#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pth s ILE 2 N 0.00 5.31 -0.03 1.09 -1.09 -1.26 -4.45 121.20 120.77 2pth s ILE 2 Ca 0.00 0.16 0.13 0.00 -2.23 0.00 0.00 60.65 58.71 2pth s ILE 2 Cb 0.00 -3.44 -0.20 0.00 -1.58 0.00 0.00 42.46 37.23 2pth s ILE 2 CO 0.00 0.40 0.27 0.29 -1.23 0.00 0.00 174.94 174.67 2pth n LYS 3 N 3.85 0.55 -3.78 2.79 5.02 0.22 -4.81 118.16 121.98 2pth n LYS 3 Ca -0.16 -0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 55.88 2pth n LYS 3 Cb 0.52 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 2pth n LYS 3 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pth s LEU 4 N -4.02 1.18 -0.16 -0.35 2.96 -1.09 -1.17 118.68 116.03 2pth s LEU 4 Ca -0.05 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2pth s LEU 4 Cb 0.08 0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.81 2pth s LEU 4 CO 0.55 -0.11 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.67 2pth s ILE 5 N 0.89 2.47 -0.09 6.68 1.01 -0.16 -1.05 121.20 130.95 2pth s ILE 5 Ca -0.07 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2pth s ILE 5 Cb -0.10 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2pth s ILE 5 CO -0.03 0.52 -0.13 -0.69 0.00 0.00 0.00 174.94 174.61 2pth s VAL 6 N 0.92 3.12 -0.24 2.92 1.01 0.45 -1.15 120.40 127.43 2pth s VAL 6 Ca -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2pth s VAL 6 Cb -0.15 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2pth s VAL 6 CO -0.02 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.69 2pth s GLY 7 N -0.27 1.58 0.38 4.51 0.00 -0.12 0.04 107.32 113.43 2pth s GLY 7 Ca 0.02 -1.54 -0.25 0.00 0.00 0.00 0.00 44.72 42.95 2pth s GLY 7 CO 0.03 0.50 1.12 1.08 0.00 0.00 0.00 173.10 175.83 2pth s LEU 8 N 1.22 4.23 0.07 0.66 1.43 -0.98 -4.10 118.68 121.20 2pth s LEU 8 Ca -0.03 2.24 -0.27 0.00 -1.03 0.00 0.00 54.13 55.05 2pth s LEU 8 Cb -0.17 -4.01 0.09 0.00 0.03 0.00 0.00 46.19 42.13 2pth s LEU 8 CO -0.07 -0.55 1.16 0.00 0.23 0.00 0.00 176.35 177.12 2pth s ALA 9 N -1.45 -2.01 -0.01 4.21 0.00 -1.26 -2.54 121.76 118.71 2pth s ALA 9 Ca 0.55 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.69 2pth s ALA 9 Cb -0.28 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2pth s ALA 9 CO 0.36 -1.08 -0.12 -0.80 0.00 0.00 0.00 175.76 174.12 2pth s ASN 10 N -3.30 4.24 0.53 0.00 0.01 -1.26 -3.44 114.94 111.72 2pth s ASN 10 Ca 0.20 -0.23 -0.13 0.00 -0.71 0.00 0.00 52.86 51.99 2pth s ASN 10 Cb 0.00 -0.89 -0.06 0.00 0.41 0.00 0.00 41.25 40.71 2pth s ASN 10 CO 0.01 0.30 0.95 -2.16 -1.51 0.00 0.00 177.10 174.68 2pth s PRO 11 N -1.20 3.77 0.00 -0.60 0.04 -1.26 -4.68 135.00 131.08 2pth s PRO 11 Ca 0.15 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2pth s PRO 11 Cb -0.11 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2pth s PRO 11 CO 0.05 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2pth n GLY 12 N -1.98 1.21 0.31 0.56 0.00 -1.26 -4.53 105.19 99.49 2pth n GLY 12 Ca 0.05 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.51 2pth n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pth h ALA 13 N 0.00 1.88 -0.60 4.61 0.00 -2.00 -1.96 119.26 121.18 2pth h ALA 13 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2pth h ALA 13 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2pth h ALA 13 CO 0.00 -0.16 0.40 1.49 0.00 0.00 0.00 179.25 180.98 2pth h GLU 14 N 0.00 0.47 -0.01 0.00 4.81 -1.97 -3.01 114.58 114.86 2pth h GLU 14 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2pth h GLU 14 Cb 0.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2pth h GLU 14 CO -0.00 0.31 -0.08 0.66 -0.73 0.00 0.00 179.01 179.17 2pth n TYR 15 N -4.47 0.00 -0.33 0.92 4.01 -0.76 -4.79 117.16 111.73 2pth n TYR 15 Ca 0.09 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.99 2pth n TYR 15 Cb 0.32 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.73 2pth n TYR 15 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pth h ALA 16 N 1.85 1.83 -0.60 -0.72 0.00 -1.35 -2.02 119.26 118.25 2pth h ALA 16 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pth h ALA 16 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pth h ALA 16 CO 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2pth n ALA 17 N -2.37 2.36 -1.95 0.00 0.00 -1.26 -4.92 120.51 112.37 2pth n ALA 17 Ca 0.24 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 52.16 2pth n ALA 17 Cb 0.65 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2pth n ALA 17 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pth s THR 18 N -1.11 4.65 0.37 0.00 -4.23 -0.76 -4.34 115.64 110.23 2pth s THR 18 Ca 0.43 0.95 0.08 0.00 -1.18 0.00 0.00 61.69 61.97 2pth s THR 18 Cb 0.23 -3.76 0.31 0.00 1.34 0.00 0.00 72.50 70.61 2pth s THR 18 CO 0.31 -0.76 1.94 0.03 -0.54 0.00 0.00 174.62 175.60 2pth h ARG 19 N 0.69 0.67 0.00 3.99 3.08 -1.15 -1.68 114.38 119.99 2pth h ARG 19 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pth h ARG 19 Cb 1.19 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2pth h ARG 19 CO 0.62 0.45 0.00 1.58 -1.07 0.00 0.00 179.97 181.55 2pth n HIS 20 N -4.50 0.01 -0.40 3.04 -0.00 -0.28 -1.68 115.22 111.42 2pth n HIS 20 Ca 0.12 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.41 2pth n HIS 20 Cb 0.31 -0.51 0.33 0.00 -0.12 0.00 0.00 29.99 30.01 2pth n HIS 20 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2pth n ASN 21 N -1.51 4.21 -0.34 0.26 4.13 -0.63 -4.26 115.26 117.11 2pth n ASN 21 Ca 0.02 -2.19 0.10 0.00 1.68 0.00 0.00 54.58 54.19 2pth n ASN 21 Cb 0.09 -0.52 0.29 0.00 -1.54 0.00 0.00 39.78 38.09 2pth n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pth h ALA 22 N 4.24 1.63 -0.77 5.41 0.00 -1.47 -1.10 119.26 127.19 2pth h ALA 22 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pth h ALA 22 Cb 1.