#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 -6.67 -4.90 -3.43 4.32 -1.26 -5.00 117.00 100.05 2e0g n LEU 2 Ca 0.00 -0.09 -0.28 0.00 -0.02 0.00 0.00 56.01 55.62 2e0g n LEU 2 Cb 0.00 -3.27 0.04 0.00 -1.62 0.00 0.00 43.42 38.57 2e0g n LEU 2 CO 0.00 -1.10 0.63 -0.44 -1.22 0.00 0.00 177.39 175.27 2e0g s SER 3 N -3.00 5.47 0.07 -1.43 0.01 -1.26 -4.89 113.70 108.69 2e0g s SER 3 Ca 0.00 0.88 -0.25 0.00 1.31 0.00 0.00 55.95 57.89 2e0g s SER 3 Cb -0.00 -1.76 -0.11 0.00 0.21 0.00 0.00 66.02 64.36 2e0g s SER 3 CO 0.75 -1.22 1.40 0.25 0.41 0.00 0.00 173.24 174.83 2e0g h LEU 4 N -0.41 -1.12 -0.24 2.44 7.12 -1.99 -1.05 115.31 120.06 2e0g h LEU 4 Ca -0.45 0.11 0.03 0.00 0.13 0.00 0.00 57.88 57.71 2e0g h LEU 4 Cb 1.26 0.41 -0.06 0.00 -0.53 0.00 0.00 40.66 41.73 2e0g h LEU 4 CO 0.62 -0.41 -0.46 -0.25 -0.13 0.00 0.00 178.44 177.80 2e0g h TRP 5 N -0.57 -1.41 -0.87 1.25 7.01 -1.98 0.21 115.95 119.60 2e0g h TRP 5 Ca -0.01 0.06 0.17 0.00 2.11 0.00 0.00 58.89 61.22 2e0g h TRP 5 Cb 0.56 0.64 -0.16 0.00 -2.10 0.00 0.00 29.16 28.10 2e0g h TRP 5 CO -0.38 -0.43 -0.25 1.96 -2.79 0.00 0.00 178.44 176.55 2e0g h GLN 6 N -0.41 -0.02 -0.46 2.65 4.20 -1.92 0.33 115.11 119.49 2e0g h GLN 6 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2e0g h GLN 6 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2e0g h GLN 6 CO -0.44 -0.01 0.24 0.37 -0.67 0.00 0.00 178.83 178.31 2e0g h GLN 7 N -0.02 0.64 -0.81 1.46 4.15 -0.04 -1.35 115.11 119.15 2e0g h GLN 7 Ca 0.39 -0.08 0.12 0.00 0.77 0.00 0.00 58.65 59.84 2e0g h GLN 7 Cb 0.63 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 2e0g h GLN 7 CO -0.89 0.53 0.43 0.00 -1.93 0.00 0.00 178.83 176.96 2e0g h LEU 9 N 0.67 -0.39 -0.98 0.00 3.38 -0.77 -1.89 115.31 115.33 2e0g h LEU 9 Ca 0.41 -0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.42 2e0g h LEU 9 Cb 0.49 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 2e0g h LEU 9 CO -0.30 0.03 0.58 0.00 0.09 0.00 0.00 178.44 178.84 2e0g h ALA 10 N -0.50 1.64 -0.43 1.53 0.00 -0.96 0.30 119.26 120.85 2e0g h ALA 10 Ca -0.05 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2e0g h ALA 10 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2e0g h ALA 10 CO 0.08 -0.11 -0.13 -0.09 0.00 0.00 0.00 179.25 179.00 2e0g h ARG 11 N 0.70 0.84 -0.02 0.00 1.12 -0.82 0.35 114.38 116.54 2e0g h ARG 11 Ca 0.58 -0.34 -0.10 0.00 -1.11 0.00 0.00 59.98 59.01 2e0g h ARG 11 Cb 0.94 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 2e0g h ARG 11 CO -0.41 0.97 -0.46 1.25 -3.11 0.00 0.00 179.97 178.22 2e0g h LEU 12 N 0.66 0.06 0.00 3.80 6.46 -0.14 0.11 115.31 126.26 2e0g h LEU 12 Ca 0.10 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2e0g h LEU 12 Cb 0.67 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2e0g h LEU 12 CO 0.05 0.51 -0.75 -0.61 -0.62 0.00 0.00 178.44 177.02 2e0g h GLN 13 N 0.05 0.00 0.11 1.25 5.75 -0.32 -3.32 115.11 118.63 2e0g h GLN 13 Ca 0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2e0g h GLN 13 Cb 0.83 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 2e0g h GLN 13 CO 0.06 0.00 -1.97 -0.25 -2.65 0.00 0.00 178.83 174.02 2e0g n ASP 14 N -2.35 1.95 -0.11 -0.69 8.00 0.12 -4.15 116.55 119.33 2e0g n ASP 14 Ca 0.02 0.23 0.01 0.00 0.71 0.00 0.00 54.79 55.76 2e0g n ASP 14 Cb 0.48 -0.74 0.31 0.00 -0.02 0.00 0.00 41.12 41.15 2e0g n ASP 14 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2e0g h GLU 15 N 0.06 0.76 -1.22 -1.24 4.81 -0.93 -3.46 114.58 113.36 2e0g h GLU 15 Ca -0.41 -0.07 0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2e0g h GLU 