0.00 -2.05 0.00 0.00 46.19 40.83 2e0g s LEU 73 CO 0.01 -0.11 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.54 2e0g s ARG 74 N -3.59 0.83 0.01 1.48 0.52 0.13 -4.83 118.95 113.49 2e0g s ARG 74 Ca 0.39 -1.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 2e0g s ARG 74 Cb -0.11 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 2e0g s ARG 74 CO 0.30 -0.11 -0.05 -0.06 0.02 0.00 0.00 175.30 175.41 2e0g s PHE 75 N -3.79 0.45 0.14 -0.53 0.08 -1.26 0.32 117.98 113.40 2e0g s PHE 75 Ca 0.14 -0.22 -0.24 0.00 0.12 0.00 0.00 56.93 56.73 2e0g s PHE 75 Cb 0.07 -0.28 0.07 0.00 -0.57 0.00 0.00 43.02 42.30 2e0g s PHE 75 CO -0.04 -0.04 0.78 -2.00 -0.10 0.00 0.00 175.22 173.82 2e0g s GLU 76 N -0.61 1.26 -0.47 0.44 2.12 -0.03 -4.87 118.70 116.53 2e0g s GLU 76 Ca -0.03 -0.58 -0.18 0.00 0.36 0.00 0.00 54.97 54.54 2e0g s GLU 76 Cb -0.05 0.50 0.05 0.00 0.26 0.00 0.00 34.13 34.90 2e0g s GLU 76 CO -0.00 -0.56 0.52 0.08 -0.54 0.00 0.00 175.26 174.75 2e0g s VAL 77 N -3.53 5.02 0.00 3.70 1.01 -1.26 -0.59 120.40 124.75 2e0g s VAL 77 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2e0g s VAL 77 Cb -0.02 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2e0g s VAL 77 CO -0.04 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.02 2e0g n GLY 78 N 5.16 0.86 4.00 4.51 0.00 0.14 -4.77 105.19 115.09 2e0g n GLY 78 Ca -0.08 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 2e0g n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e0g s THR 79 N 0.00 2.40 -0.73 2.61 -1.32 -1.26 -4.81 115.64 112.53 2e0g s THR 79 Ca 0.00 -0.74 -0.05 0.00 -1.21 0.00 0.00 61.69 59.70 2e0g s THR 79 Cb 0.00 -2.66 0.19 0.00 -1.51 0.00 0.00 72.50 68.51 2e0g s THR 79 CO 0.00 0.00 0.58 -0.75 -2.21 0.00 0.00 174.62 172.24 2e0g s LYS 80 N -4.84 2.94 1.00 7.08 2.36 -1.26 -5.08 119.74 121.93 2e0g s LYS 80 Ca 0.61 -2.70 -0.12 0.00 -2.55 0.00 0.00 55.97 51.21 2e0g s LYS 80 Cb -0.07 -3.92 0.19 0.00 -1.05 0.00 0.00 37.83 32.97 2e0g s LYS 80 CO 0.40 -1.22 1.09 -1.25 1.55 0.00 0.00 175.35 175.93 2e0g s PRO 81 N -0.34 0.45 0.21 4.03 0.04 -1.26 -5.04 135.00 133.10 2e0g s PRO 81 Ca 0.20 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 61.64 2e0g s PRO 81 Cb -0.16 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2e0g s PRO 81 CO -0.06 -2.72 0.59 0.08 0.04 0.00 0.00 177.00 174.92 2e0g s VAL 82 N -2.96 4.84 0.29 -0.36 1.01 -1.26 -5.09 120.40 116.87 2e0g s VAL 82 Ca 0.65 0.73 0.02 0.00 0.00 0.00 0.00 61.98 63.39 2e0g s VAL 82 Cb -0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2e0g s VAL 82 CO 0.58 0.05 0.13 0.28 0.00 0.00 0.00 175.10 176.14 2e0g s THR 83 N -1.68 0.48 -0.18 3.92 -1.32 -1.26 -5.15 115.64 110.45 2e0g s THR 83 Ca 0.44 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2e0g s THR 83 Cb -0.13 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2e0g s THR 83 CO 0.20 0.00 -0.15 -1.58 -2.21 0.00 0.00 174.62 170.87 2e0g s GLN 84 N -3.91 3.14 -0.43 7.08 0.74 -1.26 -5.04 119.66 119.99 2e0g s GLN 84 Ca 0.36 -0.76 0.07 0.00 0.05 0.00 0.00 55.36 55.07 2e0g s GLN 84 Cb 0.06 -2.68 0.22 0.00 1.10 0.00 0.00 33.01 31.72 2e0g s GLN 84 CO 0.16 -0.14 0.56 0.25 -0.55 