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2pth h ALA 22 CO 0.10 0.10 0.51 0.78 0.00 0.00 0.00 179.25 180.73 2pth h GLY 23 N 0.88 1.08 1.47 0.00 0.00 -1.73 -2.10 103.07 102.66 2pth h GLY 23 Ca 0.51 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2pth h GLY 23 CO -0.28 0.39 0.01 0.00 0.00 0.00 0.00 176.54 176.66 2pth h ALA 24 N 1.28 1.24 -0.93 3.60 0.00 -0.93 -2.42 119.26 121.11 2pth h ALA 24 Ca 0.28 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2pth h ALA 24 Cb -0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2pth h ALA 24 CO -0.06 0.51 0.60 -1.49 0.00 0.00 0.00 179.25 178.80 2pth h TRP 25 N 0.63 1.13 0.03 0.00 6.55 -0.82 0.91 115.95 124.37 2pth h TRP 25 Ca 0.13 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.00 2pth h TRP 25 Cb 0.38 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 2pth h TRP 25 CO 0.02 0.64 -0.01 0.35 -1.05 0.00 0.00 178.44 178.38 2pth h PHE 26 N 1.15 -0.03 -0.69 0.49 3.57 -1.13 -1.65 116.94 118.65 2pth h PHE 26 Ca 0.38 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 2pth h PHE 26 Cb 0.03 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2pth h PHE 26 CO -0.01 0.12 0.29 0.28 -2.23 0.00 0.00 178.31 176.76 2pth h VAL 27 N -0.19 1.23 -0.71 1.41 2.07 -1.04 -2.23 116.25 116.80 2pth h VAL 27 Ca -0.00 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2pth h VAL 27 Cb 0.17 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2pth h VAL 27 CO 0.01 0.29 0.44 0.44 0.02 0.00 0.00 177.57 178.76 2pth h ASP 28 N 0.99 0.84 -0.35 0.57 3.32 -0.69 -1.70 116.42 119.40 2pth h ASP 28 Ca 0.23 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2pth h ASP 28 Cb 0.17 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2pth h ASP 28 CO -0.02 0.65 0.22 0.25 -1.72 0.00 0.00 179.24 178.61 2pth h LEU 29 N 0.96 0.36 -0.31 1.55 5.85 -0.74 0.64 115.31 123.62 2pth h LEU 29 Ca 0.25 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2pth h LEU 29 Cb -0.05 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2pth h LEU 29 CO -0.05 0.26 0.18 -0.07 -0.34 0.00 0.00 178.44 178.42 2pth h LEU 30 N 0.44 0.30 -0.63 2.25 3.38 -1.01 -1.68 115.31 118.36 2pth h LEU 30 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2pth h LEU 30 Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2pth h LEU 30 CO -0.05 0.22 0.24 0.00 0.09 0.00 0.00 178.44 178.94 2pth h ALA 31 N 1.14 0.82 0.02 1.53 0.00 -1.08 -2.67 119.26 119.02 2pth h ALA 31 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pth h ALA 31 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pth h ALA 31 CO -0.06 0.45 -0.01 1.49 0.00 0.00 0.00 179.25 181.13 2pth h GLU 32 N 0.89 -0.03 0.00 0.00 4.22 -0.62 0.01 114.58 119.05 2pth h GLU 32 Ca 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 2pth h GLU 32 Cb 0.23 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2pth h GLU 32 CO -0.01 0.02 -0.06 0.00 -2.18 0.00 0.00 179.01 176.78 2pth h ARG 33 N -0.07 0.00 -0.01 1.92 3.08 -1.24 -1.09 114.38 116.96 2pth h ARG 33 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pth h ARG 33 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2pth h ARG 33 CO 0.01 0.06 -0.27 1.28 -1.07 0.00 0.00 179.97 179.97 2pth n LEU 34 N -4.42 1.69 -3.42 3.04 4.77 -1.01 -4.96 117.00 112.69 2pth n LEU 34 Ca -0.03 -0.56 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 2pth n LEU 34 Cb 0.14 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2pth n LEU 34 CO 0.34 0.30 0.13 0.54 -1.33 0.00 0.00 177.39 177.38 2pth n ARG 35 N -0.07 -6.42 -3.81 3.23 5.12 -0.15 -4.97 116.66 109.59 2pth n ARG 35 Ca 0.12 0.82 -0.32 0.00 -1.93 0.00 0.00 57.85 56.54 2pth n ARG 35 Cb 0.42 -5.77 -0.11 0.00 -1.16 0.00 0.00 32.46 25.84 2pth n ARG 35 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pth s ALA 36 N -3.25 3.80 0.36 7.54 0.00 -0.41 -5.03 121.76 124.77 2pth s ALA 36 Ca 0.49 -3.64 -0.26 0.00 0.00 0.00 0.00 51.96 48.55 2pth s ALA 36 Cb -0.22 -2.43 -0.12 0.00 0.00 0.00 0.00 23.12 20.35 2pth s ALA 36 CO 0.61 -2.10 1.02 -2.30 0.00 0.00 0.00 175.76 172.99 2pth n PRO 37 N 2.54 1.41 -3.17 0.00 -0.02 -1.26 -4.73 135.00 129.77 2pth n PRO 37 Ca 0.15 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.74 2pth n PRO 37 Cb 0.35 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 2pth n PRO 37 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pth s LEU 38 N -0.08 4.48 -0.03 2.45 1.43 -1.26 -4.70 118.68 120.97 2pth s LEU 38 Ca 0.60 1.30 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 2pth s LEU 38 Cb -0.62 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2pth s LEU 38 CO 0.59 0.16 -0.11 -0.60 0.23 0.00 0.00 176.35 176.62 2pth s ARG 39 N -0.61 1.24 0.07 1.70 3.52 -0.58 -4.85 118.95 119.43 2pth s ARG 39 Ca 0.32 -0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.23 2pth s ARG 39 Cb -0.20 -1.11 -0.06 0.00 -1.56 0.00 0.00 34.95 32.02 2pth s ARG 39 CO 0.20 0.13 1.29 -2.00 -0.81 0.00 0.00 175.30 174.11 2pth s GLU 40 N 0.22 4.37 -0.22 5.12 2.12 -1.26 -0.93 118.70 128.13 2pth s GLU 40 Ca -0.05 1.90 0.02 0.00 0.36 0.00 0.00 54.97 57.20 2pth s GLU 40 Cb -0.10 -3.34 0.04 0.00 0.26 0.00 0.00 34.13 30.99 2pth s GLU 40 CO 0.01 -0.36 -0.15 -1.21 -0.54 0.00 0.00 175.26 173.01 2pth s GLU 41 N 1.26 2.66 0.25 4.30 2.02 -0.30 -4.94 118.70 123.95 2pth s GLU 41 Ca 0.61 -1.06 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 2pth s GLU 41 Cb -0.32 -2.73 0.47 0.00 0.10 0.00 0.00 34.13 31.64 2pth s GLU 41 CO 0.29 -0.37 1.69 0.00 0.02 0.00 0.00 175.26 176.89 2pth h ALA 42 N 7.87 0.98 -0.75 5.21 0.00 -1.95 -1.39 119.26 129.23 2pth h ALA 42 Ca -0.34 0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.93 2pth h ALA 42 Cb 1.10 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2pth h ALA 42 CO 0.56 -0.32 0.52 -0.22 0.00 0.00 0.00 179.25 179.79 2pth h LYS 43 N 0.29 0.14 -0.22 0.00 3.64 -1.95 -1.64 116.57 116.84 2pth h LYS 43 Ca 0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2pth h LYS 43 Cb 0.71 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2pth h LYS 43 CO -0.50 0.09 0.00 1.19 -2.27 0.00 0.00 179.45 177.96 2pth n PHE 44 N -4.38 0.27 -3.89 1.91 3.72 -0.57 -4.88 117.46 109.64 2pth n PHE 44 Ca 0.15 -0.23 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 2pth n PHE 44 Cb 0.72 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.28 2pth n PHE 44 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2pth n PHE 45 N 0.80 -2.25 0.00 1.38 3.72 -0.62 -4.43 117.46 116.06 2pth n PHE 45 Ca 0.11 0.90 0.00 0.00 -0.05 0.00 0.00 57.45 58.41 2pth n PHE 45 Cb 0.41 -4.03 0.00 0.00 -0.94 0.00 0.00 39.48 34.92 2pth n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pth n GLY 46 N -1.69 -0.74 3.74 1.37 0.00 -1.22 -1.02 105.19 105.63 2pth n GLY 46 Ca -0.01 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2pth n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pth s TYR 47 N -2.00 3.79 0.15 1.61 2.02 0.42 -1.15 117.35 122.20 2pth s TYR 47 Ca 0.00 1.77 0.04 0.00 -0.37 0.00 0.00 57.07 58.51 2pth s TYR 47 Cb 0.00 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 2pth s TYR 47 CO 0.00 0.04 -0.07 0.95 -1.57 0.00 0.00 175.55 174.90 2pth s THR 48 N -0.35 1.01 0.18 -0.71 -4.23 -0.10 -1.22 115.64 110.22 2pth s THR 48 Ca 0.46 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2pth s THR 48 Cb -0.26 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.71 2pth s THR 48 CO 0.32 -0.67 0.71 -0.55 -0.54 0.00 0.00 174.62 173.89 2pth s SER 49 N -3.17 -0.40 -0.08 3.99 0.15 -0.95 -1.53 113.70 111.71 2pth s SER 49 Ca 0.19 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.60 