15 Cb 2.03 -0.16 -0.24 0.00 0.63 0.00 0.00 28.75 31.01 2e0g h GLU 15 CO 0.08 0.55 0.88 -0.51 -0.73 0.00 0.00 179.01 179.28 2e0g s LEU 16 N -9.59 -0.10 -0.61 1.64 1.43 -1.25 -5.11 118.68 105.10 2e0g s LEU 16 Ca -0.10 0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 2e0g s LEU 16 Cb 0.17 1.24 -0.02 0.00 0.03 0.00 0.00 46.19 47.61 2e0g s LEU 16 CO 0.76 -0.12 1.86 -2.16 0.23 0.00 0.00 176.35 176.93 2e0g s PRO 17 N -1.54 2.62 -0.39 1.29 0.04 -1.26 -4.37 135.00 131.39 2e0g s PRO 17 Ca 0.08 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.74 2e0g s PRO 17 Cb -0.01 -4.39 0.14 0.00 0.04 0.00 0.00 34.50 30.28 2e0g s PRO 17 CO -0.05 -2.74 0.24 0.00 0.04 0.00 0.00 177.00 174.49 2e0g s ALA 18 N 9.11 1.38 -0.18 8.56 0.00 -1.26 -4.96 121.76 134.41 2e0g s ALA 18 Ca 0.67 -2.18 0.23 0.00 0.00 0.00 0.00 51.96 50.68 2e0g s ALA 18 Cb -0.13 -1.69 1.22 0.00 0.00 0.00 0.00 23.12 22.53 2e0g s ALA 18 CO 0.20 -2.08 1.70 1.15 0.00 0.00 0.00 175.76 176.73 2e0g h THR 19 N 5.00 0.00 -0.09 0.00 2.02 -1.96 -3.17 112.91 114.71 2e0g h THR 19 Ca 0.08 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.25 2e0g h THR 19 Cb 0.94 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2e0g h THR 19 CO 0.35 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 175.71 2e0g h GLU 20 N 0.00 -0.17 -0.74 6.66 5.08 -2.00 0.41 114.58 123.83 2e0g h GLU 20 Ca 0.00 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 2e0g h GLU 20 Cb 0.02 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2e0g h GLU 20 CO 0.00 -0.11 0.52 0.27 -1.00 0.00 0.00 179.01 178.68 2e0g h PHE 21 N -0.18 0.15 0.00 4.33 -5.15 -1.91 0.57 116.94 114.75 2e0g h PHE 21 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 2e0g h PHE 21 Cb 0.23 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.35 2e0g h PHE 21 CO -0.56 0.05 0.00 0.43 -2.00 0.00 0.00 178.31 176.23 2e0g n SER 22 N -4.38 0.61 -0.06 -0.68 7.64 0.08 -1.64 113.62 115.20 2e0g n SER 22 Ca 0.15 0.71 -0.05 0.00 1.01 0.00 0.00 58.87 60.68 2e0g n SER 22 Cb 0.72 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 2e0g n SER 22 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2e0g n MET 23 N -2.24 1.91 -1.22 1.43 2.81 0.19 -3.78 117.12 116.22 2e0g n MET 23 Ca 0.01 -0.01 -0.23 0.00 -1.81 0.00 0.00 57.70 55.65 2e0g n MET 23 Cb 0.14 -1.32 0.18 0.00 -0.71 0.00 0.00 33.22 31.51 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 -2.43 3.00 0.00 2.03 7.02 -0.49 -4.32 117.44 122.25 2e0g n TRP 24 Ca -0.19 -1.87 0.00 0.00 -1.02 0.00 0.00 57.50 54.41 2e0g n TRP 24 Cb 0.87 -0.94 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 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 -1.14 0.00 0.28 -0.99 0.13 -0.65 -4.84 119.36 112.15 2e0g n ILE 25 Ca 0.59 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 62.07 2e0g n ILE 25 Cb 1.62 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 40.34 2e0g n ILE 25 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 2e0g h ARG 26 N 0.00 -0.85 0.00 9.51 2.43 -1.71 -1.78 114.38 121.98 2e0g h ARG 26 Ca 0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2e0g h ARG 26 Cb 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2e0g h ARG 26 CO 0.00 -0.57 0.00 -0.35 -1.51 0.00 0.00 179.97 177.54 2e0g n PRO 27 N -5.52 0.12 -2.96 0.20 -0.04 -1.26 -4.75 135.00 120.79 2e0g n PRO 27 Ca -0.11 0.19 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2e0g n PRO 27 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 3.86 -0.29 1.53 1.43 -0.67 -4.85 118.68 116.94 2e0g s LEU 28 Ca 0.11 