0.00 0.00 175.29 175.57 2e0g n THR 85 N 4.48 -0.65 -1.23 -0.34 -2.24 -1.26 -5.14 114.28 107.90 2e0g n THR 85 Ca -0.20 -3.12 -0.31 0.00 -2.27 0.00 0.00 64.05 58.15 2e0g n THR 85 Cb 0.51 -0.98 0.11 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.33 1.91 0.33 -0.78 0.04 -1.26 -5.07 135.00 129.84 2e0g s PRO 86 Ca 0.33 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2e0g s PRO 86 Cb 0.13 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.86 2e0g s PRO 86 CO -0.15 -1.85 0.84 1.14 0.04 0.00 0.00 177.00 177.01 2e0g s GLN 87 N -4.91 1.98 -0.23 4.56 -2.07 -1.26 -5.19 119.66 112.53 2e0g s GLN 87 Ca 0.62 -1.25 -0.37 0.00 -1.82 0.00 0.00 55.36 52.54 2e0g s GLN 87 Cb -0.17 0.57 0.15 0.00 -1.09 0.00 0.00 33.01 32.46 2e0g s GLN 87 CO 0.56 -0.92 1.33 0.00 -1.32 0.00 0.00 175.29 174.94 2e0g s ALA 88 N -2.46 -2.19 -0.28 2.60 0.00 -1.26 -5.19 121.76 112.98 2e0g s ALA 88 Ca 0.16 1.69 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 2e0g s ALA 88 Cb -0.05 -0.23 0.19 0.00 0.00 0.00 0.00 23.12 23.03 2e0g s ALA 88 CO 0.09 -0.63 1.34 0.00 0.00 0.00 0.00 175.76 176.57 2e0g s ALA 89 N -2.17 -2.11 0.01 0.00 0.00 -1.26 -5.18 121.76 111.05 2e0g s ALA 89 Ca 0.11 1.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.83 2e0g s ALA 89 Cb -0.00 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2e0g s ALA 89 CO -0.03 -0.23 0.21 0.54 0.00 0.00 0.00 175.76 176.24 2e0g s VAL 90 N -0.94 0.08 0.37 0.00 0.11 -1.26 -5.17 120.40 113.59 2e0g s VAL 90 Ca 0.08 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 2e0g s VAL 90 Cb -0.01 -0.64 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 2e0g s VAL 90 CO -0.08 -0.38 0.77 -0.89 -3.33 0.00 0.00 175.10 171.19 2e0g s THR 91 N -1.75 0.00 0.06 5.04 2.01 -1.26 -5.19 115.64 114.55 2e0g s THR 91 Ca -0.11 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 2e0g s THR 91 Cb -0.05 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.83 2e0g s THR 91 CO 0.01 0.00 1.18 -0.94 -0.69 0.00 0.00 174.62 174.18 2e0g s SER 92 N -3.05 -0.03 -0.20 3.53 1.04 -1.26 -5.19 113.70 108.54 2e0g s SER 92 Ca 0.15 -0.33 -0.33 0.00 0.48 0.00 0.00 55.95 55.92 2e0g s SER 92 Cb -0.05 0.28 0.15 0.00 0.10 0.00 0.00 66.02 66.50 2e0g s SER 92 CO 0.11 -0.55 1.20 0.54 0.98 0.00 0.00 173.24 175.52 2e0g s ASN 93 N -3.37 -0.16 0.00 7.02 2.20 -1.26 -5.18 114.94 114.19 2e0g s ASN 93 Ca 0.21 0.08 -0.08 0.00 -0.94 0.00 0.00 52.86 52.13 2e0g s ASN 93 Cb 0.00 0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.41 2e0g s ASN 93 CO 0.00 -0.22 0.14 -0.69 -2.94 0.00 0.00 177.10 173.40 2e0g s VAL 94 N -1.88 0.08 0.34 3.54 1.01 -1.26 -5.17 120.40 117.07 2e0g s VAL 94 Ca 0.07 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2e0g s VAL 94 Cb -0.01 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.96 2e0g s VAL 94 CO -0.05 -0.37 0.63 0.00 0.00 0.00 0.00 175.10 175.31 2e0g s ALA 95 N -1.38 -0.19 0.07 5.51 0.00 -1.26 -5.19 121.76 119.32 2e0g s ALA 95 Ca -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2e0g s ALA 95 Cb -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 2e0g s ALA 95 CO 0.02 -0.91 0.05 0.00 0.00 0.00 0.00 175.76 