2pth s SER 49 Cb 0.04 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2pth s SER 49 CO 0.01 -1.05 -0.10 -0.60 1.20 0.00 0.00 173.24 172.71 2pth s ARG 50 N -3.68 1.55 0.22 5.44 3.52 -1.26 -0.91 118.95 123.83 2pth s ARG 50 Ca 0.06 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2pth s ARG 50 Cb -0.03 -1.40 -0.05 0.00 -1.56 0.00 0.00 34.95 31.92 2pth s ARG 50 CO -0.04 -0.08 0.08 0.14 -0.81 0.00 0.00 175.30 174.59 2pth s VAL 51 N 1.01 0.43 -0.22 7.11 -7.23 0.06 -4.99 120.40 116.58 2pth s VAL 51 Ca -0.08 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.05 2pth s VAL 51 Cb -0.15 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2pth s VAL 51 CO -0.00 -0.13 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.75 2pth s THR 52 N -3.84 3.61 -0.11 5.32 2.01 -1.26 -1.10 115.64 120.27 2pth s THR 52 Ca 0.34 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 2pth s THR 52 Cb 0.07 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2pth s THR 52 CO 0.10 0.41 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.13 2pth s LEU 53 N 1.42 1.30 -1.83 4.42 2.96 0.17 -4.71 118.68 122.39 2pth s LEU 53 Ca 0.05 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2pth s LEU 53 Cb -0.14 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.66 2pth s LEU 53 CO -0.01 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 2pth n GLY 54 N 4.82 -0.22 2.28 7.98 0.00 -1.26 -0.72 105.19 118.06 2pth n GLY 54 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2pth n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pth n GLY 55 N -0.95 2.05 3.92 -0.02 0.00 -1.26 -4.63 105.19 104.31 2pth n GLY 55 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2pth n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pth s GLU 56 N -0.24 3.49 -0.32 1.61 0.41 0.10 -5.05 118.70 118.70 2pth s GLU 56 Ca 0.00 -0.39 -0.27 0.00 -0.41 0.00 0.00 54.97 53.90 2pth s GLU 56 Cb 0.00 -2.94 0.01 0.00 -1.78 0.00 0.00 34.13 29.42 2pth s GLU 56 CO 0.00 0.52 0.98 0.34 -0.49 0.00 0.00 175.26 176.61 2pth s ASP 57 N -2.80 6.83 -0.01 -0.19 2.15 -1.26 -0.66 116.67 120.73 2pth s ASP 57 Ca 0.37 0.89 0.03 0.00 0.43 0.00 0.00 52.55 54.27 2pth s ASP 57 Cb -0.12 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.00 2pth s ASP 57 CO 0.28 -0.81 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.67 2pth s VAL 58 N 3.45 0.83 0.02 1.11 1.01 -0.26 -4.79 120.40 121.78 2pth s VAL 58 Ca 0.41 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2pth s VAL 58 Cb -0.13 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2pth s VAL 58 CO 0.15 0.24 0.11 -0.13 0.00 0.00 0.00 175.10 175.47 2pth s ARG 59 N -0.19 3.15 0.04 2.72 0.52 -0.31 -0.76 118.95 124.11 2pth s ARG 59 Ca 0.03 -0.48 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 2pth s ARG 59 Cb -0.05 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 2pth s ARG 59 CO -0.00 0.64 -0.15 -0.51 0.02 0.00 0.00 175.30 175.30 2pth s LEU 60 N -1.97 2.78 -0.09 2.53 1.43 -0.08 -0.99 118.68 122.29 2pth s LEU 60 Ca 0.26 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2pth s LEU 60 Cb -0.12 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2pth s LEU 60 CO 0.18 0.26 0.21 -0.22 0.23 0.00 0.00 176.35 177.00 2pth s LEU 61 N -1.50 0.62 -0.26 1.79 2.96 -0.30 -2.25 118.68 119.74 2pth s LEU 61 Ca 0.16 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2pth s LEU 61 Cb -0.11 0.60 0.08 0.00 0.50 0.00 0.00 46.19 47.26 2pth s LEU 61 CO 0.06 -0.15 0.01 -0.69 -1.32 0.00 0.00 176.35 174.27 2pth s VAL 62 N 1.09 1.31 0.61 1.68 1.01 -0.36 -0.95 120.40 124.79 2pth s VAL 62 Ca -0.08 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 2pth s VAL 62 Cb -0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2pth s VAL 62 CO -0.07 -0.32 1.32 -2.84 0.00 0.00 0.00 175.10 173.19 2pth s PRO 63 N 1.46 2.79 -0.17 2.72 0.02 -1.26 -0.44 135.00 140.12 2pth s PRO 63 Ca 0.01 2.14 0.16 0.00 0.02 0.00 0.00 61.00 63.33 2pth s PRO 63 Cb -0.18 -2.01 0.36 0.00 0.02 0.00 0.00 34.50 32.68 2pth s PRO 63 CO -0.11 -1.44 1.20 0.25 -0.33 0.00 0.00 177.00 176.57 2pth n THR 64 N -1.55 2.05 0.50 0.99 -2.24 -0.19 -4.68 114.28 109.16 2pth n THR 64 Ca 0.14 -2.57 0.12 0.00 -2.27 0.00 0.00 64.05 59.47 2pth n THR 64 Cb 0.47 -0.24 0.27 0.00 -2.10 0.00 0.00 70.33 68.73 2pth n THR 64 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2pth h THR 65 N 0.47 0.00 0.00 4.28 1.35 -1.89 -3.44 112.91 113.68 2pth h THR 65 Ca 0.01 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2pth h THR 65 Cb 1.06 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2pth h THR 65 CO 0.03 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.79 2pth n PHE 66 N -2.41 0.00 -0.26 4.73 3.01 -1.26 -4.59 117.46 116.67 2pth n PHE 66 Ca 0.04 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.44 2pth n PHE 66 Cb 0.46 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 2pth n PHE 66 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 2pth h MET 67 N 0.00 -0.14 0.00 -1.08 4.05 -1.94 -1.89 114.93 113.93 2pth h MET 67 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2pth h MET 67 Cb 0.00 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2pth h MET 67 CO 0.00 -0.09 0.00 0.09 0.23 0.00 0.00 176.91 177.14 2pth n ASN 68 N -5.41 0.00 -0.24 1.39 4.13 -1.26 -2.10 115.26 111.76 2pth n ASN 68 Ca 0.04 0.04 0.06 0.00 1.68 0.00 0.00 54.58 56.40 2pth n ASN 68 Cb 0.35 -0.25 0.12 0.00 -1.54 0.00 0.00 39.78 38.46 2pth n ASN 68 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2pth n LEU 69 N -1.25 2.54 -0.13 3.41 4.77 -0.72 -4.72 117.00 120.91 2pth n LEU 69 Ca 0.07 -2.61 0.11 0.00 -0.03 0.00 0.00 56.01 53.55 2pth n LEU 69 Cb 0.10 -0.29 0.45 0.00 -2.33 0.00 0.00 43.42 41.35 2pth n LEU 69 CO 0.10 0.64 1.20 0.28 -1.33 0.00 0.00 177.39 178.27 2pth h SER 70 N 0.51 0.47 -0.98 -1.43 0.02 -1.36 -3.03 113.55 107.75 2pth h SER 70 Ca 0.00 0.01 0.20 0.00 -0.84 0.00 0.00 61.79 61.16 2pth h SER 70 Cb 0.88 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 2pth h SER 70 CO 0.03 0.28 0.61 1.23 -1.14 0.00 0.00 176.83 177.85 2pth h GLY 71 N 0.52 1.46 0.38 -3.77 0.00 -1.82 -2.08 103.07 97.76 2pth h GLY 71 Ca 0.30 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2pth h GLY 71 CO -0.10 -0.04 0.10 1.70 0.00 0.00 0.00 176.54 178.20 2pth h LYS 72 N 0.64 0.22 -0.12 4.80 3.64 -1.83 -0.18 116.57 123.75 2pth h LYS 72 Ca 0.54 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 2pth h LYS 72 Cb 1.00 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2pth h LYS 72 CO -0.31 0.15 -0.06 0.00 -2.27 0.00 0.00 179.45 176.97 2pth h ALA 73 N 1.38 0.17 -0.47 5.00 0.00 -1.58 -1.66 119.26 122.10 2pth h ALA 73 