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2e0g s LEU 28 Cb 0.10 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.54 2e0g s LEU 28 CO 0.24 -0.38 -0.02 -1.58 0.23 0.00 0.00 176.35 174.84 2e0g s GLN 29 N -3.97 2.43 0.47 1.70 -0.44 -0.44 -4.86 119.66 114.55 2e0g s GLN 29 Ca 0.48 -1.26 -0.07 0.00 -2.50 0.00 0.00 55.36 52.01 2e0g s GLN 29 Cb -0.10 -3.11 -0.04 0.00 -1.64 0.00 0.00 33.01 28.11 2e0g s GLN 29 CO 0.34 -0.59 0.80 0.00 0.50 0.00 0.00 175.29 176.33 2e0g s ALA 30 N 1.23 3.37 -0.18 1.58 0.00 -1.26 0.28 121.76 126.78 2e0g s ALA 30 Ca -0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 2e0g s ALA 30 Cb -0.20 -2.65 0.07 0.00 0.00 0.00 0.00 23.12 20.34 2e0g s ALA 30 CO -0.02 -0.29 0.41 -2.00 0.00 0.00 0.00 175.76 173.86 2e0g s GLU 31 N -4.54 0.35 -0.30 0.00 2.12 0.17 -4.93 118.70 111.58 2e0g s GLU 31 Ca 0.49 0.89 -0.20 0.00 0.36 0.00 0.00 54.97 56.51 2e0g s GLU 31 Cb -0.10 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2e0g s GLU 31 CO 0.42 -0.20 0.60 -0.51 -0.54 0.00 0.00 175.26 175.03 2e0g s LEU 32 N 1.96 4.13 -0.37 2.70 1.43 -1.26 -1.11 118.68 126.16 2e0g s LEU 32 Ca -0.06 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 2e0g s LEU 32 Cb -0.10 -2.78 0.45 0.00 0.03 0.00 0.00 46.19 43.79 2e0g s LEU 32 CO -0.13 -0.44 1.29 -1.20 0.23 0.00 0.00 176.35 176.10 2e0g n SER 33 N 5.80 5.25 -2.20 2.29 7.64 0.76 -4.98 113.62 128.18 2e0g n SER 33 Ca -0.02 -3.75 -0.03 0.00 1.01 0.00 0.00 58.87 56.08 2e0g n SER 33 Cb 0.49 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.69 -1.97 -0.67 6.43 8.00 -1.26 -4.19 116.55 122.20 2e0g n ASP 34 Ca 0.45 0.85 -0.09 0.00 0.71 0.00 0.00 54.79 56.72 2e0g n ASP 34 Cb 0.87 -3.68 -0.04 0.00 -0.02 0.00 0.00 41.12 38.25 2e0g n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2e0g n ASN 35 N 0.93 -5.28 -3.63 -2.24 5.15 -1.26 -4.94 115.26 103.99 2e0g n ASN 35 Ca -0.21 0.22 -0.27 0.00 -0.60 0.00 0.00 54.58 53.72 2e0g n ASN 35 Cb 0.33 -3.55 -0.17 0.00 -0.53 0.00 0.00 39.78 35.85 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2e0g s THR 36 N -1.91 0.04 -0.56 -0.44 2.01 -1.26 -1.97 115.64 111.55 2e0g s THR 36 Ca 0.00 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.59 2e0g s THR 36 Cb 0.00 -0.69 0.14 0.00 0.01 0.00 0.00 72.50 71.96 2e0g s THR 36 CO 0.00 -0.29 0.48 -0.22 -0.69 0.00 0.00 174.62 173.90 2e0g s LEU 37 N 2.08 6.05 0.32 4.42 2.96 -0.29 -0.17 118.68 134.05 2e0g s LEU 37 Ca 0.02 -2.02 -0.00 0.00 -0.22 0.00 0.00 54.13 51.91 2e0g s LEU 37 Cb -0.16 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2e0g s LEU 37 CO -0.10 -0.74 0.53 0.00 -1.32 0.00 0.00 176.35 174.72 2e0g s ALA 38 N 1.23 3.71 0.03 5.97 0.00 -0.27 0.08 121.76 132.51 2e0g s ALA 38 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2e0g s ALA 38 Cb -0.25 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 2e0g s ALA 38 CO -0.00 0.07 -0.05 -0.51 0.00 0.00 0.00 175.76 175.26 2e0g s LEU 39 N -4.11 2.26 -0.17 0.00 1.02 0.18 0.42 118.68 118.28 2e0g s LEU 39 Ca 0.40 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 54.01 2e0g s LEU 39 Cb -0.10 -0.02 0.01 0.00 0.02 0.00 0.00 46.19 46.10 2e0g s LEU 39 CO 0.34 -0.27 -0.16 -0.31 0.02 0.00 0.00 176.35 175.98 2e0g s TYR 40 N -1.51 2.80 0.30 0.29 1.51 0.14 -0.30 117.35 120.58 2e0g s TYR 40 Ca -0.12 -1.26 0.10 0.00 -1.01 0.00 0.00 57.07 54.77 2e0g s TYR 40 Cb -0.09 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 2e0g s TYR 40 CO -0.01 -0.62 -0.02 0.00 -1.11 0.00 0.00 175.55 173.80 2e0g s ALA 41 N 1.09 3.13 -0.59 3.71 0.00 0.61 -1.33 121.76 128.39 2e0g s ALA 41 Ca 0.00 -1.82 0.22 0.00 0.00 0.00 0.00 51.96 50.36 2e0g s ALA 41 Cb -0.14 -0.54 0.91 0.00 0.00 0.00 0.00 23.12 23.34 2e0g s ALA 41 CO -0.05 0.18 1.66 -0.35 0.00 0.00 0.00 175.76 177.19 2e0g n PRO 42 N -0.89 0.15 -3.81 0.00 -0.04 -1.26 0.63 135.00 129.78 2e0g n PRO 42 Ca -0.05 0.39 -0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2e0g n PRO 42 Cb 0.61 -1.80 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.98 0.02 0.17 3.54 4.22 -1.26 -4.44 114.94 113.21 2e0g s ASN 43 Ca 0.05 -1.16 0.10 0.00 -2.14 0.00 0.00 52.86 49.70 2e0g s ASN 43 Cb 0.09 0.84 -0.12 0.00 1.28 0.00 0.00 41.25 43.34 2e0g s ASN 43 CO 0.36 -1.68 1.33 -0.09 -2.04 0.00 0.00 177.10 174.98 2e0g h ARG 44 N 2.00 0.00 -0.64 3.55 2.43 -1.92 -3.31 114.38 116.49 2e0g h ARG 44 Ca -0.33 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 58.95 2e0g h ARG 44 Cb 1.25 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.72 2e0g h ARG 44 CO 0.42 0.84 0.23 0.35 -1.51 0.00 0.00 179.97 180.29 2e0g h PHE 45 N 0.00 0.39 -0.37 2.20 3.04 -1.99 -1.69 116.94 118.51 2e0g h PHE 45 Ca -0.01 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2e0g h PHE 45 Cb 1.65 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 40.07 2e0g h PHE 45 CO 0.00 0.07 0.14 0.28 -2.02 0.00 0.00 178.31 176.78 2e0g h VAL 46 N 0.39 1.20 -0.06 1.41 2.07 -1.99 -2.01 116.25 117.27 2e0g h VAL 46 Ca 0.33 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2e0g h VAL 46 Cb 0.44 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2e0g h VAL 46 CO -0.34 0.22 -0.52 -0.07 0.02 0.00 0.00 177.57 176.88 2e0g h LEU 47 N 0.46 -1.60 -0.32 2.57 3.38 -1.43 0.30 115.31 118.66 2e0g h LEU 47 Ca 0.12 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.33 2e0g h LEU 47 Cb 0.20 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2e0g h LEU 47 CO -0.01 -0.50 0.07 -0.78 0.09 0.00 0.00 178.44 177.31 2e0g h ASP 48 N -0.62 0.02 0.13 -0.43 3.58 -1.41 -1.02 116.42 116.67 2e0g h ASP 48 Ca 0.03 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.55 2e0g h ASP 48 Cb 0.70 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 2e0g h ASP 48 CO -0.39 0.05 -0.35 -0.25 -2.88 0.00 0.00 179.24 175.42 2e0g h TRP 49 N 0.18 -0.96 -0.61 0.28 2.91 -0.71 -1.22 115.95 115.82 2e0g h TRP 49 Ca 0.15 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.29 2e0g h TRP 49 Cb 0.16 0.40 -0.07 0.00 -0.51 0.00 0.00 29.16 29.14 2e0g h TRP 49 CO -0.18 -0.46 0.23 0.28 -1.03 0.00 0.00 178.44 177.29 2e0g h VAL 50 N -0.58 0.77 0.00 2.65 2.07 -0.19 0.31 116.25 121.28 2e0g h VAL 50 Ca 0.03 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2e0g h VAL 50 Cb 0.61 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2e0g h VAL 50 CO -0.20 0.07 0.00 -1.14 0.02 0.00 0.00 177.57 176.33 2e0g n ARG 51 N -4.99 0.10 -0.05 1.57 3.00 -0.41 -0.20 116.66 115.67 2e0g n ARG 51 Ca 0.09 0.47 -0.11 0.00 -0.00 0.00 0.00 57.85 58.30 2e0g n ARG 51 Cb 0.27 -1.74 -0.09 0.00 0.00 0.00 0.00 32.46 30.90 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 -0.02 0.00 6.15 3.58 0.82 -3.36 116.42 123.59 2e0g h ASP 52 Ca 0.00 -0.68 0.00 0.00 0.42 0.00 0.00 57.03 56.77 2e0g h ASP 52 Cb 0.16 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2e0g h ASP 52 CO 0.00 0.79 -0.72 2.29 -2.88 0.00 0.00 179.24 178.72 2e0g n LYS 53 N -4.70 0.38 -0.39 0.28 0.00 -1.08 -4.36 118.16 108.29 2e0g n LYS 53 Ca -0.08 0.15 -0.03 0.00 -0.00 0.00 0.00 58.31 58.36 2e0g n LYS 53 Cb 0.34 -1.16 0.02 0.00 -0.00 0.00 0.00 35.03 34.23 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 -3.95 -0.05 -0.08 5.58 9.36 0.72 -1.37 117.16 127.38 2e0g n TYR 54 Ca -0.10 1.22 -0.05 0.00 3.32 0.00 0.00 57.90 62.29 2e0g n TYR 54 Cb 0.37 -0.82 -0.04 0.00 -0.63 0.00 0.00 39.34 38.22 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 -0.72 -0.93 2.98 5.85 -1.56 0.31 115.31 121.24 2e0g h LEU 55 Ca 0.31 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.31 2e0g h LEU 55 Cb 0.56 0.30 -0.17 0.00 0.37 0.00 0.00 40.66 41.72 2e0g h LEU 55 CO -0.97 -0.14 -0.26 0.78 -0.34 0.00 0.00 178.44 177.51 2e0g h ASN 56 N -0.11 -0.98 0.91 1.25 2.35 -1.42 0.30 115.58 117.88 2e0g h ASN 56 Ca 0.03 0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 56.02 2e0g h ASN 56 Cb 0.21 0.61 0.01 0.00 0.05 0.00 0.00 38.32 39.19 2e0g h ASN 56 CO -0.25 -0.30 -0.47 0.78 -1.65 0.00 0.00 177.43 175.53 2e0g h ASN 57 N -0.01 -1.14 -0.16 5.81 2.35 -0.58 -1.93 115.58 119.92 2e0g h ASN 57 Ca 0.42 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.26 2e0g h ASN 57 Cb 0.66 0.31 -0.07 0.00 0.05 0.00 0.00 38.32 39.27 2e0g h ASN 57 CO -0.95 -0.78 -0.46 0.40 -1.65 0.00 0.00 177.43 173.99 2e0g h ILE 58 N -1.27 0.09 -0.61 2.81 1.08 0.11 -1.91 117.51 117.81 2e0g h ILE 58 Ca -0.12 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.45 2e0g h ILE 58 Cb 0.99 0.09 -0.12 0.00 -3.07 0.00 0.00 36.82 34.72 2e0g h ILE 58 CO 0.18 0.00 -0.34 0.78 -0.69 0.00 0.00 178.15 178.08 2e0g h ASN 59 N -0.51 -1.18 -0.93 1.72 -0.26 -0.47 0.37 115.58 114.32 2e0g h ASN 59 Ca 0.07 0.23 0.18 0.00 -0.56 0.00 0.00 56.30 56.22 2e0g h ASN 59 Cb 0.64 0.59 -0.08 0.00 -1.06 0.00 0.00 38.32 38.41 2e0g h ASN 59 CO -0.43 -0.30 0.60 1.23 -1.06 0.00 0.00 177.43 177.46 2e0g h GLY 60 N -0.16 1.19 0.23 2.83 0.00 -0.64 -1.88 103.07 104.64 2e0g h GLY 60 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2e0g h GLY 60 CO -0.69 0.01 -0.01 -2.00 0.00 0.00 0.00 176.54 173.85 2e0g h LEU 61 N 0.58 -0.02 -0.75 3.11 6.46 0.28 -1.07 115.31 123.90 2e0g h LEU 61 Ca 0.49 -0.70 0.17 0.00 -0.12 0.00 0.00 57.88 57.72 2e0g h LEU 61 Cb 0.98 0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 40.78 2e0g h LEU 61 CO -0.24 0.72 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.17 2e0g h LEU 62 N -0.80 -0.47 -0.05 2.25 3.38 0.09 0.67 115.31 120.37 2e0g h LEU 62 Ca -0.00 0.21 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 2e0g h LEU 62 Cb 0.72 0.39 0.02 0.00 0.09 0.00 0.00 40.66 41.88 2e0g h LEU 62 CO 0.00 -0.21 -0.95 0.74 0.09 0.00 0.00 178.44 178.12 2e0g h THR 63 N 0.06 1.28 0.00 0.22 2.02 -1.46 -3.01 112.91 112.02 2e0g h THR 63 Ca 0.39 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2e0g h THR 63 Cb 0.67 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2e0g h THR 63 CO -0.70 0.67 0.00 -1.28 0.37 0.00 0.00 175.52 174.58 2e0g h SER 64 N 0.42 0.00 0.00 4.18 0.87 0.32 -1.58 113.55 117.76 2e0g h SER 64 Ca -0.11 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2e0g h SER 64 Cb 1.59 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 2e0g h SER 64 CO 0.19 0.00 -0.19 0.15 -0.53 0.00 0.00 176.83 176.44 2e0g h PHE 65 N 0.00 0.00 0.00 2.24 3.57 0.34 -3.46 116.94 119.62 2e0g h PHE 65 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2e0g h PHE 65 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2e0g h PHE 65 CO 0.00 1.00 -0.12 0.00 -2.23 0.00 0.00 178.31 176.95 2e0g n GLY 67 N 1.69 2.58 0.18 0.00 0.00 -0.61 -4.68 105.19 104.35 2e0g n GLY 67 Ca 0.00 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 2.63 0.03 4.61 0.00 -1.26 -3.30 120.51 123.22 2e0g n ALA 68 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2e0g n ALA 68 Cb 