174.92 2e0g s ALA 96 N -2.94 0.31 1.03 0.00 0.00 -1.26 -5.17 121.76 113.73 2e0g s ALA 96 Ca 0.21 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 2e0g s ALA 96 Cb -0.03 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.51 2e0g s ALA 96 CO 0.14 -0.42 0.13 -0.35 0.00 0.00 0.00 175.76 175.26 2e0g n PRO 97 N 0.04 -1.29 -3.64 0.00 -0.04 -1.26 -5.11 135.00 123.70 2e0g n PRO 97 Ca -0.14 -0.21 -0.05 0.00 -0.04 0.00 0.00 63.50 63.06 2e0g n PRO 97 Cb 0.62 -0.20 -0.07 0.00 -0.04 0.00 0.00 33.50 33.81 2e0g n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g s ALA 98 N -2.97 -2.15 0.03 0.55 0.00 -1.26 -5.18 121.76 110.77 2e0g s ALA 98 Ca 0.09 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 2e0g s ALA 98 Cb -0.01 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2e0g s ALA 98 CO 0.07 -0.19 0.34 -0.65 0.00 0.00 0.00 175.76 175.33 2e0g s GLN 99 N 0.30 0.82 -0.26 0.00 -0.21 -1.26 -5.17 119.66 113.88 2e0g s GLN 99 Ca 0.03 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.74 2e0g s GLN 99 Cb -0.05 0.36 0.17 0.00 1.00 0.00 0.00 33.01 34.50 2e0g s GLN 99 CO -0.11 -0.26 1.28 0.54 -2.12 0.00 0.00 175.29 174.61 2e0g s VAL 100 N -2.29 0.00 -0.03 1.09 0.11 -1.26 -5.19 120.40 112.83 2e0g s VAL 100 Ca -0.07 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 2e0g s VAL 100 Cb -0.02 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.95 2e0g s VAL 100 CO -0.01 0.00 1.31 0.00 -3.33 0.00 0.00 175.10 173.07 2e0g s ALA 101 N -0.71 -2.38 -0.12 1.54 0.00 -1.26 -5.19 121.76 113.64 2e0g s ALA 101 Ca 0.06 0.48 -0.33 0.00 0.00 0.00 0.00 51.96 52.17 2e0g s ALA 101 Cb -0.02 0.55 0.14 0.00 0.00 0.00 0.00 23.12 23.78 2e0g s ALA 101 CO -0.07 -1.09 1.30 -1.14 0.00 0.00 0.00 175.76 174.75 2e0g s GLN 102 N -2.20 0.27 0.24 0.00 0.74 -1.26 -5.19 119.66 112.25 2e0g s GLN 102 Ca 0.20 -0.13 -0.17 0.00 0.05 0.00 0.00 55.36 55.31 2e0g s GLN 102 Cb 0.03 0.10 0.02 0.00 1.10 0.00 0.00 33.01 34.26 2e0g s GLN 102 CO -0.03 -0.12 0.57 -0.08 -0.55 0.00 0.00 175.29 175.08 2e0g s THR 103 N -2.31 0.01 -0.17 -0.34 -1.32 -1.26 -5.18 115.64 105.07 2e0g s THR 103 Ca 0.12 -1.03 -0.14 0.00 -1.21 0.00 0.00 61.69 59.43 2e0g s THR 103 Cb 0.03 -1.90 0.05 0.00 -1.51 0.00 0.00 72.50 69.17 2e0g s THR 103 CO -0.04 -0.04 0.45 -1.58 -2.21 0.00 0.00 174.62 171.19 2e0g s GLN 104 N -3.93 0.50 0.12 7.08 0.74 -1.26 -5.17 119.66 117.74 2e0g s GLN 104 Ca 0.14 0.68 -0.02 0.00 0.05 0.00 0.00 55.36 56.21 2e0g s GLN 104 Cb -0.02 0.19 0.03 0.00 1.10 0.00 0.00 33.01 34.31 2e0g s GLN 104 CO 0.04 -0.09 0.11 -0.35 -0.55 0.00 0.00 175.29 174.45 2e0g n PRO 105 N 3.20 -1.24 -2.12 1.67 -0.04 -1.26 -5.11 135.00 130.11 2e0g n PRO 105 Ca -0.16 -0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.12 2e0g n PRO 105 Cb 0.57 -0.17 -0.00 0.00 -0.04 0.00 0.00 33.50 33.86 2e0g n PRO 105 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2e0g n GLN 106 N -1.85 0.10 0.00 0.54 7.27 -1.26 -5.37 117.38 116.81 2e0g n GLN 106 Ca 0.02 -0.18 0.15 0.00 0.07 0.00 0.00 57.00 57.06 2e0g n GLN 106 Cb 0.06 0.15 0.81 0.00 2.41 0.00 0.00 30.24 33.66 2e0g n GLN 106 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02