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pth h ALA 73 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2pth h ALA 73 CO -0.32 -0.05 0.30 0.28 0.00 0.00 0.00 179.25 179.46 2pth h VAL 74 N -0.09 1.13 -0.65 0.00 2.07 -1.33 -1.78 116.25 115.60 2pth h VAL 74 Ca 0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2pth h VAL 74 Cb 0.51 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2pth h VAL 74 CO 0.02 0.13 0.32 0.00 0.02 0.00 0.00 177.57 178.06 2pth h ALA 75 N 1.15 0.83 -0.41 1.67 0.00 -1.04 -0.23 119.26 121.23 2pth h ALA 75 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pth h ALA 75 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2pth h ALA 75 CO -0.03 0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.83 2pth h ALA 76 N 1.15 0.52 -0.15 0.00 0.00 -0.91 -0.34 119.26 119.52 2pth h ALA 76 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pth h ALA 76 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2pth h ALA 76 CO -0.03 0.04 -0.03 0.52 0.00 0.00 0.00 179.25 179.75 2pth h MET 77 N 0.53 0.29 -0.77 0.00 2.86 -1.14 -2.15 114.93 114.55 2pth h MET 77 Ca 0.14 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2pth h MET 77 Cb 0.04 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2pth h MET 77 CO -0.02 0.56 0.47 0.00 1.06 0.00 0.00 176.91 178.98 2pth h ALA 78 N 0.72 1.40 -0.21 6.32 0.00 -0.94 -2.18 119.26 124.37 2pth h ALA 78 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2pth h ALA 78 Cb 0.45 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pth h ALA 78 CO 0.01 0.53 -0.62 0.66 0.00 0.00 0.00 179.25 179.84 2pth h SER 79 N 1.05 0.91 -0.36 0.00 4.64 -0.99 0.48 113.55 119.28 2pth h SER 79 Ca 0.28 -0.58 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 2pth h SER 79 Cb -0.07 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 2pth h SER 79 CO -0.05 1.33 0.04 0.15 -0.87 0.00 0.00 176.83 177.43 2pth h PHE 80 N 0.53 0.64 -0.03 4.77 3.57 -1.17 -2.99 116.94 122.27 2pth h PHE 80 Ca -0.02 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2pth h PHE 80 Cb 1.24 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2pth h PHE 80 CO 0.08 0.67 0.00 1.19 -2.23 0.00 0.00 178.31 178.02 2pth n PHE 81 N -4.55 0.01 -3.44 0.41 3.72 -0.84 -4.98 117.46 107.80 2pth n PHE 81 Ca -0.01 -0.01 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 2pth n PHE 81 Cb 0.24 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 2pth n PHE 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2pth n ARG 82 N 0.39 -1.66 -4.23 -1.08 1.74 -0.06 -5.00 116.66 106.77 2pth n ARG 82 Ca 0.18 0.75 -0.34 0.00 -0.77 0.00 0.00 57.85 57.67 2pth n ARG 82 Cb 0.40 -4.93 -0.11 0.00 -1.02 0.00 0.00 32.46 26.80 2pth n ARG 82 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pth s ILE 83 N -3.36 4.35 0.53 0.55 1.01 -0.04 -5.03 121.20 119.21 2pth s ILE 83 Ca 0.40 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.68 2pth s ILE 83 Cb -0.10 -2.92 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 2pth s ILE 83 CO 0.80 0.50 1.01 0.20 0.00 0.00 0.00 174.94 177.45 2pth s ASN 84 N 0.14 6.40 0.32 3.58 0.01 -1.26 -4.77 114.94 119.36 2pth s ASN 84 Ca 0.02 1.65 0.06 0.00 -0.71 0.00 0.00 52.86 53.87 2pth s ASN 84 Cb -0.13 -2.52 0.70 0.00 0.41 0.00 0.00 41.25 39.72 2pth s ASN 84 CO 0.02 -0.74 1.85 -0.65 -1.51 0.00 0.00 177.10 176.06 2pth h PRO 85 N 0.84 0.80 0.00 -0.60 0.11 -1.97 0.21 132.00 131.40 2pth h PRO 85 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2pth h PRO 85 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2pth h PRO 85 CO 0.60 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 2pth n ASP 86 N -4.60 0.00 -0.89 -2.05 5.75 -1.14 -1.98 116.55 111.62 2pth n ASP 86 Ca 0.19 -1.63 0.07 0.00 -0.01 0.00 0.00 54.79 53.42 2pth n ASP 86 Cb 0.43 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.74 2pth n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pth n GLU 87 N -0.65 2.94 -5.00 0.11 1.02 0.06 -4.79 120.64 114.34 2pth n GLU 87 Ca 0.07 -2.34 -0.32 0.00 -0.02 0.00 0.00 57.16 54.55 2pth n GLU 87 Cb 0.03 -1.45 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 2pth n GLU 87 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pth s ILE 88 N -1.29 2.73 -0.19 -3.67 1.01 -0.84 -0.61 121.20 118.34 2pth s ILE 88 Ca 0.33 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2pth s ILE 88 Cb 0.19 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2pth s ILE 88 CO 0.19 0.57 -0.16 -0.22 0.00 0.00 0.00 174.94 175.33 2pth s LEU 89 N -0.37 2.34 -0.25 2.97 2.96 -0.21 -1.08 118.68 125.03 2pth s LEU 89 Ca 0.03 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 2pth s LEU 89 Cb -0.12 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 2pth s LEU 89 CO 0.02 -0.00 0.02 -0.69 -1.32 0.00 0.00 176.35 174.38 2pth s VAL 90 N 1.32 3.71 -0.08 1.68 1.01 0.39 -0.41 120.40 128.03 2pth s VAL 90 Ca 0.05 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2pth s VAL 90 Cb -0.13 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2pth s VAL 90 CO -0.10 0.27 0.51 0.00 0.00 0.00 0.00 175.10 175.78 2pth s ALA 91 N 1.50 3.49 0.13 5.51 0.00 0.11 -0.98 121.76 131.51 2pth s ALA 91 Ca 0.04 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2pth s ALA 91 Cb -0.16 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.33 2pth s ALA 91 CO -0.00 0.08 0.39 -3.38 0.00 0.00 0.00 175.76 172.85 2pth s HIS 92 N 0.29 -0.15 0.33 0.00 -3.43 -0.46 -2.33 115.29 109.54 2pth s HIS 92 Ca 0.28 -0.18 -0.27 0.00 -0.80 0.00 0.00 55.06 54.09 2pth s HIS 92 Cb -0.16 0.23 -0.09 0.00 -1.43 0.00 0.00 32.58 31.13 2pth s HIS 92 CO 0.13 -0.70 1.13 0.16 -2.00 0.00 0.00 174.74 173.45 2pth s ASP 93 N -2.82 6.96 -0.20 7.38 -4.77 -1.26 -0.81 116.67 121.16 2pth s ASP 93 Ca 0.04 2.29 0.00 0.00 -3.30 0.00 0.00 52.55 51.58 2pth s ASP 93 Cb 0.02 -2.62 0.05 0.00 -1.09 0.00 0.00 42.92 39.28 2pth s ASP 93 CO -0.11 -0.36 -0.06 -0.70 0.70 0.00 0.00 175.17 174.63 2pth s GLU 94 N -1.86 1.63 0.39 2.11 2.56 0.63 -4.77 118.70 119.39 2pth s GLU 94 Ca 0.50 -0.73 0.14 0.00 0.00 0.00 0.00 54.97 54.88 2pth s GLU 94 Cb -0.31 -2.29 0.81 0.00 2.00 0.00 0.00 34.13 34.34 2pth s GLU 94 CO 0.39 -0.48 1.87 -0.07 -0.56 0.00 0.00 175.26 176.40 2pth h LEU 95 N 8.04 0.00 0.00 2.70 3.38 -1.86 -1.75 115.31 125.81 2pth h LEU 95 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2pth h LEU 95 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2pth h LEU 95 CO 0.42 0.33 0.00 0.47 0.09 0.00 0.00 178.44 179.75 2pth n ASP 96 N -4.09 0.00 -4.16 -0.43 8.00 -1.26 -3.27 116.55 111.33 2pth n ASP 96 Ca -0.02 -1.33 -0.22 0.00 0.71 0.00 0.00 54.79 53.93 2pth n ASP 96 Cb 0.37 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.33 