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.52 0.17 -4.39 0.00 2.03 -1.26 -5.02 116.55 107.55 2e0g n ASP 69 Ca 0.21 -0.58 -0.51 0.00 0.52 0.00 0.00 54.79 54.43 2e0g n ASP 69 Cb 0.19 0.87 -0.11 0.00 -0.72 0.00 0.00 41.12 41.35 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0g n ALA 70 N -0.88 0.49 -1.00 -1.67 0.00 -1.21 -4.91 120.51 111.34 2e0g n ALA 70 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2e0g n ALA 70 Cb 0.01 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.13 2e0g n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e0g n PRO 71 N 8.06 -0.13 -4.33 0.00 -0.04 -1.26 -4.95 135.00 132.35 2e0g n PRO 71 Ca 0.53 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.82 2e0g n PRO 71 Cb 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.45 2e0g n PRO 71 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2e0g s GLN 72 N -1.68 1.28 0.09 0.54 -0.21 -0.83 -5.01 119.66 113.83 2e0g s GLN 72 Ca 0.00 -1.56 0.04 0.00 0.02 0.00 0.00 55.36 53.85 2e0g s GLN 72 Cb 0.00 -1.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.96 2e0g s GLN 72 CO 0.00 0.16 0.07 -0.51 -2.12 0.00 0.00 175.29 172.89 2e0g s LEU 73 N -3.29 3.74 0.08 2.90 2.01 -1.26 -1.14 118.68 121.73 2e0g s LEU 73 Ca 0.21 -0.06 0.04 0.00 0.01 0.00 0.00 54.13 54.33 2e0g s LEU 73 Cb 0.00 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 2e0g s LEU 73 CO 0.06 0.16 -0.11 -0.13 1.01 0.00 0.00 176.35 177.33 2e0g s ARG 74 N -2.48 0.80 0.02 1.70 0.52 0.11 -4.89 118.95 114.73 2e0g s ARG 74 Ca 0.29 -1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2e0g s ARG 74 Cb -0.12 -0.59 -0.02 0.00 0.52 0.00 0.00 34.95 34.75 2e0g s ARG 74 CO 0.21 0.11 -0.01 -0.06 0.02 0.00 0.00 175.30 175.57 2e0g s PHE 75 N -1.95 0.21 0.18 -0.53 0.08 -1.26 0.48 117.98 115.19 2e0g s PHE 75 Ca 0.01 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.48 2e0g s PHE 75 Cb -0.06 -0.15 0.02 0.00 -0.57 0.00 0.00 43.02 42.26 2e0g s PHE 75 CO 0.01 -0.17 0.46 -2.00 -0.10 0.00 0.00 175.22 173.42 2e0g s GLU 76 N -1.25 1.29 -0.41 0.44 2.56 0.59 -4.86 118.70 117.05 2e0g s GLU 76 Ca -0.14 -0.89 -0.12 0.00 0.00 0.00 0.00 54.97 53.83 2e0g s GLU 76 Cb -0.08 0.49 0.05 0.00 2.00 0.00 0.00 34.13 36.58 2e0g s GLU 76 CO -0.01 -0.53 0.27 0.08 -0.56 0.00 0.00 175.26 174.51 2e0g s VAL 77 N -3.88 4.65 0.54 3.70 1.01 -1.26 -0.29 120.40 124.87 2e0g s VAL 77 Ca 0.09 -1.05 0.34 0.00 0.00 0.00 0.00 61.98 61.37 2e0g s VAL 77 Cb 0.00 -3.70 0.51 0.00 0.00 0.00 0.00 36.38 33.19 2e0g s VAL 77 CO -0.04 -0.39 1.85 1.23 0.00 0.00 0.00 175.10 177.75 2e0g h GLY 78 N 8.50 0.01 -2.33 4.51 0.00 -0.10 -3.41 103.07 110.26 2e0g h GLY 78 Ca -0.25 -0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.59 2e0g h GLY 78 CO 0.74 -0.00 0.20 -0.51 0.00 0.00 0.00 176.54 176.96 2e0g s THR 79 N -4.97 4.67 0.24 4.70 -4.23 -1.26 -5.07 115.64 109.72 2e0g s THR 79 Ca -0.05 0.90 0.09 0.00 -1.18 0.00 0.00 61.69 61.46 2e0g s THR 79 Cb 0.22 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2e0g s THR 79 CO 0.79 -0.48 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.81 2e0g s LYS 80 N -3.69 2.21 1.03 3.99 1.02 -1.26 -5.02 119.74 118.01 2e0g s LYS 80 Ca 0.55 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 55.01 2e0g s LYS 80 Cb -0.10 -2.15 0.20 0.00 -0.52 0.00 0.00 37.83 35.27 2e0g s LYS 80 CO 0.27 0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 174.93 2e0g s PRO 81 N -3.44 0.20 0.11 -1.68 0.04 -1.26 -5.04 135.00 123.93 2e0g s PRO 81 Ca 0.30 0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.71 2e0g s PRO 81 Cb -0.07 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2e0g s PRO 81 CO 0.18 -2.87 0.39 0.54 0.04 0.00 0.00 177.00 175.29 2e0g s VAL 82 N -2.97 5.13 -0.17 -0.36 0.11 -1.26 -5.09 120.40 115.79 2e0g s VAL 82 Ca 0.66 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.96 2e0g s VAL 82 Cb -0.18 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2e0g s VAL 82 CO 0.58 0.17 -0.12 0.42 -3.33 0.00 0.00 175.10 172.81 2e0g s THR 83 N -1.53 2.92 -0.30 5.04 -4.23 -1.26 -5.05 115.64 111.23 2e0g s THR 83 Ca 0.37 -0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 2e0g s THR 83 Cb -0.13 -2.26 0.18 0.00 1.34 0.00 0.00 72.50 71.62 2e0g s THR 83 CO 0.21 0.49 1.21 -1.58 -0.54 0.00 0.00 174.62 174.41 2e0g s GLN 84 N 0.96 0.02 -0.43 3.99 0.74 -1.26 -5.10 119.66 118.57 2e0g s GLN 84 Ca -0.02 0.02 0.06 0.00 0.05 0.00 0.00 55.36 55.48 2e0g s GLN 84 Cb -0.15 0.01 0.22 0.00 1.10 0.00 0.00 33.01 34.19 2e0g s GLN 84 CO -0.01 -0.03 0.58 0.25 -0.55 0.00 0.00 175.29 175.53 2e0g n THR 85 N 5.24 -0.60 -1.14 -0.34 -2.24 -1.26 -5.14 114.28 108.80 2e0g n THR 85 Ca 0.01 -2.91 -0.29 0.00 -2.27 0.00 0.00 64.05 58.59 2e0g n THR 85 Cb 0.57 -0.75 0.20 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.18 -0.05 -0.29 -0.78 0.04 -1.26 -5.09 135.00 127.39 2e0g s PRO 86 Ca 0.33 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 2e0g s PRO 86 Cb 0.12 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 33.16 2e0g s PRO 86 CO -0.15 -3.02 1.38 -1.14 0.04 0.00 0.00 177.00 174.11 2e0g s GLN 87 N -5.07 0.04 -0.28 4.56 2.00 -1.26 -5.19 119.66 114.47 2e0g s GLN 87 Ca 0.67 0.01 -0.29 0.00 -2.00 0.00 0.00 55.36 53.75 2e0g s GLN 87 Cb -0.17 0.02 0.19 0.00 0.80 0.00 0.00 33.01 33.85 2e0g s GLN 87 CO 0.57 -0.01 1.34 0.00 -0.50 0.00 0.00 175.29 176.69 2e0g s ALA 88 N -0.93 -2.11 -0.30 1.58 0.00 -1.26 -5.18 121.76 113.56 2e0g s ALA 88 Ca 0.09 1.88 -0.25 0.00 0.00 0.00 0.00 51.96 53.68 2e0g s ALA 88 Cb -0.01 -1.45 0.19 0.00 0.00 0.00 0.00 23.12 21.85 2e0g s ALA 88 CO -0.09 -0.25 1.43 0.00 0.00 0.00 0.00 175.76 176.85 2e0g s ALA 89 N -1.05 -2.22 0.01 0.00 0.00 -1.26 -5.18 121.76 112.07 2e0g s ALA 89 Ca 0.08 1.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 2e0g s ALA 89 Cb -0.01 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2e0g s ALA 89 CO -0.07 -0.10 0.24 0.54 0.00 0.00 0.00 175.76 176.36 2e0g s VAL 90 N 0.03 0.08 -0.27 0.00 0.11 -1.26 -5.17 120.40 113.92 2e0g s VAL 90 Ca 0.07 -0.68 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 2e0g s VAL 90 Cb -0.05 -0.71 0.19 0.00 -1.53 0.00 0.00 36.38 34.27 2e0g s VAL 90 CO -0.15 -0.38 1.33 0.28 -3.33 0.00 0.00 175.10 172.85 2e0g s THR 91 N -1.90 0.00 -0.30 5.04 -1.32 -1.26 -5.18 115.64 110.72 2e0g s THR 91 Ca -0.10 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.11 2e0g s THR 91 Cb -0.04 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.15 2e0g s THR 91 CO 0.00 0.00 1.42 -0.44 -2.21 0.00 0.00 174.62 173.39 2e0g s SER 92 N -0.92 -0.02 -0.30 8.08 0.01 -1.26 -5.17 113.70 114.12 2e0g s SER 92 Ca 0.08 0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.20 2e0g s SER 92 Cb -0.01 0.03 0.21 0.00 0.21 0.00 0.00 66.02 66.46 2e0g s SER 92 CO -0.08 -0.01 1.29 0.21 0.41 0.00 0.00 173.24 175.06 2e0g s ASN 93 N -0.51 -0.03 0.01 2.44 3.84 -1.26 -5.18 114.94 114.25 2e0g s ASN 93 Ca 0.09 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.21 2e0g s ASN 93 Cb -0.03 1.02 -0.01 0.00 -0.55 0.00 0.00 41.25 41.68 2e0g s ASN 93 CO -0.12 -0.01 -0.02 0.54 -2.79 0.00 0.00 177.10 174.70 2e0g s VAL 94 N 1.35 0.08 -0.29 -5.21 