2pth n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pth s LEU 97 N -1.64 2.14 0.62 0.64 1.43 -1.19 -5.04 118.68 115.65 2pth s LEU 97 Ca 0.30 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2pth s LEU 97 Cb 0.14 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 2pth s LEU 97 CO 0.23 0.10 1.01 -2.16 0.23 0.00 0.00 176.35 175.76 2pth s PRO 98 N -0.96 3.37 0.26 1.29 0.04 -1.26 -0.84 135.00 136.90 2pth s PRO 98 Ca 0.04 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.34 2pth s PRO 98 Cb -0.08 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2pth s PRO 98 CO 0.01 -0.65 1.63 -2.30 0.04 0.00 0.00 177.00 175.73 2pth n PRO 99 N -2.75 2.67 0.00 0.56 -0.02 -1.25 -2.50 135.00 131.71 2pth n PRO 99 Ca 0.06 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2pth n PRO 99 Cb 0.55 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2pth n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pth n GLY 100 N 2.80 1.07 3.35 -1.23 0.00 -1.23 -4.79 105.19 105.16 2pth n GLY 100 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2pth n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pth s VAL 101 N -2.07 2.12 -0.00 1.61 1.01 -1.04 -4.47 120.40 117.56 2pth s VAL 101 Ca 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 61.98 60.39 2pth s VAL 101 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2pth s VAL 101 CO 0.00 0.24 0.15 0.00 0.00 0.00 0.00 175.10 175.49 2pth s ALA 102 N -0.91 -0.37 0.02 5.51 0.00 -1.26 -1.17 121.76 123.57 2pth s ALA 102 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 2pth s ALA 102 Cb -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2pth s ALA 102 CO 0.04 -0.21 0.10 0.15 0.00 0.00 0.00 175.76 175.84 2pth s LYS 103 N -1.32 0.50 0.18 0.00 1.02 -0.53 -4.60 119.74 114.99 2pth s LYS 103 Ca -0.14 -0.56 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 2pth s LYS 103 Cb -0.07 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 2pth s LYS 103 CO 0.02 -0.12 0.41 -0.06 -0.92 0.00 0.00 175.35 174.68 2pth s PHE 104 N -1.84 3.48 -0.14 3.18 0.08 -1.26 -0.07 117.98 121.39 2pth s PHE 104 Ca -0.11 0.50 -0.22 0.00 0.12 0.00 0.00 56.93 57.22 2pth s PHE 104 Cb -0.06 -1.97 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 2pth s PHE 104 CO -0.01 0.38 0.56 0.21 -0.10 0.00 0.00 175.22 176.26 2pth s LYS 105 N -3.00 0.77 -0.19 0.44 2.20 -0.64 -4.95 119.74 114.37 2pth s LYS 105 Ca 0.41 0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 2pth s LYS 105 Cb -0.12 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 2pth s LYS 105 CO 0.27 -0.16 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.80 2pth s LEU 106 N -0.31 2.47 0.00 5.43 2.96 -1.26 -0.36 118.68 127.61 2pth s LEU 106 Ca -0.05 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 2pth s LEU 106 Cb -0.03 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2pth s LEU 106 CO 0.04 0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 2pth n GLY 107 N 4.61 -1.40 0.34 7.98 0.00 -0.86 -4.97 105.19 110.88 2pth n GLY 107 Ca -0.20 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2pth n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pth n GLY 108 N 0.00 -3.14 0.00 -0.02 0.00 -1.26 -4.95 105.19 95.82 2pth n GLY 108 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2pth n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pth n GLY 109 N -0.07 0.64 0.05 -0.02 0.00 -1.26 -4.80 105.19 99.74 2pth n GLY 109 Ca 0.00 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.32 2pth n GLY 109 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pth n HIS 110 N 0.00 0.42 -2.17 1.61 1.44 -1.26 -4.98 115.22 110.28 2pth n HIS 110 Ca 0.00 0.12 -0.19 0.00 -2.01 0.00 0.00 57.72 55.65 2pth n HIS 110 Cb 0.00 -0.65 -0.03 0.00 0.12 0.00 0.00 29.99 29.43 2pth n HIS 110 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2pth n GLY 111 N 1.26 0.12 0.96 -1.39 0.00 -1.26 -1.72 105.19 103.16 2pth n GLY 111 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pth n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pth n GLY 112 N -0.79 0.84 3.61 -0.02 0.00 -1.26 -5.04 105.19 102.53 2pth n GLY 112 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2pth n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pth s HIS 113 N -2.45 3.03 0.21 1.61 5.04 -0.70 -4.93 115.29 117.11 2pth s HIS 113 Ca 0.00 0.87 0.36 0.00 -1.54 0.00 0.00 55.06 54.75 2pth s HIS 113 Cb 0.00 -3.87 1.59 0.00 0.04 0.00 0.00 32.58 30.34 2pth s HIS 113 CO 0.00 -0.93 2.06 -0.91 -2.34 0.00 0.00 174.74 172.63 2pth h ASN 114 N 8.56 0.00 -0.07 9.88 2.35 -1.94 -1.62 115.58 132.74 2pth h ASN 114 Ca -0.22 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.44 2pth h ASN 114 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2pth h ASN 114 CO 1.03 0.00 -0.30 1.23 -1.65 0.00 0.00 177.43 177.74 2pth h GLY 115 N 1.64 0.36 1.05 2.83 0.00 -1.91 -2.75 103.07 104.29 2pth h GLY 115 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2pth h GLY 115 CO 0.00 0.45 0.33 1.41 0.00 0.00 0.00 176.54 178.72 2pth h LEU 116 N -0.16 1.11 -0.44 3.11 3.38 -1.80 -2.44 115.31 118.06 2pth h LEU 116 Ca -0.02 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2pth h LEU 116 Cb 0.95 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2pth h LEU 116 CO 0.06 0.98 0.17 0.50 0.09 0.00 0.00 178.44 180.24 2pth h LYS 117 N 1.17 0.34 -0.37 1.13 3.64 -1.31 -1.66 116.57 119.51 2pth h LYS 117 Ca 0.27 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 2pth h LYS 117 Cb 0.21 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2pth h LYS 117 CO -0.02 0.22 -0.13 0.22 -2.27 0.00 0.00 179.45 177.48 2pth h ASP 118 N 0.35 0.65 -0.43 4.20 3.58 -1.23 -2.20 116.42 121.33 2pth h ASP 118 Ca 0.20 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 2pth h ASP 118 Cb 0.17 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2pth h ASP 118 CO -0.19 0.80 0.13 0.40 -2.88 0.00 0.00 179.24 177.50 2pth h ILE 119 N 0.60 1.22 -0.51 2.25 2.04 -0.98 -0.76 117.51 121.38 2pth h ILE 119 Ca 0.10 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.24 2pth h ILE 119 Cb 0.56 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2pth h ILE 119 CO 0.04 0.27 0.30 0.40 0.00 0.00 0.00 178.15 179.16 2pth h ILE 120 N 0.56 1.05 0.36 -0.67 2.04 -1.15 -1.74 117.51 117.96 2pth h ILE 120 Ca 0.14 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2pth h ILE 120 Cb 0.28 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2pth h ILE 120 CO -0.00 0.11 -0.17 -1.28 0.00 0.00 0.00 178.15 176.80 2pth h SER 121 N 0.61 -0.41 0.68 1.72 0.87 -1.17 0.65 113.55 116.50 2pth h SER 121 Ca 0.21 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2pth h SER 121 Cb 0.02 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2pth h SER 121 CO -0.09 -0.29 0.00 0.11 -0.53 0.00 0.00 176.83 176.03 2pth h LYS 122 N -0.50 0.00 -0.51 2.24 1.79 -0.92 -1.20 116.57 117.47 2pth h LYS 122 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2pth h LYS 122 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2pth h LYS 122 CO 0.08 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.73 2pth n LEU 123 N -2.78 2.44 -0.49 2.94 4.77 -0.67 -4.82 117.00 118.38 2pth n LEU 123 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 2pth n LEU 123 Cb 0.22 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2pth n LEU 123 CO 0.22 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2pth n GLY 124 N 0.83 0.81 3.71 -0.72 0.00 -0.50 -4.11 105.19 105.21 2pth n GLY 124 Ca 0.13 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2pth n GLY 124 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pth n ASN 125 N 0.55 -2.43 -4.05 1.61 4.13 0.16 -4.99 115.26 110.24 2pth n ASN 125 Ca 0.00 -0.77 -0.32 0.00 1.68 0.00 0.00 54.58 55.17 2pth n ASN 125 Cb 0.38 -4.20 -0.15 0.00 -1.54 0.00 0.00 39.78 34.27 2pth n ASN 125 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2pth s ASN 126 N -4.05 4.43 0.00 6.41 3.84 -0.83 -4.97 114.94 119.77 2pth s ASN 126 Ca 0.19 -1.47 0.25 0.00 0.21 0.00 0.00 52.86 52.04 2pth s ASN 126 Cb -0.09 -1.52 1.01 0.00 -0.55 0.00 0.00 41.25 40.10 2pth s ASN 126 CO 0.80 -0.22 1.71 -0.81 -2.79 0.00 0.00 177.10 175.79 2pth n PRO 127 N 4.43 1.59 -1.02 0.43 -0.04 -1.26 -4.58 135.00 134.55 2pth n PRO 127 Ca -0.12 -0.87 -0.16 0.00 -0.04 0.00 0.00 63.50 62.31 2pth n PRO 127 Cb 0.42 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 2pth n PRO 127 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pth n ASN 128 N 0.07 5.65 -4.51 3.54 3.02 -1.26 -3.76 115.26 118.02 2pth n ASN 128 Ca 0.18 -2.47 -0.24 0.00 -0.03 0.00 0.00 54.58 52.02 2pth n ASN 128 Cb 0.31 -1.40 -0.10 0.00 -0.61 0.00 0.00 39.78 37.98 2pth n ASN 128 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2pth s PHE 129 N 1.26 2.40 0.48 3.10 -0.12 -1.26 -2.89 117.98 120.95 2pth s PHE 129 Ca 0.65 -0.30 -0.19 0.00 -0.05 0.00 0.00 56.93 57.04 2pth s PHE 129 Cb 0.29 -1.07 -0.09 0.00 -0.63 0.00 0.00 43.02 41.52 2pth s PHE 129 CO -0.01 0.66 0.98 -1.01 -0.05 0.00 0.00 175.22 175.80 2pth s HIS 130 N -2.33 3.30 0.02 3.49 3.76 -0.24 -2.04 115.29 121.24 2pth s HIS 130 Ca 0.29 1.54 0.02 0.00 -0.15 0.00 0.00 55.06 56.76 2pth s HIS 130 Cb -0.06 -2.87 -0.01 0.00 1.11 0.00 0.00 32.58 30.75 2pth s HIS 130 CO 0.16 -0.38 -0.06 1.03 -0.85 0.00 0.00 174.74 174.64 2pth s ARG 131 N -3.61 0.43 -0.35 1.40 3.00 0.51 -0.46 118.95 119.88 2pth s ARG 131 Ca 0.62 -0.43 -0.05 0.00 0.00 0.00 0.00 55.73 55.87 2pth s ARG 131 Cb -0.11 -0.31 0.06 0.00 0.00 0.00 0.00 34.95 34.59 2pth s ARG 131 CO 0.23 0.07 0.11 -1.17 0.00 0.00 0.00 175.30 174.54 2pth s LEU 132 N -0.77 4.45 -0.50 2.53 2.96 -0.15 -1.62 118.68 125.58 2pth s LEU 132 Ca -0.04 -1.38 -0.23 0.00 -0.22 0.00 0.00 54.13 52.27 2pth s LEU 132 Cb -0.05 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.84 2pth s LEU 132 CO 0.00 -0.37 0.82 -0.13 -1.32 0.00 0.00 176.35 175.35 2pth s ARG 133 N 1.31 3.33 -0.42 1.98 0.52 0.89 -1.35 118.95 125.21 2pth s ARG 133 Ca -0.01 -0.30 -0.17 0.00 -0.52 0.00 0.00 55.73 54.73 2pth s ARG 133 Cb -0.21 -4.01 0.02 0.00 0.52 0.00 0.00 34.95 31.28 2pth s ARG 133 CO 0.00 -1.28 0.42 0.42 0.02 0.00 0.00 175.30 174.88 2pth s ILE 134 N 3.43 5.11 0.21 1.52 1.01 0.01 -1.45 121.20 131.04 2pth s ILE 134 Ca 0.27 -0.38 -0.32 0.00 0.00 0.00 0.00 60.65 60.23 2pth s ILE 134 Cb -0.13 -4.02 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 2pth s ILE 134 CO 0.19 -0.40 1.68 0.61 0.00 0.00 0.00 174.94 177.03 2pth n GLY 135 N 5.11 1.45 0.00 6.18 0.00 -0.32 -0.27 105.19 117.34 2pth n GLY 135 Ca -0.08 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2pth n GLY 135 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2pth n ILE 136 N 3.63 0.00 0.00 -0.61 -5.35 -0.67 -3.83 119.36 112.54 2pth n ILE 136 Ca 0.15 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2pth n ILE 136 Cb 0.34 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 2pth n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pth n GLY 137 N 0.35 -0.89 3.06 3.28 0.00 -0.02 -4.51 105.19 106.46 2pth n GLY 137 Ca 0.00 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 2pth n GLY 137 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pth s HIS 138 N -1.84 1.15 -0.10 1.61 2.46 -1.20 -4.40 115.29 112.96 2pth s HIS 138 Ca 0.00 -0.26 0.28 0.00 0.47 0.00 0.00 55.06 55.55 2pth s HIS 138 Cb 0.00 -0.77 0.89 0.00 -0.13 0.00 0.00 32.58 32.57 2pth s HIS 138 CO 0.00 -0.07 1.81 -1.00 -2.47 0.00 0.00 174.74 173.01 2pth h PRO 139 N 6.10 0.00 0.00 2.88 0.13 -1.92 -3.48 132.00 135.71 2pth h PRO 139 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2pth h PRO 139 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2pth h PRO 139 CO 0.49 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 2pth n GLY 140 N 0.49 4.27 3.59 1.56 0.00 -1.26 -5.03 105.19 108.80 2pth n GLY 140 Ca 0.02 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 2pth n GLY 140 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2pth s ASP 141 N 0.00 -0.13 0.49 1.61 1.47 -1.26 -5.06 116.67 113.79 2pth s ASP 141 Ca 0.00 -0.81 0.19 0.00 1.18 0.00 0.00 52.55 53.11 2pth s ASP 141 Cb 0.00 0.59 1.24 0.00 -0.34 0.00 0.00 42.92 44.41 2pth s ASP 141 CO 0.00 -1.13 2.07 0.11 0.68 0.00 0.00 175.17 176.90 2pth h LYS 142 N 2.24 0.00 0.00 2.11 1.57 -2.01 -2.79 116.57 117.69 2pth h LYS 142 Ca -0.26 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 2pth h LYS 142 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2pth h LYS 142 CO 0.35 0.11 -0.29 -0.91 -0.57 0.00 0.00 179.45 178.15 2pth h ASN 143 N 0.00 0.00 0.35 0.86 2.35 -2.02 -2.82 115.58 114.30 2pth h ASN 143 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pth h ASN 143 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2pth h ASN 143 CO 0.01 0.29 -0.56 0.29 -1.65 0.00 0.00 177.43 175.82 2pth n LYS 144 N -4.05 0.17 -0.22 0.81 5.02 -1.06 -4.42 118.16 114.41 2pth n LYS 144 Ca -0.02 -0.11 -0.05 0.00 -2.02 0.00 0.00 58.31 56.11 2pth n LYS 144 Cb 0.35 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 2pth n LYS 144 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pth h VAL 145 N 0.27 1.11 0.16 -0.18 2.07 -1.50 -2.46 116.25 115.71 2pth h VAL 145 Ca 0.00 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2pth h VAL 145 Cb 0.51 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2pth h VAL 145 CO 