0.11 -1.26 -5.15 120.40 110.03 2e0g s VAL 94 Ca -0.05 -0.62 -0.26 0.00 -2.93 0.00 0.00 61.98 58.12 2e0g s VAL 94 Cb -0.02 -0.19 0.19 0.00 -1.53 0.00 0.00 36.38 34.84 2e0g s VAL 94 CO -0.12 -0.34 1.41 0.00 -3.33 0.00 0.00 175.10 172.73 2e0g s ALA 95 N -0.99 -2.19 -0.32 1.54 0.00 -1.26 -5.12 121.76 113.43 2e0g s ALA 95 Ca -0.11 1.74 -0.05 0.00 0.00 0.00 0.00 51.96 53.54 2e0g s ALA 95 Cb -0.07 -1.70 0.25 0.00 0.00 0.00 0.00 23.12 21.61 2e0g s ALA 95 CO -0.01 -0.14 1.22 0.00 0.00 0.00 0.00 175.76 176.83 2e0g n ALA 96 N 1.29 -3.85 -1.15 0.00 0.00 -1.26 -5.17 120.51 110.37 2e0g n ALA 96 Ca -0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 2e0g n ALA 96 Cb 0.57 -3.44 0.19 0.00 0.00 0.00 0.00 19.45 16.78 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 0.04 -0.27 0.00 0.04 -1.26 -5.08 135.00 128.89 2e0g s PRO 97 Ca 0.24 0.38 -0.33 0.00 0.04 0.00 0.00 61.00 61.34 2e0g s PRO 97 Cb 0.18 -1.70 0.17 0.00 0.04 0.00 0.00 34.50 33.19 2e0g s PRO 97 CO -0.09 -2.97 1.33 0.00 0.04 0.00 0.00 177.00 175.32 2e0g s ALA 98 N -2.97 -2.14 -0.29 8.56 0.00 -1.26 -5.19 121.76 118.47 2e0g s ALA 98 Ca 0.66 1.85 -0.27 0.00 0.00 0.00 0.00 51.96 54.21 2e0g s ALA 98 Cb -0.17 -0.92 0.19 0.00 0.00 0.00 0.00 23.12 22.23 2e0g s ALA 98 CO 0.57 -0.40 1.42 -1.14 0.00 0.00 0.00 175.76 176.22 2e0g s GLN 99 N -1.57 0.04 -0.25 0.00 0.74 -1.26 -5.19 119.66 112.17 2e0g s GLN 99 Ca 0.10 0.03 -0.29 0.00 0.05 0.00 0.00 55.36 55.25 2e0g s GLN 99 Cb -0.01 0.02 0.17 0.00 1.10 0.00 0.00 33.01 34.29 2e0g s GLN 99 CO -0.05 -0.01 1.26 0.54 -0.55 0.00 0.00 175.29 176.48 2e0g s VAL 100 N -0.47 0.00 -0.26 1.34 0.11 -1.26 -5.19 120.40 114.67 2e0g s VAL 100 Ca 0.08 0.00 -0.37 0.00 -2.93 0.00 0.00 61.98 58.77 2e0g s VAL 100 Cb -0.03 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.97 2e0g s VAL 100 CO -0.12 0.00 1.32 0.00 -3.33 0.00 0.00 175.10 172.97 2e0g s ALA 101 N -0.87 -2.16 -0.18 1.54 0.00 -1.26 -5.19 121.76 113.64 2e0g s ALA 101 Ca 0.06 1.82 -0.35 0.00 0.00 0.00 0.00 51.96 53.48 2e0g s ALA 101 Cb -0.01 -0.41 0.15 0.00 0.00 0.00 0.00 23.12 22.84 2e0g s ALA 101 CO -0.06 -0.53 1.35 -1.14 0.00 0.00 0.00 175.76 175.38 2e0g s GLN 102 N -2.06 0.13 -0.28 0.00 0.74 -1.26 -5.19 119.66 111.75 2e0g s GLN 102 Ca 0.11 -0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.17 2e0g s GLN 102 Cb -0.01 0.05 0.19 0.00 1.10 0.00 0.00 33.01 34.34 2e0g s GLN 102 CO -0.03 -0.06 1.35 -0.08 -0.55 0.00 0.00 175.29 175.91 2e0g s THR 103 N -2.16 0.00 -0.36 -0.34 -1.32 -1.26 -5.12 115.64 105.09 2e0g s THR 103 Ca 0.13 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.58 2e0g s THR 103 Cb 0.02 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.26 2e0g s THR 103 CO -0.04 0.00 1.14 1.67 -2.21 0.00 0.00 174.62 175.18 2e0g n GLN 104 N 0.63 0.19 -0.30 7.08 7.27 -1.26 -5.17 117.38 125.82 2e0g n GLN 104 Ca -0.02 -0.87 -0.09 0.00 0.07 0.00 0.00 57.00 56.10 2e0g n GLN 104 Cb 0.59 -0.29 0.07 0.00 2.41 0.00 0.00 30.24 33.02 2e0g n GLN 104 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2e0g n PRO 105 N 1.90 -1.64 -3.82 3.69 -0.04 -1.26 -5.10 135.00 128.73 2e0g n PRO 105 Ca 0.06 -0.51 -0.07 0.00 -0.04 0.00 0.00 63.50 62.93 2e0g n PRO 105 Cb 0.68 -0.48 0.01 0.00 -0.04 0.00 0.00 33.50 33.67 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 -3.72 1.98 0.00 0.54 -0.44 -1.26 -5.37 119.66 111.38 2e0g s GLN 106 Ca 0.21 -1.24 0.00 0.00 -2.50 0.00 0.00 55.36 51.83 2e0g s GLN 106 Cb -0.02 0.58 0.00 0.00 -1.64 0.00 0.00 33.01 31.93 2e0g s GLN 106 CO 0.16 -0.92 0.23 -2.13 0.50 0.00 0.00 175.29 173.13