0.00 0.15 -0.26 0.58 0.02 0.00 0.00 177.57 178.05 2pth h VAL 146 N 0.80 0.42 0.00 2.57 2.07 -1.77 -0.34 116.25 120.00 2pth h VAL 146 Ca 0.25 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2pth h VAL 146 Cb -0.02 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2pth h VAL 146 CO -0.09 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.52 2pth h GLY 147 N -0.50 0.00 0.42 2.17 0.00 -1.85 -2.53 103.07 100.77 2pth h GLY 147 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2pth h GLY 147 CO -0.12 0.00 -0.09 -2.75 0.00 0.00 0.00 176.54 173.57 2pth h PHE 148 N 0.00 -0.24 0.00 5.60 3.57 -0.88 -2.64 116.94 122.34 2pth h PHE 148 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2pth h PHE 148 Cb 0.48 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2pth h PHE 148 CO 0.00 0.16 -0.23 -0.39 -2.23 0.00 0.00 178.31 175.62 2pth h VAL 149 N -0.85 0.84 -0.49 1.41 -1.51 -1.07 -1.54 116.25 113.04 2pth h VAL 149 Ca -0.03 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2pth h VAL 149 Cb 0.52 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2pth h VAL 149 CO 0.04 0.23 0.00 0.18 -1.23 0.00 0.00 177.57 176.79 2pth n LEU 150 N -3.79 4.31 -4.77 4.19 4.77 -0.96 -1.13 117.00 119.63 2pth n LEU 150 Ca -0.02 -2.18 -0.22 0.00 -0.03 0.00 0.00 56.01 53.56 2pth n LEU 150 Cb 0.33 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 2pth n LEU 150 CO 0.34 0.61 -0.21 -0.83 -1.33 0.00 0.00 177.39 175.97 2pth s GLY 151 N -0.72 1.57 -0.10 -0.72 0.00 -0.58 -4.88 107.32 101.89 2pth s GLY 151 Ca 0.42 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.43 2pth s GLY 151 CO 0.16 -1.57 0.43 1.25 0.00 0.00 0.00 173.10 173.36 2pth s LYS 152 N -3.81 4.24 0.48 2.90 2.20 -1.26 -1.60 119.74 122.89 2pth s LYS 152 Ca 0.34 0.37 -0.22 0.00 -0.36 0.00 0.00 55.97 56.10 2pth s LYS 152 Cb -0.07 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 2pth s LYS 152 CO 0.23 0.28 1.10 -2.14 -0.36 0.00 0.00 175.35 174.47 2pth s PRO 153 N 0.24 3.74 0.82 4.03 0.02 -1.26 -4.99 135.00 137.61 2pth s PRO 153 Ca 0.24 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.72 2pth s PRO 153 Cb -0.15 -2.25 0.09 0.00 0.02 0.00 0.00 34.50 32.21 2pth s PRO 153 CO 0.10 -0.52 1.14 -2.14 -0.33 0.00 0.00 177.00 175.25 2pth s PRO 154 N -2.95 1.67 0.26 5.54 0.02 -1.26 -4.67 135.00 133.62 2pth s PRO 154 Ca 0.66 1.49 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 2pth s PRO 154 Cb -0.23 -1.81 0.57 0.00 0.02 0.00 0.00 34.50 33.05 2pth s PRO 154 CO 0.27 -2.13 1.69 0.28 -0.33 0.00 0.00 177.00 176.78 2pth h VAL 155 N -1.23 0.51 -0.75 3.83 2.07 -1.99 -1.21 116.25 117.47 2pth h VAL 155 Ca -0.44 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2pth h VAL 155 Cb 1.26 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2pth h VAL 155 CO 0.46 0.06 0.32 0.77 0.02 0.00 0.00 177.57 179.21 2pth h SER 156 N 0.34 1.01 -0.15 0.57 4.64 -2.00 -1.36 113.55 116.58 2pth h SER 156 Ca 0.47 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.48 2pth h SER 156 Cb 0.84 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2pth h SER 156 CO -0.51 0.88 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.45 2pth h GLU 157 N 1.08 0.74 -0.82 4.77 5.08 -1.67 -2.99 114.58 120.77 2pth h GLU 157 Ca 0.25 -0.47 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2pth h GLU 157 Cb 0.17 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2pth h GLU 157 CO -0.03 1.09 0.53 0.37 -1.00 0.00 0.00 179.01 179.97 2pth h GLN 158 N 0.57 1.01 -0.72 2.33 5.75 -0.82 -1.03 115.11 122.20 2pth h GLN 158 Ca 0.01 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2pth h GLN 158 Cb 1.12 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 29.41 2pth h GLN 158 CO 0.11 0.67 0.47 -0.22 -2.65 0.00 0.00 178.83 177.21 2pth h LYS 159 N 1.04 0.93 -0.46 1.69 3.11 -1.18 -0.26 116.57 121.44 2pth h LYS 159 Ca 0.32 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 58.06 2pth h LYS 159 Cb -0.02 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 30.98 2pth h LYS 159 CO -0.10 0.61 0.10 -0.07 -2.81 0.00 0.00 179.45 177.18 2pth h LEU 160 N 0.95 0.71 -0.65 5.20 3.38 -1.25 -2.09 115.31 121.56 2pth h LEU 160 Ca 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2pth h LEU 160 Cb -0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2pth h LEU 160 CO -0.07 0.77 0.28 0.40 0.09 0.00 0.00 178.44 179.91 2pth h ILE 161 N 0.61 1.23 -0.93 1.22 2.04 -0.87 -2.27 117.51 118.54 2pth h ILE 161 Ca 0.14 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.32 2pth h ILE 161 Cb 0.35 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2pth h ILE 161 CO 0.00 0.28 0.62 0.44 0.00 0.00 0.00 178.15 179.49 2pth h ASP 162 N 0.90 1.05 -0.24 1.72 3.32 -0.88 -0.59 116.42 121.70 2pth h ASP 162 Ca 0.22 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2pth h ASP 162 Cb 0.17 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pth h ASP 162 CO -0.02 0.75 0.10 -0.33 -1.72 0.00 0.00 179.24 178.01 2pth h GLU 163 N 1.23 0.36 -0.80 3.56 5.08 -1.03 -1.46 114.58 121.53 2pth h GLU 163 Ca 0.35 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2pth h GLU 163 Cb -0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2pth h GLU 163 CO -0.09 0.41 0.39 0.00 -1.00 0.00 0.00 179.01 178.72 2pth h ALA 164 N 0.94 1.03 -0.64 3.43 0.00 -0.92 -1.67 119.26 121.42 2pth h ALA 164 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2pth h ALA 164 Cb 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2pth h ALA 164 CO -0.01 0.59 0.21 0.82 0.00 0.00 0.00 179.25 180.86 2pth h ILE 165 N 1.13 1.25 -0.21 0.00 2.04 -0.97 0.11 117.51 120.85 2pth h ILE 165 Ca 0.27 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2pth h ILE 165 Cb 0.11 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2pth h ILE 165 CO -0.04 0.32 0.12 -0.78 0.00 0.00 0.00 178.15 177.78 2pth h ASP 166 N 0.93 0.26 -0.52 1.72 3.58 -1.03 -0.63 116.42 120.72 2pth h ASP 166 Ca 0.21 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2pth h ASP 166 Cb 0.29 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2pth h ASP 166 CO -0.01 0.24 0.21 -0.08 -2.88 0.00 0.00 179.24 176.72 2pth h GLU 167 N 0.25 0.78 -0.99 0.28 4.57 -1.05 -2.50 114.58 115.93 2pth h GLU 167 Ca 0.08 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2pth h GLU 167 Cb 0.04 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.44 2pth h GLU 167 CO -0.01 0.69 0.64 0.00 -1.18 0.00 0.00 179.01 179.15 2pth h ALA 168 N 1.05 1.38 -0.55 2.92 0.00 -0.53 -0.78 119.26 122.74 2pth h ALA 168 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2pth h ALA 168 Cb 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2pth h ALA 168 CO -0.01 0.51 0.23 0.00 0.00 0.00 0.00 179.25 179.98 2pth h ALA 169 N 1.44 0.72 -0.66 0.00 0.00 -0.73 -0.15 119.26 119.88 2pth h ALA 169 Ca 0.40 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2pth h ALA 169 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2pth h ALA 169 CO -0.13 0.32 0.10 0.00 0.00 0.00 0.00 179.25 179.53 2pth h ARG 170 N 0.75 1.09 -0.08 0.00 3.08 -0.98 -2.33 114.38 115.92 2pth h ARG 170 Ca 0.19 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2pth h ARG 170 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2pth h ARG 170 CO -0.02 1.01 -0.43 0.00 -1.07 0.00 0.00 179.97 179.46 2pth h THR 172 N 0.14 1.27 -0.62 0.00 2.02 -0.80 -0.63 112.91 114.29 2pth h THR 172 Ca 0.01 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 65.84 2pth h THR 172 Cb 0.83 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2pth h THR 172 CO 0.06 0.44 0.03 -0.08 0.37 0.00 0.00 175.52 176.34 2pth h GLU 173 N 0.83 1.07 -0.48 6.66 4.81 -1.12 -2.38 114.58 123.96 2pth h GLU 173 Ca 0.13 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2pth h GLU 173 Cb 0.67 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2pth h GLU 173 CO 0.05 1.02 0.21 1.98 -0.73 0.00 0.00 179.01 181.54 2pth h MET 174 N 0.98 0.68 -0.74 1.92 4.05 -0.83 -2.03 114.93 118.96 2pth h MET 174 Ca 0.18 -0.09 0.10 0.00 -0.28 0.00 0.00 59.70 59.61 2pth h MET 174 Cb 0.53 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.12 2pth h MET 174 CO 0.03 0.55 0.38 2.35 0.23 0.00 0.00 176.91 180.44 2pth h TRP 175 N 0.68 0.68 -0.43 1.39 2.91 -0.58 0.37 115.95 120.97 2pth h TRP 175 Ca 0.17 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.13 2pth h TRP 175 Cb 0.11 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 2pth h TRP 175 CO 0.01 0.24 -0.08 0.74 -1.03 0.00 0.00 178.44 178.32 2pth h PHE 176 N 0.63 0.90 0.17 2.65 0.04 -1.32 -0.23 116.94 119.78 2pth h PHE 176 Ca 0.37 -0.18 -0.33 0.00 2.80 0.00 0.00 57.97 60.62 2pth h PHE 176 Cb 0.39 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.32 2pth h PHE 176 CO -0.10 0.91 -1.63 1.79 -0.60 0.00 0.00 178.31 178.68 2pth h THR 177 N 0.63 0.99 0.00 -1.55 1.35 -1.33 -3.41 112.91 109.58 2pth h THR 177 Ca 0.11 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 2pth h THR 177 Cb 0.60 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2pth h THR 177 CO 0.04 0.81 -0.56 0.47 -0.25 0.00 0.00 175.52 176.03 2pth n ASP 178 N -3.70 0.59 0.00 5.36 9.92 0.13 -5.11 116.55 123.73 2pth n ASP 178 Ca -0.24 -0.74 0.00 0.00 -0.53 0.00 0.00 54.79 53.28 2pth n ASP 178 Cb 1.02 1.02 0.00 0.00 -0.64 0.00 0.00 41.12 42.52 2pth n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pth n GLY 179 N 1.28 2.43 0.27 0.44 0.00 -0.10 -4.63 105.19 104.90 2pth n GLY 179 Ca 0.02 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.10 2pth n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pth h LEU 180 N 0.00 0.83 -0.19 0.99 5.85 -1.89 -2.51 115.31 118.40 2pth h LEU 180 Ca 0.00 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2pth h LEU 180 Cb 0.00 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2pth h LEU 180 CO 0.00 0.72 -0.09 0.74 -0.34 0.00 0.00 178.44 179.46 2pth h THR 181 N 0.89 0.71 -0.49 1.05 2.02 -1.96 0.17 112.91 115.30 2pth h THR 181 Ca 0.22 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.34 2pth h THR 181 Cb 0.09 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2pth h THR 181 CO -0.03 0.00 0.05 0.11 0.37 0.00 0.00 175.52 176.02 2pth h LYS 182 N -0.07 0.84 -0.74 6.66 1.57 -1.81 -1.53 116.57 121.49 2pth h LYS 182 Ca 0.10 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2pth h LYS 182 Cb 0.23 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2pth h LYS 182 CO -0.24 0.85 0.46 0.00 -0.57 0.00 0.00 179.45 179.95 2pth h ALA 183 N 0.95 0.94 -0.23 3.86 0.00 -1.07 -2.08 119.26 121.64 2pth h ALA 183 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pth h ALA 183 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pth h ALA 183 CO 0.02 0.40 0.02 1.15 0.00 0.00 0.00 179.25 180.83 2pth h THR 184 N 1.01 1.24 -0.99 0.00 2.02 -0.52 -1.82 112.91 113.84 2pth h THR 184 Ca 0.27 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.68 2pth h THR 184 Cb -0.06 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 2pth h THR 184 CO -0.05 0.26 0.64 0.78 0.37 0.00 0.00 175.52 177.52 2pth h ASN 185 N 0.19 1.04 -0.05 4.18 -0.26 -1.11 0.23 115.58 119.79 2pth h ASN 185 Ca 0.07 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 2pth h ASN 185 Cb 0.37 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2pth h ASN 185 CO 0.01 0.67 -0.07 -0.09 -1.06 0.00 0.00 177.43 176.89 2pth h ARG 186 N 1.18 0.14 -0.44 0.81 2.43 -1.26 -3.02 114.38 114.21 2pth h ARG 186 Ca 0.42 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2pth h ARG 186 Cb 0.13 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2pth h ARG 186 CO -0.16 0.61 0.23 1.25 -1.51 0.00 0.00 179.97 180.39 2pth h LEU 187 N -0.33 0.56 -0.39 3.80 5.85 -0.99 -2.41 115.31 121.40 2pth h LEU 187 Ca 0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2pth h LEU 187 Cb 0.60 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2pth h LEU 187 CO 0.02 0.50 0.00 1.41 -0.34 0.00 0.00 178.44 180.03 2pth n HIS 188 N -4.68 0.44 0.60 1.25 8.25 0.04 -1.87 115.22 119.25 2pth n HIS 188 Ca 0.01 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 2pth n HIS 188 Cb 0.09 -0.78 0.19 0.00 1.12 0.00 0.00 29.99 30.61 2pth n HIS 188 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pth n ALA 189 N -1.65 2.93 -1.98 -1.41 0.00 -0.92 -4.56 120.51 112.92 2pth n ALA 189 Ca 0.03 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2pth n ALA 189 Cb 0.20 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2pth n ALA 189 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pth s PHE 190 N -3.15 1.92 0.00 0.00 5.36 -0.78 -1.79 117.98 119.53 2pth s PHE 190 Ca 0.07 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2pth s PHE 190 Cb 0.14 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 2pth s PHE 190 CO 0.71 -3.93 0.00 1.63 -1.46 0.00 0.00 175.22 172.18 2pth n LYS 191 N 7.22 0.00 0.04 10.12 4.76 -1.26 -4.80 118.16 134.25 2pth n LYS 191 Ca 0.18 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 2pth n LYS 191 Cb 0.43 -1.75 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 2pth n LYS 191 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pth n ALA 192 N 0.13 3.10 -1.16 7.82 0.00 -0.74 -5.15 120.51 124.51 2pth n ALA 192 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2pth n ALA 192 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2pth n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44